----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:00:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 6.755682570000000 0.000000000000000 c -1.149296253593172 0.000000000000000 6.634075804738396 Atomic positions (fractional): *1 O 0.61666763772325 0.41300864356066 0.14998220623592 15.999 2 O 0.38333236227675 0.91300864356066 0.35001779376408 15.999 3 O 0.38333236227675 0.58699135643934 0.85001779376408 15.999 4 O 0.61666763772325 0.08699135643934 0.64998220623592 15.999 *5 S 0.92366081364821 0.22146886228427 0.46987341101769 32.065 6 S 0.07633918635178 0.72146886228427 0.03012658898231 32.065 7 S 0.07633918635178 0.77853113771573 0.53012658898231 32.065 8 S 0.92366081364821 0.27853113771573 0.96987341101769 32.065 *9 S 0.31787708125513 0.13154729739673 0.92308070157184 32.065 10 S 0.68212291874487 0.63154729739673 0.57691929842816 32.065 11 S 0.68212291874487 0.86845270260327 0.07691929842816 32.065 12 S 0.31787708125513 0.36845270260327 0.42308070157184 32.065 *13 Er 0.86266589723107 0.94634604878720 0.75077515604503 167.259 14 Er 0.13733410276893 0.44634604878720 0.74922484395497 167.259 15 Er 0.13733410276893 0.05365395121280 0.24922484395497 167.259 16 Er 0.86266589723107 0.55365395121280 0.25077515604503 167.259 *17 Er 0.42467746375260 0.85497227033016 0.67770087936037 167.259 18 Er 0.57532253624740 0.35497227033016 0.82229912063963 167.259 19 Er 0.57532253624740 0.14502772966983 0.32229912063964 167.259 20 Er 0.42467746375260 0.64502772966984 0.17770087936036 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 6.755682570000000 0.000000000000000 c -1.149296253593172 0.000000000000000 6.634075804738396 Atomic positions (fractional): *1 O 0.61666763772325 0.41300864356066 0.14998220623592 15.999 > 1 2 O 0.38333236227675 0.91300864356066 0.35001779376408 15.999 > 2 3 O 0.38333236227675 0.58699135643934 0.85001779376408 15.999 > 3 4 O 0.61666763772325 0.08699135643934 0.64998220623592 15.999 > 4 *5 S 0.92366081364821 0.22146886228427 0.46987341101769 32.065 > 5 6 S 0.07633918635178 0.72146886228427 0.03012658898231 32.065 > 6 7 S 0.07633918635178 0.77853113771573 0.53012658898231 32.065 > 7 8 S 0.92366081364821 0.27853113771573 0.96987341101769 32.065 > 8 *9 S 0.31787708125513 0.13154729739673 0.92308070157184 32.065 > 9 10 S 0.68212291874487 0.63154729739673 0.57691929842816 32.065 > 10 11 S 0.68212291874487 0.86845270260327 0.07691929842816 32.065 > 11 12 S 0.31787708125513 0.36845270260327 0.42308070157184 32.065 > 12 *13 Er 0.86266589723107 0.94634604878720 0.75077515604503 167.259 > 13 14 Er 0.13733410276893 0.44634604878720 0.74922484395497 167.259 > 14 15 Er 0.13733410276893 0.05365395121280 0.24922484395497 167.259 > 15 16 Er 0.86266589723107 0.55365395121280 0.25077515604503 167.259 > 16 *17 Er 0.42467746375260 0.85497227033016 0.67770087936037 167.259 > 17 18 Er 0.57532253624740 0.35497227033016 0.82229912063963 167.259 > 18 19 Er 0.57532253624740 0.14502772966983 0.32229912063964 167.259 > 19 20 Er 0.42467746375260 0.64502772966984 0.17770087936036 167.259 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511365140000001 0.000000000000000 c -2.298592507186344 0.000000000000000 13.268151609476792 Atomic positions (fractional): *1 O 0.61666763772325 0.20650432178033 0.07499110311796 15.999 > 1 2 O 0.61666763772325 0.70650432178033 0.07499110311796 15.999 > 1 3 O 0.61666763772325 0.20650432178033 0.57499110311796 15.999 > 1 4 O 0.61666763772325 0.70650432178033 0.57499110311796 15.999 > 1 5 O 0.38333236227675 0.45650432178033 0.17500889688204 15.999 > 2 6 O 0.38333236227675 0.95650432178033 0.17500889688204 15.999 > 2 7 O 0.38333236227675 0.45650432178033 0.67500889688204 15.999 > 2 8 O 0.38333236227675 0.95650432178033 0.67500889688204 15.999 > 2 9 O 0.38333236227675 0.29349567821967 0.42500889688204 15.999 > 3 10 O 0.38333236227675 0.79349567821967 0.42500889688204 15.999 > 3 11 O 0.38333236227675 0.29349567821967 0.92500889688204 15.999 > 3 12 O 0.38333236227675 0.79349567821967 0.92500889688204 15.999 > 3 13 O 0.61666763772325 0.04349567821967 0.32499110311796 15.999 > 4 14 O 0.61666763772325 0.54349567821967 0.32499110311796 15.999 > 4 15 O 0.61666763772325 0.04349567821967 0.82499110311796 15.999 > 4 16 O 0.61666763772325 0.54349567821967 0.82499110311796 15.999 > 4 *17 S 0.92366081364821 0.11073443114213 0.23493670550884 32.065 > 5 18 S 0.92366081364821 0.61073443114213 0.23493670550884 32.065 > 5 19 S 0.92366081364821 0.11073443114213 0.73493670550884 32.065 > 5 20 S 0.92366081364821 0.61073443114213 0.73493670550884 32.065 > 5 21 S 0.07633918635178 0.36073443114213 0.01506329449116 32.065 > 6 22 S 0.07633918635178 0.86073443114213 0.01506329449116 32.065 > 6 23 S 0.07633918635178 0.36073443114213 0.51506329449116 32.065 > 6 24 S 0.07633918635178 0.86073443114213 0.51506329449116 32.065 > 6 25 S 0.07633918635178 0.38926556885787 0.26506329449116 32.065 > 7 26 S 0.07633918635178 0.88926556885787 0.26506329449116 32.065 > 7 27 S 0.07633918635178 0.38926556885787 0.76506329449116 32.065 > 7 28 S 0.07633918635178 0.88926556885787 0.76506329449116 32.065 > 7 29 S 0.92366081364821 0.13926556885787 0.48493670550884 32.065 > 8 30 S 0.92366081364821 0.63926556885787 0.48493670550884 32.065 > 8 31 S 0.92366081364821 0.13926556885787 0.98493670550884 32.065 > 8 32 S 0.92366081364821 0.63926556885787 0.98493670550884 32.065 > 8 *33 S 0.31787708125513 0.06577364869836 0.46154035078592 32.065 > 9 34 S 0.31787708125513 0.56577364869836 0.46154035078592 32.065 > 9 35 S 0.31787708125513 0.06577364869836 0.96154035078592 32.065 > 9 36 S 0.31787708125513 0.56577364869836 0.96154035078592 32.065 > 9 37 S 0.68212291874487 0.31577364869836 0.28845964921408 32.065 > 10 38 S 0.68212291874487 0.81577364869836 0.28845964921408 32.065 > 10 39 S 0.68212291874487 0.31577364869836 0.78845964921408 32.065 > 10 40 S 0.68212291874487 0.81577364869836 0.78845964921408 32.065 > 10 41 S 0.68212291874487 0.43422635130164 0.03845964921408 32.065 > 11 42 S 0.68212291874487 0.93422635130164 0.03845964921408 32.065 > 11 43 S 0.68212291874487 0.43422635130164 0.53845964921408 32.065 > 11 44 S 0.68212291874487 0.93422635130164 0.53845964921408 32.065 > 11 45 S 0.31787708125513 0.18422635130164 0.21154035078592 32.065 > 12 46 S 0.31787708125513 0.68422635130164 0.21154035078592 32.065 > 12 47 S 0.31787708125513 0.18422635130164 0.71154035078592 32.065 > 12 48 S 0.31787708125513 0.68422635130164 0.71154035078592 32.065 > 12 *49 Er 0.86266589723107 0.47317302439360 0.37538757802252 167.259 > 13 50 Er 0.86266589723107 0.97317302439360 0.37538757802252 167.259 > 13 51 Er 0.86266589723107 0.47317302439360 0.87538757802252 167.259 > 13 52 Er 0.86266589723107 0.97317302439360 0.87538757802252 167.259 > 13 53 Er 0.13733410276893 0.22317302439360 0.37461242197748 167.259 > 14 54 Er 0.13733410276893 0.72317302439360 0.37461242197748 167.259 > 14 55 Er 0.13733410276893 0.22317302439360 0.87461242197748 167.259 > 14 56 Er 0.13733410276893 0.72317302439360 0.87461242197748 167.259 > 14 57 Er 0.13733410276893 0.02682697560640 0.12461242197748 167.259 > 15 58 Er 0.13733410276893 0.52682697560640 0.12461242197748 167.259 > 15 59 Er 0.13733410276893 0.02682697560640 0.62461242197748 167.259 > 15 60 Er 0.13733410276893 0.52682697560640 0.62461242197748 167.259 > 15 61 Er 0.86266589723107 0.27682697560640 0.12538757802252 167.259 > 16 62 Er 0.86266589723107 0.77682697560640 0.12538757802252 167.259 > 16 63 Er 0.86266589723107 0.27682697560640 0.62538757802252 167.259 > 16 64 Er 0.86266589723107 0.77682697560640 0.62538757802252 167.259 > 16 *65 Er 0.42467746375260 0.42748613516508 0.33885043968018 167.259 > 17 66 Er 0.42467746375260 0.92748613516508 0.33885043968018 167.259 > 17 67 Er 0.42467746375260 0.42748613516508 0.83885043968018 167.259 > 17 68 Er 0.42467746375260 0.92748613516508 0.83885043968018 167.259 > 17 69 Er 0.57532253624740 0.17748613516508 0.41114956031982 167.259 > 18 70 Er 0.57532253624740 0.67748613516508 0.41114956031982 167.259 > 18 71 Er 0.57532253624740 0.17748613516508 0.91114956031982 167.259 > 18 72 Er 0.57532253624740 0.67748613516508 0.91114956031982 167.259 > 18 73 Er 0.57532253624740 0.07251386483492 0.16114956031982 167.259 > 19 74 Er 0.57532253624740 0.57251386483492 0.16114956031982 167.259 > 19 75 Er 0.57532253624740 0.07251386483492 0.66114956031982 167.259 > 19 76 Er 0.57532253624740 0.57251386483492 0.66114956031982 167.259 > 19 77 Er 0.42467746375260 0.32251386483492 0.08885043968018 167.259 > 20 78 Er 0.42467746375260 0.82251386483492 0.08885043968018 167.259 > 20 79 Er 0.42467746375260 0.32251386483492 0.58885043968018 167.259 > 20 80 Er 0.42467746375260 0.82251386483492 0.58885043968018 167.259 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5592985 0.0000000 -0.2731384 0.0000000 6.7353881 0.0000000 -0.2731371 0.0000000 6.5908103 -------------------------- Born effective charges -------------------------- 1 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 2 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 3 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 4 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 5 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 6 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 7 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 8 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 9 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 10 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 11 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 12 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 13 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 14 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 15 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 16 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 17 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 18 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 19 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 20 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 ---------------------------------------------------------------------------- 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, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.299 Solver_block: 200 / 640 - Time: 0.269 Solver_block: 300 / 640 - Time: 0.265 Solver_block: 400 / 640 - Time: 0.265 Solver_block: 500 / 640 - Time: 0.264 Solver_block: 600 / 640 - Time: 0.263 Solver_block: 640 / 640 - Time: 0.131 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.796 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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, 390), data: True |-- (400, 390), data: True |-- (400, 391), 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 2026-01-07 23:01:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:06]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 6.755682570000000 0.000000000000000 c -1.149296253593172 0.000000000000000 6.634075804738396 Atomic positions (fractional): 1 O 0.61666763772325 0.41300864356066 0.14998220623592 15.999 2 O 0.38333236227675 0.91300864356066 0.35001779376408 15.999 3 O 0.38333236227675 0.58699135643934 0.85001779376408 15.999 4 O 0.61666763772325 0.08699135643934 0.64998220623592 15.999 5 S 0.92366081364821 0.22146886228427 0.46987341101769 32.065 6 S 0.07633918635178 0.72146886228427 0.03012658898231 32.065 7 S 0.07633918635178 0.77853113771573 0.53012658898231 32.065 8 S 0.92366081364821 0.27853113771573 0.96987341101769 32.065 9 S 0.31787708125513 0.13154729739673 0.92308070157184 32.065 10 S 0.68212291874487 0.63154729739673 0.57691929842816 32.065 11 S 0.68212291874487 0.86845270260327 0.07691929842816 32.065 12 S 0.31787708125513 0.36845270260327 0.42308070157184 32.065 13 Er 0.86266589723107 0.94634604878720 0.75077515604503 167.259 14 Er 0.13733410276893 0.44634604878720 0.74922484395497 167.259 15 Er 0.13733410276893 0.05365395121280 0.24922484395497 167.259 16 Er 0.86266589723107 0.55365395121280 0.25077515604503 167.259 17 Er 0.42467746375260 0.85497227033016 0.67770087936037 167.259 18 Er 0.57532253624740 0.35497227033016 0.82229912063963 167.259 19 Er 0.57532253624740 0.14502772966983 0.32229912063964 167.259 20 Er 0.42467746375260 0.64502772966984 0.17770087936036 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511365140000001 0.000000000000000 c -2.298592507186344 0.000000000000000 13.268151609476792 Atomic positions (fractional): 1 O 0.61666763772325 0.20650432178033 0.07499110311796 15.999 > 1 2 O 0.61666763772325 0.70650432178033 0.07499110311796 15.999 > 1 3 O 0.61666763772325 0.20650432178033 0.57499110311796 15.999 > 1 4 O 0.61666763772325 0.70650432178033 0.57499110311796 15.999 > 1 5 O 0.38333236227675 0.45650432178033 0.17500889688204 15.999 > 5 6 O 0.38333236227675 0.95650432178033 0.17500889688204 15.999 > 5 7 O 0.38333236227675 0.45650432178033 0.67500889688204 15.999 > 5 8 O 0.38333236227675 0.95650432178033 0.67500889688204 15.999 > 5 9 O 0.38333236227675 0.29349567821967 0.42500889688204 15.999 > 9 10 O 0.38333236227675 0.79349567821967 0.42500889688204 15.999 > 9 11 O 0.38333236227675 0.29349567821967 0.92500889688204 15.999 > 9 12 O 0.38333236227675 0.79349567821967 0.92500889688204 15.999 > 9 13 O 0.61666763772325 0.04349567821967 0.32499110311796 15.999 > 13 14 O 0.61666763772325 0.54349567821967 0.32499110311796 15.999 > 13 15 O 0.61666763772325 0.04349567821967 0.82499110311796 15.999 > 13 16 O 0.61666763772325 0.54349567821967 0.82499110311796 15.999 > 13 17 S 0.92366081364821 0.11073443114213 0.23493670550884 32.065 > 17 18 S 0.92366081364821 0.61073443114213 0.23493670550884 32.065 > 17 19 S 0.92366081364821 0.11073443114213 0.73493670550884 32.065 > 17 20 S 0.92366081364821 0.61073443114213 0.73493670550884 32.065 > 17 21 S 0.07633918635178 0.36073443114213 0.01506329449116 32.065 > 21 22 S 0.07633918635178 0.86073443114213 0.01506329449116 32.065 > 21 23 S 0.07633918635178 0.36073443114213 0.51506329449116 32.065 > 21 24 S 0.07633918635178 0.86073443114213 0.51506329449116 32.065 > 21 25 S 0.07633918635178 0.38926556885787 0.26506329449116 32.065 > 25 26 S 0.07633918635178 0.88926556885787 0.26506329449116 32.065 > 25 27 S 0.07633918635178 0.38926556885787 0.76506329449116 32.065 > 25 28 S 0.07633918635178 0.88926556885787 0.76506329449116 32.065 > 25 29 S 0.92366081364821 0.13926556885787 0.48493670550884 32.065 > 29 30 S 0.92366081364821 0.63926556885787 0.48493670550884 32.065 > 29 31 S 0.92366081364821 0.13926556885787 0.98493670550884 32.065 > 29 32 S 0.92366081364821 0.63926556885787 0.98493670550884 32.065 > 29 33 S 0.31787708125513 0.06577364869836 0.46154035078592 32.065 > 33 34 S 0.31787708125513 0.56577364869836 0.46154035078592 32.065 > 33 35 S 0.31787708125513 0.06577364869836 0.96154035078592 32.065 > 33 36 S 0.31787708125513 0.56577364869836 0.96154035078592 32.065 > 33 37 S 0.68212291874487 0.31577364869836 0.28845964921408 32.065 > 37 38 S 0.68212291874487 0.81577364869836 0.28845964921408 32.065 > 37 39 S 0.68212291874487 0.31577364869836 0.78845964921408 32.065 > 37 40 S 0.68212291874487 0.81577364869836 0.78845964921408 32.065 > 37 41 S 0.68212291874487 0.43422635130164 0.03845964921408 32.065 > 41 42 S 0.68212291874487 0.93422635130164 0.03845964921408 32.065 > 41 43 S 0.68212291874487 0.43422635130164 0.53845964921408 32.065 > 41 44 S 0.68212291874487 0.93422635130164 0.53845964921408 32.065 > 41 45 S 0.31787708125513 0.18422635130164 0.21154035078592 32.065 > 45 46 S 0.31787708125513 0.68422635130164 0.21154035078592 32.065 > 45 47 S 0.31787708125513 0.18422635130164 0.71154035078592 32.065 > 45 48 S 0.31787708125513 0.68422635130164 0.71154035078592 32.065 > 45 49 Er 0.86266589723107 0.47317302439360 0.37538757802252 167.259 > 49 50 Er 0.86266589723107 0.97317302439360 0.37538757802252 167.259 > 49 51 Er 0.86266589723107 0.47317302439360 0.87538757802252 167.259 > 49 52 Er 0.86266589723107 0.97317302439360 0.87538757802252 167.259 > 49 53 Er 0.13733410276893 0.22317302439360 0.37461242197748 167.259 > 53 54 Er 0.13733410276893 0.72317302439360 0.37461242197748 167.259 > 53 55 Er 0.13733410276893 0.22317302439360 0.87461242197748 167.259 > 53 56 Er 0.13733410276893 0.72317302439360 0.87461242197748 167.259 > 53 57 Er 0.13733410276893 0.02682697560640 0.12461242197748 167.259 > 57 58 Er 0.13733410276893 0.52682697560640 0.12461242197748 167.259 > 57 59 Er 0.13733410276893 0.02682697560640 0.62461242197748 167.259 > 57 60 Er 0.13733410276893 0.52682697560640 0.62461242197748 167.259 > 57 61 Er 0.86266589723107 0.27682697560640 0.12538757802252 167.259 > 61 62 Er 0.86266589723107 0.77682697560640 0.12538757802252 167.259 > 61 63 Er 0.86266589723107 0.27682697560640 0.62538757802252 167.259 > 61 64 Er 0.86266589723107 0.77682697560640 0.62538757802252 167.259 > 61 65 Er 0.42467746375260 0.42748613516508 0.33885043968018 167.259 > 65 66 Er 0.42467746375260 0.92748613516508 0.33885043968018 167.259 > 65 67 Er 0.42467746375260 0.42748613516508 0.83885043968018 167.259 > 65 68 Er 0.42467746375260 0.92748613516508 0.83885043968018 167.259 > 65 69 Er 0.57532253624740 0.17748613516508 0.41114956031982 167.259 > 69 70 Er 0.57532253624740 0.67748613516508 0.41114956031982 167.259 > 69 71 Er 0.57532253624740 0.17748613516508 0.91114956031982 167.259 > 69 72 Er 0.57532253624740 0.67748613516508 0.91114956031982 167.259 > 69 73 Er 0.57532253624740 0.07251386483492 0.16114956031982 167.259 > 73 74 Er 0.57532253624740 0.57251386483492 0.16114956031982 167.259 > 73 75 Er 0.57532253624740 0.07251386483492 0.66114956031982 167.259 > 73 76 Er 0.57532253624740 0.57251386483492 0.66114956031982 167.259 > 73 77 Er 0.42467746375260 0.32251386483492 0.08885043968018 167.259 > 77 78 Er 0.42467746375260 0.82251386483492 0.08885043968018 167.259 > 77 79 Er 0.42467746375260 0.32251386483492 0.58885043968018 167.259 > 77 80 Er 0.42467746375260 0.82251386483492 0.58885043968018 167.259 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5592985 0.0000000 -0.2731384 0.0000000 6.7353881 0.0000000 -0.2731371 0.0000000 6.5908103 -------------------------- Born effective charges -------------------------- 1 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 2 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 3 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 4 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 5 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 6 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 7 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 8 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 9 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 10 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 11 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 12 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 13 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 14 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 15 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 16 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 17 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 18 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 19 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 20 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 ---------------------------------------------------------------------------- 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:01:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:17]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 6.755682570000000 0.000000000000000 c -1.149296253593172 0.000000000000000 6.634075804738396 Atomic positions (fractional): 1 O 0.61666763772325 0.41300864356066 0.14998220623592 15.999 2 O 0.38333236227675 0.91300864356066 0.35001779376408 15.999 3 O 0.38333236227675 0.58699135643934 0.85001779376408 15.999 4 O 0.61666763772325 0.08699135643934 0.64998220623592 15.999 5 S 0.92366081364821 0.22146886228427 0.46987341101769 32.065 6 S 0.07633918635178 0.72146886228427 0.03012658898231 32.065 7 S 0.07633918635178 0.77853113771573 0.53012658898231 32.065 8 S 0.92366081364821 0.27853113771573 0.96987341101769 32.065 9 S 0.31787708125513 0.13154729739673 0.92308070157184 32.065 10 S 0.68212291874487 0.63154729739673 0.57691929842816 32.065 11 S 0.68212291874487 0.86845270260327 0.07691929842816 32.065 12 S 0.31787708125513 0.36845270260327 0.42308070157184 32.065 13 Er 0.86266589723107 0.94634604878720 0.75077515604503 167.259 14 Er 0.13733410276893 0.44634604878720 0.74922484395497 167.259 15 Er 0.13733410276893 0.05365395121280 0.24922484395497 167.259 16 Er 0.86266589723107 0.55365395121280 0.25077515604503 167.259 17 Er 0.42467746375260 0.85497227033016 0.67770087936037 167.259 18 Er 0.57532253624740 0.35497227033016 0.82229912063963 167.259 19 Er 0.57532253624740 0.14502772966983 0.32229912063964 167.259 20 Er 0.42467746375260 0.64502772966984 0.17770087936036 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.085136980075150 0.000000000000000 0.000000000000000 b 0.000000000000000 13.511365140000001 0.000000000000000 c -2.298592507186344 0.000000000000000 13.268151609476792 Atomic positions (fractional): 1 O 0.61666763772325 0.20650432178033 0.07499110311796 15.999 > 1 2 O 0.61666763772325 0.70650432178033 0.07499110311796 15.999 > 1 3 O 0.61666763772325 0.20650432178033 0.57499110311796 15.999 > 1 4 O 0.61666763772325 0.70650432178033 0.57499110311796 15.999 > 1 5 O 0.38333236227675 0.45650432178033 0.17500889688204 15.999 > 5 6 O 0.38333236227675 0.95650432178033 0.17500889688204 15.999 > 5 7 O 0.38333236227675 0.45650432178033 0.67500889688204 15.999 > 5 8 O 0.38333236227675 0.95650432178033 0.67500889688204 15.999 > 5 9 O 0.38333236227675 0.29349567821967 0.42500889688204 15.999 > 9 10 O 0.38333236227675 0.79349567821967 0.42500889688204 15.999 > 9 11 O 0.38333236227675 0.29349567821967 0.92500889688204 15.999 > 9 12 O 0.38333236227675 0.79349567821967 0.92500889688204 15.999 > 9 13 O 0.61666763772325 0.04349567821967 0.32499110311796 15.999 > 13 14 O 0.61666763772325 0.54349567821967 0.32499110311796 15.999 > 13 15 O 0.61666763772325 0.04349567821967 0.82499110311796 15.999 > 13 16 O 0.61666763772325 0.54349567821967 0.82499110311796 15.999 > 13 17 S 0.92366081364821 0.11073443114213 0.23493670550884 32.065 > 17 18 S 0.92366081364821 0.61073443114213 0.23493670550884 32.065 > 17 19 S 0.92366081364821 0.11073443114213 0.73493670550884 32.065 > 17 20 S 0.92366081364821 0.61073443114213 0.73493670550884 32.065 > 17 21 S 0.07633918635178 0.36073443114213 0.01506329449116 32.065 > 21 22 S 0.07633918635178 0.86073443114213 0.01506329449116 32.065 > 21 23 S 0.07633918635178 0.36073443114213 0.51506329449116 32.065 > 21 24 S 0.07633918635178 0.86073443114213 0.51506329449116 32.065 > 21 25 S 0.07633918635178 0.38926556885787 0.26506329449116 32.065 > 25 26 S 0.07633918635178 0.88926556885787 0.26506329449116 32.065 > 25 27 S 0.07633918635178 0.38926556885787 0.76506329449116 32.065 > 25 28 S 0.07633918635178 0.88926556885787 0.76506329449116 32.065 > 25 29 S 0.92366081364821 0.13926556885787 0.48493670550884 32.065 > 29 30 S 0.92366081364821 0.63926556885787 0.48493670550884 32.065 > 29 31 S 0.92366081364821 0.13926556885787 0.98493670550884 32.065 > 29 32 S 0.92366081364821 0.63926556885787 0.98493670550884 32.065 > 29 33 S 0.31787708125513 0.06577364869836 0.46154035078592 32.065 > 33 34 S 0.31787708125513 0.56577364869836 0.46154035078592 32.065 > 33 35 S 0.31787708125513 0.06577364869836 0.96154035078592 32.065 > 33 36 S 0.31787708125513 0.56577364869836 0.96154035078592 32.065 > 33 37 S 0.68212291874487 0.31577364869836 0.28845964921408 32.065 > 37 38 S 0.68212291874487 0.81577364869836 0.28845964921408 32.065 > 37 39 S 0.68212291874487 0.31577364869836 0.78845964921408 32.065 > 37 40 S 0.68212291874487 0.81577364869836 0.78845964921408 32.065 > 37 41 S 0.68212291874487 0.43422635130164 0.03845964921408 32.065 > 41 42 S 0.68212291874487 0.93422635130164 0.03845964921408 32.065 > 41 43 S 0.68212291874487 0.43422635130164 0.53845964921408 32.065 > 41 44 S 0.68212291874487 0.93422635130164 0.53845964921408 32.065 > 41 45 S 0.31787708125513 0.18422635130164 0.21154035078592 32.065 > 45 46 S 0.31787708125513 0.68422635130164 0.21154035078592 32.065 > 45 47 S 0.31787708125513 0.18422635130164 0.71154035078592 32.065 > 45 48 S 0.31787708125513 0.68422635130164 0.71154035078592 32.065 > 45 49 Er 0.86266589723107 0.47317302439360 0.37538757802252 167.259 > 49 50 Er 0.86266589723107 0.97317302439360 0.37538757802252 167.259 > 49 51 Er 0.86266589723107 0.47317302439360 0.87538757802252 167.259 > 49 52 Er 0.86266589723107 0.97317302439360 0.87538757802252 167.259 > 49 53 Er 0.13733410276893 0.22317302439360 0.37461242197748 167.259 > 53 54 Er 0.13733410276893 0.72317302439360 0.37461242197748 167.259 > 53 55 Er 0.13733410276893 0.22317302439360 0.87461242197748 167.259 > 53 56 Er 0.13733410276893 0.72317302439360 0.87461242197748 167.259 > 53 57 Er 0.13733410276893 0.02682697560640 0.12461242197748 167.259 > 57 58 Er 0.13733410276893 0.52682697560640 0.12461242197748 167.259 > 57 59 Er 0.13733410276893 0.02682697560640 0.62461242197748 167.259 > 57 60 Er 0.13733410276893 0.52682697560640 0.62461242197748 167.259 > 57 61 Er 0.86266589723107 0.27682697560640 0.12538757802252 167.259 > 61 62 Er 0.86266589723107 0.77682697560640 0.12538757802252 167.259 > 61 63 Er 0.86266589723107 0.27682697560640 0.62538757802252 167.259 > 61 64 Er 0.86266589723107 0.77682697560640 0.62538757802252 167.259 > 61 65 Er 0.42467746375260 0.42748613516508 0.33885043968018 167.259 > 65 66 Er 0.42467746375260 0.92748613516508 0.33885043968018 167.259 > 65 67 Er 0.42467746375260 0.42748613516508 0.83885043968018 167.259 > 65 68 Er 0.42467746375260 0.92748613516508 0.83885043968018 167.259 > 65 69 Er 0.57532253624740 0.17748613516508 0.41114956031982 167.259 > 69 70 Er 0.57532253624740 0.67748613516508 0.41114956031982 167.259 > 69 71 Er 0.57532253624740 0.17748613516508 0.91114956031982 167.259 > 69 72 Er 0.57532253624740 0.67748613516508 0.91114956031982 167.259 > 69 73 Er 0.57532253624740 0.07251386483492 0.16114956031982 167.259 > 73 74 Er 0.57532253624740 0.57251386483492 0.16114956031982 167.259 > 73 75 Er 0.57532253624740 0.07251386483492 0.66114956031982 167.259 > 73 76 Er 0.57532253624740 0.57251386483492 0.66114956031982 167.259 > 73 77 Er 0.42467746375260 0.32251386483492 0.08885043968018 167.259 > 77 78 Er 0.42467746375260 0.82251386483492 0.08885043968018 167.259 > 77 79 Er 0.42467746375260 0.32251386483492 0.58885043968018 167.259 > 77 80 Er 0.42467746375260 0.82251386483492 0.58885043968018 167.259 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5592985 0.0000000 -0.2731384 0.0000000 6.7353881 0.0000000 -0.2731371 0.0000000 6.5908103 -------------------------- Born effective charges -------------------------- 1 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 2 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 3 O -3.0151763 -0.1863633 0.1100085 -0.2138105 -2.9660483 -0.1484229 -0.0317563 -0.1202109 -2.7830776 4 O -3.0151763 0.1863633 0.1100085 0.2138105 -2.9660483 0.1484229 -0.0317563 0.1202109 -2.7830776 5 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 6 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 7 S -2.2371236 -0.2503977 -0.1076340 -0.1336671 -2.6416239 0.1549449 -0.0012760 0.3702554 -2.3650539 8 S -2.2371236 0.2503977 -0.1076340 0.1336671 -2.6416239 -0.1549449 -0.0012760 -0.3702554 -2.3650539 9 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 10 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 11 S -2.5420393 0.1748035 0.3973463 0.1748498 -2.4182620 0.1948778 0.2813092 0.1778902 -2.5019289 12 S -2.5420393 -0.1748035 0.3973463 -0.1748498 -2.4182620 -0.1948778 0.2813092 -0.1778902 -2.5019289 13 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 14 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 15 Er 3.7580940 0.0720409 -0.0925733 -0.1363297 4.1305141 0.0191810 -0.1149078 0.1351288 3.6446235 16 Er 3.7580940 -0.0720409 -0.0925733 0.1363297 4.1305141 -0.0191810 -0.1149078 -0.1351288 3.6446235 17 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 18 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 19 Er 4.0362453 0.1712707 -0.3071474 0.1111723 3.8954201 0.0099558 -0.1333691 0.0182693 4.0054369 20 Er 4.0362453 -0.1712707 -0.3071474 -0.1111723 3.8954201 -0.0099558 -0.1333691 -0.0182693 4.0054369 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 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 1.898 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.176 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 16.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 23.766 0.000 -1.615) 23.820 0.549 ( 26.030 0.000 0.872) 26.044 0.822 ( 38.774 0.000 -2.354) 38.845 1.927 ( 1.478 0.000 1.821) 2.345 1.945 ( 1.148 0.000 0.805) 1.402 2.176 ( -14.687 0.000 -0.379) 14.692 2.410 ( 2.663 0.000 0.768) 2.772 2.655 ( -14.984 0.000 2.910) 15.264 2.660 ( 8.154 0.000 1.705) 8.331 2.918 ( 3.208 0.000 2.418) 4.017 2.928 ( -2.509 0.000 -1.025) 2.710 3.047 ( 0.107 0.000 -0.796) 0.803 3.271 ( 2.968 0.000 2.027) 3.594 3.348 ( -14.437 0.000 -1.290) 14.494 3.349 ( -0.081 0.000 -2.005) 2.006 3.520 ( -3.308 0.000 2.632) 4.227 3.887 ( 5.609 0.000 -5.767) 8.044 4.016 ( 14.713 0.000 -3.298) 15.078 4.170 ( -4.732 0.000 -0.311) 4.743 4.266 ( -1.626 0.000 7.158) 7.340 4.458 ( -6.609 0.000 0.577) 6.634 4.760 ( 2.858 0.000 0.772) 2.960 4.916 ( -0.964 0.000 24.804) 24.823 5.144 ( -6.572 0.000 -3.539) 7.465 5.359 ( -1.055 0.000 -0.890) 1.380 5.376 ( -1.705 0.000 -1.617) 2.350 5.750 ( -2.876 0.000 0.335) 2.896 6.027 ( 1.802 0.000 -0.092) 1.804 6.225 ( 0.514 0.000 1.497) 1.582 6.316 ( -0.578 0.000 4.165) 4.205 6.397 ( 3.534 0.000 3.065) 4.678 6.671 ( -3.614 0.000 2.654) 4.484 6.772 ( 0.021 0.000 -1.629) 1.629 6.867 ( -4.381 0.000 -0.040) 4.381 7.089 ( -6.757 0.000 -1.660) 6.958 7.167 ( 9.312 0.000 -6.232) 11.205 7.227 ( -1.140 0.000 -3.498) 3.679 7.412 ( -1.859 0.000 19.087) 19.178 7.416 ( 8.036 0.000 -0.794) 8.076 7.965 ( -0.183 0.000 1.025) 1.041 8.012 ( 4.178 0.000 -22.870) 23.248 8.096 ( 0.920 0.000 -1.857) 2.073 8.491 ( -1.517 0.000 -0.863) 1.745 8.498 ( -1.545 0.000 -0.082) 1.547 8.684 ( 0.176 0.000 0.070) 0.189 8.888 ( 3.050 0.000 -22.172) 22.381 9.217 ( 1.383 0.000 2.050) 2.473 9.377 ( 0.019 0.000 -2.847) 2.847 11.824 ( -0.958 0.000 -0.364) 1.025 11.935 ( -0.745 0.000 0.269) 0.792 12.010 ( 0.799 0.000 -0.177) 0.818 12.247 ( 3.300 0.000 -18.325) 18.619 12.885 ( 0.549 0.000 -0.324) 0.637 12.971 ( -0.337 0.000 1.208) 1.254 13.067 ( 0.290 0.000 -0.494) 0.573 14.056 ( -0.136 0.000 -5.366) 5.368 14.260 ( 1.599 0.000 -0.090) 1.601 14.620 ( 0.671 0.000 -0.505) 0.840 14.924 ( -4.789 0.000 23.580) 24.061 16.036 ( -0.130 0.000 -0.269) 0.299 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 23.058 0.000 -1.640) 23.116 1.066 ( 23.285 0.000 0.485) 23.290 1.539 ( 29.938 0.000 -2.542) 30.046 1.827 ( -18.397 0.000 3.194) 18.672 1.901 ( -6.127 0.000 0.296) 6.134 1.983 ( 1.153 0.000 -1.169) 1.642 2.345 ( -11.440 0.000 2.649) 11.742 2.535 ( 5.961 0.000 1.769) 6.218 2.794 ( 2.846 0.000 1.213) 3.094 2.866 ( -2.229 0.000 -1.074) 2.474 3.007 ( 3.517 0.000 4.197) 5.476 3.058 ( 0.589 0.000 1.954) 2.041 3.061 ( -11.520 0.000 -1.207) 11.583 3.236 ( -3.827 0.000 -4.040) 5.564 3.354 ( -0.518 0.000 -0.345) 0.622 3.444 ( -4.802 0.000 3.073) 5.701 4.020 ( 8.959 0.000 -8.021) 12.025 4.042 ( -3.462 0.000 -4.594) 5.752 4.216 ( -0.748 0.000 3.700) 3.775 4.318 ( -7.401 0.000 3.995) 8.410 4.364 ( 12.404 0.000 2.253) 12.607 4.796 ( 0.436 0.000 0.171) 0.468 4.882 ( -9.801 0.000 3.181) 10.304 5.069 ( 1.747 0.000 4.762) 5.072 5.315 ( -2.344 0.000 -2.806) 3.656 5.347 ( -0.193 0.000 -1.793) 1.804 5.680 ( -3.467 0.000 0.637) 3.525 6.068 ( 1.881 0.000 -0.048) 1.882 6.251 ( 0.961 0.000 2.087) 2.298 6.319 ( -0.085 0.000 1.110) 1.113 6.483 ( 3.323 0.000 3.273) 4.665 6.618 ( -2.014 0.000 1.208) 2.348 6.743 ( -2.120 0.000 -0.853) 2.285 6.800 ( -2.204 0.000 0.273) 2.220 6.967 ( -4.070 0.000 -1.925) 4.502 7.188 ( -1.125 0.000 -3.252) 3.441 7.313 ( 5.262 0.000 -0.766) 5.318 7.448 ( 1.217 0.000 4.011) 4.191 7.566 ( 6.342 0.000 -1.055) 6.429 7.958 ( -0.892 0.000 1.020) 1.355 8.025 ( 1.341 0.000 -1.943) 2.361 8.110 ( 0.901 0.000 -1.441) 1.700 8.446 ( -2.138 0.000 -1.573) 2.654 8.459 ( -1.835 0.000 -0.136) 1.840 8.689 ( 0.167 0.000 0.226) 0.281 8.870 ( 0.620 0.000 -8.351) 8.374 9.251 ( 0.853 0.000 2.171) 2.333 9.371 ( 0.525 0.000 -3.083) 3.127 11.804 ( -0.662 0.000 -0.247) 0.706 11.917 ( -0.934 0.000 0.192) 0.953 12.028 ( 0.816 0.000 -0.170) 0.834 12.250 ( 1.148 0.000 -5.949) 6.059 12.896 ( 0.558 0.000 -0.335) 0.650 12.969 ( -0.263 0.000 1.064) 1.096 13.070 ( 0.149 0.000 -0.395) 0.422 14.032 ( -0.743 0.000 -1.905) 2.045 14.296 ( 1.592 0.000 -0.067) 1.594 14.634 ( 0.747 0.000 -0.650) 0.990 14.907 ( -2.228 0.000 8.443) 8.732 16.032 ( -0.136 0.000 -0.273) 0.304 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 0.000 -0.000) 0.000 1.414 ( -0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 -0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 -0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 -0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.069 ( -0.000 0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.158 ( -0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 -0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.600 ( -0.000 0.000 -0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 -0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 -0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 -0.000) 0.000 7.473 ( -0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 -0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 -0.000) 0.000 9.264 ( 0.000 0.000 -0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 -0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.902 ( 0.000 0.000 0.000) 0.000 12.968 ( 0.000 0.000 -0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 -0.000) 0.000 14.314 ( 0.000 0.000 -0.000) 0.000 14.641 ( 0.000 0.000 0.000) 0.000 14.898 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 26.202 0.000) 26.202 0.589 ( 0.000 27.070 0.000) 27.070 0.991 ( 0.000 45.583 0.000) 45.583 1.947 ( 0.000 3.004 0.000) 3.004 2.055 ( 0.000 10.743 0.000) 10.743 2.388 ( 0.000 0.308 0.000) 0.308 2.432 ( 0.000 1.244 0.000) 1.244 2.449 ( 0.000 -1.479 0.000) 1.479 2.763 ( 0.000 -8.779 0.000) 8.779 2.862 ( 0.000 0.919 0.000) 0.919 2.932 ( 0.000 -2.922 0.000) 2.922 2.980 ( 0.000 -9.379 0.000) 9.379 3.145 ( 0.000 -1.068 0.000) 1.068 3.331 ( 0.000 0.203 0.000) 0.203 3.572 ( 0.000 1.528 0.000) 1.528 3.705 ( 0.000 -6.509 0.000) 6.509 3.762 ( 0.000 10.565 0.000) 10.565 3.812 ( 0.000 0.418 0.000) 0.418 4.136 ( 0.000 -6.988 0.000) 6.988 4.220 ( 0.000 -2.850 0.000) 2.850 4.478 ( 0.000 -5.569 0.000) 5.569 4.708 ( 0.000 0.001 0.000) 0.001 4.892 ( 0.000 12.629 0.000) 12.629 5.099 ( 0.000 -9.968 0.000) 9.968 5.258 ( 0.000 -4.539 0.000) 4.539 5.497 ( 0.000 4.065 0.000) 4.065 5.711 ( 0.000 -5.586 0.000) 5.586 5.968 ( 0.000 0.257 0.000) 0.257 6.008 ( 0.000 0.059 0.000) 0.059 6.220 ( 0.000 -0.424 0.000) 0.424 6.523 ( 0.000 5.746 0.000) 5.746 6.541 ( 0.000 -0.831 0.000) 0.831 6.739 ( 0.000 -1.574 0.000) 1.574 6.936 ( 0.000 -13.654 0.000) 13.654 6.989 ( 0.000 2.544 0.000) 2.544 7.079 ( 0.000 -0.931 0.000) 0.931 7.195 ( 0.000 -1.581 0.000) 1.581 7.466 ( 0.000 6.902 0.000) 6.902 7.532 ( 0.000 6.884 0.000) 6.884 7.953 ( 0.000 0.067 0.000) 0.067 8.099 ( 0.000 0.780 0.000) 0.780 8.383 ( 0.000 -3.235 0.000) 3.235 8.415 ( 0.000 -0.479 0.000) 0.479 8.529 ( 0.000 0.979 0.000) 0.979 8.611 ( 0.000 0.390 0.000) 0.390 8.668 ( 0.000 1.382 0.000) 1.382 9.399 ( 0.000 1.338 0.000) 1.338 9.513 ( 0.000 -0.606 0.000) 0.606 11.937 ( 0.000 -0.435 0.000) 0.435 11.985 ( 0.000 -1.231 0.000) 1.231 12.184 ( 0.000 0.758 0.000) 0.758 12.385 ( 0.000 4.471 0.000) 4.471 12.798 ( 0.000 -6.722 0.000) 6.722 13.075 ( 0.000 0.162 0.000) 0.162 13.236 ( 0.000 -0.105 0.000) 0.105 13.778 ( 0.000 7.225 0.000) 7.225 14.205 ( 0.000 2.185 0.000) 2.185 14.361 ( 0.000 -15.034 0.000) 15.034 15.050 ( 0.000 13.922 0.000) 13.922 16.011 ( 0.000 -2.679 0.000) 2.679 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 11.170 18.701 0.245) 21.784 0.749 ( 15.841 19.147 0.009) 24.850 1.326 ( 23.901 32.546 -1.356) 40.402 1.967 ( 1.222 3.525 1.788) 4.138 2.067 ( -0.733 9.461 2.643) 9.850 2.179 ( -11.787 1.481 -2.512) 12.142 2.400 ( 1.664 -1.155 0.558) 2.101 2.631 ( -3.271 -1.075 3.714) 5.064 2.666 ( -3.029 -0.388 0.326) 3.071 2.818 ( 4.037 -7.355 2.508) 8.757 2.914 ( -1.738 -2.425 1.319) 3.262 3.017 ( 2.092 -2.372 -1.299) 3.419 3.221 ( 2.854 -3.422 2.090) 4.922 3.302 ( -3.830 -0.642 -5.440) 6.684 3.376 ( -9.019 1.454 -0.680) 9.161 3.667 ( -4.298 9.927 3.055) 11.241 3.791 ( 4.067 -7.886 -5.974) 10.696 4.038 ( 9.826 0.549 -5.925) 11.487 4.083 ( -0.066 -5.548 5.219) 7.617 4.222 ( -0.880 -3.558 4.230) 5.597 4.454 ( -2.853 -2.813 0.335) 4.021 4.805 ( 1.518 -4.122 9.370) 10.348 4.893 ( 0.840 7.442 2.846) 8.012 5.026 ( -4.838 -8.164 -1.719) 9.644 5.260 ( -0.190 -4.149 -1.529) 4.426 5.469 ( -1.309 4.432 -2.332) 5.176 5.719 ( -1.771 -3.581 1.102) 4.144 6.010 ( 0.806 -1.429 -1.034) 1.939 6.140 ( 9.811 -6.565 0.853) 11.836 6.236 ( 2.397 -0.748 0.795) 2.634 6.471 ( -1.985 5.193 2.693) 6.177 6.564 ( -1.137 -2.742 2.063) 3.615 6.726 ( -1.261 -2.273 -0.522) 2.651 6.889 ( -3.393 -7.535 -0.802) 8.303 6.939 ( -2.903 0.254 0.444) 2.948 7.106 ( 1.583 -7.450 -5.735) 9.534 7.284 ( 8.010 4.663 -1.655) 9.415 7.477 ( -0.443 4.355 7.865) 9.001 7.543 ( 1.550 6.409 -1.218) 6.705 7.960 ( 0.073 0.646 0.786) 1.020 8.065 ( -0.429 0.472 -4.152) 4.200 8.270 ( -6.946 9.325 0.170) 11.629 8.456 ( 1.645 -3.174 -1.463) 3.863 8.523 ( -0.461 1.420 0.196) 1.506 8.644 ( 2.118 -3.772 -3.620) 5.641 8.731 ( 4.446 -2.651 -3.334) 6.157 9.341 ( -3.718 3.177 -3.923) 6.269 9.454 ( -1.693 4.121 -1.645) 4.749 11.925 ( -0.927 -0.082 -0.596) 1.105 11.995 ( 0.640 -0.746 0.398) 1.060 12.071 ( -9.877 11.047 7.970) 16.826 12.272 ( 1.138 2.989 -19.820) 20.076 12.764 ( -0.223 -5.540 -1.610) 5.774 13.076 ( -0.251 0.395 -0.948) 1.057 13.209 ( -1.641 11.219 6.435) 13.037 13.934 ( 5.788 -7.756 3.055) 10.148 14.140 ( -0.806 -2.664 -11.615) 11.944 14.513 ( 6.052 -16.866 9.538) 20.300 14.993 ( -4.880 15.275 7.678) 17.779 16.040 ( 1.662 -1.545 -1.186) 2.561 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 20.230 3.904 -1.044) 20.630 1.134 ( 20.114 10.399 0.350) 22.646 1.682 ( 2.086 7.875 -0.993) 8.206 1.839 ( -15.091 2.377 1.295) 15.332 2.041 ( 7.760 10.674 1.554) 13.288 2.124 ( 0.979 11.854 -0.905) 11.929 2.380 ( -5.508 4.353 1.866) 7.265 2.521 ( 5.383 -0.805 1.294) 5.595 2.770 ( 2.534 -2.537 1.744) 3.987 2.875 ( -1.604 0.904 1.365) 2.292 2.915 ( 2.494 -8.725 2.167) 9.330 3.061 ( 2.482 2.773 1.554) 4.033 3.079 ( -10.630 1.199 -2.115) 10.904 3.219 ( -1.819 -0.898 -1.065) 2.291 3.338 ( 0.068 -0.401 -2.741) 2.771 3.571 ( -5.438 8.216 1.867) 10.028 3.814 ( -0.766 -10.013 -6.610) 12.022 4.028 ( 2.693 -6.541 -1.512) 7.234 4.198 ( -1.173 -2.196 3.347) 4.171 4.340 ( 10.893 -2.478 1.701) 11.300 4.371 ( -4.439 1.608 1.315) 4.901 4.759 ( -5.757 -6.992 -1.848) 9.243 4.886 ( -2.623 4.873 2.339) 6.008 5.023 ( 3.373 -3.415 6.240) 7.872 5.226 ( -2.120 -4.140 -3.570) 5.863 5.440 ( -0.450 5.078 -2.355) 5.616 5.659 ( -3.514 -1.830 1.005) 4.088 6.032 ( 1.418 -3.164 -0.673) 3.531 6.235 ( 1.331 -1.405 2.864) 3.457 6.331 ( 3.062 -0.054 0.529) 3.107 6.485 ( 2.590 1.140 1.874) 3.395 6.533 ( -1.437 -4.855 1.331) 5.236 6.676 ( -3.293 -3.605 -0.289) 4.891 6.830 ( -1.863 -3.676 -0.977) 4.236 6.884 ( -2.297 -0.147 0.014) 2.302 7.107 ( 0.528 -7.186 -4.369) 8.426 7.437 ( 4.664 8.575 0.216) 9.764 7.512 ( 2.599 2.518 3.147) 4.796 7.588 ( 3.509 1.852 -2.146) 4.511 7.938 ( -3.109 0.841 2.687) 4.194 8.069 ( 1.451 0.242 -2.425) 2.837 8.151 ( -4.265 3.953 1.104) 5.919 8.470 ( 0.537 1.907 -0.853) 2.157 8.509 ( -0.970 3.595 -0.058) 3.724 8.668 ( 0.967 -1.968 -1.283) 2.540 8.774 ( 1.372 -4.823 -4.467) 6.715 9.290 ( -0.587 2.683 -0.640) 2.821 9.433 ( -0.199 3.705 -1.809) 4.128 11.903 ( -0.567 2.325 -0.840) 2.537 11.948 ( -3.576 7.718 2.109) 8.764 12.020 ( 0.845 -0.488 -0.289) 1.017 12.257 ( 0.979 0.653 -6.395) 6.502 12.768 ( 0.620 -5.368 -0.788) 5.461 13.062 ( -0.626 -0.918 -0.520) 1.227 13.208 ( -0.489 14.129 3.701) 14.614 14.004 ( 0.725 -4.418 2.716) 5.236 14.108 ( 0.796 -8.682 -6.891) 11.113 14.619 ( 2.533 -17.868 2.591) 18.232 14.937 ( -2.698 16.883 5.250) 17.885 16.058 ( 0.514 0.497 -0.714) 1.010 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 -7.231 -0.000) 7.231 1.425 ( -0.000 5.567 0.000) 5.567 1.518 ( -0.000 2.053 0.000) 2.053 1.556 ( 0.000 8.552 -0.000) 8.552 2.125 ( -0.000 11.886 -0.000) 11.886 2.132 ( 0.000 2.538 0.000) 2.538 2.434 ( -0.000 20.728 0.000) 20.728 2.597 ( 0.000 -2.853 -0.000) 2.853 2.762 ( 0.000 -1.035 0.000) 1.035 2.856 ( 0.000 1.597 -0.000) 1.597 2.920 ( 0.000 -4.368 0.000) 4.368 2.971 ( 0.000 -5.464 0.000) 5.464 3.112 ( -0.000 4.431 -0.000) 4.431 3.187 ( 0.000 2.501 0.000) 2.501 3.327 ( 0.000 -0.699 0.000) 0.699 3.502 ( 0.000 7.369 -0.000) 7.369 3.778 ( 0.000 -11.683 0.000) 11.683 4.082 ( 0.000 -8.936 0.000) 8.936 4.194 ( 0.000 -1.983 0.000) 1.983 4.300 ( 0.000 3.969 -0.000) 3.969 4.509 ( -0.000 -7.099 -0.000) 7.099 4.648 ( 0.000 -3.806 0.000) 3.806 4.860 ( 0.000 6.210 0.000) 6.210 5.099 ( 0.000 -1.787 0.000) 1.787 5.173 ( 0.000 -5.474 0.000) 5.474 5.434 ( 0.000 4.907 0.000) 4.907 5.618 ( 0.000 -1.458 -0.000) 1.458 6.048 ( 0.000 -3.678 0.000) 3.678 6.255 ( 0.000 -0.843 0.000) 0.843 6.352 ( 0.000 2.799 -0.000) 2.799 6.511 ( 0.000 -3.069 0.000) 3.069 6.559 ( 0.000 -2.749 0.000) 2.749 6.616 ( 0.000 -4.677 0.000) 4.677 6.808 ( 0.000 -2.947 0.000) 2.947 6.858 ( 0.000 0.464 0.000) 0.464 7.103 ( 0.000 -6.346 0.000) 6.346 7.471 ( 0.000 7.322 -0.000) 7.322 7.555 ( 0.000 1.325 0.000) 1.325 7.650 ( 0.000 5.574 0.000) 5.574 7.887 ( 0.000 -2.796 0.000) 2.796 8.094 ( 0.000 -1.769 -0.000) 1.769 8.101 ( -0.000 3.283 0.000) 3.283 8.483 ( -0.000 2.842 0.000) 2.842 8.487 ( 0.000 5.834 -0.000) 5.834 8.675 ( 0.000 -1.374 0.000) 1.374 8.777 ( 0.000 -4.968 -0.000) 4.968 9.287 ( 0.000 2.100 0.000) 2.100 9.428 ( 0.000 3.379 0.000) 3.379 11.904 ( -0.000 8.820 0.000) 8.820 11.908 ( 0.000 0.279 -0.000) 0.279 12.029 ( 0.000 -0.564 -0.000) 0.564 12.256 ( 0.000 0.410 -0.000) 0.410 12.774 ( 0.000 -5.172 0.000) 5.172 13.053 ( 0.000 -1.675 0.000) 1.675 13.210 ( 0.000 14.776 -0.000) 14.776 14.011 ( 0.000 -1.725 -0.000) 1.725 14.108 ( 0.000 -11.725 0.000) 11.725 14.649 ( 0.000 -19.075 0.000) 19.075 14.919 ( 0.000 18.410 0.000) 18.410 16.061 ( 0.000 1.130 0.000) 1.130 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 24.358 0.000) 24.358 1.130 ( 0.000 23.764 0.000) 23.764 1.867 ( 0.000 32.951 0.000) 32.951 1.990 ( 0.000 -0.484 0.000) 0.484 2.295 ( 0.000 8.882 0.000) 8.882 2.391 ( 0.000 -0.199 0.000) 0.199 2.424 ( 0.000 -0.295 0.000) 0.295 2.460 ( 0.000 2.373 0.000) 2.373 2.585 ( 0.000 -4.188 0.000) 4.188 2.756 ( 0.000 -9.908 0.000) 9.908 2.875 ( 0.000 -0.243 0.000) 0.243 2.906 ( 0.000 1.812 0.000) 1.812 3.148 ( 0.000 1.715 0.000) 1.715 3.386 ( 0.000 4.901 0.000) 4.901 3.486 ( 0.000 -12.453 0.000) 12.453 3.587 ( 0.000 -0.651 0.000) 0.651 3.808 ( 0.000 -3.125 0.000) 3.125 3.996 ( 0.000 7.871 0.000) 7.871 4.025 ( 0.000 0.513 0.000) 0.513 4.094 ( 0.000 -9.696 0.000) 9.696 4.350 ( 0.000 -6.109 0.000) 6.109 4.631 ( 0.000 -9.331 0.000) 9.331 4.891 ( 0.000 -6.012 0.000) 6.012 4.999 ( 0.000 -3.387 0.000) 3.387 5.325 ( 0.000 9.309 0.000) 9.309 5.584 ( 0.000 -5.673 0.000) 5.673 5.586 ( 0.000 6.186 0.000) 6.186 5.965 ( 0.000 -0.370 0.000) 0.370 6.005 ( 0.000 -0.487 0.000) 0.487 6.185 ( 0.000 -3.367 0.000) 3.367 6.533 ( 0.000 0.090 0.000) 0.090 6.613 ( 0.000 -0.056 0.000) 0.056 6.700 ( 0.000 -7.664 0.000) 7.664 6.759 ( 0.000 5.712 0.000) 5.712 6.928 ( 0.000 -9.320 0.000) 9.320 7.041 ( 0.000 1.771 0.000) 1.771 7.285 ( 0.000 5.812 0.000) 5.812 7.511 ( 0.000 -1.849 0.000) 1.849 7.704 ( 0.000 9.476 0.000) 9.476 7.966 ( 0.000 1.160 0.000) 1.160 8.110 ( 0.000 -0.056 0.000) 0.056 8.353 ( 0.000 -1.500 0.000) 1.500 8.438 ( 0.000 3.179 0.000) 3.179 8.536 ( 0.000 -4.054 0.000) 4.054 8.546 ( 0.000 0.506 0.000) 0.506 8.715 ( 0.000 0.509 0.000) 0.509 9.431 ( 0.000 1.493 0.000) 1.493 9.497 ( 0.000 -0.842 0.000) 0.842 11.929 ( 0.000 -0.189 0.000) 0.189 11.960 ( 0.000 -1.051 0.000) 1.051 12.212 ( 0.000 2.040 0.000) 2.040 12.479 ( 0.000 1.931 0.000) 1.931 12.660 ( 0.000 -3.535 0.000) 3.535 13.023 ( 0.000 -5.067 0.000) 5.067 13.297 ( 0.000 6.027 0.000) 6.027 13.914 ( 0.000 -0.078 0.000) 0.078 14.090 ( 0.000 -5.466 0.000) 5.466 14.253 ( 0.000 1.829 0.000) 1.829 15.331 ( 0.000 12.435 0.000) 12.435 15.923 ( 0.000 -5.641 0.000) 5.641 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.610 23.485 -0.580) 23.547 1.197 ( 8.725 21.861 -0.487) 23.543 1.934 ( 1.183 15.789 1.665) 15.921 2.062 ( 8.095 6.845 1.072) 10.655 2.168 ( -13.306 2.040 -0.608) 13.476 2.327 ( -1.784 5.409 2.176) 6.097 2.367 ( 2.371 1.707 0.865) 3.047 2.618 ( 5.429 -2.705 3.377) 6.942 2.647 ( -6.092 0.346 0.313) 6.110 2.670 ( 5.788 -1.027 -0.718) 5.922 2.902 ( -0.322 2.228 2.267) 3.195 2.960 ( 6.068 -1.722 1.090) 6.401 3.171 ( 1.151 -1.091 0.089) 1.588 3.312 ( -7.839 -0.426 -5.859) 9.796 3.415 ( -1.084 2.587 -2.624) 3.841 3.605 ( 2.321 -7.859 -5.823) 10.053 3.846 ( -2.497 2.612 1.855) 4.062 3.944 ( -4.860 -2.505 1.399) 5.644 4.065 ( 8.532 -0.252 -1.805) 8.725 4.114 ( -0.280 -6.597 4.912) 8.229 4.357 ( -0.057 -5.097 0.007) 5.097 4.611 ( -2.856 -13.246 0.537) 13.561 4.888 ( 0.975 -2.532 1.237) 2.982 5.009 ( -0.023 -1.891 1.773) 2.593 5.298 ( -2.247 8.232 -1.560) 8.674 5.543 ( -1.209 2.080 1.463) 2.816 5.636 ( 1.473 -1.766 -2.552) 3.435 5.976 ( -0.880 -1.635 -2.614) 3.207 6.063 ( 7.179 -1.734 -0.763) 7.424 6.211 ( 2.329 -2.396 2.089) 3.941 6.512 ( -2.513 -0.497 3.887) 4.655 6.581 ( -2.801 0.155 0.518) 2.852 6.684 ( -1.596 -5.510 -0.156) 5.739 6.739 ( -1.842 3.324 0.437) 3.826 6.913 ( -0.491 -8.899 -3.168) 9.459 7.011 ( -2.367 1.691 0.991) 3.073 7.369 ( 7.080 3.414 -0.514) 7.877 7.519 ( 0.282 -1.050 2.063) 2.332 7.703 ( 0.313 9.620 -1.895) 9.810 7.986 ( 1.230 1.639 0.651) 2.150 8.075 ( -1.666 0.392 -2.652) 3.156 8.317 ( -4.049 -3.815 -0.376) 5.576 8.472 ( 0.090 4.477 1.531) 4.733 8.538 ( 0.703 -0.565 -0.705) 1.145 8.562 ( 3.339 -2.433 2.387) 4.771 8.737 ( 1.763 0.739 -1.859) 2.667 9.397 ( -2.097 2.388 -3.127) 4.459 9.490 ( -0.475 0.044 -0.543) 0.723 11.924 ( -0.269 0.158 -0.447) 0.545 11.974 ( 1.148 -1.038 -0.080) 1.549 12.203 ( -2.148 3.310 6.063) 7.234 12.373 ( -5.204 4.227 -11.448) 13.266 12.667 ( 0.881 -2.425 -0.583) 2.645 13.041 ( -0.383 -4.697 2.570) 5.368 13.346 ( 3.168 4.367 7.280) 9.061 13.920 ( 0.530 0.052 0.271) 0.597 14.018 ( -2.763 -5.410 -13.557) 14.856 14.293 ( 0.573 -3.172 8.910) 9.475 15.317 ( -1.304 14.288 2.407) 14.548 15.961 ( 3.017 -5.720 -0.958) 6.537 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 8.318 16.644 -0.907) 18.629 1.426 ( 12.833 15.775 -0.931) 20.357 1.844 ( -11.365 8.437 -1.330) 14.217 1.917 ( -8.720 3.908 2.566) 9.894 2.176 ( -2.056 1.591 1.622) 3.064 2.301 ( 1.931 -3.537 0.929) 4.135 2.486 ( 5.710 7.785 3.336) 10.215 2.624 ( 2.886 3.361 4.868) 6.582 2.708 ( 4.017 -1.583 -1.509) 4.574 2.764 ( 3.442 2.178 -1.292) 4.272 2.903 ( -0.562 1.035 3.065) 3.284 3.102 ( -6.857 0.146 -2.205) 7.205 3.127 ( 7.066 3.522 0.178) 7.898 3.212 ( 2.036 1.322 1.832) 3.041 3.385 ( -0.894 4.666 -6.436) 8.000 3.573 ( -3.900 -4.446 -9.086) 10.841 3.801 ( 0.245 -1.167 -1.215) 1.703 3.853 ( -4.632 -1.158 5.161) 7.031 4.118 ( -0.194 -5.192 3.411) 6.215 4.250 ( 6.279 -6.175 1.144) 8.881 4.321 ( -2.545 -5.280 -0.411) 5.876 4.532 ( -3.340 -13.188 -1.453) 13.681 4.943 ( 2.391 -2.417 3.289) 4.730 5.014 ( 0.785 1.125 0.857) 1.618 5.228 ( -3.615 6.706 -2.311) 7.961 5.536 ( -0.304 3.539 2.176) 4.166 5.622 ( -1.384 -0.790 -3.127) 3.509 5.952 ( -0.196 -4.065 -1.659) 4.395 6.197 ( 4.008 -1.766 2.328) 4.960 6.298 ( 5.388 -2.535 -0.678) 5.993 6.465 ( -2.949 -2.032 2.801) 4.547 6.525 ( -2.355 -0.529 0.524) 2.469 6.640 ( -2.232 0.651 0.702) 2.429 6.702 ( -1.418 -2.728 -0.476) 3.111 6.901 ( 0.652 -5.771 -2.857) 6.472 6.967 ( -2.174 -1.344 0.830) 2.687 7.510 ( 4.193 -0.176 -0.959) 4.305 7.539 ( 1.622 -0.113 3.332) 3.708 7.722 ( 3.838 10.217 -4.954) 11.985 7.976 ( -3.828 2.048 3.756) 5.741 8.058 ( 0.824 -0.721 -2.760) 2.969 8.208 ( -5.076 0.817 1.068) 5.251 8.469 ( -0.030 -2.198 0.721) 2.314 8.555 ( 0.910 -1.200 -0.426) 1.566 8.649 ( 3.030 2.653 1.636) 4.347 8.756 ( 0.748 1.847 -2.656) 3.320 9.353 ( -0.892 3.163 -1.723) 3.711 9.478 ( -0.375 0.513 -1.132) 1.298 11.920 ( 0.101 0.801 -0.421) 0.910 11.999 ( 1.094 -0.929 -0.124) 1.441 12.152 ( -4.225 8.059 5.160) 10.461 12.279 ( -0.331 1.486 -8.206) 8.346 12.687 ( 1.087 -1.890 -0.640) 2.273 13.017 ( -1.824 -3.876 0.967) 4.392 13.444 ( 2.735 6.129 8.695) 10.984 13.918 ( -2.005 -4.712 -8.928) 10.292 13.936 ( 0.591 -5.296 -2.160) 5.750 14.317 ( -0.475 -7.569 4.978) 9.071 15.307 ( -0.442 16.584 1.864) 16.694 16.011 ( 1.838 -4.925 -0.683) 5.301 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 7.564 0.000) 7.564 1.621 ( -0.000 11.505 -0.000) 11.505 1.674 ( -0.000 9.887 0.000) 9.887 1.759 ( 0.000 10.373 -0.000) 10.373 2.132 ( 0.000 -1.362 0.000) 1.362 2.328 ( 0.000 -2.051 -0.000) 2.051 2.573 ( 0.000 7.654 -0.000) 7.654 2.671 ( 0.000 -6.349 -0.000) 6.349 2.770 ( 0.000 -7.149 0.000) 7.149 2.796 ( -0.000 8.365 0.000) 8.365 2.944 ( -0.000 2.222 -0.000) 2.222 2.950 ( 0.000 5.319 0.000) 5.319 3.241 ( 0.000 6.852 0.000) 6.852 3.249 ( -0.000 1.560 -0.000) 1.560 3.369 ( 0.000 7.272 0.000) 7.272 3.480 ( 0.000 -5.670 0.000) 5.670 3.760 ( 0.000 8.204 -0.000) 8.204 3.853 ( -0.000 -11.220 0.000) 11.220 4.136 ( 0.000 -3.188 0.000) 3.188 4.228 ( 0.000 -8.224 -0.000) 8.224 4.360 ( 0.000 -7.913 0.000) 7.913 4.491 ( 0.000 -10.901 0.000) 10.901 4.971 ( 0.000 -0.223 0.000) 0.223 5.047 ( 0.000 -2.981 -0.000) 2.981 5.167 ( 0.000 8.651 -0.000) 8.651 5.539 ( 0.000 5.389 0.000) 5.389 5.592 ( 0.000 -1.232 -0.000) 1.232 5.951 ( 0.000 -5.251 0.000) 5.251 6.241 ( 0.000 -0.263 0.000) 0.263 6.368 ( 0.000 -3.677 0.000) 3.677 6.434 ( 0.000 -1.370 0.000) 1.370 6.495 ( 0.000 -3.381 0.000) 3.381 6.617 ( 0.000 4.209 0.000) 4.209 6.685 ( 0.000 -5.127 0.000) 5.127 6.915 ( 0.000 1.509 -0.000) 1.509 6.934 ( 0.000 -8.631 0.000) 8.631 7.532 ( 0.000 -0.790 0.000) 0.790 7.573 ( -0.000 1.556 -0.000) 1.556 7.824 ( 0.000 7.914 -0.000) 7.914 7.878 ( -0.000 2.140 0.000) 2.140 8.063 ( 0.000 -0.684 0.000) 0.684 8.158 ( 0.000 2.166 -0.000) 2.166 8.472 ( 0.000 -3.669 0.000) 3.669 8.565 ( 0.000 -1.593 0.000) 1.593 8.685 ( 0.000 4.481 0.000) 4.481 8.755 ( 0.000 2.474 0.000) 2.474 9.344 ( 0.000 3.032 0.000) 3.032 9.471 ( 0.000 0.544 0.000) 0.544 11.922 ( 0.000 1.043 0.000) 1.043 12.011 ( 0.000 -0.789 -0.000) 0.789 12.112 ( 0.000 9.096 0.000) 9.096 12.265 ( 0.000 0.437 -0.000) 0.437 12.699 ( 0.000 -1.724 0.000) 1.724 12.996 ( 0.000 -3.952 0.000) 3.952 13.493 ( 0.000 9.307 -0.000) 9.307 13.874 ( 0.000 -11.784 -0.000) 11.784 13.941 ( 0.000 -2.049 0.000) 2.049 14.319 ( 0.000 -9.054 0.000) 9.054 15.307 ( 0.000 17.391 0.000) 17.391 16.029 ( 0.000 -4.411 0.000) 4.411 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 18.533 0.000) 18.533 1.599 ( 0.000 21.037 0.000) 21.037 1.873 ( 0.000 -10.464 0.000) 10.464 1.989 ( 0.000 -14.181 0.000) 14.181 2.400 ( 0.000 1.445 0.000) 1.445 2.410 ( 0.000 1.564 0.000) 1.564 2.433 ( 0.000 1.033 0.000) 1.033 2.502 ( 0.000 -5.090 0.000) 5.090 2.684 ( 0.000 8.735 0.000) 8.735 2.830 ( 0.000 -4.344 0.000) 4.344 2.888 ( 0.000 24.078 0.000) 24.078 3.013 ( 0.000 8.896 0.000) 8.896 3.156 ( 0.000 -6.060 0.000) 6.060 3.259 ( 0.000 -5.806 0.000) 5.806 3.518 ( 0.000 -1.056 0.000) 1.056 3.566 ( 0.000 8.771 0.000) 8.771 3.620 ( 0.000 -13.421 0.000) 13.421 3.834 ( 0.000 -13.648 0.000) 13.648 4.046 ( 0.000 5.175 0.000) 5.175 4.198 ( 0.000 -8.245 0.000) 8.245 4.220 ( 0.000 9.082 0.000) 9.082 4.403 ( 0.000 -9.286 0.000) 9.286 4.854 ( 0.000 0.930 0.000) 0.930 4.907 ( 0.000 -3.911 0.000) 3.911 5.439 ( 0.000 2.267 0.000) 2.267 5.489 ( 0.000 -3.208 0.000) 3.208 5.812 ( 0.000 13.083 0.000) 13.083 5.963 ( 0.000 0.375 0.000) 0.375 5.984 ( 0.000 -1.301 0.000) 1.301 6.057 ( 0.000 -9.038 0.000) 9.038 6.537 ( 0.000 0.434 0.000) 0.434 6.569 ( 0.000 -2.463 0.000) 2.463 6.641 ( 0.000 1.864 0.000) 1.864 6.742 ( 0.000 -7.086 0.000) 7.086 6.923 ( 0.000 7.374 0.000) 7.374 7.036 ( 0.000 -2.783 0.000) 2.783 7.381 ( 0.000 3.266 0.000) 3.266 7.445 ( 0.000 -3.304 0.000) 3.304 7.919 ( 0.000 9.383 0.000) 9.383 7.993 ( 0.000 0.853 0.000) 0.853 8.104 ( 0.000 0.718 0.000) 0.718 8.231 ( 0.000 -9.037 0.000) 9.037 8.515 ( 0.000 1.190 0.000) 1.190 8.528 ( 0.000 1.921 0.000) 1.921 8.564 ( 0.000 3.733 0.000) 3.733 8.673 ( 0.000 -4.252 0.000) 4.252 9.458 ( 0.000 1.095 0.000) 1.095 9.479 ( 0.000 -0.893 0.000) 0.893 11.931 ( 0.000 0.321 0.000) 0.321 11.942 ( 0.000 -0.700 0.000) 0.700 12.278 ( 0.000 4.413 0.000) 4.413 12.397 ( 0.000 -6.414 0.000) 6.414 12.730 ( 0.000 7.041 0.000) 7.041 12.887 ( 0.000 -7.333 0.000) 7.333 13.470 ( 0.000 9.978 0.000) 9.978 13.708 ( 0.000 -12.252 0.000) 12.252 14.175 ( 0.000 5.980 0.000) 5.980 14.259 ( 0.000 -1.688 0.000) 1.688 15.574 ( 0.000 10.493 0.000) 10.493 15.774 ( 0.000 -8.363 0.000) 8.363 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.316 18.819 -0.886) 18.886 1.640 ( 4.507 19.191 -1.209) 19.750 1.913 ( 2.381 -9.961 0.579) 10.258 2.005 ( 2.144 -12.655 -1.317) 12.903 2.245 ( -10.702 4.146 -0.026) 11.477 2.326 ( -7.352 -2.611 1.973) 8.047 2.449 ( 0.833 2.181 5.905) 6.350 2.512 ( -0.040 -4.300 5.177) 6.730 2.760 ( 4.132 7.896 1.583) 9.052 2.844 ( 1.621 4.247 0.784) 4.613 2.977 ( 2.738 3.888 -2.103) 5.199 3.011 ( 1.433 5.591 -0.588) 5.802 3.172 ( 4.953 4.100 -1.029) 6.512 3.277 ( -0.655 0.952 -5.196) 5.323 3.451 ( -0.930 -5.311 -2.222) 5.831 3.498 ( -1.304 -0.329 -4.261) 4.468 3.760 ( 4.127 -4.147 0.114) 5.852 3.876 ( 4.822 -8.732 -1.234) 10.051 4.012 ( -2.499 2.367 4.206) 5.434 4.102 ( -5.422 -0.772 1.520) 5.684 4.268 ( 0.832 -1.118 -0.690) 1.555 4.359 ( -3.833 -8.267 -1.311) 9.206 4.878 ( 1.780 1.241 1.514) 2.646 4.933 ( 1.837 -3.688 1.331) 4.330 5.432 ( -0.684 3.768 -0.258) 3.839 5.503 ( 0.826 -3.421 1.522) 3.835 5.763 ( -2.543 10.078 -3.711) 11.036 5.925 ( -3.067 -4.233 -3.944) 6.548 6.051 ( 6.356 1.046 0.160) 6.443 6.124 ( 4.569 -5.163 1.880) 7.146 6.507 ( -3.111 0.315 2.277) 3.868 6.537 ( -2.954 -2.471 1.104) 4.006 6.635 ( -0.319 1.736 -0.813) 1.943 6.734 ( -0.455 -7.081 -1.424) 7.237 6.884 ( -3.536 7.324 2.321) 8.457 7.001 ( -3.333 -3.152 2.111) 5.050 7.428 ( 4.052 2.182 -0.464) 4.626 7.473 ( 2.408 -2.367 -0.428) 3.403 7.923 ( 0.756 9.712 -3.144) 10.236 8.017 ( 2.208 0.489 -1.153) 2.539 8.082 ( -2.154 1.140 -0.648) 2.522 8.196 ( -2.080 -7.548 -1.204) 7.921 8.490 ( -1.779 -0.575 3.103) 3.623 8.502 ( -3.046 -0.957 3.209) 4.527 8.632 ( 5.495 5.161 -0.083) 7.539 8.719 ( 3.441 -2.620 -0.920) 4.422 9.442 ( -0.931 1.881 -2.033) 2.922 9.475 ( -0.244 -1.236 -0.976) 1.594 11.933 ( 0.403 0.744 -0.373) 0.925 11.952 ( 0.978 -0.990 -0.271) 1.417 12.274 ( -0.647 3.908 1.434) 4.213 12.365 ( -2.348 -3.954 -2.564) 5.265 12.723 ( -0.336 6.867 0.103) 6.876 12.893 ( -0.267 -8.282 2.487) 8.652 13.480 ( 0.935 8.549 1.618) 8.751 13.700 ( -0.395 -12.015 -2.184) 12.218 14.134 ( -3.005 7.238 -1.963) 8.079 14.245 ( -1.704 -3.146 1.747) 3.981 15.589 ( 1.230 11.524 0.901) 11.624 15.805 ( 2.617 -8.886 -0.131) 9.264 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 2.790 18.325 -1.485) 18.596 1.751 ( 6.099 13.285 -1.885) 14.739 1.929 ( -1.126 -4.363 0.186) 4.509 2.030 ( -6.658 6.531 -1.278) 9.414 2.067 ( 1.218 -11.097 -0.694) 11.185 2.172 ( -7.657 -4.082 3.042) 9.195 2.519 ( 2.968 -2.352 6.611) 7.619 2.541 ( 0.927 -3.151 6.850) 7.596 2.825 ( 1.797 7.230 0.546) 7.470 2.891 ( -1.124 -0.064 3.759) 3.924 2.932 ( 2.063 4.878 -2.425) 5.825 3.080 ( 1.677 -6.502 -2.477) 7.157 3.171 ( -3.854 7.668 -3.630) 9.318 3.322 ( 2.791 1.273 -5.000) 5.866 3.457 ( 3.895 1.886 -0.912) 4.423 3.528 ( 3.493 -1.249 -3.219) 4.911 3.758 ( 0.465 8.360 -5.475) 10.004 3.963 ( -0.128 2.176 6.000) 6.384 4.017 ( -1.868 -4.399 2.035) 5.195 4.055 ( 4.509 -9.655 2.670) 10.985 4.223 ( -5.415 -3.005 -2.094) 6.538 4.265 ( -3.092 -9.252 -1.398) 9.854 4.923 ( 1.731 0.892 1.495) 2.455 4.972 ( 1.192 -3.149 0.541) 3.410 5.409 ( -1.275 7.519 -0.031) 7.627 5.526 ( 0.596 -3.697 2.689) 4.610 5.704 ( -1.773 7.412 -4.120) 8.663 5.854 ( -2.207 -5.762 -2.626) 6.705 6.182 ( 5.339 0.668 0.703) 5.426 6.230 ( 4.775 -3.482 0.060) 5.910 6.441 ( -3.507 -0.023 1.984) 4.029 6.471 ( -3.459 -2.757 0.862) 4.507 6.632 ( 0.499 1.632 -0.855) 1.909 6.717 ( -0.754 -4.964 -0.806) 5.085 6.824 ( -2.211 5.053 1.225) 5.650 6.934 ( -3.564 -3.661 2.192) 5.560 7.512 ( 3.167 0.450 -0.752) 3.286 7.525 ( 2.728 -0.784 0.643) 2.911 7.924 ( 0.925 7.396 -5.159) 9.065 8.006 ( -3.622 -0.695 -1.531) 3.993 8.066 ( 1.641 3.223 1.109) 3.783 8.172 ( -0.148 -4.423 -0.189) 4.430 8.438 ( -2.599 0.326 2.201) 3.422 8.487 ( -0.864 -3.671 2.703) 4.640 8.736 ( 3.888 3.770 0.701) 5.461 8.781 ( 2.472 -0.292 -0.906) 2.648 9.417 ( -0.650 2.718 -1.673) 3.258 9.464 ( -0.374 -1.591 -1.262) 2.065 11.944 ( 0.659 1.405 -0.380) 1.598 11.974 ( 1.080 -1.354 -0.310) 1.760 12.262 ( -1.295 3.054 3.161) 4.582 12.302 ( -2.022 -0.322 -4.001) 4.494 12.724 ( 0.252 5.679 0.223) 5.689 12.885 ( -1.057 -8.111 1.879) 8.393 13.524 ( 2.188 4.279 3.761) 6.103 13.674 ( -1.115 -10.055 -3.904) 10.844 14.066 ( -2.424 8.255 -1.344) 8.708 14.209 ( -1.866 -5.032 1.035) 5.466 15.621 ( 1.221 13.030 0.762) 13.109 15.858 ( 2.071 -9.373 -0.069) 9.600 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 16.639 0.000) 16.639 1.830 ( -0.000 5.558 -0.000) 5.558 1.881 ( 0.000 8.224 0.000) 8.224 1.963 ( -0.000 7.412 0.000) 7.412 2.077 ( -0.000 -3.929 0.000) 3.929 2.091 ( 0.000 -14.608 -0.000) 14.608 2.548 ( 0.000 -3.316 -0.000) 3.316 2.597 ( -0.000 -7.074 0.000) 7.074 2.815 ( 0.000 9.261 0.000) 9.261 2.913 ( 0.000 1.469 0.000) 1.469 2.985 ( -0.000 1.466 -0.000) 1.466 3.029 ( 0.000 4.209 0.000) 4.209 3.172 ( 0.000 -3.757 0.000) 3.757 3.278 ( 0.000 -5.713 -0.000) 5.713 3.524 ( 0.000 5.749 0.000) 5.749 3.563 ( 0.000 3.150 0.000) 3.150 3.788 ( -0.000 11.124 0.000) 11.124 3.940 ( 0.000 8.030 -0.000) 8.030 4.065 ( 0.000 -3.523 0.000) 3.523 4.067 ( -0.000 -7.644 -0.000) 7.644 4.146 ( 0.000 -9.104 0.000) 9.104 4.226 ( 0.000 -12.289 -0.000) 12.289 4.948 ( 0.000 0.031 0.000) 0.031 4.982 ( 0.000 -2.830 -0.000) 2.830 5.393 ( 0.000 9.679 -0.000) 9.679 5.540 ( 0.000 -4.332 0.000) 4.332 5.673 ( 0.000 7.260 0.000) 7.260 5.827 ( 0.000 -6.678 0.000) 6.678 6.248 ( 0.000 0.947 -0.000) 0.947 6.286 ( 0.000 -2.911 0.000) 2.911 6.407 ( -0.000 -1.053 -0.000) 1.053 6.422 ( 0.000 -2.719 0.000) 2.719 6.642 ( 0.000 1.299 0.000) 1.299 6.702 ( 0.000 -0.871 -0.000) 0.871 6.810 ( 0.000 0.831 -0.000) 0.831 6.892 ( -0.000 -3.477 0.000) 3.477 7.539 ( 0.000 1.084 0.000) 1.084 7.566 ( 0.000 -1.273 -0.000) 1.273 7.938 ( 0.000 2.285 -0.000) 2.285 7.943 ( -0.000 2.508 0.000) 2.508 8.089 ( -0.000 3.668 0.000) 3.668 8.171 ( 0.000 -2.004 -0.000) 2.004 8.414 ( 0.000 0.138 0.000) 0.138 8.481 ( 0.000 -4.767 0.000) 4.767 8.782 ( 0.000 3.171 0.000) 3.171 8.803 ( 0.000 1.065 -0.000) 1.065 9.407 ( 0.000 2.819 0.000) 2.819 9.457 ( 0.000 -1.685 0.000) 1.685 11.952 ( 0.000 1.690 0.000) 1.690 11.987 ( 0.000 -1.471 -0.000) 1.471 12.250 ( 0.000 3.359 0.000) 3.359 12.274 ( -0.000 0.191 -0.000) 0.191 12.728 ( 0.000 4.945 0.000) 4.945 12.875 ( 0.000 -7.378 0.000) 7.378 13.569 ( -0.000 0.849 -0.000) 0.849 13.642 ( 0.000 -7.440 0.000) 7.440 14.038 ( 0.000 8.139 -0.000) 8.139 14.190 ( 0.000 -5.738 0.000) 5.738 15.636 ( 0.000 13.602 0.000) 13.602 15.880 ( 0.000 -9.450 0.000) 9.450 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -10.976 0.000 22.810) 25.314 0.501 ( -3.796 0.000 26.047) 26.322 0.852 ( -6.770 0.000 43.917) 44.436 1.895 ( 2.951 0.000 -0.518) 2.996 1.935 ( -0.070 0.000 0.169) 0.183 2.383 ( -0.574 0.000 -0.362) 0.679 2.414 ( -0.930 0.000 0.729) 1.181 2.528 ( 3.911 0.000 4.818) 6.205 2.813 ( 4.490 0.000 -2.507) 5.142 2.874 ( 6.226 0.000 -0.822) 6.280 2.926 ( -0.570 0.000 -3.175) 3.225 3.067 ( -8.887 0.000 0.783) 8.921 3.214 ( 5.253 0.000 2.495) 5.816 3.381 ( -1.962 0.000 2.599) 3.256 3.498 ( 0.521 0.000 -4.478) 4.508 3.608 ( -3.569 0.000 -1.760) 3.979 3.728 ( 3.156 0.000 -0.236) 3.165 3.792 ( -4.811 0.000 -4.369) 6.498 4.209 ( -1.913 0.000 -2.392) 3.063 4.375 ( 2.188 0.000 1.513) 2.660 4.490 ( 0.151 0.000 -5.885) 5.887 4.676 ( 2.370 0.000 -3.396) 4.141 5.209 ( -0.913 0.000 1.052) 1.393 5.353 ( 15.517 0.000 -0.688) 15.532 5.399 ( -1.740 0.000 -0.256) 1.759 5.416 ( 40.425 0.000 2.939) 40.532 5.783 ( 0.154 0.000 0.025) 0.156 6.030 ( -6.230 0.000 4.228) 7.529 6.071 ( -13.660 0.000 5.988) 14.915 6.194 ( 1.418 0.000 -3.033) 3.348 6.365 ( 3.513 0.000 1.972) 4.029 6.590 ( -17.931 0.000 1.961) 18.038 6.679 ( 3.624 0.000 -3.856) 5.292 6.776 ( -1.880 0.000 1.007) 2.132 7.012 ( -2.204 0.000 5.332) 5.769 7.122 ( 2.285 0.000 -1.171) 2.568 7.207 ( -2.849 0.000 -1.919) 3.435 7.246 ( 1.243 0.000 -2.480) 2.775 7.261 ( 2.433 0.000 1.557) 2.888 7.949 ( 0.779 0.000 -1.134) 1.376 8.112 ( -2.079 0.000 1.937) 2.842 8.402 ( 3.289 0.000 -2.268) 3.995 8.463 ( -2.953 0.000 -4.002) 4.973 8.481 ( 0.502 0.000 -3.457) 3.493 8.717 ( -1.172 0.000 3.574) 3.761 8.796 ( -29.464 0.000 2.841) 29.601 9.185 ( 2.329 0.000 -1.231) 2.635 9.364 ( -2.444 0.000 -2.086) 3.213 11.854 ( -0.763 0.000 1.872) 2.021 11.953 ( 0.113 0.000 1.086) 1.092 12.007 ( -0.294 0.000 0.590) 0.659 12.648 ( -25.066 0.000 -11.316) 27.502 12.898 ( 1.940 0.000 -4.561) 4.957 13.062 ( -30.257 0.000 8.492) 31.426 13.163 ( -1.617 0.000 7.075) 7.257 13.705 ( 24.100 0.000 -9.328) 25.842 14.251 ( -0.232 0.000 0.928) 0.957 14.565 ( 23.636 0.000 -2.955) 23.820 14.758 ( 6.618 0.000 12.044) 13.742 16.007 ( 0.269 0.000 -3.299) 3.310 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 15.206 0.000 9.631) 18.000 0.744 ( 15.928 0.000 16.786) 23.140 1.183 ( 19.395 0.000 32.053) 37.464 1.931 ( -0.333 0.000 -2.767) 2.787 1.955 ( 1.247 0.000 0.955) 1.570 2.247 ( -12.046 0.000 8.223) 14.585 2.418 ( 4.896 0.000 -0.402) 4.912 2.696 ( -15.433 0.000 1.497) 15.505 2.707 ( 8.226 0.000 3.141) 8.805 2.872 ( -2.932 0.000 -4.472) 5.348 2.966 ( 5.339 0.000 2.937) 6.093 3.027 ( 3.089 0.000 -0.944) 3.230 3.265 ( -2.987 0.000 -2.281) 3.759 3.315 ( -14.076 0.000 -2.147) 14.239 3.412 ( 2.648 0.000 7.483) 7.938 3.519 ( 0.260 0.000 -3.776) 3.785 3.722 ( 2.086 0.000 -10.782) 10.982 3.921 ( 5.595 0.000 -2.873) 6.289 4.205 ( 4.224 0.000 1.411) 4.453 4.352 ( -3.678 0.000 0.765) 3.756 4.426 ( -3.127 0.000 -4.158) 5.202 4.734 ( 3.086 0.000 -3.439) 4.621 5.097 ( -7.745 0.000 -0.362) 7.753 5.222 ( -7.485 0.000 2.401) 7.861 5.335 ( -3.146 0.000 -2.542) 4.045 5.540 ( -11.967 0.000 18.225) 21.802 5.761 ( -2.214 0.000 0.531) 2.277 6.064 ( 1.260 0.000 3.803) 4.006 6.233 ( 2.978 0.000 -1.054) 3.159 6.409 ( -3.820 0.000 4.612) 5.988 6.463 ( 4.187 0.000 4.233) 5.954 6.666 ( 33.270 0.000 -29.580) 44.519 6.700 ( -2.478 0.000 -2.982) 3.877 6.739 ( -0.176 0.000 1.434) 1.445 6.913 ( -4.731 0.000 2.538) 5.368 7.042 ( -7.390 0.000 -3.052) 7.995 7.227 ( 3.359 0.000 2.198) 4.014 7.375 ( 7.723 0.000 -3.393) 8.436 7.486 ( 17.423 0.000 -3.582) 17.787 7.971 ( 1.347 0.000 -0.656) 1.498 8.008 ( -20.026 0.000 16.429) 25.903 8.078 ( -1.117 0.000 0.090) 1.121 8.463 ( -0.959 0.000 -3.495) 3.625 8.481 ( -3.100 0.000 -0.190) 3.105 8.518 ( 1.628 0.000 -7.927) 8.092 8.840 ( 3.708 0.000 4.807) 6.070 9.230 ( 1.054 0.000 -1.420) 1.769 9.319 ( 0.259 0.000 -2.569) 2.582 11.838 ( -1.222 0.000 1.894) 2.254 11.949 ( -0.843 0.000 1.209) 1.473 12.014 ( 0.665 0.000 0.518) 0.843 12.257 ( -6.086 0.000 6.524) 8.922 12.895 ( -1.748 0.000 1.650) 2.403 12.914 ( 0.859 0.000 -3.657) 3.756 13.159 ( -1.086 0.000 6.578) 6.667 13.926 ( 5.433 0.000 -7.435) 9.208 14.267 ( 1.370 0.000 0.886) 1.632 14.656 ( -0.846 0.000 0.025) 0.847 14.997 ( 3.128 0.000 -1.867) 3.643 16.001 ( 0.328 0.000 -3.530) 3.545 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 21.233 0.000 1.900) 21.318 1.165 ( 18.830 0.000 9.217) 20.964 1.679 ( 11.006 0.000 13.990) 17.800 1.854 ( -2.271 0.000 0.366) 2.300 1.920 ( -5.554 0.000 1.423) 5.734 2.100 ( -3.653 0.000 13.720) 14.198 2.369 ( -14.155 0.000 0.607) 14.168 2.555 ( 6.356 0.000 -0.441) 6.372 2.768 ( -2.701 0.000 -5.182) 5.843 2.881 ( 4.073 0.000 4.000) 5.709 3.037 ( -10.730 0.000 -1.353) 10.815 3.055 ( -0.032 0.000 -1.884) 1.884 3.065 ( 0.199 0.000 -1.040) 1.059 3.185 ( -0.619 0.000 2.627) 2.699 3.426 ( -2.737 0.000 6.716) 7.253 3.476 ( -4.342 0.000 -0.227) 4.348 3.828 ( 10.429 0.000 -11.334) 15.402 3.917 ( -0.591 0.000 -5.846) 5.876 4.257 ( -4.441 0.000 -0.728) 4.500 4.350 ( -3.562 0.000 -1.086) 3.724 4.403 ( 11.107 0.000 0.508) 11.119 4.760 ( 0.890 0.000 -4.004) 4.101 4.907 ( -10.286 0.000 2.711) 10.637 5.134 ( -2.662 0.000 -0.698) 2.752 5.284 ( -0.144 0.000 -4.357) 4.359 5.432 ( -5.141 0.000 13.975) 14.891 5.709 ( -2.869 0.000 1.857) 3.418 6.110 ( 1.369 0.000 4.188) 4.406 6.285 ( 1.341 0.000 0.850) 1.587 6.364 ( -1.908 0.000 3.077) 3.620 6.543 ( 1.787 0.000 3.302) 3.754 6.614 ( -4.107 0.000 -2.273) 4.694 6.734 ( -0.969 0.000 0.708) 1.200 6.837 ( -2.722 0.000 3.582) 4.499 6.914 ( -3.143 0.000 -3.431) 4.654 6.999 ( 10.618 0.000 -14.486) 17.960 7.325 ( 5.387 0.000 2.562) 5.965 7.519 ( 6.939 0.000 -3.645) 7.839 7.616 ( -7.080 0.000 11.287) 13.324 7.941 ( 8.870 0.000 -6.390) 10.932 7.982 ( -0.585 0.000 1.044) 1.197 8.079 ( 1.381 0.000 -1.707) 2.196 8.379 ( -4.461 0.000 -4.905) 6.630 8.425 ( -1.222 0.000 -3.383) 3.597 8.535 ( 1.818 0.000 -6.585) 6.831 8.923 ( 2.587 0.000 6.547) 7.039 9.206 ( -0.601 0.000 -6.118) 6.147 9.365 ( 2.806 0.000 1.617) 3.238 11.824 ( -0.786 0.000 2.347) 2.475 11.931 ( -1.178 0.000 1.301) 1.755 12.033 ( 0.779 0.000 0.613) 0.991 12.253 ( 1.693 0.000 3.768) 4.131 12.883 ( 0.138 0.000 -1.482) 1.488 12.906 ( -0.103 0.000 -4.181) 4.182 13.164 ( -0.839 0.000 6.775) 6.826 13.980 ( 2.229 0.000 -2.354) 3.242 14.303 ( 1.433 0.000 0.783) 1.633 14.631 ( -0.773 0.000 -3.651) 3.731 14.976 ( -3.648 0.000 3.572) 5.106 15.998 ( 0.611 0.000 -3.411) 3.465 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 6.735 0.000 -3.455) 7.569 1.465 ( -1.179 0.000 6.000) 6.115 1.502 ( -5.545 0.000 7.772) 9.547 1.778 ( -0.868 0.000 4.427) 4.511 1.998 ( 1.229 0.000 2.473) 2.762 2.142 ( -5.497 0.000 18.847) 19.633 2.198 ( -1.653 0.000 -2.955) 3.386 2.589 ( -2.944 0.000 -4.851) 5.674 2.738 ( 3.939 0.000 -1.665) 4.277 2.835 ( -2.529 0.000 -0.483) 2.575 2.994 ( -0.057 0.000 2.324) 2.325 2.996 ( -1.462 0.000 -3.502) 3.795 3.030 ( -1.843 0.000 -3.511) 3.965 3.256 ( 2.266 0.000 7.124) 7.476 3.378 ( -2.554 0.000 -0.092) 2.556 3.406 ( -0.625 0.000 5.933) 5.966 3.932 ( 4.005 0.000 -5.200) 6.563 4.019 ( 11.081 0.000 -9.097) 14.337 4.182 ( -1.840 0.000 -2.452) 3.065 4.254 ( -6.019 0.000 0.804) 6.072 4.544 ( -1.738 0.000 -5.725) 5.983 4.759 ( 0.692 0.000 -4.042) 4.101 4.769 ( -0.871 0.000 8.438) 8.483 5.071 ( -2.606 0.000 -2.023) 3.299 5.297 ( 2.521 0.000 -4.501) 5.159 5.412 ( -1.531 0.000 10.937) 11.043 5.674 ( -0.919 0.000 3.047) 3.183 6.133 ( -0.837 0.000 4.200) 4.282 6.277 ( -2.311 0.000 0.887) 2.476 6.348 ( -0.789 0.000 2.704) 2.817 6.511 ( -4.530 0.000 -3.532) 5.744 6.571 ( 0.802 0.000 -1.325) 1.549 6.724 ( 0.113 0.000 1.150) 1.156 6.811 ( -0.995 0.000 3.427) 3.569 6.904 ( 2.590 0.000 -1.422) 2.955 7.118 ( 5.228 0.000 -4.968) 7.212 7.395 ( -2.564 0.000 3.145) 4.058 7.529 ( -1.455 0.000 5.552) 5.740 7.604 ( 1.693 0.000 -3.204) 3.624 7.964 ( -1.187 0.000 1.495) 1.909 8.025 ( -0.883 0.000 -1.681) 1.899 8.106 ( 1.522 0.000 -1.167) 1.917 8.333 ( 3.902 0.000 -9.886) 10.628 8.406 ( 0.754 0.000 -3.212) 3.299 8.550 ( 1.907 0.000 -5.733) 6.042 9.001 ( 2.488 0.000 8.487) 8.844 9.183 ( 0.508 0.000 -6.706) 6.726 9.415 ( 1.156 0.000 2.633) 2.876 11.823 ( -0.245 0.000 2.707) 2.718 11.918 ( -0.394 0.000 1.262) 1.322 12.044 ( 0.038 0.000 0.743) 0.744 12.325 ( 3.563 0.000 6.146) 7.104 12.883 ( 0.438 0.000 -2.827) 2.861 12.887 ( -0.012 0.000 -5.394) 5.394 13.171 ( -0.985 0.000 7.334) 7.400 14.017 ( 1.831 0.000 1.280) 2.234 14.321 ( -0.094 0.000 0.693) 0.699 14.596 ( -0.544 0.000 -9.991) 10.006 14.901 ( -5.011 0.000 5.566) 7.489 16.001 ( 0.840 0.000 -3.056) 3.169 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -20.826 0.000 6.974) 21.963 1.154 ( -22.649 0.000 9.263) 24.470 1.708 ( -10.957 0.000 9.168) 14.286 1.889 ( -1.007 0.000 11.938) 11.981 1.906 ( 2.675 0.000 0.281) 2.690 2.027 ( -0.975 0.000 4.186) 4.298 2.272 ( 9.888 0.000 -4.384) 10.816 2.489 ( -1.977 0.000 -3.284) 3.833 2.794 ( -5.478 0.000 0.745) 5.528 2.838 ( 3.605 0.000 -3.964) 5.358 2.939 ( -4.497 0.000 -3.598) 5.760 3.003 ( 1.651 0.000 -2.392) 2.907 3.081 ( 11.841 0.000 1.225) 11.904 3.302 ( 0.388 0.000 3.744) 3.764 3.406 ( 3.651 0.000 0.251) 3.659 3.426 ( -0.542 0.000 5.856) 5.881 4.019 ( 4.950 0.000 -4.968) 7.013 4.091 ( -7.103 0.000 -1.497) 7.259 4.175 ( 1.838 0.000 -1.017) 2.100 4.233 ( 9.571 0.000 -3.989) 10.369 4.350 ( -11.486 0.000 -0.855) 11.518 4.751 ( -0.411 0.000 -4.736) 4.754 4.803 ( -1.956 0.000 -1.369) 2.388 5.082 ( 4.513 0.000 3.994) 6.026 5.342 ( 2.875 0.000 -1.983) 3.492 5.425 ( -0.859 0.000 7.374) 7.424 5.700 ( 2.144 0.000 2.620) 3.385 6.108 ( -2.674 0.000 3.824) 4.666 6.221 ( -2.380 0.000 -1.068) 2.608 6.340 ( -1.364 0.000 3.383) 3.648 6.406 ( -3.725 0.000 -5.116) 6.329 6.585 ( 1.337 0.000 -2.102) 2.491 6.750 ( 1.934 0.000 -0.165) 1.941 6.824 ( 1.300 0.000 2.640) 2.943 6.984 ( 4.979 0.000 0.002) 4.979 7.185 ( 1.631 0.000 -1.323) 2.100 7.289 ( -5.881 0.000 -1.694) 6.121 7.482 ( -7.630 0.000 4.462) 8.839 7.554 ( -5.163 0.000 -2.185) 5.607 7.954 ( -0.262 0.000 0.591) 0.647 8.027 ( 4.725 0.000 -1.159) 4.865 8.129 ( 0.714 0.000 0.452) 0.845 8.413 ( 5.236 0.000 -7.052) 8.783 8.430 ( 2.391 0.000 -3.069) 3.891 8.578 ( 2.613 0.000 -4.142) 4.897 9.087 ( 2.839 0.000 8.969) 9.408 9.172 ( 0.392 0.000 -5.585) 5.599 9.430 ( -0.540 0.000 2.315) 2.377 11.833 ( 0.302 0.000 2.811) 2.827 11.924 ( 0.505 0.000 0.994) 1.115 12.038 ( -0.859 0.000 0.831) 1.195 12.463 ( 7.506 0.000 12.866) 14.895 12.873 ( 0.761 0.000 -6.164) 6.210 12.878 ( 0.140 0.000 -3.285) 3.288 13.175 ( -1.292 0.000 7.718) 7.826 14.071 ( 2.586 0.000 4.076) 4.827 14.304 ( -1.624 0.000 0.718) 1.775 14.510 ( -3.852 0.000 -21.512) 21.854 14.815 ( -5.380 0.000 7.962) 9.609 16.008 ( 0.772 0.000 -2.827) 2.930 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -18.290 0.000 17.036) 24.995 0.726 ( -21.642 0.000 16.944) 27.486 1.201 ( -32.132 0.000 29.397) 43.550 1.884 ( -1.271 0.000 -3.052) 3.306 1.947 ( -1.304 0.000 1.829) 2.246 2.211 ( 13.392 0.000 2.072) 13.552 2.391 ( 1.113 0.000 -1.350) 1.749 2.612 ( 12.681 0.000 -0.759) 12.703 2.630 ( -8.546 0.000 -0.430) 8.557 2.844 ( -1.927 0.000 -5.477) 5.806 2.907 ( 3.299 0.000 -3.071) 4.507 3.058 ( 4.049 0.000 0.161) 4.052 3.274 ( -5.097 0.000 2.177) 5.543 3.369 ( 14.171 0.000 1.478) 14.248 3.412 ( -2.087 0.000 4.206) 4.695 3.477 ( 2.939 0.000 -1.516) 3.307 3.928 ( -7.332 0.000 -1.068) 7.409 3.964 ( -10.966 0.000 -5.391) 12.220 4.214 ( 2.237 0.000 -0.179) 2.244 4.256 ( 3.853 0.000 4.923) 6.251 4.412 ( 8.203 0.000 -4.314) 9.268 4.702 ( -2.143 0.000 -5.336) 5.750 4.744 ( 0.567 0.000 5.324) 5.354 5.204 ( 3.926 0.000 3.037) 4.964 5.394 ( 1.927 0.000 0.403) 1.969 5.420 ( -1.701 0.000 4.381) 4.699 5.756 ( 2.134 0.000 0.984) 2.350 6.064 ( -2.562 0.000 3.574) 4.397 6.189 ( -0.025 0.000 -2.439) 2.440 6.298 ( -4.677 0.000 2.672) 5.386 6.338 ( -0.933 0.000 -3.158) 3.293 6.620 ( 2.947 0.000 -2.966) 4.181 6.783 ( 0.976 0.000 -0.327) 1.029 6.881 ( 2.443 0.000 0.476) 2.489 7.054 ( -11.821 0.000 -6.964) 13.720 7.099 ( 6.120 0.000 -0.582) 6.147 7.242 ( 0.121 0.000 -1.107) 1.114 7.280 ( -11.107 0.000 2.359) 11.355 7.404 ( -8.044 0.000 -1.822) 8.248 7.949 ( -0.241 0.000 -0.491) 0.547 8.135 ( -0.704 0.000 2.020) 2.139 8.207 ( 11.174 0.000 0.713) 11.196 8.467 ( 1.969 0.000 -3.211) 3.767 8.474 ( 2.529 0.000 -4.557) 5.212 8.632 ( 3.521 0.000 -0.368) 3.540 9.158 ( -0.395 0.000 1.702) 1.747 9.163 ( 0.687 0.000 -3.635) 3.699 9.411 ( -1.763 0.000 0.608) 1.865 11.851 ( 0.271 0.000 2.470) 2.485 11.941 ( 0.632 0.000 0.871) 1.076 12.020 ( -1.034 0.000 0.759) 1.283 12.774 ( 12.463 0.000 6.052) 13.855 12.877 ( 1.716 0.000 -5.837) 6.084 12.908 ( 11.723 0.000 11.815) 16.644 13.172 ( -1.650 0.000 7.638) 7.814 14.144 ( -19.026 0.000 -28.519) 34.283 14.184 ( -0.050 0.000 -1.525) 1.525 14.269 ( -1.696 0.000 0.849) 1.897 14.750 ( -3.946 0.000 10.423) 11.145 16.011 ( 0.484 0.000 -2.951) 2.990 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.724 17.539 11.927) 21.222 0.727 ( -5.444 21.269 13.340) 25.690 1.370 ( -5.888 34.781 30.039) 46.333 1.939 ( 3.177 3.341 -0.798) 4.679 2.056 ( 0.178 10.325 -0.511) 10.339 2.377 ( -0.614 -0.286 -0.094) 0.684 2.412 ( -5.642 -0.134 -0.277) 5.651 2.508 ( 7.521 -1.523 3.824) 8.573 2.750 ( 3.428 -7.178 -1.391) 8.076 2.850 ( 7.767 -0.459 -0.295) 7.787 2.893 ( 1.191 -2.565 -3.587) 4.567 2.973 ( -9.124 -7.236 0.136) 11.646 3.182 ( 3.368 -2.763 2.141) 4.854 3.345 ( -4.589 -0.939 1.937) 5.069 3.546 ( -5.383 1.139 -3.789) 6.680 3.648 ( 6.707 -2.943 -4.852) 8.786 3.700 ( -3.564 3.977 -4.910) 7.254 3.852 ( -0.466 4.191 2.701) 5.007 4.124 ( -0.382 -5.695 -0.724) 5.753 4.288 ( 2.123 -5.417 3.666) 6.877 4.452 ( 0.495 -3.834 -3.824) 5.438 4.835 ( 0.886 9.006 -5.013) 10.345 4.944 ( 13.881 -12.148 16.746) 24.914 5.125 ( -2.942 -6.630 2.872) 7.801 5.283 ( -1.419 -5.120 2.670) 5.946 5.467 ( -2.399 3.040 -2.584) 4.655 5.721 ( 1.131 -5.262 0.741) 5.433 6.010 ( -1.661 -0.535 4.095) 4.452 6.049 ( -4.703 -0.886 3.834) 6.132 6.198 ( 2.414 0.016 -2.156) 3.237 6.498 ( 6.187 4.505 -1.299) 7.763 6.562 ( -0.266 0.810 0.718) 1.114 6.729 ( -0.813 -0.848 -0.783) 1.412 6.922 ( -0.028 -9.772 -1.876) 9.950 7.004 ( -1.955 0.682 -0.870) 2.246 7.063 ( -4.043 1.174 2.566) 4.930 7.184 ( -0.448 1.676 -0.958) 1.982 7.348 ( 3.646 9.944 -6.856) 12.617 7.514 ( 1.593 12.868 -1.633) 13.068 7.939 ( 0.456 -0.527 -1.078) 1.284 8.110 ( -2.976 0.237 1.104) 3.183 8.388 ( 4.408 -0.990 -2.928) 5.383 8.438 ( -1.819 -4.704 0.532) 5.071 8.490 ( 0.290 0.103 -2.528) 2.546 8.646 ( -13.055 -0.581 3.932) 13.646 8.692 ( 3.425 -1.731 2.857) 4.784 9.345 ( -4.089 3.108 -6.122) 7.992 9.418 ( 0.074 4.242 -4.815) 6.418 11.925 ( -0.233 1.133 -2.047) 2.352 11.985 ( 1.572 1.385 -0.911) 2.285 12.005 ( 0.777 2.808 -2.466) 3.817 12.553 ( -17.471 -5.477 -2.955) 18.547 12.749 ( -1.725 -5.712 4.537) 7.495 13.026 ( 0.251 2.431 -3.347) 4.144 13.320 ( 6.694 -0.460 6.464) 9.317 13.789 ( -0.196 7.665 -11.435) 13.768 14.050 ( 0.478 -7.605 5.094) 9.166 14.531 ( 4.278 -4.508 6.453) 8.959 15.033 ( 6.281 15.543 0.759) 16.781 15.985 ( -0.707 -2.434 -2.959) 3.897 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 5.926 16.712 9.836) 20.277 0.825 ( 14.300 12.516 10.190) 21.564 1.580 ( 13.013 28.822 23.813) 39.587 1.980 ( -0.623 3.179 -0.644) 3.302 2.072 ( 1.381 10.490 -2.698) 10.919 2.231 ( -10.163 -0.428 8.506) 13.260 2.402 ( 3.922 -1.410 -0.428) 4.189 2.666 ( -11.670 -2.177 -0.137) 11.872 2.698 ( 4.182 -1.421 2.913) 5.291 2.859 ( 5.256 -8.357 1.686) 10.015 2.893 ( -0.559 1.309 -3.138) 3.446 3.006 ( 5.180 -1.468 0.290) 5.391 3.211 ( -5.770 -2.466 -2.642) 6.808 3.291 ( -1.511 -4.586 2.588) 5.479 3.371 ( -4.499 -0.874 0.787) 4.650 3.596 ( -4.377 -1.359 -10.760) 11.696 3.678 ( 2.539 2.532 -5.258) 6.364 3.977 ( 2.297 3.379 1.539) 4.366 4.162 ( 7.446 -3.207 1.616) 8.267 4.297 ( -2.021 -4.307 2.232) 5.255 4.424 ( -1.668 -1.795 -3.612) 4.365 4.800 ( -2.382 2.424 -5.087) 6.118 5.028 ( -6.057 -2.152 2.994) 7.091 5.146 ( -0.645 -9.331 11.781) 15.043 5.261 ( -1.728 -9.450 4.439) 10.583 5.406 ( -1.718 3.611 -3.573) 5.363 5.758 ( -1.093 -3.936 2.401) 4.738 6.020 ( 0.347 -3.488 1.754) 3.920 6.158 ( 13.211 -7.959 0.357) 15.427 6.246 ( 2.498 0.733 0.207) 2.611 6.509 ( -2.964 5.234 1.689) 6.248 6.618 ( 1.448 -1.444 2.876) 3.529 6.693 ( -1.326 -0.214 -2.699) 3.015 6.864 ( -4.297 -8.199 -1.681) 9.408 6.946 ( -0.676 0.281 -5.342) 5.392 7.014 ( -1.727 1.900 3.356) 4.226 7.257 ( 5.904 5.091 -1.331) 7.908 7.446 ( 6.687 3.926 -5.896) 9.742 7.592 ( 4.947 6.337 1.218) 8.131 7.944 ( -0.116 -0.467 -1.262) 1.350 8.021 ( -3.620 0.505 0.052) 3.655 8.302 ( -8.611 12.789 4.278) 16.000 8.416 ( -0.853 -4.916 -3.030) 5.837 8.487 ( 0.170 1.995 -3.311) 3.869 8.519 ( 0.471 0.873 -5.054) 5.150 8.785 ( 3.562 -3.429 5.066) 7.079 9.267 ( -1.553 2.406 -4.005) 4.924 9.393 ( 0.076 4.428 -3.721) 5.784 11.905 ( -0.942 1.737 -1.675) 2.591 12.001 ( -0.857 5.249 -3.318) 6.268 12.003 ( 0.622 -0.026 0.246) 0.670 12.275 ( -6.393 1.665 5.392) 8.527 12.740 ( -0.166 -5.620 0.212) 5.626 13.024 ( 0.489 2.621 -2.906) 3.944 13.335 ( -3.004 12.141 5.115) 13.513 13.876 ( 6.315 -5.192 -9.001) 12.160 14.102 ( 2.197 -9.746 6.717) 12.039 14.582 ( -0.086 -6.937 0.184) 6.940 15.105 ( -0.743 10.504 3.886) 11.224 15.986 ( 1.685 -1.787 -4.122) 4.798 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 15.878 6.153 3.232) 17.332 1.200 ( 17.412 6.028 7.498) 19.893 1.798 ( -6.435 2.338 8.482) 10.900 1.879 ( -8.771 9.292 3.186) 13.169 2.108 ( 5.758 9.901 4.415) 12.275 2.150 ( -1.767 7.173 6.040) 9.542 2.413 ( -4.475 5.550 2.588) 7.585 2.527 ( 5.206 -1.206 -1.170) 5.471 2.800 ( 0.448 0.472 -0.046) 0.652 2.874 ( 0.214 0.111 -0.611) 0.657 2.909 ( -1.268 -8.428 -2.577) 8.904 3.036 ( -4.632 -1.442 -1.506) 5.079 3.106 ( 0.838 2.900 2.617) 3.995 3.219 ( -1.727 2.838 1.967) 3.860 3.364 ( -1.592 -4.101 4.548) 6.328 3.513 ( 0.166 -3.916 -8.132) 9.027 3.715 ( 0.999 0.071 -3.057) 3.216 3.965 ( 1.097 -0.790 -3.093) 3.375 4.240 ( -3.248 -2.061 0.081) 3.847 4.356 ( -1.221 -0.592 -1.373) 1.930 4.382 ( 7.462 -2.276 -0.617) 7.826 4.722 ( -2.983 -3.981 -2.113) 5.405 4.926 ( -4.749 3.393 3.232) 6.672 5.120 ( -2.906 -1.098 -0.719) 3.189 5.241 ( -1.634 -8.131 6.295) 10.412 5.380 ( 0.368 1.898 -1.271) 2.313 5.710 ( -3.500 -1.296 3.433) 5.071 6.054 ( 1.662 -4.583 2.682) 5.564 6.288 ( 0.620 0.253 2.024) 2.132 6.369 ( 4.029 -3.418 2.846) 6.002 6.485 ( 2.064 -0.769 -1.141) 2.481 6.578 ( -4.209 -1.989 2.831) 5.448 6.658 ( -2.265 -2.481 -1.757) 3.791 6.791 ( -1.237 -5.609 -2.759) 6.371 6.908 ( -2.306 1.638 1.763) 3.334 7.031 ( 2.830 -1.764 -2.139) 3.961 7.400 ( 8.101 7.377 -2.827) 11.315 7.535 ( 3.113 -0.021 -2.731) 4.141 7.634 ( -2.932 0.648 7.817) 8.374 7.958 ( 2.603 1.712 -3.768) 4.889 8.003 ( 1.336 -0.079 -1.757) 2.209 8.172 ( -5.701 6.823 1.250) 8.979 8.381 ( 0.417 1.436 -8.378) 8.511 8.473 ( -0.241 4.016 -3.190) 5.135 8.529 ( 1.625 0.030 -4.114) 4.423 8.866 ( 2.236 -4.023 6.968) 8.351 9.236 ( -0.013 2.427 -5.271) 5.803 9.408 ( 1.790 2.766 -0.545) 3.339 11.883 ( -0.460 3.129 -0.849) 3.275 11.957 ( -2.094 3.796 0.287) 4.345 12.023 ( 0.889 -0.760 0.653) 1.340 12.262 ( 1.508 0.691 3.625) 3.986 12.742 ( 0.543 -5.281 -1.745) 5.588 13.022 ( 0.212 1.948 -2.547) 3.213 13.285 ( -3.092 10.879 2.664) 11.620 13.946 ( 2.742 -3.190 -1.904) 4.617 14.176 ( 2.499 -9.566 6.131) 11.634 14.553 ( -1.265 -9.000 -6.249) 11.029 15.067 ( -4.003 10.860 7.006) 13.529 16.007 ( 1.686 -0.102 -4.342) 4.659 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 10.231 -0.550 -1.612) 10.371 1.414 ( -9.786 0.264 2.144) 10.022 1.662 ( -3.835 2.508 10.941) 11.861 1.684 ( 0.714 7.638 8.576) 11.506 2.116 ( -1.249 0.087 0.331) 1.295 2.157 ( -0.304 9.536 1.115) 9.606 2.484 ( -4.823 16.777 4.666) 18.069 2.565 ( 0.326 -0.633 -3.328) 3.403 2.734 ( 0.094 -1.032 -1.956) 2.214 2.832 ( -0.926 0.267 -2.262) 2.458 2.925 ( -1.001 -6.488 -0.959) 6.634 2.971 ( 0.789 0.617 2.019) 2.254 3.098 ( -1.940 5.463 -0.613) 5.829 3.246 ( 0.324 -0.936 5.584) 5.671 3.368 ( 1.991 0.128 2.890) 3.512 3.496 ( -0.552 4.984 0.320) 5.024 3.742 ( 4.877 -8.149 -2.608) 9.849 4.020 ( 3.451 -6.140 -6.027) 9.271 4.191 ( -1.727 -0.642 -0.391) 1.883 4.279 ( -1.853 1.729 -2.255) 3.392 4.470 ( -1.679 -5.958 -3.845) 7.287 4.718 ( 2.902 -2.553 3.591) 5.276 4.858 ( -2.388 6.390 1.936) 7.091 5.037 ( -3.866 -2.792 -2.749) 5.504 5.252 ( 1.071 -4.240 2.320) 4.951 5.409 ( 2.104 0.502 0.973) 2.371 5.668 ( -1.353 -0.320 3.933) 4.172 6.085 ( -0.104 -4.178 3.486) 5.442 6.270 ( -2.933 -0.444 1.435) 3.295 6.384 ( -0.939 2.883 2.952) 4.232 6.492 ( -2.965 -2.459 -2.982) 4.872 6.536 ( -0.569 -2.676 -1.331) 3.042 6.632 ( 1.102 -5.057 1.619) 5.423 6.793 ( 1.836 -5.002 -1.680) 5.587 6.881 ( -0.776 2.538 2.774) 3.839 7.099 ( 3.880 -3.950 -0.516) 5.560 7.487 ( -2.600 6.031 0.792) 6.615 7.548 ( 0.477 -0.221 -0.743) 0.910 7.639 ( 3.372 4.364 0.305) 5.524 7.921 ( -5.865 -0.432 3.062) 6.631 8.064 ( 3.510 -2.532 -3.323) 5.456 8.082 ( -1.221 2.289 -2.048) 3.305 8.395 ( 3.688 3.436 -10.249) 11.421 8.458 ( 0.060 4.873 -2.586) 5.517 8.554 ( 2.079 0.947 -3.337) 4.044 8.928 ( 0.897 -5.075 8.290) 9.761 9.231 ( 1.555 3.450 -5.172) 6.408 9.443 ( 1.192 1.828 1.007) 2.403 11.882 ( 0.510 4.240 -0.636) 4.318 11.927 ( -0.994 1.538 1.397) 2.303 12.037 ( 0.082 -0.582 0.774) 0.972 12.330 ( 3.503 0.313 5.568) 6.586 12.748 ( 0.777 -4.773 -2.830) 5.603 13.017 ( 0.322 2.292 -3.176) 3.930 13.231 ( -2.729 6.607 1.256) 7.257 13.985 ( 1.003 -2.105 2.746) 3.603 14.242 ( 1.490 -5.995 7.668) 9.847 14.491 ( -1.588 -12.135 -13.072) 17.907 15.006 ( -4.246 12.472 7.225) 15.026 16.023 ( 1.262 0.748 -3.853) 4.123 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -19.583 2.561 6.684) 20.850 1.179 ( -17.645 8.222 6.351) 20.476 1.807 ( 7.096 5.725 7.538) 11.830 1.883 ( 7.394 1.305 5.125) 9.091 2.062 ( -10.096 8.432 5.047) 14.089 2.129 ( -0.931 9.339 -0.744) 9.414 2.350 ( -0.077 7.013 0.204) 7.017 2.485 ( -1.568 1.025 -2.475) 3.104 2.753 ( -3.061 -2.598 -0.450) 4.040 2.824 ( 0.690 -0.440 -3.353) 3.452 2.850 ( -3.919 -7.241 -3.818) 9.076 3.045 ( -1.436 1.681 -0.802) 2.352 3.106 ( 9.823 2.754 1.598) 10.326 3.264 ( 0.350 -2.244 4.113) 4.698 3.435 ( 1.127 2.183 5.069) 5.633 3.523 ( 2.992 7.841 -0.912) 8.442 3.876 ( 7.019 -8.189 -0.729) 10.810 3.999 ( -3.921 -8.415 -3.669) 9.983 4.148 ( 0.248 -2.025 -1.643) 2.619 4.311 ( -4.748 0.372 -2.574) 5.414 4.343 ( 0.263 0.337 -1.586) 1.642 4.780 ( -0.211 -2.684 0.548) 2.747 4.834 ( -0.047 7.638 -3.090) 8.239 5.000 ( 1.748 -6.305 3.638) 7.486 5.288 ( 1.264 -3.581 1.861) 4.229 5.455 ( 1.800 1.172 0.962) 2.354 5.688 ( 1.574 -0.467 3.157) 3.558 6.076 ( -1.552 -2.983 3.447) 4.815 6.199 ( -3.432 -1.573 -0.657) 3.832 6.359 ( -3.974 0.617 2.828) 4.916 6.420 ( -1.684 1.267 -4.054) 4.569 6.517 ( 0.175 -3.683 -1.012) 3.823 6.678 ( 2.410 -4.290 0.171) 4.924 6.835 ( 2.375 -3.941 -0.257) 4.609 6.905 ( 2.084 -0.069 2.245) 3.064 7.169 ( 2.066 -5.516 1.966) 6.210 7.395 ( -4.443 6.469 -2.397) 8.206 7.511 ( -5.440 2.265 0.839) 5.952 7.621 ( -6.115 6.436 1.876) 9.074 7.887 ( 3.830 -1.834 -2.623) 4.991 8.080 ( 1.899 0.407 -1.050) 2.208 8.132 ( 3.559 1.688 -1.088) 4.086 8.425 ( 2.135 -0.475 -7.464) 7.778 8.472 ( 1.869 4.358 -2.283) 5.262 8.589 ( 2.289 1.060 -2.676) 3.678 8.944 ( -2.509 -7.627 6.964) 10.628 9.274 ( 4.144 4.782 -2.134) 6.678 9.456 ( -0.304 1.699 0.473) 1.789 11.898 ( 1.441 5.060 -1.280) 5.415 11.925 ( 0.241 0.304 1.284) 1.341 12.031 ( -0.895 -0.541 0.849) 1.346 12.457 ( 6.512 -0.654 10.632) 12.485 12.750 ( 0.396 -4.550 -2.801) 5.358 13.013 ( 0.775 3.968 -4.858) 6.321 13.184 ( -2.222 1.581 0.725) 2.822 14.007 ( -0.372 -2.891 5.651) 6.358 14.289 ( -0.736 0.605 8.396) 8.450 14.384 ( -2.709 -15.136 -18.607) 24.138 14.952 ( -2.948 14.300 5.798) 15.710 16.030 ( 0.584 0.475 -3.510) 3.589 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -14.968 10.947 10.207) 21.167 0.871 ( -13.859 15.872 12.922) 24.718 1.605 ( -21.976 27.379 22.988) 41.964 1.921 ( -1.175 3.326 -3.102) 4.698 2.055 ( 0.726 8.893 1.745) 9.092 2.225 ( 11.845 1.506 1.610) 12.048 2.388 ( 1.314 -0.512 -0.348) 1.452 2.565 ( 0.797 -1.573 -2.623) 3.160 2.666 ( 3.087 0.493 0.695) 3.202 2.756 ( -2.764 -6.735 -4.088) 8.349 2.858 ( 3.008 -3.272 -4.108) 6.052 3.039 ( 0.482 -3.027 0.619) 3.127 3.207 ( -2.632 -3.932 0.508) 4.759 3.396 ( 12.066 1.503 2.872) 12.494 3.420 ( -3.767 1.737 5.410) 6.817 3.581 ( 2.855 7.612 -5.141) 9.619 3.852 ( -7.297 -6.705 -0.650) 9.931 3.962 ( -3.152 -1.077 -4.159) 5.329 4.133 ( -2.838 -4.776 -0.320) 5.565 4.205 ( 3.325 -2.812 3.166) 5.384 4.421 ( 3.483 -1.712 -2.982) 4.894 4.746 ( -0.226 -0.085 4.148) 4.155 4.836 ( 1.160 9.976 -4.818) 11.139 5.094 ( 3.765 -8.937 5.075) 10.945 5.301 ( -0.948 -4.099 2.880) 5.098 5.486 ( 0.743 2.061 0.003) 2.191 5.722 ( 0.358 -2.985 0.800) 3.111 6.057 ( -2.231 -0.643 3.812) 4.464 6.145 ( -1.452 -3.133 0.096) 3.455 6.228 ( -7.796 -2.409 1.080) 8.231 6.412 ( 2.168 3.285 -2.927) 4.905 6.542 ( 1.929 -1.156 -0.767) 2.376 6.722 ( 1.650 -2.879 -0.670) 3.386 6.890 ( 2.885 -5.911 -0.648) 6.610 6.965 ( 2.688 -0.654 2.747) 3.899 7.162 ( -3.843 -6.167 0.654) 7.296 7.315 ( -6.407 3.853 -4.525) 8.739 7.337 ( -4.033 9.205 1.480) 10.158 7.536 ( -2.366 10.157 -2.120) 10.642 7.935 ( 0.881 -0.246 -1.336) 1.619 8.120 ( 1.000 -1.154 1.504) 2.143 8.249 ( 8.272 3.238 -2.406) 9.204 8.442 ( 1.512 -2.249 -4.389) 5.158 8.492 ( 0.518 0.971 -1.598) 1.940 8.629 ( 2.235 -0.285 -0.530) 2.314 8.861 ( -7.908 -9.719 5.577) 13.715 9.375 ( 5.266 4.676 -2.552) 7.490 9.430 ( -2.139 1.564 -2.110) 3.388 11.925 ( 1.211 3.155 -2.793) 4.384 11.944 ( 1.655 1.982 0.537) 2.637 12.013 ( -0.937 -0.300 0.524) 1.115 12.671 ( 7.414 -7.621 8.334) 13.509 12.748 ( 0.193 -4.477 2.346) 5.058 13.022 ( 2.108 3.971 -4.636) 6.458 13.148 ( 0.148 -1.323 0.309) 1.367 13.999 ( -5.292 -1.023 8.932) 10.432 14.107 ( -9.609 -4.932 -20.634) 23.290 14.403 ( 4.124 -1.838 6.829) 8.187 14.942 ( 0.930 16.570 3.267) 16.914 16.018 ( -0.683 -0.981 -3.406) 3.610 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.849 23.632 0.068) 23.647 1.196 ( -2.479 21.683 7.200) 22.981 1.985 ( 1.810 0.985 0.017) 2.061 2.061 ( -1.236 19.709 14.596) 24.556 2.282 ( 0.606 7.565 -2.367) 7.950 2.390 ( -2.300 1.741 2.732) 3.973 2.416 ( -3.176 4.695 0.839) 5.730 2.488 ( 7.519 2.120 0.672) 7.841 2.593 ( 0.796 -4.177 1.739) 4.594 2.754 ( 0.897 -8.158 0.381) 8.216 2.864 ( 1.754 0.582 -1.239) 2.225 2.906 ( 0.964 1.240 -0.541) 1.661 3.139 ( 0.333 -0.521 -0.623) 0.878 3.338 ( -6.119 -1.731 -3.902) 7.461 3.495 ( -2.417 -6.204 -0.391) 6.670 3.538 ( -3.985 -2.136 -4.459) 6.350 3.818 ( 6.439 2.185 -5.345) 8.649 3.890 ( -2.858 -3.088 -1.327) 4.412 4.054 ( 1.114 0.908 4.818) 5.028 4.199 ( 0.767 -1.753 5.730) 6.041 4.355 ( 0.353 -4.729 -0.136) 4.744 4.730 ( -1.009 -11.695 7.057) 13.696 4.872 ( 1.998 -3.018 0.422) 3.644 5.033 ( 1.198 -5.010 2.935) 5.928 5.321 ( -1.521 8.812 -0.182) 8.944 5.526 ( 0.793 2.623 -4.264) 5.068 5.609 ( -1.477 -3.287 1.046) 3.752 5.997 ( -0.921 -0.629 2.440) 2.683 6.020 ( -5.466 -1.872 1.656) 6.010 6.170 ( 3.492 -3.226 -1.300) 4.929 6.532 ( 4.210 0.284 -0.349) 4.234 6.602 ( 0.989 -0.747 -1.131) 1.678 6.715 ( -0.394 -5.259 1.127) 5.393 6.765 ( 0.524 4.674 0.718) 4.758 6.934 ( -3.327 -7.421 0.570) 8.153 7.068 ( 1.233 0.722 2.855) 3.193 7.275 ( -0.379 5.154 -1.099) 5.283 7.489 ( 0.677 2.589 -0.957) 2.842 7.720 ( -0.929 8.097 0.749) 8.184 7.945 ( -0.158 1.206 -1.831) 2.198 8.115 ( -1.731 -0.032 0.447) 1.788 8.351 ( -4.277 -2.188 -0.758) 4.864 8.404 ( 4.129 1.675 -2.464) 5.091 8.500 ( 2.698 0.337 -4.354) 5.133 8.588 ( 1.081 -3.522 4.760) 6.019 8.708 ( -2.020 0.583 -0.526) 2.168 9.389 ( -2.845 1.693 -4.358) 5.472 9.459 ( 0.464 0.216 -3.618) 3.654 11.930 ( -0.566 0.100 -0.071) 0.579 11.967 ( -0.079 -1.067 0.757) 1.311 12.101 ( 2.924 4.233 -7.116) 8.781 12.446 ( -4.834 -5.694 -7.021) 10.251 12.707 ( -2.900 1.877 7.072) 7.870 13.058 ( 1.248 -1.586 0.587) 2.102 13.281 ( 7.985 0.797 0.447) 8.037 13.791 ( -1.473 -8.320 -15.925) 18.027 14.083 ( -3.825 9.422 10.803) 14.835 14.457 ( 0.374 -2.404 11.495) 11.750 15.323 ( 2.654 12.227 -0.608) 12.527 15.901 ( -0.607 -5.518 -2.460) 6.072 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 4.136 20.973 4.325) 21.810 1.201 ( 4.284 19.825 3.155) 20.526 2.027 ( -1.813 2.153 1.170) 3.049 2.107 ( 0.319 5.060 5.164) 7.237 2.202 ( -5.970 4.595 3.915) 8.491 2.379 ( -0.430 8.971 4.283) 9.950 2.411 ( 4.158 9.683 5.150) 11.729 2.602 ( 1.391 -1.623 -3.737) 4.305 2.661 ( 3.082 -0.288 1.408) 3.401 2.705 ( 0.036 -3.766 3.078) 4.864 2.942 ( 2.393 2.921 1.813) 4.188 2.977 ( 6.783 -0.020 0.476) 6.800 3.160 ( -1.021 -3.034 -1.994) 3.772 3.199 ( -3.237 -3.738 -4.107) 6.428 3.354 ( -4.796 -0.065 -4.648) 6.680 3.505 ( -1.836 -4.323 -4.344) 6.398 3.740 ( -3.195 -0.259 -8.461) 9.048 4.038 ( 1.731 1.539 6.879) 7.258 4.081 ( 6.293 -3.927 1.138) 7.505 4.209 ( -1.340 -3.192 4.525) 5.698 4.359 ( -0.694 -3.320 -0.023) 3.392 4.662 ( -5.557 -12.104 2.765) 13.602 4.961 ( 3.440 -5.353 7.278) 9.667 5.042 ( -1.293 -3.087 1.687) 3.749 5.263 ( -3.511 8.485 -2.106) 9.421 5.496 ( -0.593 5.153 -5.160) 7.316 5.638 ( 1.540 -5.964 1.851) 6.432 5.944 ( -1.489 -3.530 -0.973) 3.953 6.071 ( 6.893 -1.903 1.337) 7.275 6.234 ( 3.060 -2.582 0.118) 4.006 6.572 ( -1.110 -0.675 -0.610) 1.436 6.588 ( -2.344 -1.851 2.658) 3.998 6.691 ( -1.765 -5.417 1.052) 5.793 6.757 ( -1.999 7.209 1.454) 7.621 6.871 ( -1.870 -5.929 -1.056) 6.306 7.061 ( -2.383 1.990 4.655) 5.595 7.352 ( 6.736 3.011 -1.442) 7.518 7.512 ( 2.243 1.005 -2.642) 3.609 7.706 ( -1.198 6.012 1.929) 6.427 7.950 ( 1.334 0.637 -4.335) 4.580 8.040 ( -3.281 1.458 -0.472) 3.621 8.301 ( -1.560 -4.781 -1.102) 5.148 8.482 ( 2.631 4.555 -0.316) 5.270 8.515 ( -0.805 0.295 -2.161) 2.325 8.576 ( -0.518 3.088 -1.417) 3.437 8.726 ( 2.776 -1.850 2.179) 3.984 9.323 ( -1.538 2.789 -4.584) 5.582 9.444 ( -0.098 0.430 -3.946) 3.971 11.918 ( -0.373 0.435 -0.254) 0.627 11.979 ( 0.880 -1.187 0.620) 1.603 12.122 ( 1.209 4.355 -8.193) 9.357 12.310 ( -5.020 0.608 -1.116) 5.179 12.684 ( -1.014 0.974 3.213) 3.507 13.051 ( -1.228 -0.671 -1.399) 1.979 13.463 ( 6.217 -0.977 4.042) 7.480 13.728 ( 1.474 -7.666 -13.278) 15.403 14.045 ( -3.298 5.479 10.356) 12.172 14.462 ( -3.132 -4.105 7.759) 9.320 15.356 ( 0.210 11.974 1.553) 12.076 15.916 ( 2.758 -4.918 -3.652) 6.718 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 6.025 15.603 3.625) 17.114 1.413 ( 11.919 12.998 1.655) 17.713 1.872 ( -12.237 5.758 2.619) 13.775 2.018 ( -5.158 1.811 6.105) 8.195 2.188 ( -4.932 0.315 0.266) 4.949 2.329 ( -1.958 -1.805 2.571) 3.702 2.506 ( 4.655 11.373 -1.656) 12.400 2.662 ( -0.145 -4.723 -2.823) 5.505 2.749 ( 5.304 3.944 7.372) 9.901 2.763 ( 3.824 2.988 1.718) 5.148 2.949 ( -1.649 2.298 0.490) 2.870 3.008 ( -2.805 0.377 -5.304) 6.012 3.176 ( 5.295 3.846 1.525) 6.719 3.232 ( 4.315 -4.787 0.765) 6.490 3.311 ( 0.173 0.699 -0.424) 0.835 3.414 ( -2.030 1.503 -5.768) 6.297 3.725 ( 3.328 -4.696 -5.523) 7.977 3.972 ( -7.108 4.793 6.633) 10.839 4.172 ( -0.986 -4.055 1.996) 4.626 4.276 ( 6.024 -7.316 -0.184) 9.479 4.299 ( -4.641 -4.788 -1.069) 6.753 4.589 ( -2.220 -8.922 6.023) 10.991 4.985 ( -2.253 -1.856 0.800) 3.027 5.059 ( 1.942 -5.007 4.785) 7.193 5.178 ( -3.175 7.740 -2.877) 8.847 5.466 ( -0.551 4.861 -5.995) 7.738 5.655 ( -0.254 -3.044 3.264) 4.470 5.945 ( 1.242 -5.432 0.615) 5.607 6.241 ( 6.369 -3.893 1.920) 7.708 6.297 ( 3.543 -2.204 0.001) 4.173 6.499 ( -4.474 -1.177 0.047) 4.626 6.532 ( -3.481 -2.449 0.798) 4.331 6.664 ( -1.562 -1.375 2.066) 2.933 6.701 ( -2.814 3.272 0.440) 4.338 6.866 ( 1.504 -5.234 -0.419) 5.462 7.022 ( -3.023 0.997 5.030) 5.953 7.484 ( 4.662 -0.707 -1.793) 5.045 7.566 ( 4.820 1.134 -2.440) 5.520 7.672 ( -2.609 5.910 1.683) 6.676 7.960 ( 2.393 -1.551 -7.078) 7.631 8.025 ( 0.666 2.420 0.697) 2.605 8.230 ( -5.729 -0.641 1.368) 5.925 8.427 ( -2.290 1.468 -3.778) 4.655 8.547 ( 1.986 1.417 -0.890) 2.597 8.600 ( 2.245 6.682 -4.952) 8.614 8.791 ( 2.027 -2.592 4.940) 5.936 9.297 ( 0.523 3.208 -4.447) 5.508 9.442 ( 1.095 0.195 -2.332) 2.584 11.916 ( 0.261 1.051 -0.195) 1.100 12.003 ( 1.070 -1.093 0.643) 1.659 12.080 ( -1.993 5.902 -6.216) 8.800 12.273 ( 0.784 -0.051 1.118) 1.366 12.684 ( 0.256 0.379 0.779) 0.904 13.016 ( -1.485 -2.051 -0.729) 2.635 13.482 ( -2.845 4.967 -6.017) 8.304 13.810 ( 7.381 -11.934 0.649) 14.047 14.022 ( -2.198 1.137 7.981) 8.356 14.402 ( -4.315 -4.397 4.891) 7.866 15.349 ( -1.361 13.900 2.361) 14.165 15.963 ( 2.761 -4.275 -4.206) 6.602 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 3.191 8.632 3.197) 9.742 1.544 ( -4.604 10.610 -3.321) 12.033 1.747 ( 5.569 6.625 7.154) 11.228 1.913 ( -6.905 9.993 10.485) 16.046 2.095 ( -0.166 -1.614 -3.042) 3.448 2.317 ( -0.932 -2.409 -1.358) 2.919 2.539 ( -2.584 5.397 -3.483) 6.924 2.604 ( -2.569 -5.672 -4.020) 7.412 2.757 ( -1.159 -3.252 -3.406) 4.850 2.800 ( -1.667 1.565 -0.538) 2.349 2.959 ( -1.193 5.618 1.123) 5.852 3.011 ( 3.446 2.717 4.723) 6.447 3.217 ( -1.546 -0.551 2.199) 2.744 3.244 ( -1.021 10.351 -1.800) 10.556 3.398 ( 6.647 -0.868 4.528) 8.089 3.510 ( 8.487 3.180 0.720) 9.092 3.753 ( -0.454 2.253 -1.568) 2.783 3.851 ( -3.918 -4.061 0.544) 5.669 4.141 ( -4.577 -3.947 0.181) 6.046 4.235 ( 2.410 -4.816 0.722) 5.434 4.329 ( -0.725 -7.703 -2.246) 8.056 4.601 ( -0.045 -9.115 9.155) 12.919 4.943 ( -1.702 -1.388 -1.585) 2.708 5.044 ( -3.352 2.431 -1.215) 4.315 5.182 ( 3.325 2.361 1.601) 4.382 5.443 ( 0.766 2.323 -5.455) 5.978 5.670 ( 0.623 0.599 3.829) 3.926 5.975 ( 0.752 -5.941 2.054) 6.331 6.257 ( -3.232 -0.572 1.505) 3.610 6.390 ( 1.921 -4.892 1.323) 5.420 6.431 ( -2.405 -0.586 0.029) 2.475 6.476 ( -0.443 -3.035 -1.622) 3.470 6.627 ( -1.592 4.398 1.103) 4.805 6.687 ( 0.896 -3.750 0.464) 3.883 6.914 ( 2.256 -2.377 0.846) 3.384 6.983 ( -1.653 -4.114 4.169) 6.086 7.507 ( -0.304 -0.244 -2.070) 2.106 7.596 ( -3.336 0.373 2.129) 3.975 7.729 ( 9.134 5.092 -5.864) 11.989 7.975 ( -5.148 1.939 4.809) 7.306 8.021 ( 1.543 1.195 -3.197) 3.746 8.136 ( -0.532 2.837 -2.242) 3.654 8.398 ( 0.682 -1.711 -6.348) 6.610 8.571 ( 0.441 0.056 -0.032) 0.445 8.611 ( 0.599 6.925 -4.515) 8.289 8.836 ( 0.184 -2.930 5.385) 6.133 9.309 ( 2.082 3.746 -3.652) 5.631 9.464 ( 1.274 -0.095 -0.832) 1.524 11.926 ( 0.546 1.267 0.133) 1.386 12.013 ( -0.537 1.227 -0.790) 1.555 12.036 ( -0.031 3.884 -2.985) 4.899 12.321 ( 3.161 -1.751 1.601) 3.953 12.695 ( 0.488 0.217 0.032) 0.535 12.994 ( -0.414 -3.331 0.090) 3.358 13.374 ( -4.256 5.033 -9.009) 11.163 13.963 ( 5.421 -16.107 1.442) 17.056 14.007 ( -1.292 3.243 8.185) 8.898 14.338 ( -3.215 -2.250 4.747) 6.159 15.322 ( -1.886 15.433 1.502) 15.621 15.991 ( 1.258 -4.133 -3.896) 5.818 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -9.789 16.394 3.635) 19.437 1.428 ( -8.875 13.966 1.738) 16.638 1.933 ( 5.697 3.056 3.236) 7.229 1.943 ( 8.292 7.118 6.673) 12.804 2.147 ( 4.346 1.199 0.030) 4.508 2.261 ( -3.315 -3.446 -3.841) 6.133 2.416 ( -5.292 2.323 -2.867) 6.452 2.561 ( -0.075 -3.461 -2.103) 4.051 2.712 ( -3.242 1.261 -0.660) 3.541 2.780 ( -0.471 2.837 -2.409) 3.752 2.884 ( -5.087 6.220 3.687) 8.840 3.036 ( -4.079 0.823 -3.489) 5.430 3.180 ( -2.145 2.727 -0.835) 3.569 3.250 ( 4.005 2.782 7.602) 9.031 3.514 ( 1.450 3.585 6.345) 7.430 3.668 ( 5.382 4.124 -1.568) 6.959 3.771 ( -1.084 -10.339 -5.781) 11.895 3.808 ( 3.698 2.821 4.386) 6.393 4.055 ( -2.156 -6.867 -3.052) 7.817 4.250 ( -5.627 -5.215 0.199) 7.674 4.326 ( 3.689 -2.029 0.502) 4.240 4.640 ( 0.839 -10.813 8.757) 13.939 4.892 ( -2.405 -2.145 -2.101) 3.847 4.994 ( -0.545 2.960 -0.913) 3.145 5.264 ( 3.554 3.775 1.421) 5.376 5.460 ( 2.182 -0.081 -3.632) 4.238 5.695 ( -0.042 1.111 2.770) 2.985 5.996 ( 1.294 -4.242 2.000) 4.865 6.175 ( -4.593 -0.515 0.493) 4.648 6.332 ( -6.932 -3.119 2.438) 7.983 6.407 ( 1.048 -1.355 -2.848) 3.324 6.509 ( 2.654 -0.780 -0.940) 2.922 6.633 ( 1.838 1.746 0.043) 2.535 6.718 ( 1.464 -3.807 1.158) 4.240 6.943 ( 1.036 0.229 1.479) 1.820 6.998 ( 0.576 -8.749 3.565) 9.465 7.477 ( -2.063 2.231 -2.967) 4.247 7.525 ( -3.859 -0.392 0.941) 3.991 7.820 ( -6.067 11.215 4.976) 13.688 7.897 ( 5.599 1.816 -3.910) 7.066 8.064 ( 2.336 -1.079 -2.139) 3.346 8.182 ( 4.953 2.212 -2.031) 5.792 8.394 ( 1.052 -1.999 -6.213) 6.611 8.568 ( -0.642 -0.233 0.626) 0.927 8.596 ( -1.033 2.673 -2.981) 4.135 8.823 ( -2.989 -3.371 3.477) 5.691 9.360 ( 3.600 3.472 -1.428) 5.201 9.477 ( 0.073 0.075 -1.214) 1.219 11.933 ( 0.037 0.835 0.802) 1.159 11.999 ( -0.446 1.326 -1.321) 1.924 12.039 ( 1.224 3.592 -3.385) 5.085 12.411 ( 4.810 -4.342 1.801) 6.726 12.702 ( -0.044 0.618 2.163) 2.250 12.999 ( 0.729 -4.084 0.073) 4.149 13.261 ( -3.144 5.255 -9.277) 11.116 13.955 ( -1.876 -12.085 -4.473) 13.022 14.091 ( 2.225 -0.249 7.663) 7.984 14.318 ( -0.686 1.062 9.236) 9.322 15.289 ( -1.335 15.796 0.088) 15.853 15.985 ( -0.570 -4.876 -3.372) 5.955 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -5.324 22.917 -0.211) 23.528 1.258 ( -7.243 19.221 7.687) 21.931 1.972 ( 0.349 2.760 -0.235) 2.792 2.109 ( -6.420 10.472 7.722) 14.509 2.213 ( 11.163 4.000 3.742) 12.435 2.279 ( 4.178 2.652 -1.850) 5.283 2.361 ( 0.861 -1.236 0.337) 1.543 2.549 ( -3.364 -5.014 -2.753) 6.636 2.653 ( -1.880 9.547 2.092) 9.952 2.705 ( -3.758 1.117 2.607) 4.708 2.841 ( 1.270 3.443 -4.218) 5.591 2.937 ( -2.827 -4.749 -1.455) 5.716 3.156 ( -0.806 -0.921 -1.119) 1.659 3.395 ( 6.223 -1.992 2.332) 6.937 3.483 ( -5.091 3.820 4.508) 7.800 3.669 ( -4.185 -9.924 -1.734) 10.909 3.738 ( 1.808 5.639 -6.353) 8.685 3.943 ( 4.033 0.481 2.205) 4.622 4.014 ( -1.113 -7.344 -3.393) 8.166 4.167 ( -1.354 -0.883 5.033) 5.286 4.358 ( -0.159 -3.281 -0.102) 3.287 4.689 ( 0.849 -8.175 7.881) 11.386 4.862 ( 0.336 -4.677 -2.214) 5.186 5.000 ( 0.767 -1.569 1.517) 2.314 5.322 ( 1.333 6.921 1.122) 7.137 5.497 ( 2.237 -0.683 -2.411) 3.359 5.669 ( -2.806 -0.356 0.170) 2.834 6.040 ( -1.274 -0.987 4.073) 4.380 6.098 ( -0.352 -1.929 0.542) 2.035 6.175 ( -7.749 -3.098 0.351) 8.353 6.445 ( 3.891 0.769 -3.023) 4.987 6.564 ( 2.783 -0.616 -1.272) 3.121 6.686 ( 2.695 -0.412 -0.124) 2.729 6.746 ( 0.857 -1.958 1.203) 2.452 6.976 ( -0.331 -7.962 3.162) 8.573 7.013 ( 1.562 -0.597 0.911) 1.904 7.367 ( -6.543 2.720 -0.974) 7.153 7.487 ( -0.443 3.095 0.220) 3.134 7.745 ( -2.237 10.243 1.951) 10.664 7.956 ( 0.717 1.881 -2.115) 2.920 8.101 ( 1.779 -0.454 -0.123) 1.840 8.304 ( 6.376 0.675 -1.978) 6.710 8.409 ( 2.430 0.201 -5.227) 5.767 8.519 ( -5.040 0.395 -1.489) 5.270 8.564 ( -0.359 -4.391 2.106) 4.883 8.762 ( -3.055 -1.495 1.027) 3.553 9.428 ( 2.421 1.467 -0.354) 2.853 9.455 ( -1.040 0.563 -3.930) 4.104 11.935 ( -0.092 0.262 0.642) 0.699 11.979 ( -1.070 -0.509 0.250) 1.211 12.065 ( 2.756 4.689 -6.042) 8.130 12.497 ( 2.366 -8.733 -4.140) 9.950 12.718 ( -0.408 1.647 8.211) 8.385 13.015 ( 1.042 -3.986 0.943) 4.226 13.202 ( 1.042 6.382 -7.308) 9.758 13.883 ( -2.234 -12.275 -11.632) 17.058 14.115 ( -2.182 7.207 8.071) 11.039 14.379 ( 2.068 -0.044 13.189) 13.351 15.281 ( 1.050 14.653 -1.018) 14.726 15.945 ( -2.084 -5.762 -2.717) 6.703 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.117 21.163 -2.218) 21.279 1.613 ( -1.343 17.346 4.077) 17.869 1.889 ( 0.528 -9.651 1.395) 9.765 1.970 ( -0.695 -15.993 -1.578) 16.086 2.360 ( -0.492 2.776 -3.275) 4.321 2.409 ( 1.334 -0.943 -1.122) 1.982 2.483 ( 5.896 0.670 4.868) 7.675 2.535 ( 3.438 -4.540 3.179) 6.522 2.695 ( 0.573 8.217 0.911) 8.287 2.839 ( 3.736 -3.956 0.664) 5.481 2.932 ( -3.852 16.190 2.694) 16.859 3.017 ( -0.786 14.167 1.995) 14.328 3.110 ( -0.746 -5.645 -3.998) 6.957 3.237 ( -3.794 -2.714 -3.121) 5.612 3.474 ( -3.206 -2.015 -4.444) 5.839 3.517 ( -6.288 4.177 -2.447) 7.936 3.683 ( 4.534 -11.152 4.931) 13.009 3.752 ( 0.392 -8.735 -6.475) 10.880 4.131 ( 0.632 5.320 7.222) 8.993 4.251 ( 0.275 -5.415 4.066) 6.777 4.268 ( -0.735 7.118 4.402) 8.401 4.462 ( -2.434 -11.378 5.600) 12.913 4.859 ( 1.726 1.316 1.105) 2.436 4.921 ( 0.866 -4.500 1.358) 4.779 5.438 ( -0.476 2.421 0.011) 2.468 5.489 ( 1.160 -3.019 -0.113) 3.236 5.751 ( -2.383 11.887 -5.423) 13.281 5.951 ( -5.080 -5.308 -3.954) 8.344 5.999 ( -0.454 0.750 3.217) 3.335 6.062 ( 2.958 -5.654 1.120) 6.478 6.533 ( 2.310 0.159 -0.510) 2.371 6.555 ( 1.219 -1.985 -1.097) 2.574 6.683 ( -1.035 2.060 3.523) 4.210 6.777 ( -1.838 -6.419 3.157) 7.386 6.916 ( 2.877 7.372 -0.750) 7.949 7.040 ( 2.573 -3.829 0.267) 4.621 7.376 ( -0.944 4.508 0.080) 4.606 7.465 ( -1.137 -3.552 2.442) 4.458 7.904 ( -2.430 7.738 -1.411) 8.232 7.972 ( -1.286 0.482 -2.026) 2.448 8.123 ( -0.641 2.132 1.924) 2.943 8.249 ( -3.072 -7.633 1.452) 8.355 8.457 ( 4.758 2.555 -4.238) 6.865 8.495 ( 3.702 -0.986 -4.403) 5.836 8.587 ( 0.286 3.517 2.290) 4.207 8.675 ( -1.132 -3.548 0.118) 3.726 9.421 ( -1.493 1.413 -3.830) 4.347 9.448 ( -0.284 -1.030 -3.319) 3.487 11.935 ( -0.519 0.441 0.442) 0.812 11.948 ( -0.337 -0.754 0.639) 1.045 12.194 ( 1.940 4.882 -6.921) 8.689 12.314 ( 0.086 -6.312 -7.340) 9.681 12.803 ( -1.513 6.372 6.214) 9.028 12.950 ( 0.959 -6.977 4.975) 8.623 13.389 ( 2.931 8.036 -6.702) 10.867 13.585 ( 0.673 -10.069 -10.521) 14.578 14.278 ( -3.083 7.896 10.257) 13.306 14.400 ( -1.560 -3.784 11.250) 11.972 15.559 ( 1.254 10.199 -1.498) 10.385 15.754 ( 0.218 -8.199 -2.078) 8.461 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 4.465 19.233 -1.246) 19.784 1.604 ( -0.542 17.821 2.960) 18.073 1.931 ( 1.225 -11.196 1.083) 11.315 1.968 ( 2.163 -13.446 -1.836) 13.742 2.247 ( -8.710 3.763 -0.412) 9.497 2.350 ( -5.820 -5.156 0.158) 7.778 2.577 ( 2.734 1.324 6.493) 7.169 2.618 ( 1.752 -2.865 4.889) 5.931 2.759 ( 3.975 12.468 -1.133) 13.135 2.884 ( 0.515 8.668 3.667) 9.426 2.966 ( 4.407 -1.418 1.720) 4.939 3.018 ( -2.557 -7.006 -0.520) 7.476 3.117 ( 3.072 6.785 -5.360) 9.176 3.170 ( 0.620 4.954 -4.053) 6.430 3.380 ( -2.371 -0.743 -5.602) 6.129 3.435 ( 0.566 0.415 -1.533) 1.686 3.702 ( -1.609 -1.025 -4.200) 4.613 3.852 ( 7.877 -13.005 -0.398) 15.210 4.138 ( -2.056 4.477 8.566) 9.882 4.199 ( -3.699 0.920 5.912) 7.034 4.303 ( -1.122 -1.214 3.338) 3.725 4.403 ( -4.561 -10.381 6.129) 12.890 4.910 ( 2.024 0.153 2.069) 2.899 4.954 ( 1.453 -3.705 0.791) 4.057 5.420 ( -1.171 5.164 -1.132) 5.414 5.518 ( 1.342 -4.574 -0.567) 4.801 5.673 ( -2.167 10.013 -4.685) 11.265 5.853 ( -2.832 -5.993 -3.692) 7.587 6.063 ( 5.296 1.431 0.862) 5.554 6.139 ( 4.309 -5.295 -0.177) 6.829 6.540 ( -1.902 -1.324 0.972) 2.513 6.543 ( -2.113 -1.335 -0.495) 2.548 6.665 ( -1.713 1.968 3.596) 4.442 6.745 ( -1.912 -5.263 2.364) 6.078 6.931 ( -1.871 7.903 2.532) 8.507 7.055 ( -1.946 -3.179 3.644) 5.213 7.406 ( 3.797 2.782 -1.556) 4.958 7.474 ( 1.651 -3.332 0.912) 3.829 7.860 ( -1.144 6.862 -3.479) 7.778 7.947 ( -0.298 -1.512 -5.259) 5.480 8.091 ( -1.931 3.683 1.212) 4.332 8.196 ( -1.749 -5.445 0.709) 5.763 8.514 ( 0.314 0.388 -1.186) 1.287 8.527 ( 0.656 -0.395 -0.978) 1.242 8.636 ( 3.753 3.335 1.148) 5.150 8.695 ( 2.934 -1.895 -0.507) 3.530 9.380 ( -0.788 2.545 -4.464) 5.199 9.427 ( -0.200 -1.734 -4.062) 4.421 11.932 ( 0.165 0.891 0.157) 0.920 11.954 ( 0.692 -1.144 0.413) 1.400 12.201 ( 1.030 3.563 -6.983) 7.906 12.277 ( -1.050 -3.239 -5.993) 6.893 12.785 ( -1.897 7.709 4.940) 9.350 12.961 ( -1.459 -7.576 3.086) 8.310 13.455 ( 4.850 2.635 -2.765) 6.173 13.566 ( 0.884 -7.115 -9.379) 11.806 14.224 ( -5.088 8.850 9.846) 14.183 14.374 ( -4.351 -5.149 9.635) 11.760 15.591 ( 1.903 10.087 -0.754) 10.293 15.780 ( 2.754 -7.775 -2.435) 8.600 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.844 17.741 1.988) 17.947 1.714 ( 6.685 14.378 -0.793) 15.875 1.941 ( -0.556 -8.132 1.260) 8.248 2.003 ( -1.015 -3.851 -1.844) 4.389 2.072 ( -5.058 -1.267 1.178) 5.346 2.217 ( -6.439 -7.263 1.205) 9.781 2.580 ( -4.672 1.185 0.181) 4.824 2.653 ( -0.067 -4.271 3.468) 5.502 2.808 ( 0.664 11.139 -0.323) 11.163 2.920 ( -0.357 -2.081 -0.920) 2.303 2.983 ( 1.285 7.432 2.814) 8.050 3.030 ( -0.328 1.839 -4.268) 4.659 3.095 ( 4.626 -5.558 0.889) 7.286 3.217 ( 0.345 -6.453 -5.572) 8.533 3.440 ( 7.778 8.480 -0.270) 11.510 3.493 ( 3.398 2.400 -0.865) 4.249 3.685 ( 3.147 8.092 -1.920) 8.892 3.996 ( 5.630 -14.687 -1.260) 15.779 4.103 ( -5.104 5.425 6.671) 9.999 4.155 ( -1.815 -0.748 6.047) 6.357 4.220 ( -6.863 -1.185 1.971) 7.238 4.358 ( -2.436 -11.320 10.017) 15.310 4.941 ( 0.428 -0.278 0.366) 0.628 4.977 ( 0.667 -3.120 0.458) 3.223 5.380 ( -1.553 8.790 -3.267) 9.506 5.513 ( -1.084 -3.077 -4.535) 5.587 5.661 ( 1.570 5.926 0.249) 6.135 5.817 ( 0.209 -7.077 -1.207) 7.182 6.194 ( 6.266 -0.270 0.491) 6.291 6.230 ( 4.163 -3.282 -0.402) 5.316 6.469 ( -4.221 -0.819 0.771) 4.369 6.479 ( -3.950 -1.865 0.128) 4.370 6.650 ( -0.572 1.743 2.874) 3.409 6.725 ( -0.797 -4.543 1.827) 4.961 6.875 ( -3.861 7.041 3.814) 8.890 6.998 ( -4.572 -3.748 4.775) 7.599 7.487 ( 3.664 1.344 -1.796) 4.296 7.532 ( 3.221 -2.535 0.112) 4.100 7.827 ( -0.359 6.398 -4.945) 8.094 7.918 ( 0.353 -2.599 -6.580) 7.084 8.089 ( 1.147 3.770 0.522) 3.975 8.178 ( -0.390 -3.964 0.464) 4.011 8.466 ( -3.730 2.737 1.075) 4.750 8.532 ( -0.812 -2.733 1.411) 3.182 8.715 ( 3.287 3.693 -2.849) 5.706 8.760 ( 2.980 -1.000 -0.113) 3.145 9.365 ( 0.830 3.048 -3.915) 5.031 9.420 ( 0.974 -2.030 -3.234) 3.940 11.943 ( 0.769 1.524 0.175) 1.716 11.976 ( 1.132 -1.486 0.449) 1.922 12.180 ( -0.540 3.705 -7.198) 8.114 12.246 ( 0.137 -2.440 -4.348) 4.987 12.768 ( -1.184 6.928 3.443) 7.826 12.926 ( -2.293 -6.617 1.657) 7.197 13.513 ( 0.260 0.416 -6.079) 6.098 13.580 ( 3.792 -7.122 -2.710) 8.512 14.163 ( -3.756 8.529 9.955) 13.637 14.312 ( -4.154 -5.247 8.791) 11.049 15.620 ( 1.014 11.461 -0.801) 11.534 15.829 ( 2.464 -8.226 -2.850) 9.047 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 2.581 16.498 2.919) 16.952 1.808 ( -1.740 12.748 -3.785) 13.412 1.887 ( 1.740 4.500 5.017) 6.960 2.008 ( 3.060 -5.831 -1.285) 6.709 2.041 ( -1.600 -2.267 1.641) 3.224 2.125 ( -2.499 -10.019 1.320) 10.410 2.478 ( -3.627 -1.839 -4.801) 6.292 2.547 ( -7.480 -5.698 -4.541) 10.442 2.834 ( 0.483 4.580 0.939) 4.700 2.858 ( -3.528 2.901 -4.110) 6.144 2.969 ( 0.272 4.533 -4.878) 6.665 3.109 ( 4.025 2.332 6.402) 7.914 3.160 ( -0.001 -2.484 1.350) 2.827 3.291 ( 7.646 -8.542 1.499) 11.562 3.513 ( 1.021 9.210 0.591) 9.285 3.590 ( 3.573 -0.288 0.724) 3.657 3.790 ( 4.262 11.389 -0.405) 12.168 3.964 ( -6.713 6.131 2.363) 9.394 4.036 ( -5.769 -5.790 -2.332) 8.499 4.106 ( -0.071 -10.211 2.679) 10.557 4.194 ( 2.157 1.100 7.021) 7.427 4.361 ( -1.168 -12.008 11.309) 16.536 4.930 ( -1.137 0.922 -1.394) 2.022 4.985 ( -0.342 -3.960 0.307) 3.986 5.359 ( 1.049 8.753 -3.317) 9.420 5.469 ( -0.675 -1.291 -5.446) 5.638 5.711 ( 2.369 4.085 1.980) 5.121 5.838 ( 1.645 -6.900 0.582) 7.118 6.257 ( -1.352 0.838 0.820) 1.790 6.301 ( 1.457 -3.283 1.401) 3.855 6.400 ( -2.606 -0.927 -0.763) 2.869 6.417 ( -0.021 -2.182 -0.051) 2.183 6.662 ( 0.478 1.491 2.068) 2.593 6.713 ( -0.891 -0.340 1.130) 1.478 6.839 ( -0.328 1.050 3.118) 3.307 6.922 ( -3.468 -3.844 3.163) 6.067 7.526 ( 0.663 1.662 -1.102) 2.101 7.566 ( -0.730 -2.051 0.123) 2.180 7.846 ( 4.751 5.336 -5.840) 9.228 7.938 ( 3.417 -3.205 -3.953) 6.130 8.112 ( -0.329 4.319 1.981) 4.763 8.174 ( -0.033 -0.682 0.159) 0.701 8.395 ( -2.488 2.978 -1.322) 4.100 8.502 ( -2.442 -5.463 1.634) 6.203 8.739 ( 0.161 4.450 -3.483) 5.654 8.799 ( 0.522 -1.549 -0.609) 1.744 9.384 ( 2.035 3.211 -2.620) 4.617 9.440 ( 1.616 -2.026 -1.834) 3.175 11.958 ( 0.370 1.783 0.591) 1.914 11.994 ( 0.197 -1.467 0.755) 1.662 12.148 ( 0.339 5.123 -6.828) 8.543 12.251 ( 1.870 -4.467 -4.524) 6.627 12.761 ( -0.536 5.541 2.964) 6.306 12.892 ( -1.276 -6.012 1.658) 6.365 13.465 ( -1.737 5.134 -7.536) 9.283 13.639 ( 2.052 -11.938 -3.051) 12.492 14.155 ( -0.540 7.682 11.123) 13.529 14.283 ( -1.668 -4.032 9.412) 10.374 15.622 ( -0.487 12.657 -1.413) 12.745 15.851 ( 0.553 -8.890 -2.985) 9.394 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -4.050 18.528 3.216) 19.236 1.740 ( -3.721 14.898 -1.731) 15.453 1.953 ( 0.236 -4.231 2.965) 5.172 2.042 ( 1.019 -8.947 -3.019) 9.497 2.086 ( 3.438 0.205 2.938) 4.527 2.143 ( 6.367 -1.768 0.508) 6.627 2.394 ( -3.461 -2.886 -5.318) 6.970 2.427 ( -0.056 -4.439 -3.595) 5.712 2.786 ( -2.448 2.210 -3.501) 4.810 2.826 ( -0.396 -1.330 -2.906) 3.220 2.967 ( 1.132 8.185 -1.308) 8.366 3.117 ( -2.589 -2.467 1.534) 3.891 3.253 ( 5.416 7.303 6.139) 10.971 3.397 ( -4.516 3.312 2.510) 6.137 3.469 ( -1.197 -2.342 0.194) 2.637 3.596 ( -3.173 -2.459 4.346) 5.916 3.822 ( -0.846 5.342 -3.082) 6.226 3.907 ( -4.176 -3.813 -4.767) 7.396 3.929 ( 2.718 5.954 4.724) 8.072 4.095 ( -1.059 -8.466 3.180) 9.105 4.293 ( 3.455 -0.151 5.109) 6.170 4.392 ( 0.528 -10.167 10.476) 14.608 4.892 ( -1.946 1.894 -1.433) 3.071 4.958 ( -1.956 -3.782 -0.435) 4.280 5.395 ( 2.643 5.334 -1.221) 6.077 5.457 ( 1.013 -0.891 -3.844) 4.074 5.756 ( 1.434 5.384 0.482) 5.593 5.892 ( 3.514 -6.024 0.262) 6.978 6.184 ( -5.315 1.571 1.437) 5.726 6.246 ( -6.090 -4.161 2.136) 7.679 6.404 ( 2.485 1.175 -1.698) 3.231 6.452 ( 2.730 -3.124 -0.896) 4.244 6.668 ( -0.238 2.000 2.435) 3.160 6.728 ( 2.138 -0.292 0.041) 2.158 6.846 ( -0.723 -1.144 3.466) 3.721 6.913 ( 1.985 -3.747 0.026) 4.240 7.510 ( -2.825 0.893 -0.682) 3.040 7.520 ( -1.978 -0.148 0.297) 2.006 7.952 ( 5.730 3.498 -3.934) 7.781 8.018 ( 4.588 -0.791 -0.284) 4.665 8.063 ( -4.671 7.996 3.184) 9.793 8.193 ( 1.526 -2.239 1.349) 3.027 8.370 ( 1.227 0.771 -4.809) 5.023 8.454 ( -2.083 -6.552 -0.582) 6.900 8.702 ( -2.627 4.608 -2.533) 5.878 8.775 ( -2.241 -2.340 -1.205) 3.457 9.422 ( 2.129 2.424 -1.423) 3.526 9.462 ( 0.832 -1.334 -1.550) 2.207 11.958 ( -0.619 1.406 1.020) 1.844 11.987 ( -1.100 -1.189 0.912) 1.858 12.151 ( 2.131 5.935 -7.145) 9.530 12.286 ( 2.954 -6.689 -5.388) 9.083 12.769 ( 0.061 4.975 4.435) 6.666 12.888 ( 0.094 -5.866 2.200) 6.266 13.406 ( -0.948 8.803 -7.930) 11.886 13.642 ( 0.229 -13.526 -6.693) 15.093 14.209 ( 1.290 6.440 11.914) 13.604 14.308 ( 0.326 -2.485 10.724) 11.013 15.594 ( -1.465 12.893 -1.991) 13.128 15.831 ( -1.374 -9.448 -2.841) 9.961 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.121 21.031 -2.739) 21.437 1.643 ( -4.028 16.480 4.248) 17.489 1.922 ( -3.396 -8.199 1.352) 8.977 1.995 ( -1.345 -14.715 -2.246) 14.946 2.266 ( 9.898 1.802 1.120) 10.123 2.297 ( 7.194 -0.878 -0.934) 7.307 2.375 ( 2.391 2.598 -0.649) 3.590 2.459 ( 3.079 -4.436 0.106) 5.401 2.723 ( -2.375 3.628 -1.649) 4.639 2.811 ( 0.169 -3.136 -3.098) 4.412 2.988 ( 0.213 8.011 -2.025) 8.265 3.071 ( -3.189 7.857 4.293) 9.505 3.184 ( -9.038 10.239 1.866) 13.784 3.341 ( -3.343 -1.760 0.916) 3.887 3.463 ( 2.669 -5.003 -1.806) 5.951 3.586 ( -0.257 -0.311 5.955) 5.969 3.713 ( -6.886 -6.486 -2.397) 9.758 3.808 ( -3.308 -7.020 -7.273) 10.636 4.049 ( 4.723 6.095 6.755) 10.251 4.150 ( 4.460 -1.847 4.227) 6.416 4.318 ( -2.155 1.202 3.603) 4.367 4.451 ( 1.031 -10.528 7.750) 13.113 4.851 ( -1.066 2.007 -0.853) 2.428 4.921 ( -1.228 -4.267 0.620) 4.484 5.434 ( 1.044 2.422 0.090) 2.639 5.471 ( 1.039 -1.544 -1.674) 2.503 5.777 ( 0.878 9.717 -2.648) 10.109 5.973 ( 4.003 -6.998 -1.083) 8.134 6.067 ( -5.955 0.375 1.742) 6.216 6.106 ( -7.582 -2.909 2.596) 8.526 6.467 ( 3.963 1.417 -1.890) 4.614 6.511 ( 3.141 -2.763 -1.511) 4.448 6.679 ( 0.106 2.126 3.167) 3.815 6.779 ( 1.421 -5.649 1.913) 6.131 6.856 ( 1.715 4.839 0.235) 5.140 6.972 ( 3.588 -4.274 -1.087) 5.685 7.431 ( -3.848 3.186 0.376) 5.010 7.490 ( -1.703 -1.951 1.588) 3.038 7.973 ( -4.299 9.143 1.676) 10.241 8.003 ( -0.170 2.312 -1.519) 2.771 8.098 ( 2.476 1.371 0.945) 2.984 8.248 ( 2.337 -7.225 3.706) 8.450 8.415 ( 4.609 -0.416 -5.953) 7.541 8.420 ( 0.124 -2.621 -3.942) 4.735 8.624 ( -3.618 5.049 -0.736) 6.255 8.718 ( -2.542 -3.321 -0.786) 4.255 9.450 ( 0.710 0.655 -1.436) 1.731 9.458 ( -0.377 -0.152 -2.850) 2.879 11.946 ( -0.742 0.725 0.911) 1.380 11.963 ( -1.269 -0.830 0.817) 1.722 12.174 ( 2.412 5.836 -7.204) 9.580 12.318 ( 1.982 -7.813 -6.867) 10.589 12.794 ( 0.149 4.963 6.431) 8.125 12.909 ( 0.984 -5.571 3.665) 6.741 13.377 ( 0.948 9.881 -8.155) 12.847 13.614 ( 0.108 -12.333 -9.547) 15.597 14.270 ( 0.063 6.396 11.050) 12.767 14.363 ( 0.721 -2.277 11.873) 12.111 15.560 ( -0.738 11.852 -2.087) 12.057 15.784 ( -1.915 -9.257 -2.397) 9.752 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -11.802 0.000 21.011) 24.099 0.970 ( -3.961 0.000 23.379) 23.712 1.611 ( -2.150 0.000 33.195) 33.265 1.861 ( 6.385 0.000 -3.628) 7.344 1.937 ( -3.832 0.000 2.589) 4.624 2.362 ( -2.168 0.000 -1.960) 2.923 2.440 ( 5.757 0.000 0.776) 5.809 2.642 ( 0.051 0.000 7.128) 7.128 2.766 ( 6.956 0.000 -1.754) 7.174 2.861 ( -1.476 0.000 -2.450) 2.860 2.896 ( 9.204 0.000 3.348) 9.794 3.063 ( -6.230 0.000 -1.822) 6.491 3.216 ( 0.603 0.000 -3.041) 3.100 3.368 ( 1.102 0.000 -7.800) 7.878 3.451 ( -2.782 0.000 4.169) 5.012 3.559 ( -12.661 0.000 -3.941) 13.261 3.737 ( -6.726 0.000 0.351) 6.735 3.755 ( 11.429 0.000 2.687) 11.741 4.168 ( -0.531 0.000 -1.576) 1.663 4.324 ( 1.050 0.000 -11.699) 11.746 4.365 ( 0.094 0.000 -2.965) 2.967 4.588 ( 3.660 0.000 -5.754) 6.819 5.271 ( -4.663 0.000 5.953) 7.562 5.347 ( 8.606 0.000 0.153) 8.608 5.394 ( -3.604 0.000 -0.321) 3.619 5.486 ( 16.434 0.000 4.387) 17.010 5.771 ( 0.061 0.000 -1.434) 1.435 6.103 ( 3.079 0.000 -6.715) 7.388 6.128 ( -0.932 0.000 5.573) 5.650 6.209 ( -12.602 0.000 8.044) 14.951 6.407 ( 6.740 0.000 2.007) 7.033 6.585 ( 2.350 0.000 -5.662) 6.131 6.641 ( -10.621 0.000 3.342) 11.134 6.791 ( 0.938 0.000 0.436) 1.034 7.081 ( -5.678 0.000 -0.799) 5.734 7.134 ( 8.453 0.000 3.596) 9.186 7.160 ( -2.333 0.000 -2.847) 3.681 7.192 ( -0.924 0.000 -2.724) 2.877 7.336 ( -0.633 0.000 7.852) 7.877 7.932 ( 0.064 0.000 -0.529) 0.533 8.145 ( -2.450 0.000 1.085) 2.679 8.320 ( 6.032 0.000 -6.151) 8.615 8.393 ( 0.369 0.000 -5.396) 5.408 8.400 ( 0.518 0.000 -2.421) 2.475 8.810 ( -0.942 0.000 6.054) 6.127 8.858 ( -14.763 0.000 3.660) 15.210 9.149 ( 4.527 0.000 -2.612) 5.227 9.305 ( -4.042 0.000 -4.185) 5.818 11.907 ( -1.244 0.000 3.752) 3.953 11.981 ( -0.010 0.000 1.769) 1.769 12.021 ( -0.362 0.000 0.765) 0.847 12.446 ( -7.569 0.000 -9.985) 12.529 12.835 ( 3.085 0.000 -1.902) 3.624 13.144 ( -18.653 0.000 -1.056) 18.683 13.297 ( -2.765 0.000 6.817) 7.356 13.552 ( 18.969 0.000 -4.905) 19.593 14.275 ( -0.175 0.000 1.571) 1.581 14.495 ( 7.038 0.000 -4.267) 8.231 15.020 ( 1.392 0.000 14.858) 14.923 15.914 ( 0.487 0.000 -6.572) 6.591 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.706 0.000 16.043) 16.270 1.094 ( 7.762 0.000 19.039) 20.561 1.808 ( 6.224 0.000 20.482) 21.407 1.886 ( -0.412 0.000 9.874) 9.883 1.952 ( 1.784 0.000 -1.626) 2.414 2.376 ( 5.481 0.000 -4.260) 6.942 2.439 ( -5.656 0.000 10.102) 11.577 2.727 ( 0.886 0.000 -2.974) 3.103 2.732 ( -14.393 0.000 2.425) 14.596 2.807 ( 2.739 0.000 -0.163) 2.744 2.998 ( 5.073 0.000 -0.255) 5.079 3.026 ( 1.751 0.000 0.665) 1.873 3.234 ( 0.304 0.000 -1.424) 1.456 3.266 ( -12.959 0.000 -3.012) 13.305 3.403 ( 3.591 0.000 -6.323) 7.271 3.474 ( 5.848 0.000 -5.161) 7.800 3.628 ( -4.626 0.000 7.045) 8.428 3.943 ( 1.793 0.000 4.228) 4.592 4.187 ( 5.646 0.000 -3.282) 6.530 4.292 ( 0.343 0.000 -10.226) 10.231 4.308 ( -3.837 0.000 -5.008) 6.309 4.637 ( 2.667 0.000 -6.617) 7.134 5.161 ( -7.583 0.000 7.326) 10.544 5.241 ( -7.265 0.000 1.420) 7.402 5.284 ( -5.276 0.000 -2.933) 6.037 5.760 ( -0.893 0.000 -0.795) 1.195 5.799 ( -4.992 0.000 8.336) 9.717 6.149 ( 1.621 0.000 4.138) 4.444 6.172 ( 5.173 0.000 -5.759) 7.741 6.299 ( 24.164 0.000 -7.711) 25.364 6.497 ( -5.236 0.000 3.720) 6.423 6.541 ( 3.989 0.000 1.831) 4.389 6.601 ( 1.311 0.000 -4.346) 4.540 6.797 ( -1.251 0.000 3.555) 3.768 6.975 ( -4.301 0.000 2.744) 5.102 6.986 ( -7.942 0.000 -2.582) 8.351 7.299 ( 7.384 0.000 -4.321) 8.555 7.319 ( 3.838 0.000 7.612) 8.525 7.446 ( 12.419 0.000 -0.946) 12.455 7.950 ( 1.775 0.000 -1.253) 2.173 8.086 ( -2.867 0.000 0.256) 2.878 8.228 ( -15.626 0.000 4.104) 16.156 8.371 ( -0.427 0.000 -6.030) 6.045 8.417 ( 0.936 0.000 -2.371) 2.549 8.503 ( -8.685 0.000 3.769) 9.467 8.946 ( 4.298 0.000 6.347) 7.665 9.154 ( -3.540 0.000 -5.898) 6.879 9.292 ( 4.661 0.000 -0.938) 4.755 11.895 ( -1.149 0.000 4.173) 4.328 11.978 ( -0.798 0.000 1.779) 1.950 12.028 ( 0.646 0.000 0.805) 1.032 12.303 ( -2.992 0.000 -1.322) 3.271 12.870 ( 0.405 0.000 -0.731) 0.835 12.902 ( -6.160 0.000 -2.148) 6.524 13.276 ( -1.124 0.000 5.494) 5.608 13.823 ( 9.833 0.000 -3.305) 10.374 14.292 ( 1.137 0.000 1.701) 2.046 14.533 ( -0.287 0.000 -9.672) 9.676 15.113 ( 1.328 0.000 11.596) 11.671 15.903 ( 0.870 0.000 -6.797) 6.852 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 15.384 0.000 8.051) 17.363 1.376 ( 12.802 0.000 12.232) 17.707 1.760 ( -5.886 0.000 -1.364) 6.042 1.938 ( -2.073 0.000 0.255) 2.088 2.085 ( 1.333 0.000 16.965) 17.017 2.396 ( -16.822 0.000 2.474) 17.003 2.415 ( 2.313 0.000 18.696) 18.839 2.478 ( 3.617 0.000 -8.230) 8.989 2.654 ( -1.434 0.000 -5.999) 6.168 2.952 ( 3.988 0.000 2.388) 4.648 2.981 ( -2.789 0.000 -4.375) 5.189 3.017 ( -7.885 0.000 -0.294) 7.890 3.037 ( -1.838 0.000 -0.957) 2.072 3.309 ( 5.298 0.000 8.027) 9.618 3.446 ( 0.621 0.000 -1.577) 1.695 3.564 ( -2.347 0.000 5.553) 6.029 3.644 ( 9.476 0.000 -4.958) 10.694 3.879 ( -5.303 0.000 1.959) 5.653 4.195 ( -4.309 0.000 -5.101) 6.677 4.265 ( -0.318 0.000 -8.134) 8.140 4.345 ( 8.025 0.000 -6.603) 10.393 4.646 ( 1.057 0.000 -7.981) 8.050 5.032 ( -7.439 0.000 9.307) 11.915 5.127 ( -4.074 0.000 1.951) 4.517 5.196 ( -1.269 0.000 -4.817) 4.982 5.688 ( -6.814 0.000 11.595) 13.449 5.736 ( -1.102 0.000 0.869) 1.404 6.204 ( 1.595 0.000 4.965) 5.215 6.251 ( 3.785 0.000 -5.425) 6.615 6.423 ( -2.578 0.000 3.169) 4.085 6.520 ( -3.393 0.000 -5.203) 6.211 6.629 ( -1.598 0.000 4.158) 4.455 6.737 ( 18.754 0.000 -11.558) 22.029 6.776 ( -1.491 0.000 3.317) 3.637 6.853 ( -2.709 0.000 -2.381) 3.607 6.918 ( -2.519 0.000 4.047) 4.767 7.411 ( 3.557 0.000 6.850) 7.719 7.443 ( 7.343 0.000 -4.022) 8.373 7.733 ( 13.672 0.000 -3.843) 14.202 7.899 ( -15.338 0.000 6.367) 16.607 7.983 ( 1.308 0.000 -0.917) 1.598 8.051 ( 0.011 0.000 -1.449) 1.449 8.309 ( -8.017 0.000 -2.158) 8.303 8.338 ( -0.555 0.000 -5.676) 5.703 8.478 ( 1.280 0.000 -0.227) 1.300 9.050 ( 3.531 0.000 6.934) 7.781 9.066 ( -1.619 0.000 -8.350) 8.506 9.388 ( 3.903 0.000 0.482) 3.933 11.892 ( -0.732 0.000 4.838) 4.893 11.964 ( -1.130 0.000 2.142) 2.422 12.047 ( 0.787 0.000 0.746) 1.084 12.308 ( 2.904 0.000 1.053) 3.089 12.816 ( -1.615 0.000 -5.708) 5.932 12.846 ( -1.893 0.000 -2.092) 2.821 13.289 ( 0.143 0.000 6.367) 6.369 13.975 ( 5.924 0.000 1.017) 6.010 14.324 ( 1.083 0.000 1.364) 1.742 14.450 ( -3.454 0.000 -12.294) 12.770 15.136 ( -2.796 0.000 11.896) 12.220 15.904 ( 1.484 0.000 -6.544) 6.710 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.494 0.000 4.746) 7.260 1.599 ( -0.867 0.000 7.181) 7.233 1.653 ( 0.102 0.000 6.967) 6.968 1.887 ( -0.988 0.000 6.302) 6.379 2.028 ( -5.799 0.000 0.603) 5.830 2.146 ( -5.184 0.000 -1.738) 5.467 2.429 ( -2.658 0.000 -11.358) 11.665 2.542 ( -3.675 0.000 21.000) 21.319 2.666 ( 2.287 0.000 -6.176) 6.586 2.900 ( 3.323 0.000 8.731) 9.342 2.941 ( -1.012 0.000 -2.967) 3.134 2.987 ( -1.497 0.000 -0.712) 1.658 3.017 ( -4.360 0.000 0.093) 4.361 3.404 ( -0.695 0.000 8.370) 8.399 3.415 ( -1.293 0.000 4.108) 4.307 3.537 ( -0.842 0.000 7.801) 7.846 3.848 ( 2.812 0.000 -2.867) 4.016 3.855 ( 11.982 0.000 -7.757) 14.273 4.124 ( -0.465 0.000 -3.654) 3.683 4.199 ( -3.477 0.000 -6.702) 7.550 4.398 ( -0.772 0.000 -9.124) 9.157 4.639 ( 1.109 0.000 -8.768) 8.838 4.925 ( -5.726 0.000 5.304) 7.805 5.108 ( 0.999 0.000 8.252) 8.312 5.204 ( 3.565 0.000 -4.918) 6.074 5.613 ( -4.374 0.000 9.488) 10.448 5.732 ( 0.238 0.000 2.693) 2.703 6.228 ( -1.242 0.000 5.354) 5.497 6.264 ( -1.155 0.000 -4.634) 4.775 6.407 ( -5.258 0.000 -4.907) 7.191 6.410 ( 0.011 0.000 3.640) 3.640 6.573 ( -2.820 0.000 1.197) 3.064 6.740 ( -1.539 0.000 0.243) 1.558 6.885 ( 4.062 0.000 -0.105) 4.064 6.891 ( -1.398 0.000 4.038) 4.273 7.009 ( 10.893 0.000 -5.704) 12.297 7.471 ( -3.730 0.000 4.752) 6.041 7.537 ( 2.293 0.000 -3.346) 4.056 7.660 ( -6.100 0.000 7.147) 9.396 7.961 ( 6.428 0.000 -5.374) 8.378 7.985 ( -0.685 0.000 0.309) 0.752 8.075 ( 2.493 0.000 -2.054) 3.231 8.142 ( -3.243 0.000 -6.463) 7.231 8.324 ( 1.373 0.000 -5.175) 5.354 8.511 ( 2.051 0.000 0.265) 2.069 9.035 ( 1.419 0.000 -8.810) 8.923 9.141 ( 2.844 0.000 6.644) 7.227 9.445 ( 1.366 0.000 0.284) 1.395 11.898 ( -0.480 0.000 5.231) 5.253 11.952 ( -0.693 0.000 2.311) 2.413 12.059 ( 0.088 0.000 0.660) 0.666 12.414 ( 6.704 0.000 1.951) 6.982 12.781 ( 0.371 0.000 -7.041) 7.050 12.796 ( -1.514 0.000 -4.093) 4.364 13.317 ( -0.181 0.000 8.050) 8.052 14.087 ( 4.237 0.000 3.919) 5.771 14.309 ( -5.567 0.000 -15.653) 16.613 14.337 ( -0.308 0.000 0.903) 0.954 15.098 ( -4.914 0.000 12.976) 13.875 15.915 ( 1.712 0.000 -6.073) 6.310 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -13.252 0.000 14.143) 19.382 1.374 ( -17.608 0.000 12.714) 21.718 1.813 ( -0.018 0.000 1.946) 1.946 1.881 ( -4.166 0.000 -3.818) 5.651 1.985 ( 8.226 0.000 1.830) 8.427 2.209 ( 9.537 0.000 -1.591) 9.669 2.363 ( -18.705 0.000 23.751) 30.232 2.423 ( 6.110 0.000 -3.207) 6.901 2.734 ( 6.021 0.000 -4.399) 7.456 2.804 ( -9.839 0.000 -0.372) 9.846 2.861 ( -5.277 0.000 -3.923) 6.575 2.989 ( 1.434 0.000 0.272) 1.459 3.150 ( 12.069 0.000 6.466) 13.692 3.374 ( -2.780 0.000 3.246) 4.274 3.444 ( 0.902 0.000 2.718) 2.864 3.556 ( -1.586 0.000 7.983) 8.139 3.929 ( 4.440 0.000 -3.836) 5.868 3.999 ( -0.449 0.000 -5.969) 5.986 4.136 ( 1.313 0.000 -4.827) 5.003 4.148 ( 5.611 0.000 -6.572) 8.642 4.301 ( -3.287 0.000 -2.759) 4.291 4.615 ( -0.392 0.000 -9.524) 9.532 4.840 ( -3.140 0.000 3.607) 4.782 5.205 ( 4.022 0.000 9.580) 10.390 5.293 ( 5.924 0.000 -2.763) 6.537 5.562 ( -3.585 0.000 6.767) 7.658 5.762 ( 1.108 0.000 3.416) 3.591 6.184 ( -3.942 0.000 -5.028) 6.389 6.199 ( -3.125 0.000 5.438) 6.272 6.300 ( -2.652 0.000 -4.410) 5.146 6.428 ( -0.497 0.000 5.321) 5.344 6.546 ( 0.102 0.000 -1.737) 1.740 6.734 ( 1.108 0.000 -1.545) 1.901 6.887 ( -0.023 0.000 3.475) 3.476 6.977 ( 4.770 0.000 -0.496) 4.795 7.153 ( 3.815 0.000 -2.283) 4.446 7.279 ( -11.669 0.000 0.526) 11.681 7.503 ( -4.333 0.000 -2.630) 5.069 7.585 ( -9.185 0.000 6.810) 11.434 7.969 ( -0.999 0.000 0.513) 1.124 7.995 ( 5.516 0.000 -1.934) 5.845 8.124 ( 2.575 0.000 -1.065) 2.787 8.224 ( 8.842 0.000 -9.868) 13.250 8.354 ( 2.828 0.000 -4.552) 5.359 8.572 ( 3.644 0.000 1.928) 4.123 9.048 ( 2.349 0.000 -7.578) 7.934 9.203 ( 0.683 0.000 4.358) 4.411 9.446 ( -1.107 0.000 -0.712) 1.316 11.908 ( -0.358 0.000 5.058) 5.071 11.954 ( 0.061 0.000 2.112) 2.113 12.054 ( -0.824 0.000 0.660) 1.056 12.579 ( 7.561 0.000 -3.926) 8.519 12.766 ( 0.387 0.000 -4.956) 4.971 12.803 ( 5.567 0.000 -0.994) 5.655 13.334 ( -1.251 0.000 9.034) 9.121 14.071 ( -10.658 0.000 -21.428) 23.932 14.198 ( 3.326 0.000 7.800) 8.479 14.319 ( -1.546 0.000 0.744) 1.716 15.038 ( -5.219 0.000 13.678) 14.639 15.926 ( 1.316 0.000 -5.857) 6.003 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -12.495 0.000 20.833) 24.293 1.089 ( -14.310 0.000 19.883) 24.497 1.688 ( -10.821 0.000 15.036) 18.525 1.799 ( 0.206 0.000 -6.267) 6.270 2.066 ( -13.388 0.000 14.788) 19.949 2.245 ( 11.695 0.000 1.606) 11.804 2.367 ( 4.413 0.000 -0.798) 4.484 2.621 ( 10.811 0.000 -0.086) 10.811 2.666 ( -4.044 0.000 3.340) 5.245 2.750 ( -1.249 0.000 -2.506) 2.800 2.838 ( 4.217 0.000 -2.201) 4.757 3.046 ( 3.940 0.000 -1.248) 4.133 3.310 ( -4.815 0.000 0.015) 4.815 3.374 ( 3.885 0.000 -1.836) 4.297 3.486 ( 7.512 0.000 2.842) 8.031 3.514 ( -4.524 0.000 6.900) 8.251 3.854 ( -10.073 0.000 -6.450) 11.961 3.881 ( -6.598 0.000 -2.642) 7.108 4.160 ( 2.907 0.000 -3.626) 4.648 4.285 ( 6.994 0.000 -9.479) 11.780 4.325 ( 3.402 0.000 1.139) 3.588 4.570 ( -0.018 0.000 -8.165) 8.165 4.912 ( 11.270 0.000 8.874) 14.344 5.293 ( 0.689 0.000 7.407) 7.439 5.396 ( 3.421 0.000 -0.187) 3.426 5.507 ( -3.919 0.000 4.671) 6.098 5.778 ( -0.434 0.000 1.119) 1.200 6.105 ( -0.916 0.000 -7.202) 7.260 6.152 ( -2.999 0.000 5.407) 6.183 6.293 ( 3.238 0.000 -1.287) 3.484 6.393 ( -5.903 0.000 6.439) 8.736 6.557 ( 1.730 0.000 -3.599) 3.993 6.762 ( 1.910 0.000 -1.885) 2.683 6.884 ( -7.012 0.000 0.967) 7.078 7.018 ( -4.027 0.000 0.104) 4.029 7.075 ( 5.089 0.000 -1.711) 5.369 7.201 ( -1.979 0.000 -2.622) 3.285 7.362 ( -7.937 0.000 -2.181) 8.231 7.392 ( -9.055 0.000 9.322) 12.996 7.947 ( -1.128 0.000 0.094) 1.132 8.161 ( 0.721 0.000 0.272) 0.771 8.166 ( 9.767 0.000 -3.705) 10.446 8.351 ( 5.767 0.000 -6.812) 8.925 8.389 ( 1.814 0.000 -4.352) 4.715 8.680 ( 5.675 0.000 4.293) 7.116 9.079 ( 3.239 0.000 -5.313) 6.223 9.156 ( -7.664 0.000 0.250) 7.668 9.396 ( -3.201 0.000 -2.302) 3.943 11.915 ( -0.756 0.000 4.186) 4.254 11.968 ( 0.472 0.000 1.995) 2.050 12.035 ( -1.086 0.000 0.706) 1.296 12.596 ( -1.712 0.000 -13.944) 14.048 12.781 ( 2.616 0.000 -4.042) 4.815 13.105 ( 20.911 0.000 4.480) 21.385 13.326 ( -2.505 0.000 8.586) 8.944 13.651 ( -22.742 0.000 -16.842) 28.299 14.289 ( -1.465 0.000 1.072) 1.816 14.327 ( 6.901 0.000 5.572) 8.870 14.994 ( -3.574 0.000 14.580) 15.012 15.926 ( 0.705 0.000 -6.104) 6.144 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -2.069 4.594 21.082) 21.676 1.029 ( -7.630 13.478 17.774) 23.575 1.899 ( 4.305 12.101 3.716) 13.371 1.902 ( 1.354 10.488 7.882) 13.189 2.074 ( -6.136 13.742 11.118) 18.711 2.364 ( -2.692 0.497 -1.712) 3.229 2.429 ( 4.166 -0.355 0.453) 4.206 2.585 ( 2.774 -5.571 5.084) 8.035 2.731 ( 5.832 -2.908 0.317) 6.524 2.821 ( 2.200 -2.954 -2.513) 4.459 2.890 ( 7.280 -0.406 4.027) 8.330 2.978 ( -8.512 -6.465 -0.074) 10.689 3.179 ( 1.622 -3.002 -2.744) 4.378 3.397 ( -4.198 1.085 -8.552) 9.588 3.408 ( -5.475 -4.416 2.108) 7.343 3.594 ( -4.971 1.576 -5.472) 7.559 3.596 ( 0.063 -3.948 -0.953) 4.061 3.909 ( 4.461 5.627 2.695) 7.670 4.127 ( 0.128 -1.202 1.476) 1.908 4.296 ( 2.423 -2.623 -4.743) 5.937 4.346 ( -0.402 -0.648 -5.314) 5.369 4.710 ( 1.043 7.643 -7.575) 10.811 5.158 ( 11.622 -11.716 5.879) 17.518 5.237 ( -2.204 -3.520 9.000) 9.912 5.357 ( -0.788 -6.353 4.128) 7.617 5.426 ( -4.428 0.773 -0.593) 4.534 5.724 ( 1.715 -4.348 -0.622) 4.715 6.052 ( -0.994 -3.221 -3.307) 4.722 6.134 ( -2.475 -1.451 4.853) 5.637 6.186 ( -2.538 0.196 3.857) 4.621 6.477 ( 8.140 3.244 -1.395) 8.873 6.552 ( 0.633 0.802 -1.577) 1.879 6.724 ( -0.683 0.895 0.552) 1.254 6.876 ( -1.527 -2.757 -2.466) 4.001 6.979 ( -6.399 -0.786 -0.579) 6.474 7.141 ( 6.390 0.773 -1.298) 6.566 7.169 ( -1.341 1.335 2.469) 3.111 7.301 ( -5.380 10.661 2.565) 12.214 7.485 ( 2.520 10.408 -0.239) 10.712 7.928 ( 0.168 -0.457 0.047) 0.489 8.128 ( -2.918 -0.902 0.490) 3.094 8.295 ( 4.981 -1.210 -6.940) 8.628 8.381 ( 2.819 -0.250 -3.663) 4.629 8.449 ( -0.095 0.665 -2.958) 3.033 8.746 ( -10.942 -4.853 5.770) 13.288 8.779 ( 1.588 -2.864 6.290) 7.092 9.228 ( -0.638 3.656 -5.733) 6.829 9.336 ( -2.054 2.469 -4.806) 5.780 11.912 ( -0.700 0.370 1.504) 1.700 11.990 ( 0.375 0.862 1.178) 1.507 12.011 ( -0.423 -0.878 0.858) 1.298 12.395 ( -4.943 -4.319 -9.473) 11.525 12.842 ( -2.671 -0.158 1.853) 3.254 13.007 ( -3.916 -3.365 1.269) 5.317 13.424 ( 5.254 -0.332 3.862) 6.529 13.536 ( 4.553 1.175 -11.019) 11.981 14.210 ( -1.425 -0.536 8.073) 8.215 14.578 ( 2.097 3.852 -0.736) 4.447 15.125 ( 2.562 8.618 8.687) 12.502 15.897 ( -0.051 -1.849 -6.290) 6.557 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.233 14.379 13.204) 19.523 1.120 ( 8.320 4.400 18.434) 20.698 1.939 ( -2.740 5.998 -2.959) 7.228 1.996 ( 1.942 6.679 -0.530) 6.975 2.095 ( 5.634 17.387 22.375) 28.890 2.361 ( 3.054 -0.287 -0.683) 3.142 2.430 ( -4.007 0.008 7.826) 8.792 2.655 ( -6.035 -4.857 -0.899) 7.798 2.740 ( -1.376 -1.587 1.437) 2.545 2.817 ( 0.460 1.205 -3.402) 3.638 2.884 ( 3.055 -7.254 1.165) 7.957 3.032 ( 2.653 0.213 1.613) 3.112 3.189 ( -1.982 -2.994 -1.525) 3.901 3.274 ( -2.553 -3.261 -3.054) 5.146 3.331 ( -0.618 -3.746 -5.413) 6.612 3.517 ( -1.070 -1.200 2.836) 3.260 3.563 ( -0.184 0.449 -3.354) 3.389 4.062 ( -0.011 7.585 6.263) 9.837 4.137 ( 6.722 -3.183 -3.985) 8.438 4.286 ( -1.967 -1.594 -3.510) 4.327 4.314 ( 0.044 0.775 -7.765) 7.804 4.684 ( -0.910 2.901 -6.975) 7.608 5.127 ( -6.009 -1.058 7.716) 9.837 5.218 ( -5.577 -2.431 1.801) 6.345 5.316 ( -4.191 1.299 -3.173) 5.415 5.474 ( 1.942 -16.053 9.249) 18.628 5.788 ( 1.831 -4.845 0.402) 5.195 6.038 ( 1.467 -5.848 -1.170) 6.142 6.181 ( 8.652 -4.156 3.173) 10.110 6.231 ( 3.970 1.250 -1.750) 4.515 6.527 ( -2.491 1.374 -1.049) 3.032 6.609 ( 2.597 4.156 -1.614) 5.160 6.698 ( -1.000 1.682 2.219) 2.958 6.830 ( -3.224 -6.753 -1.854) 7.709 6.867 ( -1.863 3.071 -1.260) 3.806 7.135 ( -4.292 6.256 6.353) 9.896 7.238 ( 4.096 3.170 -0.386) 5.193 7.358 ( 9.011 0.408 -2.155) 9.274 7.573 ( 6.537 8.714 -1.688) 11.024 7.937 ( 0.291 -1.600 0.112) 1.630 8.028 ( -5.718 -1.949 0.155) 6.043 8.315 ( -1.219 0.617 -6.637) 6.776 8.400 ( -5.683 4.775 1.787) 7.635 8.426 ( -0.078 1.452 -5.155) 5.356 8.485 ( -6.568 -0.338 5.625) 8.654 8.895 ( 4.412 -3.836 6.532) 8.766 9.174 ( -2.888 1.788 -5.994) 6.889 9.331 ( 3.085 2.398 -2.887) 4.859 11.902 ( -0.737 0.454 1.898) 2.086 11.991 ( -0.518 1.208 0.907) 1.596 12.019 ( 0.697 -0.717 1.011) 1.422 12.290 ( -2.001 -1.411 -2.835) 3.746 12.764 ( -3.978 -3.602 1.425) 5.552 12.984 ( 0.174 2.699 -1.651) 3.169 13.365 ( -3.359 5.734 -1.117) 6.739 13.771 ( 11.807 -5.497 -2.915) 13.347 14.212 ( -0.642 -3.570 4.983) 6.164 14.564 ( -2.642 1.913 -1.744) 3.699 15.202 ( 1.071 7.421 7.396) 10.532 15.887 ( 1.337 -1.680 -6.585) 6.926 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 10.495 7.247 8.341) 15.239 1.396 ( 11.469 2.861 12.158) 16.958 1.825 ( -6.217 3.783 -1.189) 7.374 1.983 ( -3.172 6.491 2.136) 7.533 2.237 ( -5.682 5.569 9.030) 12.035 2.299 ( -8.233 0.116 6.780) 10.666 2.435 ( 2.582 -3.228 -6.358) 7.584 2.554 ( 4.127 9.241 10.733) 14.752 2.711 ( -2.345 4.236 -7.814) 9.193 2.858 ( -4.091 -6.567 -1.346) 7.853 2.914 ( 4.681 -3.249 3.380) 6.625 2.998 ( -0.625 -3.308 -3.134) 4.600 3.137 ( -4.430 6.231 0.670) 7.675 3.292 ( 4.760 0.058 4.004) 6.221 3.402 ( 6.798 -5.990 0.198) 9.063 3.480 ( -4.296 -5.552 7.330) 10.150 3.633 ( 6.020 0.957 -5.437) 8.168 3.967 ( -6.843 4.936 2.869) 8.912 4.199 ( -2.282 0.634 -3.682) 4.378 4.278 ( -1.456 0.361 -6.941) 7.101 4.321 ( 6.776 -2.354 -5.810) 9.231 4.648 ( 0.576 0.676 -6.104) 6.168 5.048 ( -5.093 1.825 7.752) 9.453 5.111 ( -4.473 -1.786 2.823) 5.583 5.223 ( -2.576 1.711 -4.749) 5.667 5.501 ( -1.007 -11.090 9.072) 14.364 5.767 ( -2.755 -1.675 2.376) 4.005 6.095 ( 3.289 -6.961 -0.051) 7.699 6.293 ( 2.504 1.196 -1.386) 3.101 6.408 ( 7.633 -7.558 0.861) 10.776 6.465 ( -2.639 1.213 -0.655) 2.977 6.595 ( -0.688 2.851 -1.622) 3.352 6.650 ( -4.632 -4.408 2.056) 6.717 6.758 ( -1.984 -3.368 -0.082) 3.910 6.903 ( 3.785 1.273 -1.148) 4.155 7.072 ( -2.995 7.962 4.469) 9.609 7.360 ( 7.310 1.996 -0.747) 7.614 7.499 ( 4.224 -0.431 -0.541) 4.280 7.736 ( 7.963 0.978 -1.129) 8.102 7.859 ( -6.133 -2.814 -0.594) 6.774 7.986 ( 1.207 0.052 -1.850) 2.210 8.192 ( -5.567 10.413 -0.864) 11.839 8.270 ( -6.169 -1.543 -1.541) 6.543 8.399 ( 0.108 3.896 -4.520) 5.968 8.494 ( 1.733 1.410 0.061) 2.235 8.996 ( 2.682 -3.932 6.436) 8.005 9.107 ( -0.220 2.988 -7.528) 8.102 9.399 ( 3.389 0.563 -0.791) 3.526 11.898 ( -0.426 0.410 2.553) 2.621 11.977 ( -1.127 1.354 1.707) 2.453 12.040 ( 0.830 -0.636 0.933) 1.401 12.296 ( 2.814 -1.518 -0.760) 3.286 12.707 ( -1.519 -3.239 -1.755) 3.985 12.968 ( -0.931 4.341 -3.412) 5.600 13.310 ( -2.159 1.791 1.372) 3.123 13.969 ( 8.055 -1.826 0.453) 8.272 14.210 ( -0.740 -7.508 -0.821) 7.589 14.483 ( -4.135 2.463 -0.162) 4.816 15.212 ( -2.662 6.793 8.789) 11.423 15.901 ( 2.235 -0.621 -6.871) 7.251 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 6.313 2.415 5.341) 8.614 1.515 ( -5.935 -2.836 7.588) 10.042 1.799 ( 4.615 6.617 3.530) 8.806 1.871 ( -6.284 4.486 10.283) 12.859 2.101 ( -2.107 -0.594 -1.695) 2.768 2.182 ( -5.389 7.174 0.491) 8.986 2.422 ( -1.550 -0.350 -9.513) 9.645 2.619 ( -3.187 2.623 6.574) 7.763 2.676 ( 0.267 0.764 -5.017) 5.082 2.840 ( 2.550 -3.686 2.431) 5.099 2.920 ( -2.132 0.073 3.205) 3.850 3.035 ( -0.078 2.615 2.991) 3.974 3.101 ( -0.234 7.363 2.724) 7.854 3.381 ( -1.969 -2.712 8.023) 8.695 3.398 ( -0.253 0.131 1.230) 1.263 3.552 ( 4.444 -1.070 4.950) 6.738 3.711 ( 4.169 -1.940 -0.934) 4.692 3.899 ( 1.278 -2.776 -5.069) 5.919 4.170 ( -0.653 1.939 -2.335) 3.105 4.202 ( -1.314 0.858 -6.156) 6.353 4.366 ( -0.351 -2.888 -6.922) 7.509 4.671 ( 3.055 3.206 -6.904) 8.202 4.942 ( -6.187 1.426 2.165) 6.708 5.080 ( -0.946 -2.643 9.537) 9.941 5.211 ( 2.918 0.314 -3.591) 4.638 5.515 ( -0.647 -7.077 7.590) 10.398 5.732 ( -0.977 -0.799 2.462) 2.766 6.141 ( 0.490 -6.070 0.427) 6.105 6.295 ( -2.469 0.832 0.685) 2.694 6.397 ( -3.883 -0.892 -4.721) 6.177 6.449 ( -0.321 2.790 3.321) 4.350 6.531 ( -3.601 -3.220 0.530) 4.860 6.671 ( 1.716 -5.105 2.371) 5.884 6.759 ( 3.125 -4.268 -1.543) 5.510 6.951 ( -0.490 1.997 3.867) 4.379 7.086 ( 4.332 2.425 -0.705) 5.014 7.471 ( 0.220 0.800 -1.839) 2.017 7.545 ( 1.361 0.719 1.137) 1.913 7.694 ( -3.607 0.640 4.092) 5.492 7.931 ( 6.447 -1.269 -6.012) 8.906 8.017 ( 2.282 1.173 -1.134) 2.805 8.028 ( -9.746 0.324 0.452) 9.762 8.213 ( 2.488 4.113 -7.304) 8.744 8.397 ( 1.168 5.853 -3.784) 7.067 8.532 ( 1.967 1.728 0.328) 2.638 9.026 ( -0.104 -2.190 -1.049) 2.430 9.142 ( 4.150 1.497 -0.537) 4.444 9.448 ( 1.368 -0.016 -0.804) 1.586 11.902 ( -0.118 0.336 2.828) 2.851 11.962 ( -0.906 1.059 2.300) 2.690 12.054 ( 0.095 -0.490 0.807) 0.949 12.385 ( 5.768 -3.273 -1.162) 6.733 12.690 ( 0.727 -1.838 -2.068) 2.861 12.929 ( -1.044 5.684 -5.962) 8.303 13.280 ( -1.951 -2.824 4.646) 5.776 14.108 ( 4.803 0.005 0.601) 4.840 14.154 ( -3.524 -9.029 -6.975) 11.942 14.420 ( -2.247 4.437 4.067) 6.424 15.168 ( -4.462 6.775 9.976) 12.858 15.923 ( 2.064 0.052 -6.690) 7.001 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -14.205 0.257 11.323) 18.168 1.379 ( -12.943 4.645 13.732) 19.433 1.863 ( -0.537 2.970 -3.631) 4.722 1.957 ( 8.371 4.437 5.211) 10.812 2.058 ( -1.465 7.597 -4.345) 8.873 2.189 ( 5.896 -0.028 2.438) 6.380 2.412 ( 3.545 -0.607 -0.333) 3.612 2.528 ( -8.437 9.655 12.544) 17.938 2.695 ( 2.894 -2.718 -4.205) 5.783 2.787 ( -5.028 -5.981 -1.983) 8.062 2.837 ( -11.016 5.163 4.832) 13.090 3.010 ( 1.861 -0.296 -2.062) 2.793 3.175 ( 5.472 2.357 5.251) 7.942 3.354 ( -1.266 -1.815 4.454) 4.974 3.449 ( 3.081 2.204 -1.001) 3.918 3.601 ( -1.873 2.638 5.961) 6.782 3.824 ( 4.866 -6.371 -4.062) 8.987 3.923 ( 1.657 -5.065 -2.467) 5.873 4.102 ( -1.108 -2.753 -4.891) 5.721 4.229 ( 0.036 2.728 -6.070) 6.655 4.310 ( 0.378 1.120 -1.442) 1.864 4.696 ( 1.926 6.422 -8.299) 10.669 4.843 ( -3.255 0.586 2.762) 4.309 5.135 ( 2.569 -5.666 9.366) 11.244 5.291 ( 4.607 -0.788 -0.024) 4.674 5.519 ( -1.291 -3.631 5.237) 6.502 5.743 ( 0.424 -1.429 2.224) 2.677 6.111 ( -2.352 -5.168 -1.973) 6.011 6.222 ( -4.521 0.422 3.070) 5.481 6.305 ( -2.223 0.468 -4.532) 5.070 6.460 ( -1.988 1.408 4.686) 5.281 6.492 ( 0.549 -2.391 -0.994) 2.646 6.688 ( 0.444 -3.233 0.712) 3.340 6.825 ( 2.576 -5.319 -0.532) 5.934 6.961 ( 1.240 0.916 3.134) 3.493 7.181 ( 3.458 -1.319 -0.472) 3.731 7.360 ( -7.807 3.611 -1.480) 8.728 7.516 ( -2.924 3.367 -0.096) 4.460 7.686 ( -9.070 8.629 5.106) 13.520 7.846 ( 2.453 -4.840 -1.495) 5.628 8.040 ( 3.757 -1.935 -3.169) 5.283 8.096 ( 5.060 0.326 -2.941) 5.862 8.261 ( 4.274 1.830 -7.691) 8.987 8.424 ( 2.481 5.608 -2.900) 6.784 8.580 ( 2.581 0.617 1.326) 2.967 9.005 ( -1.807 -4.037 -0.762) 4.488 9.229 ( 3.984 2.394 -1.486) 4.880 9.446 ( -1.047 -0.133 -1.676) 1.980 11.911 ( -0.002 0.284 2.558) 2.574 11.960 ( -0.106 0.653 2.256) 2.351 12.048 ( -0.910 -0.500 0.774) 1.295 12.495 ( 4.959 -6.982 -7.397) 11.316 12.747 ( 5.441 0.568 3.452) 6.469 12.898 ( 0.954 5.604 -6.309) 8.493 13.253 ( -2.886 -6.101 6.439) 9.329 13.988 ( -7.458 -8.680 -18.461) 21.721 14.188 ( 0.481 2.824 9.834) 10.243 14.425 ( 1.299 6.105 4.294) 7.576 15.111 ( -4.341 7.076 10.487) 13.375 15.934 ( 1.180 -0.100 -6.553) 6.659 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.222 0.957 18.831) 21.942 1.169 ( -11.724 10.716 17.403) 23.562 1.823 ( 1.286 4.341 -5.730) 7.303 1.942 ( -4.529 14.149 3.491) 15.261 2.204 ( -7.862 9.927 15.056) 19.673 2.255 ( 9.224 1.744 2.579) 9.736 2.406 ( -0.350 5.349 4.198) 6.809 2.544 ( 2.306 -4.380 -0.156) 4.952 2.676 ( 0.082 -5.712 -1.220) 5.842 2.711 ( 0.834 2.019 1.426) 2.609 2.787 ( 4.005 -3.549 -1.387) 5.528 3.038 ( 0.931 -2.363 -0.610) 2.612 3.230 ( -3.218 -5.320 1.212) 6.334 3.415 ( 5.651 1.903 -2.202) 6.357 3.496 ( 3.034 0.711 -2.436) 3.956 3.528 ( -5.830 1.835 5.009) 7.902 3.762 ( -6.580 -6.616 -6.351) 11.287 3.940 ( -3.503 3.362 -0.241) 4.861 4.091 ( 2.431 -4.380 -1.762) 5.310 4.236 ( 3.792 -1.778 -2.791) 5.033 4.350 ( 1.853 0.347 -3.491) 3.967 4.704 ( 1.886 9.063 -7.988) 12.227 4.881 ( 6.739 -1.985 7.377) 10.187 5.222 ( 1.812 -6.359 8.541) 10.801 5.362 ( 0.846 -2.578 3.109) 4.126 5.498 ( -2.230 -0.818 1.914) 3.051 5.731 ( -1.640 -3.998 0.085) 4.322 6.081 ( 0.722 -2.282 -6.707) 7.122 6.146 ( -3.342 -0.595 4.989) 6.034 6.283 ( -1.818 -0.668 2.869) 3.461 6.390 ( -2.613 -0.563 0.970) 2.844 6.527 ( 1.892 0.550 -0.413) 2.013 6.709 ( 1.511 -2.358 -0.614) 2.868 6.871 ( 2.263 -5.164 -1.139) 5.752 7.018 ( 2.860 -0.408 2.121) 3.584 7.156 ( -6.852 -0.928 -0.857) 6.967 7.222 ( -2.842 5.997 -3.369) 7.443 7.452 ( -8.476 5.279 8.907) 13.381 7.478 ( -3.573 11.430 -3.674) 12.526 7.918 ( 1.651 -1.730 -0.386) 2.422 8.121 ( 3.797 -2.769 -1.677) 4.990 8.187 ( 5.827 1.624 -3.829) 7.159 8.328 ( 4.299 -0.808 -6.202) 7.590 8.455 ( 0.920 3.333 -2.557) 4.301 8.657 ( 4.189 -1.599 3.307) 5.571 8.937 ( -5.586 -7.504 2.966) 9.814 9.266 ( 0.395 4.636 -6.601) 8.076 9.400 ( -2.443 0.281 -2.507) 3.512 11.917 ( -0.301 0.263 1.834) 1.878 11.973 ( 0.542 0.454 1.898) 2.026 12.027 ( -1.220 -0.627 0.783) 1.580 12.502 ( -0.651 -7.332 -12.685) 14.666 12.844 ( 1.717 4.107 -2.310) 5.015 13.025 ( 9.269 -5.321 4.715) 11.681 13.209 ( -0.605 -5.169 5.343) 7.458 13.725 ( -10.806 0.278 -15.864) 19.197 14.210 ( -1.487 1.451 9.971) 10.186 14.498 ( 4.237 6.808 2.294) 8.341 15.080 ( -1.818 7.974 10.414) 13.241 15.923 ( 0.077 -0.939 -6.510) 6.577 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.856 15.911 11.350) 19.563 1.377 ( -4.866 17.551 11.344) 21.456 1.980 ( 3.935 2.221 -1.004) 4.629 2.130 ( 1.839 2.765 -4.625) 5.694 2.261 ( -3.677 -3.436 -1.871) 5.369 2.422 ( 6.341 -3.751 -4.185) 8.473 2.505 ( -0.084 5.366 6.999) 8.820 2.620 ( -2.795 20.397 15.871) 25.995 2.668 ( 2.295 1.330 6.543) 7.061 2.753 ( -1.618 -5.073 -0.508) 5.349 2.847 ( 3.721 -0.946 0.018) 3.839 2.899 ( 3.343 -0.400 1.309) 3.612 3.118 ( -0.736 -1.953 -2.466) 3.231 3.267 ( -6.011 -8.508 -3.069) 10.860 3.403 ( -7.867 -0.519 -7.492) 10.876 3.485 ( -1.109 -3.967 -2.445) 4.790 3.664 ( 0.192 1.684 -6.955) 7.159 3.938 ( 2.454 -2.480 3.343) 4.832 4.159 ( 1.983 2.514 3.353) 4.636 4.282 ( 0.492 2.487 4.182) 4.890 4.324 ( 0.926 -1.186 -3.109) 3.454 4.757 ( -2.675 -4.457 -2.107) 5.609 4.972 ( 6.582 -5.461 6.429) 10.699 5.120 ( 0.052 -8.665 6.870) 11.059 5.329 ( -3.871 6.048 1.152) 7.273 5.453 ( -1.767 1.494 -2.648) 3.516 5.622 ( 0.933 -4.229 0.140) 4.333 5.971 ( -2.525 -4.731 -5.369) 7.588 6.095 ( -2.791 -1.793 5.122) 6.102 6.170 ( -0.324 -2.286 2.114) 3.130 6.508 ( 5.202 0.328 -2.206) 5.660 6.574 ( 2.973 -0.836 -1.688) 3.519 6.730 ( 0.318 -1.499 0.481) 1.606 6.781 ( 0.888 1.939 0.623) 2.222 6.946 ( -4.921 -4.368 0.700) 6.617 7.119 ( 6.003 -2.417 0.308) 6.478 7.266 ( -3.056 6.505 2.131) 7.497 7.522 ( -3.620 7.407 5.003) 9.644 7.703 ( 0.047 9.251 -2.871) 9.687 7.921 ( -0.928 0.217 -0.037) 0.954 8.120 ( -0.673 0.191 -0.312) 0.766 8.287 ( -0.128 0.194 -6.180) 6.184 8.369 ( 3.969 -0.690 -2.156) 4.569 8.423 ( 0.437 -1.447 -2.480) 2.905 8.699 ( 3.835 -3.970 5.984) 8.141 8.713 ( -5.470 -0.393 2.497) 6.025 9.282 ( -1.945 1.915 -6.579) 7.123 9.370 ( -0.600 0.332 -5.802) 5.842 11.923 ( -0.489 0.767 -0.296) 0.956 11.986 ( -0.127 -1.165 1.038) 1.566 12.021 ( 0.934 1.924 -1.480) 2.601 12.287 ( -1.270 -5.540 -8.585) 10.296 12.844 ( -5.476 1.510 6.033) 8.286 13.023 ( 0.810 2.504 -2.740) 3.799 13.321 ( 11.161 -5.776 2.244) 12.766 13.515 ( -1.489 -4.407 -12.076) 12.941 14.313 ( -4.232 8.636 11.979) 15.362 14.627 ( -0.957 0.966 6.437) 6.579 15.326 ( 2.655 9.679 1.567) 10.159 15.827 ( -0.204 -4.832 -5.324) 7.193 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 7.114 13.165 11.384) 18.803 1.329 ( -2.817 17.811 9.616) 20.436 2.009 ( -2.349 1.762 -1.677) 3.381 2.130 ( -1.002 -0.183 -2.191) 2.416 2.241 ( 2.776 -1.951 -0.827) 3.493 2.434 ( -4.744 1.957 -4.553) 6.861 2.507 ( -1.168 -1.852 6.644) 6.996 2.661 ( 0.228 14.232 9.582) 17.159 2.694 ( 1.380 -1.755 2.372) 3.257 2.792 ( 4.328 2.645 7.349) 8.929 2.875 ( 0.589 3.988 -6.815) 7.918 3.016 ( 0.679 -1.787 0.937) 2.130 3.125 ( -2.328 -2.262 -2.577) 4.144 3.149 ( 4.679 -5.726 -0.433) 7.408 3.283 ( -0.275 -1.057 -0.351) 1.148 3.450 ( -2.557 -4.139 -1.616) 5.126 3.609 ( -1.418 1.776 -4.859) 5.364 4.056 ( 6.742 -5.687 -2.045) 9.054 4.176 ( -1.437 3.388 3.917) 5.375 4.265 ( -1.906 0.249 1.713) 2.575 4.339 ( -0.449 1.756 -1.426) 2.306 4.687 ( -2.797 -2.821 -0.269) 3.981 5.088 ( -0.399 -5.775 3.953) 7.010 5.132 ( 0.474 -11.555 8.912) 14.600 5.230 ( -5.283 6.434 -0.708) 8.355 5.407 ( -1.253 3.447 -3.446) 5.033 5.662 ( 2.212 -5.664 0.384) 6.093 5.920 ( -0.266 -5.583 -2.388) 6.078 6.114 ( 4.254 -2.357 3.362) 5.912 6.213 ( 3.388 -3.017 -1.839) 4.895 6.531 ( -1.036 -0.432 -2.788) 3.005 6.624 ( -0.806 -4.458 0.620) 4.572 6.717 ( -0.560 -0.385 1.157) 1.342 6.792 ( -1.575 6.859 1.985) 7.313 6.868 ( -1.722 -2.244 0.565) 2.885 7.192 ( -1.689 0.729 8.961) 9.148 7.307 ( 7.499 0.949 -3.424) 8.298 7.468 ( -1.232 8.186 -1.100) 8.351 7.723 ( 1.882 4.489 -1.247) 5.025 7.887 ( -2.899 -2.364 -0.783) 3.822 8.033 ( -4.385 2.134 -0.783) 4.939 8.272 ( -0.349 -2.818 -2.414) 3.726 8.438 ( 2.716 0.807 -4.706) 5.493 8.459 ( 3.224 0.754 -2.950) 4.435 8.579 ( -6.975 5.918 3.208) 9.693 8.811 ( 4.101 -3.937 6.030) 8.287 9.221 ( -1.658 2.467 -6.367) 7.027 9.357 ( 1.618 -0.208 -5.007) 5.266 11.913 ( -0.355 0.718 0.047) 0.803 11.995 ( 0.742 -1.248 0.899) 1.708 12.032 ( 0.363 2.195 -1.762) 2.838 12.238 ( -0.562 -3.446 -5.583) 6.585 12.758 ( -4.024 2.874 3.527) 6.074 13.019 ( -0.418 0.595 -1.391) 1.570 13.423 ( -1.490 -0.421 -6.927) 7.098 13.589 ( 11.176 -10.248 -2.852) 15.429 14.258 ( -4.790 7.286 11.307) 14.278 14.594 ( -4.090 0.560 6.336) 7.562 15.382 ( 1.571 8.939 1.754) 9.244 15.827 ( 2.098 -4.027 -5.760) 7.335 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 3.321 14.024 7.287) 16.149 1.516 ( 7.600 8.447 8.629) 14.268 1.903 ( -6.037 4.349 0.342) 7.448 2.095 ( -1.831 -0.685 2.539) 3.204 2.207 ( -8.224 -1.758 0.721) 8.440 2.358 ( -0.717 -4.285 -3.094) 5.333 2.464 ( -1.606 8.639 1.016) 8.846 2.641 ( -2.884 -0.905 1.590) 3.416 2.745 ( -5.552 -1.899 -7.339) 9.396 2.826 ( 3.701 -1.029 0.711) 3.907 2.894 ( -2.006 -2.768 -6.644) 7.472 2.978 ( 7.157 11.181 6.990) 15.003 3.238 ( 5.979 2.800 2.869) 7.198 3.268 ( 5.340 -3.724 4.917) 8.158 3.365 ( 5.426 5.588 0.240) 7.793 3.367 ( -3.186 -4.635 4.449) 7.172 3.627 ( 4.293 -1.472 -3.494) 5.727 4.055 ( -6.999 2.974 0.026) 7.605 4.191 ( 1.253 -3.623 -0.453) 3.860 4.249 ( 0.144 -0.129 0.119) 0.227 4.278 ( -3.321 -1.509 -1.863) 4.096 4.677 ( 1.642 0.576 1.340) 2.196 5.031 ( -4.684 -5.770 4.046) 8.462 5.120 ( -4.854 3.578 1.520) 6.219 5.174 ( 0.444 -5.426 3.051) 6.241 5.379 ( -0.239 1.260 -1.789) 2.201 5.694 ( 0.696 -3.801 0.585) 3.908 5.946 ( 2.877 -7.033 -1.673) 7.781 6.267 ( 5.743 -4.232 0.009) 7.133 6.280 ( 5.550 -3.223 -0.528) 6.440 6.478 ( -2.698 -0.196 -1.358) 3.027 6.549 ( -5.432 -4.303 0.633) 6.959 6.703 ( -1.389 1.035 0.767) 1.894 6.731 ( -4.057 5.350 3.300) 7.482 6.886 ( 2.100 -1.577 2.318) 3.504 7.158 ( -4.757 1.205 9.259) 10.478 7.444 ( 4.901 -2.488 -2.506) 6.040 7.490 ( 4.865 6.606 -4.059) 9.154 7.751 ( -2.449 -0.807 5.116) 5.729 7.804 ( 0.453 -1.453 -8.275) 8.414 8.002 ( 1.307 2.036 -3.092) 3.926 8.235 ( -1.989 -1.895 -1.979) 3.386 8.383 ( -6.714 5.970 -0.272) 8.988 8.501 ( 2.474 4.144 -4.574) 6.649 8.543 ( 1.670 4.654 0.773) 5.004 8.901 ( 2.242 -4.778 6.448) 8.333 9.182 ( 0.827 3.879 -7.584) 8.559 9.393 ( 2.796 -1.365 -3.008) 4.328 11.911 ( 0.103 0.982 0.031) 0.988 12.018 ( 0.147 1.322 -0.244) 1.352 12.021 ( 0.070 -0.163 0.619) 0.644 12.233 ( 1.870 -4.169 -4.646) 6.516 12.711 ( -1.359 3.368 1.647) 3.987 13.002 ( -0.669 -0.768 -0.833) 1.316 13.346 ( -3.513 1.388 -5.830) 6.947 13.780 ( 7.724 -13.846 -5.849) 16.899 14.213 ( -3.011 6.882 11.717) 13.918 14.529 ( -4.087 1.203 7.845) 8.927 15.394 ( -1.118 9.629 2.661) 10.053 15.861 ( 2.934 -3.404 -6.477) 7.883 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.683 9.224 5.910) 12.341 1.550 ( -7.327 6.734 4.635) 10.978 1.881 ( 3.587 3.932 4.837) 7.192 2.029 ( -6.182 2.241 0.702) 6.613 2.110 ( 1.236 4.115 5.980) 7.364 2.267 ( -5.169 -1.574 -3.953) 6.695 2.448 ( -1.524 1.999 -5.082) 5.670 2.583 ( -3.063 -6.222 1.426) 7.080 2.660 ( 1.458 0.252 -4.638) 4.869 2.751 ( -3.599 0.646 -4.543) 5.832 2.934 ( 0.545 -4.811 -1.768) 5.155 3.144 ( 4.414 7.650 7.932) 11.871 3.245 ( -3.328 1.985 2.937) 4.862 3.348 ( 0.661 5.635 8.306) 10.058 3.472 ( 8.444 -5.765 0.850) 10.260 3.485 ( 5.065 6.633 -2.638) 8.753 3.704 ( 1.957 -1.315 -0.533) 2.418 3.892 ( -5.977 4.446 2.597) 7.889 4.113 ( -5.674 -5.002 -3.738) 8.437 4.255 ( 1.257 1.678 -0.395) 2.134 4.281 ( 1.408 -4.221 -1.193) 4.607 4.734 ( 2.455 0.284 2.031) 3.199 4.945 ( -4.401 -3.652 0.748) 5.768 5.039 ( -3.606 1.444 4.064) 5.621 5.203 ( 2.520 -0.520 0.148) 2.577 5.396 ( 1.675 -2.669 1.584) 3.527 5.708 ( 0.790 -0.994 0.098) 1.274 5.988 ( 1.079 -8.195 -2.119) 8.533 6.283 ( -1.795 -1.265 0.967) 2.400 6.372 ( -1.436 -1.094 -1.637) 2.437 6.450 ( -2.945 -4.423 0.111) 5.315 6.471 ( 2.710 -1.725 2.071) 3.822 6.653 ( -2.225 4.299 1.517) 5.073 6.709 ( 0.504 -0.900 1.732) 2.015 6.951 ( 2.406 -2.049 3.076) 4.410 7.081 ( -4.140 -2.164 5.906) 7.530 7.468 ( -0.437 0.528 -1.619) 1.758 7.628 ( 6.659 5.304 -3.486) 9.200 7.652 ( -3.716 -3.514 2.204) 5.569 7.884 ( 6.803 -2.139 -7.141) 10.092 8.037 ( 3.337 1.850 -5.012) 6.299 8.142 ( -9.369 6.159 6.127) 12.777 8.277 ( -0.427 2.735 -5.759) 6.389 8.528 ( 1.550 4.607 -4.147) 6.389 8.573 ( 0.850 2.896 0.667) 3.090 8.935 ( -1.143 -5.676 4.860) 7.560 9.212 ( 4.288 4.292 -6.211) 8.682 9.432 ( 1.682 -1.574 -2.751) 3.588 11.917 ( 0.533 1.296 -0.387) 1.454 11.996 ( -1.172 1.956 0.794) 2.415 12.040 ( 0.269 -0.769 0.939) 1.243 12.274 ( 3.604 -6.568 -5.835) 9.496 12.716 ( 1.328 3.682 2.145) 4.463 12.991 ( 0.011 -0.386 -1.483) 1.532 13.246 ( -4.421 0.818 -3.030) 5.422 13.832 ( 0.358 -15.615 -11.358) 19.312 14.238 ( 0.862 7.465 13.303) 15.279 14.498 ( -1.778 2.390 9.470) 9.927 15.362 ( -2.709 10.640 3.000) 11.382 15.890 ( 1.966 -3.495 -6.601) 7.724 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -10.353 11.056 5.550) 16.131 1.553 ( -5.053 10.858 10.545) 15.957 1.936 ( 0.163 3.686 -3.678) 5.210 2.037 ( 7.711 2.746 3.018) 8.724 2.160 ( -2.588 -1.885 -6.490) 7.237 2.215 ( 5.701 2.646 5.704) 8.488 2.419 ( -0.441 0.840 3.814) 3.930 2.541 ( -1.055 -8.184 -0.055) 8.252 2.685 ( 0.818 1.642 -6.323) 6.584 2.705 ( 0.636 3.281 0.510) 3.381 2.924 ( -0.037 -7.060 -1.684) 7.259 3.097 ( -10.797 12.491 9.927) 19.265 3.206 ( -4.922 4.005 4.260) 7.643 3.351 ( 1.236 1.104 1.822) 2.463 3.555 ( 3.867 6.260 -4.516) 8.633 3.609 ( 2.816 -7.145 -6.235) 9.892 3.671 ( -3.403 -0.863 2.332) 4.215 3.922 ( 5.335 3.877 5.388) 8.515 4.006 ( -3.159 -5.723 -1.946) 6.820 4.224 ( -1.675 -2.888 -3.139) 4.583 4.338 ( 2.085 1.435 0.610) 2.604 4.776 ( 1.082 -1.768 2.273) 3.076 4.862 ( -3.113 -0.252 -0.251) 3.133 5.025 ( 0.569 -2.400 5.545) 6.069 5.283 ( 4.349 1.532 1.180) 4.759 5.441 ( 1.751 -2.923 2.043) 3.973 5.711 ( -1.340 -1.449 -1.046) 2.233 5.982 ( 0.769 -6.682 -4.313) 7.990 6.220 ( -4.825 -0.147 3.330) 5.865 6.320 ( -1.358 0.862 -1.902) 2.491 6.405 ( -2.364 -3.300 0.401) 4.079 6.517 ( 0.750 -0.837 2.577) 2.811 6.644 ( 0.523 0.897 1.066) 1.487 6.742 ( 1.616 -1.927 1.299) 2.830 6.973 ( 0.175 -0.566 1.622) 1.727 7.068 ( -0.317 -7.682 3.662) 8.516 7.434 ( -2.511 4.198 -1.454) 5.103 7.558 ( -2.992 -0.600 2.622) 4.023 7.803 ( 8.156 2.168 -3.680) 9.206 7.941 ( -10.309 12.372 4.670) 16.768 7.990 ( 5.200 -1.707 -4.959) 7.385 8.117 ( 5.932 1.551 -4.402) 7.548 8.278 ( 1.549 -0.269 -5.238) 5.469 8.536 ( 0.450 3.071 -3.386) 4.593 8.586 ( 0.245 0.613 1.762) 1.882 8.889 ( -4.486 -6.317 3.598) 8.542 9.292 ( 4.687 3.163 -5.522) 7.903 9.435 ( -0.405 -1.010 -3.270) 3.447 11.927 ( 0.595 1.459 -0.891) 1.810 11.982 ( -0.504 1.333 1.176) 1.847 12.036 ( -0.882 -0.528 0.828) 1.320 12.323 ( 3.199 -8.571 -8.530) 12.508 12.787 ( 4.233 2.889 5.316) 7.384 12.993 ( 1.049 1.722 -3.260) 3.833 13.154 ( -3.696 -0.844 0.261) 3.800 13.747 ( -3.501 -12.915 -13.273) 18.847 14.307 ( 0.525 7.312 12.731) 14.691 14.523 ( 0.884 2.959 9.493) 9.982 15.315 ( -2.625 11.160 2.873) 11.820 15.891 ( 0.370 -4.236 -6.396) 7.681 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -6.232 14.967 8.778) 18.437 1.452 ( -6.812 14.873 12.036) 20.310 1.926 ( 1.484 4.807 -4.047) 6.457 2.117 ( 0.462 -0.079 -4.356) 4.381 2.256 ( 10.034 -0.900 -1.006) 10.124 2.331 ( 1.043 0.046 2.796) 2.984 2.422 ( 1.376 -1.232 6.452) 6.711 2.561 ( 1.791 -2.683 4.205) 5.300 2.700 ( 2.006 6.371 -3.453) 7.519 2.740 ( 2.980 0.036 2.925) 4.176 2.845 ( -13.449 18.036 9.467) 24.408 2.916 ( -1.117 -7.521 0.171) 7.606 3.149 ( -1.806 -1.775 0.624) 2.608 3.371 ( -0.712 -4.727 -5.188) 7.054 3.515 ( -3.909 -2.842 -4.728) 6.761 3.595 ( -5.639 1.036 -0.543) 5.759 3.634 ( 3.128 0.656 -5.098) 6.017 3.948 ( -2.501 -4.698 0.165) 5.325 4.066 ( 5.440 3.193 4.926) 8.003 4.224 ( 2.370 0.199 0.943) 2.558 4.344 ( -0.977 -0.128 -1.040) 1.433 4.793 ( -0.036 -3.863 -1.708) 4.224 4.852 ( 2.139 -0.309 4.619) 5.100 5.075 ( 1.578 -6.024 6.536) 9.028 5.355 ( 1.057 3.463 2.795) 4.574 5.472 ( 0.547 -1.432 0.218) 1.548 5.646 ( -2.926 -2.829 -2.289) 4.670 6.008 ( 2.327 -4.922 -7.887) 9.584 6.132 ( -4.026 -0.468 4.746) 6.241 6.257 ( -6.878 -2.114 5.688) 9.172 6.397 ( 3.916 1.339 -2.190) 4.682 6.539 ( 1.410 -1.364 -0.871) 2.147 6.683 ( 2.906 0.675 -0.128) 2.986 6.771 ( 0.585 -2.165 1.136) 2.514 7.015 ( 3.555 -2.097 0.088) 4.128 7.037 ( -3.628 -6.486 1.928) 7.677 7.351 ( -4.826 5.472 0.170) 7.298 7.545 ( -0.648 2.568 5.259) 5.888 7.771 ( -6.164 13.706 0.776) 15.048 7.915 ( 2.660 1.747 -1.851) 3.682 8.071 ( 4.222 -1.146 -2.886) 5.241 8.233 ( 6.308 2.449 -5.859) 8.951 8.308 ( 3.245 -1.196 -4.133) 5.389 8.495 ( -4.122 0.004 -1.412) 4.357 8.615 ( 2.112 -2.559 3.171) 4.589 8.802 ( -4.684 -5.068 3.773) 7.865 9.331 ( 0.724 1.976 -7.720) 8.002 9.402 ( -1.055 -0.177 -3.423) 3.587 11.931 ( 0.009 1.186 -0.795) 1.428 11.983 ( 0.151 0.313 0.801) 0.873 12.019 ( -0.646 0.283 0.178) 0.728 12.330 ( 0.675 -8.191 -10.210) 13.107 12.888 ( 0.783 0.436 7.475) 7.529 13.009 ( 1.508 2.632 -3.486) 4.621 13.134 ( 3.642 -1.385 1.661) 4.235 13.619 ( -3.795 -8.570 -13.258) 16.237 14.336 ( -2.070 8.409 12.378) 15.107 14.588 ( 1.786 2.195 7.994) 8.480 15.291 ( -0.240 10.879 2.382) 11.140 15.862 ( -0.850 -4.957 -5.886) 7.742 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.975 18.388 3.635) 18.769 1.722 ( -2.598 14.202 6.882) 15.994 1.914 ( 1.518 -12.071 1.586) 12.269 1.966 ( -1.348 -9.943 1.520) 10.149 2.282 ( 0.608 3.536 -4.831) 6.018 2.358 ( 1.976 -3.016 -4.467) 5.741 2.600 ( 4.786 -0.990 6.966) 8.509 2.610 ( 2.584 -1.966 4.919) 5.894 2.708 ( 0.250 6.751 0.238) 6.760 2.836 ( 7.561 -2.837 -1.958) 8.309 2.905 ( 1.071 4.276 -2.788) 5.216 3.048 ( -2.832 -6.122 -1.990) 7.032 3.122 ( -2.339 7.494 3.268) 8.504 3.134 ( -5.000 2.232 -5.191) 7.545 3.396 ( -5.545 4.431 -3.109) 7.749 3.469 ( -5.990 0.807 -3.159) 6.820 3.661 ( 0.651 -0.046 -1.549) 1.681 3.800 ( 0.669 -10.312 7.263) 12.631 4.217 ( 2.743 3.360 0.047) 4.337 4.285 ( 1.506 -2.570 -1.266) 3.237 4.402 ( -1.000 7.768 9.989) 12.693 4.591 ( -2.407 -9.500 7.671) 12.446 4.910 ( 2.138 -0.544 3.767) 4.365 4.958 ( -0.220 -5.317 2.645) 5.943 5.442 ( -1.510 2.337 0.389) 2.809 5.476 ( 0.871 -0.855 -1.420) 1.872 5.642 ( -1.228 8.115 -5.427) 9.840 5.836 ( -1.712 -8.282 -7.787) 11.496 6.073 ( -2.471 0.086 4.522) 5.154 6.106 ( -2.061 -2.892 3.437) 4.942 6.511 ( 3.104 0.258 -1.928) 3.663 6.531 ( 2.475 -1.837 -1.566) 3.457 6.742 ( -0.644 2.751 2.326) 3.660 6.828 ( -0.936 -4.574 1.472) 4.895 6.898 ( 3.240 5.873 -0.834) 6.759 7.031 ( 5.227 -5.723 -1.766) 7.949 7.419 ( -2.652 7.420 5.154) 9.416 7.550 ( -1.744 -3.938 6.653) 7.925 7.875 ( -4.883 6.128 -1.562) 7.990 7.933 ( -3.382 0.004 -1.430) 3.672 8.155 ( 0.362 3.704 0.412) 3.744 8.256 ( -3.380 -4.019 -2.027) 5.629 8.376 ( 5.054 1.187 -3.630) 6.335 8.400 ( 4.060 -0.965 -4.348) 6.027 8.648 ( 2.448 0.082 4.439) 5.070 8.685 ( -0.872 -2.266 1.592) 2.903 9.320 ( -1.394 1.773 -6.763) 7.129 9.355 ( -0.784 -1.433 -6.391) 6.596 11.942 ( -0.728 0.944 0.106) 1.197 11.962 ( -0.536 -1.001 0.724) 1.347 12.078 ( 1.580 3.556 -4.572) 6.004 12.171 ( 0.825 -5.136 -6.977) 8.702 12.915 ( -2.714 4.846 4.931) 7.427 13.020 ( -0.514 -3.834 1.717) 4.232 13.277 ( 6.023 2.823 -4.267) 7.903 13.390 ( 1.525 -6.500 -9.102) 11.288 14.498 ( -3.881 7.680 11.883) 14.672 14.611 ( -2.556 -2.859 10.357) 11.044 15.523 ( 1.821 8.828 -2.114) 9.258 15.696 ( 0.643 -7.410 -4.050) 8.469 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.932 15.957 4.964) 17.168 1.692 ( -2.122 15.812 5.625) 16.917 1.946 ( -0.317 -11.716 1.014) 11.764 1.970 ( 2.032 -10.230 2.171) 10.654 2.224 ( -4.754 2.472 -2.056) 5.739 2.319 ( -4.168 -5.621 -3.801) 7.963 2.656 ( 0.691 1.647 0.505) 1.857 2.665 ( 1.015 0.198 1.841) 2.111 2.768 ( 3.912 8.388 2.409) 9.564 2.880 ( -1.906 0.325 -8.132) 8.358 2.970 ( -1.959 -0.366 -2.268) 3.019 3.020 ( 4.266 -0.538 2.492) 4.969 3.030 ( -0.696 -0.532 -0.199) 0.899 3.163 ( 1.651 -6.583 1.271) 6.905 3.314 ( 2.564 10.816 -0.323) 11.120 3.404 ( 0.735 0.443 -2.549) 2.690 3.659 ( -0.344 4.891 0.649) 4.946 3.870 ( 4.186 -11.601 2.251) 12.536 4.239 ( -1.081 2.648 0.226) 2.869 4.279 ( -1.585 -0.539 0.521) 1.754 4.400 ( -3.154 5.761 9.273) 11.363 4.570 ( -2.080 -8.259 10.182) 13.274 4.960 ( -0.312 -3.522 2.345) 4.243 4.973 ( 1.877 -3.898 2.318) 4.908 5.381 ( -3.741 5.923 -3.022) 7.629 5.463 ( -1.209 -0.864 -4.340) 4.587 5.622 ( 1.098 4.559 -1.185) 4.837 5.782 ( -0.521 -7.799 -3.992) 8.777 6.089 ( 3.154 0.244 2.133) 3.816 6.131 ( 3.194 -3.642 -0.067) 4.845 6.524 ( -1.119 0.051 -1.362) 1.764 6.546 ( -1.327 -2.292 -0.245) 2.660 6.733 ( -1.055 1.979 2.711) 3.519 6.794 ( -1.830 -3.464 2.091) 4.441 6.968 ( 1.749 7.966 0.925) 8.208 7.120 ( 2.306 -6.160 1.940) 6.858 7.405 ( 0.394 6.744 3.100) 7.433 7.526 ( -1.869 -3.152 4.851) 6.080 7.795 ( -1.999 3.436 -3.338) 5.191 7.851 ( -3.497 -1.662 -4.203) 5.715 8.110 ( -3.258 4.719 0.305) 5.742 8.205 ( -1.752 -3.806 -0.126) 4.192 8.454 ( 3.645 0.917 -4.391) 5.780 8.470 ( 4.056 -0.188 -4.290) 5.906 8.673 ( -0.439 3.296 3.012) 4.486 8.736 ( 3.057 -3.056 4.588) 6.303 9.275 ( -0.379 2.618 -6.664) 7.170 9.328 ( 0.703 -2.208 -6.224) 6.642 11.935 ( 0.021 1.270 -0.033) 1.271 11.964 ( 0.549 -1.492 0.529) 1.676 12.086 ( 0.674 2.973 -4.421) 5.370 12.158 ( 0.240 -3.765 -5.984) 7.074 12.864 ( -3.101 6.456 2.976) 7.756 12.988 ( -2.298 -4.100 0.253) 4.707 13.390 ( 2.971 -1.315 -5.407) 6.308 13.418 ( 5.736 -4.643 -4.721) 8.761 14.439 ( -5.422 8.215 11.845) 15.401 14.567 ( -4.860 -3.550 10.305) 11.933 15.563 ( 2.386 8.013 -1.968) 8.590 15.716 ( 2.556 -6.355 -4.280) 8.077 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 1.044 15.507 3.990) 16.046 1.746 ( 4.226 12.899 4.159) 14.197 1.949 ( 0.187 -6.296 -1.345) 6.441 2.004 ( 0.539 -7.727 2.941) 8.286 2.101 ( -5.948 -1.141 1.959) 6.366 2.214 ( -3.922 -7.904 -1.298) 8.918 2.568 ( -6.804 3.186 -0.743) 7.549 2.652 ( -6.782 -4.520 -2.666) 8.575 2.810 ( 1.669 2.878 -8.505) 9.132 2.844 ( 1.443 6.094 0.821) 6.316 2.862 ( -3.437 5.563 -4.847) 8.140 3.108 ( 4.673 0.924 5.123) 6.996 3.159 ( 6.652 -4.894 1.786) 8.449 3.179 ( 1.509 -9.669 2.947) 10.220 3.441 ( 5.897 6.388 -0.324) 8.700 3.470 ( 5.616 2.513 -2.042) 6.483 3.696 ( 4.001 10.716 3.396) 11.932 3.963 ( 3.696 -11.116 -2.235) 11.925 4.166 ( -5.683 1.843 0.380) 5.987 4.216 ( -4.717 -2.575 -0.230) 5.379 4.363 ( -2.997 8.716 11.609) 14.823 4.582 ( -1.087 -9.770 12.298) 15.744 4.944 ( -1.388 -0.436 0.377) 1.503 5.006 ( 0.308 -5.690 2.695) 6.304 5.296 ( -2.172 8.057 -4.733) 9.594 5.408 ( -1.774 -1.338 -5.406) 5.845 5.666 ( 2.720 2.504 -0.737) 3.770 5.790 ( 1.793 -7.629 -2.476) 8.219 6.203 ( 6.243 -1.217 0.483) 6.378 6.217 ( 5.090 -2.268 -0.204) 5.576 6.469 ( -3.340 -0.275 -0.346) 3.369 6.483 ( -4.257 -1.833 0.183) 4.638 6.717 ( -1.284 1.899 3.247) 3.975 6.773 ( -1.365 -2.639 2.832) 4.105 6.957 ( -3.112 7.747 4.349) 9.413 7.109 ( -4.698 -5.679 6.241) 9.657 7.459 ( 3.547 3.626 -0.310) 5.082 7.538 ( 2.277 -2.298 0.703) 3.311 7.749 ( -2.454 1.604 -2.902) 4.125 7.784 ( 0.663 -1.207 -6.884) 7.020 8.076 ( 0.362 4.573 -2.016) 5.011 8.173 ( -0.700 -4.064 -1.472) 4.379 8.474 ( -1.325 3.376 -0.626) 3.680 8.523 ( 1.870 -0.934 -2.274) 3.088 8.680 ( 0.394 6.284 0.824) 6.350 8.797 ( 1.161 -5.058 4.225) 6.692 9.266 ( 1.917 3.909 -6.650) 7.948 9.343 ( 2.487 -3.213 -5.042) 6.475 11.942 ( 0.792 1.975 -0.478) 2.181 11.987 ( 1.286 -1.969 0.424) 2.389 12.073 ( -0.442 2.787 -3.489) 4.487 12.143 ( 0.391 -3.918 -5.517) 6.778 12.822 ( -1.616 6.396 2.185) 6.950 12.946 ( -1.728 -4.554 0.725) 4.925 13.385 ( -0.614 3.173 -6.296) 7.077 13.516 ( 3.840 -9.676 -5.013) 11.555 14.387 ( -3.352 7.950 12.740) 15.386 14.510 ( -3.816 -3.333 11.331) 12.413 15.593 ( 0.947 8.778 -1.972) 9.046 15.756 ( 2.452 -6.484 -4.822) 8.444 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.335 12.260 0.840) 12.293 1.792 ( 0.500 15.272 3.439) 15.662 1.944 ( 0.929 -2.556 -1.990) 3.370 2.008 ( -1.698 0.696 3.840) 4.256 2.072 ( 2.958 -7.971 0.538) 8.519 2.150 ( -3.087 -10.913 2.115) 11.537 2.435 ( -4.745 0.999 1.050) 4.961 2.477 ( -6.744 -2.013 -1.699) 7.240 2.756 ( -2.547 2.532 -5.666) 6.709 2.817 ( -0.498 -3.952 -5.244) 6.586 2.886 ( 1.366 12.728 -0.051) 12.801 3.164 ( -0.540 -9.826 1.297) 9.926 3.247 ( 4.278 2.808 4.593) 6.876 3.312 ( 5.672 -5.258 -1.009) 7.800 3.546 ( 3.703 6.886 2.368) 8.169 3.594 ( 6.890 1.981 -0.105) 7.170 3.778 ( 0.056 8.353 0.474) 8.367 3.946 ( -3.740 -4.570 -4.350) 7.335 4.039 ( -5.442 2.143 1.613) 6.067 4.145 ( -1.472 -6.453 0.561) 6.643 4.369 ( -0.380 8.607 10.619) 13.675 4.600 ( -1.734 -11.337 12.766) 17.161 4.916 ( -1.240 2.151 0.367) 2.509 5.001 ( -1.545 -4.868 1.512) 5.327 5.288 ( 2.925 6.869 -3.317) 8.169 5.378 ( 0.737 -1.128 -3.456) 3.710 5.709 ( 1.828 1.838 -2.488) 3.593 5.813 ( 1.347 -7.595 -4.018) 8.698 6.277 ( 0.576 1.091 1.422) 1.882 6.330 ( 2.993 -3.467 1.598) 4.851 6.390 ( -3.708 0.213 -0.134) 3.716 6.423 ( -0.296 -2.347 0.469) 2.411 6.712 ( -0.392 1.791 2.724) 3.283 6.743 ( -2.297 0.786 2.136) 3.234 6.921 ( -1.128 1.552 5.176) 5.520 7.006 ( -6.158 -4.657 5.310) 9.371 7.510 ( 1.159 2.774 -0.214) 3.014 7.575 ( -0.945 -3.378 0.678) 3.572 7.737 ( 4.782 5.078 -5.194) 8.697 7.831 ( 5.750 -3.394 -5.924) 8.926 8.100 ( 2.825 3.748 -3.742) 6.003 8.173 ( 0.986 -2.373 -1.521) 2.986 8.396 ( -6.025 7.334 1.943) 9.688 8.521 ( -1.681 -3.714 -0.126) 4.078 8.686 ( -0.077 5.815 -1.018) 5.904 8.808 ( -1.341 -5.985 2.509) 6.627 9.303 ( 3.630 4.145 -5.947) 8.107 9.382 ( 2.571 -3.139 -4.542) 6.090 11.960 ( 1.039 2.607 -0.987) 2.975 12.009 ( 0.373 -1.610 0.541) 1.739 12.051 ( -0.398 2.763 -2.412) 3.689 12.139 ( 1.354 -5.579 -6.128) 8.397 12.818 ( 0.409 5.454 2.849) 6.167 12.929 ( -0.313 -4.625 1.930) 5.021 13.328 ( -2.396 6.753 -6.571) 9.722 13.530 ( -0.049 -12.269 -7.739) 14.506 14.400 ( -0.185 6.927 13.571) 15.237 14.501 ( -1.184 -2.331 12.297) 12.572 15.586 ( -0.784 10.038 -2.178) 10.302 15.773 ( 0.872 -7.400 -5.084) 9.020 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -4.956 15.574 -1.309) 16.396 1.821 ( -3.305 13.667 7.393) 15.886 1.951 ( 0.907 -9.172 -3.106) 9.726 2.017 ( -2.554 -1.102 -0.735) 2.877 2.083 ( 5.071 -1.099 -2.498) 5.759 2.187 ( 4.204 -8.655 3.519) 10.245 2.391 ( -0.421 1.040 5.961) 6.066 2.437 ( 1.840 -1.767 4.347) 5.040 2.707 ( -0.494 1.488 -4.349) 4.623 2.773 ( -1.791 -5.489 -2.904) 6.463 2.908 ( 1.313 12.478 -3.257) 12.963 3.132 ( -2.103 -4.980 0.133) 5.408 3.335 ( 2.078 -0.544 -0.293) 2.168 3.359 ( 0.219 -5.845 -6.631) 8.842 3.528 ( -7.828 13.351 8.470) 17.643 3.712 ( -2.696 3.156 1.867) 4.552 3.721 ( 3.365 2.735 -2.234) 4.878 3.825 ( -5.796 -8.248 -2.615) 10.415 4.043 ( 3.704 4.234 3.769) 6.771 4.131 ( 0.854 -4.868 0.202) 4.947 4.404 ( -0.066 6.073 6.788) 9.109 4.601 ( -1.875 -11.197 10.268) 15.307 4.892 ( -1.598 3.158 2.009) 4.070 4.973 ( -1.285 -3.805 2.152) 4.556 5.366 ( 4.560 4.110 -1.620) 6.349 5.407 ( 2.318 -0.725 -0.695) 2.526 5.712 ( -0.257 2.812 -4.905) 5.659 5.833 ( 2.806 -7.263 -6.552) 10.176 6.236 ( -4.558 1.919 3.274) 5.931 6.297 ( -4.261 -3.335 2.426) 5.930 6.384 ( 1.430 2.047 -0.217) 2.506 6.450 ( 1.298 -3.766 1.074) 4.126 6.702 ( -0.241 2.949 0.832) 3.074 6.738 ( 0.928 0.258 1.451) 1.741 6.928 ( -2.429 -3.362 4.164) 5.877 6.936 ( 0.108 -2.791 2.784) 3.944 7.509 ( -1.770 2.221 0.710) 2.928 7.536 ( -1.128 -0.897 1.638) 2.181 7.869 ( 7.687 4.004 -4.108) 9.592 7.949 ( 6.333 -2.874 -4.580) 8.327 8.165 ( 3.944 2.864 -1.880) 5.224 8.179 ( -1.259 5.840 2.375) 6.429 8.278 ( -3.187 3.889 -3.702) 6.244 8.460 ( -4.039 -8.131 0.671) 9.104 8.665 ( -1.623 4.633 -0.407) 4.926 8.765 ( -3.088 -5.083 1.197) 6.066 9.355 ( 2.876 2.697 -5.764) 6.984 9.404 ( 0.984 -1.924 -4.685) 5.160 11.971 ( 0.066 2.194 -0.529) 2.258 12.001 ( -1.010 -0.406 0.389) 1.156 12.046 ( 0.671 2.771 -2.619) 3.871 12.155 ( 2.252 -6.983 -7.150) 10.245 12.860 ( 2.180 3.879 4.632) 6.423 12.946 ( 0.983 -4.091 3.235) 5.307 13.257 ( -1.724 8.606 -7.075) 11.274 13.478 ( -1.506 -11.963 -9.447) 15.317 14.457 ( 0.632 6.098 13.283) 14.630 14.541 ( 0.476 -1.538 12.260) 12.365 15.551 ( -1.617 10.749 -2.307) 11.112 15.756 ( -0.711 -8.331 -4.961) 9.723 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -2.880 18.049 0.826) 18.296 1.759 ( -3.764 12.894 6.856) 15.081 1.918 ( -2.081 -11.102 -1.201) 11.359 1.981 ( -0.346 -6.702 0.689) 6.746 2.231 ( 6.167 0.785 -3.145) 6.967 2.284 ( 5.260 -3.028 -1.060) 6.161 2.465 ( 4.455 2.823 8.556) 10.051 2.519 ( 3.559 -1.979 5.784) 7.074 2.706 ( 1.069 -0.731 -0.401) 1.356 2.744 ( 0.874 -3.828 -3.273) 5.112 2.913 ( 0.495 9.678 -4.986) 10.898 3.092 ( -1.598 -3.748 -0.955) 4.185 3.249 ( -8.662 4.896 -0.637) 9.970 3.270 ( -5.311 -1.168 -6.667) 8.603 3.462 ( -1.233 7.980 3.973) 8.999 3.632 ( -6.797 2.122 -1.677) 7.315 3.674 ( -2.008 -0.778 -5.523) 5.928 3.782 ( -1.253 -10.674 8.833) 13.911 4.139 ( 4.351 3.539 0.610) 5.641 4.211 ( 5.209 -2.370 0.925) 5.797 4.403 ( -1.867 6.737 6.622) 9.629 4.601 ( -1.309 -10.953 7.410) 13.289 4.877 ( -0.417 2.610 3.651) 4.507 4.961 ( -1.025 -5.030 3.310) 6.109 5.437 ( 2.198 1.647 0.035) 2.747 5.449 ( 1.570 -0.551 0.007) 1.664 5.682 ( -0.462 7.018 -6.668) 9.692 5.865 ( 2.117 -8.479 -8.766) 12.378 6.140 ( -5.439 1.530 4.800) 7.414 6.195 ( -6.726 -3.296 5.330) 9.194 6.434 ( 3.867 1.998 -1.565) 4.625 6.484 ( 2.286 -2.761 -1.244) 3.795 6.726 ( 1.607 3.068 1.189) 3.661 6.780 ( 3.020 0.373 -0.327) 3.060 6.902 ( -1.893 -2.474 3.191) 4.460 6.956 ( 2.021 -4.371 -0.670) 4.862 7.462 ( -2.827 4.909 3.161) 6.487 7.544 ( 0.063 -2.417 4.318) 4.949 7.962 ( 0.770 3.220 -1.350) 3.575 7.990 ( -2.638 2.370 -0.562) 3.590 8.127 ( 0.098 9.099 0.981) 9.153 8.276 ( 6.406 1.460 -5.313) 8.450 8.281 ( 3.090 -1.507 -4.395) 5.580 8.380 ( -3.097 -9.723 0.567) 10.220 8.626 ( -1.598 3.517 1.652) 4.202 8.712 ( -2.131 -4.058 1.103) 4.715 9.364 ( 0.016 1.339 -6.775) 6.906 9.390 ( -0.410 -0.974 -5.082) 5.191 11.960 ( -0.871 1.223 0.078) 1.504 11.979 ( -1.220 -0.613 0.706) 1.537 12.059 ( 1.637 3.703 -4.047) 5.725 12.171 ( 1.742 -6.661 -7.529) 10.203 12.919 ( 0.730 2.630 6.139) 6.719 12.988 ( 1.851 -3.421 3.775) 5.420 13.222 ( 1.280 8.050 -7.221) 10.889 13.416 ( -0.714 -9.858 -10.049) 14.095 14.504 ( -0.930 6.582 12.516) 14.172 14.594 ( 0.178 -1.858 11.343) 11.495 15.517 ( -0.539 10.297 -2.242) 10.552 15.718 ( -1.017 -8.457 -4.483) 9.626 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -12.436 0.000 18.000) 21.878 1.368 ( -3.354 0.000 18.322) 18.627 1.746 ( 9.521 0.000 -8.698) 12.896 1.790 ( 1.679 0.000 -3.846) 4.197 2.314 ( -3.753 0.000 24.956) 25.236 2.320 ( -4.807 0.000 -1.966) 5.194 2.403 ( 8.292 0.000 -2.982) 8.812 2.768 ( 0.799 0.000 5.283) 5.343 2.769 ( 11.283 0.000 1.932) 11.447 2.874 ( -7.518 0.000 2.832) 8.034 2.927 ( 3.256 0.000 -3.149) 4.530 3.042 ( -0.578 0.000 -3.229) 3.281 3.093 ( -1.690 0.000 -3.294) 3.702 3.255 ( 0.438 0.000 -3.252) 3.281 3.489 ( -10.867 0.000 -1.488) 10.968 3.553 ( -7.705 0.000 6.660) 10.185 3.777 ( 12.282 0.000 -1.509) 12.374 3.790 ( -0.826 0.000 1.616) 1.815 4.081 ( 0.754 0.000 -11.151) 11.176 4.162 ( 0.048 0.000 -0.187) 0.193 4.281 ( -2.177 0.000 -3.713) 4.304 4.465 ( 3.718 0.000 -7.095) 8.010 5.351 ( 8.046 0.000 0.910) 8.097 5.385 ( -5.423 0.000 -0.651) 5.462 5.442 ( -6.072 0.000 11.036) 12.596 5.577 ( 6.485 0.000 5.173) 8.295 5.726 ( -0.383 0.000 -3.349) 3.371 5.935 ( 4.796 0.000 -11.092) 12.084 6.229 ( -1.303 0.000 5.145) 5.307 6.352 ( -10.021 0.000 6.644) 12.024 6.406 ( 6.474 0.000 -2.972) 7.124 6.498 ( 3.205 0.000 -2.761) 4.230 6.709 ( -9.335 0.000 3.551) 9.987 6.789 ( 4.532 0.000 -0.634) 4.576 7.060 ( -1.661 0.000 -0.754) 1.824 7.104 ( 0.510 0.000 -2.855) 2.900 7.159 ( -5.682 0.000 -0.711) 5.727 7.166 ( 7.897 0.000 0.145) 7.898 7.553 ( -3.379 0.000 13.691) 14.102 7.919 ( 0.098 0.000 -1.868) 1.871 8.127 ( -0.888 0.000 -2.991) 3.120 8.200 ( 3.973 0.000 -6.080) 7.263 8.317 ( -2.635 0.000 -1.540) 3.052 8.360 ( 4.499 0.000 -2.015) 4.930 8.930 ( -15.334 0.000 4.468) 15.971 8.939 ( 5.909 0.000 6.996) 9.158 9.088 ( 6.603 0.000 -3.786) 7.611 9.207 ( -4.387 0.000 -6.101) 7.515 11.993 ( -0.961 0.000 4.798) 4.894 12.017 ( -0.570 0.000 2.397) 2.464 12.032 ( -0.165 0.000 0.343) 0.381 12.272 ( -1.602 0.000 -8.589) 8.737 12.833 ( 4.703 0.000 1.830) 5.047 13.041 ( -10.925 0.000 -7.826) 13.439 13.413 ( -5.035 0.000 5.323) 7.327 13.518 ( 13.132 0.000 -0.454) 13.140 14.309 ( 0.275 0.000 2.007) 2.026 14.415 ( 0.986 0.000 -3.901) 4.023 15.298 ( -0.015 0.000 14.332) 14.332 15.761 ( 0.594 0.000 -9.693) 9.711 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -2.679 0.000 15.827) 16.052 1.430 ( 3.284 0.000 15.923) 16.258 1.783 ( -0.870 0.000 -3.669) 3.771 1.886 ( 5.031 0.000 -5.614) 7.539 2.268 ( 1.512 0.000 -6.364) 6.541 2.399 ( -0.543 0.000 21.101) 21.108 2.518 ( 3.003 0.000 -2.777) 4.090 2.713 ( -5.566 0.000 4.958) 7.454 2.751 ( -12.601 0.000 -1.929) 12.747 2.823 ( 4.701 0.000 1.341) 4.889 2.964 ( -3.679 0.000 -7.548) 8.397 3.010 ( 7.649 0.000 1.842) 7.868 3.196 ( -7.571 0.000 -4.618) 8.869 3.219 ( 8.237 0.000 2.314) 8.556 3.383 ( 2.048 0.000 6.368) 6.689 3.462 ( -0.924 0.000 3.687) 3.801 3.801 ( -1.229 0.000 8.485) 8.573 4.005 ( 9.145 0.000 -1.991) 9.359 4.052 ( 1.506 0.000 -13.698) 13.781 4.124 ( -3.144 0.000 -0.601) 3.201 4.193 ( -4.386 0.000 -5.165) 6.776 4.493 ( 1.421 0.000 -8.348) 8.468 5.223 ( -7.512 0.000 -3.599) 8.330 5.278 ( -7.996 0.000 3.181) 8.605 5.368 ( -5.868 0.000 13.139) 14.390 5.729 ( 0.773 0.000 -2.431) 2.551 5.856 ( 8.741 0.000 -0.859) 8.783 6.008 ( 5.704 0.000 -11.558) 12.889 6.196 ( -0.016 0.000 2.426) 2.427 6.319 ( 5.799 0.000 5.529) 8.012 6.454 ( 1.299 0.000 -5.970) 6.110 6.568 ( -5.688 0.000 3.803) 6.842 6.618 ( 5.847 0.000 0.958) 5.925 6.866 ( 1.271 0.000 3.782) 3.990 6.956 ( -7.484 0.000 -0.447) 7.498 7.007 ( -2.506 0.000 0.948) 2.679 7.221 ( 6.830 0.000 -3.815) 7.823 7.383 ( 11.637 0.000 -1.473) 11.730 7.557 ( -0.869 0.000 12.389) 12.419 7.929 ( 1.405 0.000 -1.397) 1.982 8.070 ( -3.321 0.000 -2.298) 4.038 8.191 ( -3.683 0.000 -4.546) 5.851 8.256 ( -1.569 0.000 -5.178) 5.411 8.395 ( -1.393 0.000 -1.295) 1.902 8.640 ( -12.385 0.000 9.205) 15.431 9.029 ( -5.964 0.000 -7.009) 9.203 9.076 ( 4.608 0.000 7.214) 8.561 9.267 ( 6.970 0.000 -1.890) 7.222 11.994 ( -0.754 0.000 5.719) 5.769 12.014 ( -0.496 0.000 2.477) 2.527 12.039 ( 0.606 0.000 0.257) 0.659 12.239 ( 1.061 0.000 -4.968) 5.080 12.823 ( -7.262 0.000 -5.156) 8.907 12.891 ( -0.842 0.000 2.955) 3.072 13.361 ( -0.655 0.000 3.477) 3.538 13.765 ( 10.858 0.000 -4.176) 11.634 14.329 ( 0.809 0.000 2.060) 2.214 14.383 ( -2.363 0.000 -5.417) 5.910 15.353 ( -0.037 0.000 13.029) 13.029 15.745 ( 1.469 0.000 -9.930) 10.038 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 10.473 0.000 11.791) 15.771 1.592 ( 6.895 0.000 9.732) 11.927 1.746 ( -1.743 0.000 -0.067) 1.744 1.938 ( 2.320 0.000 0.216) 2.330 2.255 ( -0.924 0.000 -14.464) 14.494 2.276 ( -12.135 0.000 3.152) 12.537 2.443 ( -16.171 0.000 1.582) 16.248 2.525 ( 0.038 0.000 -5.785) 5.785 2.797 ( 4.566 0.000 16.899) 17.505 2.908 ( 0.926 0.000 -3.701) 3.815 2.949 ( 5.075 0.000 -2.587) 5.696 3.036 ( -3.921 0.000 1.414) 4.168 3.060 ( -1.601 0.000 6.115) 6.321 3.437 ( 11.209 0.000 3.775) 11.827 3.479 ( 3.123 0.000 6.170) 6.915 3.553 ( 6.842 0.000 1.923) 7.107 3.756 ( -6.087 0.000 8.829) 10.724 3.967 ( -8.837 0.000 6.068) 10.720 4.048 ( 2.106 0.000 -14.216) 14.371 4.086 ( -3.467 0.000 -6.051) 6.974 4.184 ( 6.423 0.000 -9.041) 11.091 4.470 ( 0.025 0.000 -10.207) 10.207 5.103 ( -1.875 0.000 -5.035) 5.373 5.122 ( -7.937 0.000 2.640) 8.365 5.323 ( -2.939 0.000 15.605) 15.879 5.736 ( 0.724 0.000 -1.066) 1.288 5.849 ( -5.383 0.000 5.412) 7.634 6.068 ( 3.961 0.000 -13.272) 13.850 6.270 ( 3.442 0.000 1.636) 3.811 6.439 ( -1.264 0.000 -3.357) 3.587 6.483 ( -1.360 0.000 2.930) 3.230 6.597 ( 15.437 0.000 -2.762) 15.682 6.671 ( -1.511 0.000 -0.893) 1.755 6.829 ( -3.982 0.000 2.912) 4.933 6.878 ( -1.687 0.000 4.973) 5.251 6.970 ( -1.456 0.000 1.313) 1.961 7.376 ( 8.336 0.000 -3.063) 8.881 7.566 ( 3.098 0.000 4.790) 5.704 7.634 ( 7.403 0.000 -0.160) 7.405 7.960 ( 1.451 0.000 -1.135) 1.842 8.007 ( -0.755 0.000 -3.658) 3.736 8.015 ( -11.183 0.000 3.787) 11.807 8.221 ( 0.202 0.000 -6.344) 6.347 8.287 ( -7.599 0.000 -0.651) 7.627 8.535 ( -2.136 0.000 6.496) 6.838 8.902 ( -2.977 0.000 -8.798) 9.288 9.183 ( 3.303 0.000 7.013) 7.752 9.379 ( 4.163 0.000 -1.452) 4.409 11.999 ( -0.651 0.000 4.308) 4.357 12.016 ( -0.672 0.000 5.361) 5.403 12.054 ( 0.699 0.000 -0.182) 0.723 12.280 ( 4.214 0.000 -4.150) 5.914 12.704 ( -2.599 0.000 -4.784) 5.444 12.827 ( -4.778 0.000 -0.075) 4.779 13.406 ( 2.462 0.000 6.203) 6.674 13.925 ( 6.353 0.000 -8.137) 10.323 14.298 ( -3.730 0.000 -2.104) 4.283 14.349 ( 0.414 0.000 1.141) 1.214 15.374 ( -2.424 0.000 12.684) 12.913 15.752 ( 2.480 0.000 -9.531) 9.848 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 7.622 0.000 11.616) 13.894 1.707 ( -0.844 0.000 3.931) 4.021 1.742 ( 3.106 0.000 2.445) 3.953 1.943 ( -5.455 0.000 -2.941) 6.197 2.036 ( -10.077 0.000 0.938) 10.120 2.173 ( -3.031 0.000 3.948) 4.977 2.211 ( 1.375 0.000 -8.529) 8.639 2.510 ( 1.272 0.000 -9.126) 9.214 2.844 ( -1.888 0.000 8.530) 8.736 2.912 ( -2.897 0.000 0.338) 2.917 2.972 ( 0.285 0.000 -1.062) 1.099 3.000 ( 0.274 0.000 -0.288) 0.398 3.184 ( 3.093 0.000 19.016) 19.266 3.510 ( -1.503 0.000 5.544) 5.744 3.552 ( -6.208 0.000 5.778) 8.481 3.693 ( 1.086 0.000 7.703) 7.779 3.742 ( 11.207 0.000 -3.195) 11.653 3.847 ( -2.316 0.000 2.567) 3.457 4.013 ( -0.859 0.000 -11.996) 12.027 4.027 ( -0.174 0.000 -7.149) 7.151 4.237 ( 1.942 0.000 -6.431) 6.718 4.437 ( 0.639 0.000 -11.995) 12.012 4.980 ( -6.207 0.000 2.449) 6.673 5.117 ( 4.594 0.000 -4.357) 6.332 5.359 ( 0.510 0.000 16.046) 16.054 5.756 ( -5.213 0.000 5.781) 7.785 5.760 ( 1.934 0.000 -0.299) 1.957 6.066 ( 0.622 0.000 -13.831) 13.845 6.317 ( -0.051 0.000 3.646) 3.646 6.374 ( -4.443 0.000 -0.336) 4.456 6.483 ( 0.737 0.000 4.121) 4.186 6.597 ( -4.172 0.000 0.236) 4.178 6.742 ( -4.426 0.000 0.978) 4.533 6.880 ( 9.564 0.000 -4.560) 10.595 6.907 ( 2.422 0.000 2.155) 3.242 6.969 ( 2.967 0.000 0.451) 3.001 7.493 ( 2.876 0.000 -1.007) 3.047 7.547 ( -8.276 0.000 1.071) 8.345 7.733 ( 2.144 0.000 2.317) 3.157 7.923 ( 2.966 0.000 2.810) 4.086 7.957 ( 0.072 0.000 -3.740) 3.741 8.032 ( 2.938 0.000 -2.481) 3.846 8.106 ( -8.860 0.000 1.257) 8.949 8.227 ( 2.480 0.000 -4.629) 5.251 8.551 ( 1.644 0.000 4.281) 4.586 8.857 ( 1.727 0.000 -9.945) 10.094 9.258 ( 1.580 0.000 5.773) 5.985 9.424 ( 0.926 0.000 -2.445) 2.615 11.997 ( -0.669 0.000 2.905) 2.981 12.023 ( -0.947 0.000 7.353) 7.414 12.063 ( 0.214 0.000 -0.426) 0.476 12.360 ( 4.785 0.000 -7.550) 8.939 12.688 ( 2.717 0.000 -1.709) 3.210 12.733 ( -3.267 0.000 -2.679) 4.225 13.477 ( 1.367 0.000 9.186) 9.287 13.929 ( -2.552 0.000 -15.073) 15.287 14.263 ( 0.347 0.000 4.803) 4.816 14.348 ( -0.704 0.000 0.094) 0.710 15.348 ( -4.329 0.000 13.110) 13.806 15.774 ( 2.618 0.000 -8.934) 9.310 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -7.286 0.000 17.614) 19.062 1.567 ( -10.274 0.000 5.093) 11.467 1.768 ( -7.508 0.000 -6.134) 9.695 1.788 ( -2.473 0.000 -2.935) 3.838 2.040 ( 10.004 0.000 2.311) 10.268 2.221 ( 6.553 0.000 2.552) 7.033 2.381 ( 11.382 0.000 -0.951) 11.422 2.517 ( 1.345 0.000 -4.352) 4.555 2.805 ( -8.777 0.000 0.868) 8.820 2.825 ( -4.884 0.000 0.625) 4.924 2.912 ( -4.374 0.000 17.764) 18.295 2.992 ( 1.141 0.000 -0.266) 1.172 3.304 ( 4.650 0.000 9.840) 10.883 3.391 ( -7.544 0.000 -2.503) 7.948 3.482 ( -3.061 0.000 1.494) 3.406 3.724 ( -2.282 0.000 9.285) 9.561 3.875 ( -0.059 0.000 -3.162) 3.163 3.923 ( 0.689 0.000 -1.283) 1.456 3.967 ( 6.188 0.000 -11.791) 13.316 4.008 ( 3.261 0.000 -6.201) 7.006 4.263 ( 2.415 0.000 -1.391) 2.787 4.408 ( 0.959 0.000 -11.874) 11.912 4.914 ( -0.291 0.000 4.414) 4.423 5.240 ( 7.877 0.000 -2.993) 8.426 5.438 ( 1.315 0.000 14.316) 14.376 5.674 ( -4.786 0.000 5.277) 7.124 5.804 ( 1.837 0.000 -0.486) 1.900 6.003 ( -2.265 0.000 -11.227) 11.453 6.272 ( -3.957 0.000 -0.029) 3.957 6.300 ( -2.713 0.000 4.925) 5.623 6.525 ( -2.459 0.000 -0.561) 2.522 6.527 ( 1.003 0.000 4.987) 5.087 6.689 ( -0.055 0.000 -3.252) 3.253 6.925 ( 0.426 0.000 0.061) 0.430 6.973 ( 3.415 0.000 0.080) 3.416 7.093 ( 4.061 0.000 -4.310) 5.922 7.299 ( -13.290 0.000 1.394) 13.363 7.474 ( -4.316 0.000 -0.088) 4.317 7.739 ( -6.747 0.000 9.108) 11.335 7.947 ( 0.141 0.000 -3.852) 3.854 7.962 ( 3.528 0.000 -1.366) 3.783 8.086 ( 2.986 0.000 -2.515) 3.904 8.100 ( 7.414 0.000 -2.697) 7.889 8.286 ( 3.926 0.000 -1.977) 4.396 8.633 ( 4.804 0.000 4.623) 6.667 8.887 ( 4.206 0.000 -9.428) 10.323 9.275 ( -1.977 0.000 3.532) 4.048 9.403 ( -1.803 0.000 -3.820) 4.224 11.995 ( -0.463 0.000 2.663) 2.703 12.026 ( -1.225 0.000 6.730) 6.840 12.058 ( -0.528 0.000 -0.294) 0.605 12.391 ( 1.433 0.000 -12.219) 12.302 12.690 ( 0.391 0.000 -2.997) 3.022 12.827 ( 10.750 0.000 1.290) 10.827 13.515 ( -1.309 0.000 10.291) 10.374 13.740 ( -9.978 0.000 -13.785) 17.017 14.316 ( 2.465 0.000 4.196) 4.867 14.326 ( -1.215 0.000 -0.149) 1.224 15.301 ( -4.571 0.000 13.803) 14.540 15.789 ( 1.765 0.000 -8.709) 8.886 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -11.444 0.000 18.865) 22.065 1.423 ( -6.970 0.000 13.381) 15.088 1.653 ( 0.578 0.000 -7.990) 8.011 1.762 ( 1.093 0.000 -1.911) 2.202 2.239 ( 8.670 0.000 -2.697) 9.080 2.371 ( 3.770 0.000 1.233) 3.966 2.423 ( -12.316 0.000 16.405) 20.513 2.575 ( 7.166 0.000 -2.694) 7.656 2.709 ( 2.382 0.000 2.384) 3.370 2.783 ( 3.604 0.000 3.747) 5.199 2.937 ( -1.467 0.000 11.649) 11.741 3.024 ( 2.056 0.000 -0.816) 2.212 3.236 ( -6.243 0.000 -7.638) 9.865 3.321 ( -4.569 0.000 -3.045) 5.490 3.539 ( 9.367 0.000 2.014) 9.581 3.669 ( -5.798 0.000 9.107) 10.797 3.727 ( -9.589 0.000 -6.209) 11.424 3.848 ( -3.937 0.000 -2.890) 4.884 4.072 ( 4.501 0.000 -10.324) 11.263 4.118 ( 4.829 0.000 -1.452) 5.042 4.302 ( 1.138 0.000 -1.965) 2.271 4.413 ( 3.249 0.000 -8.266) 8.882 5.048 ( 11.882 0.000 5.946) 13.287 5.382 ( 5.395 0.000 -1.472) 5.592 5.489 ( -1.700 0.000 12.807) 12.919 5.594 ( -4.537 0.000 4.582) 6.448 5.796 ( -3.739 0.000 0.718) 3.807 5.915 ( 0.064 0.000 -12.448) 12.448 6.255 ( -2.988 0.000 5.353) 6.130 6.276 ( 4.644 0.000 -1.105) 4.773 6.491 ( -0.298 0.000 -3.405) 3.418 6.511 ( -5.427 0.000 5.641) 7.828 6.712 ( 3.262 0.000 -3.361) 4.684 6.920 ( -8.330 0.000 2.205) 8.617 7.003 ( -0.224 0.000 -1.961) 1.974 7.044 ( 3.679 0.000 -1.442) 3.952 7.160 ( -2.475 0.000 -1.301) 2.796 7.337 ( -8.333 0.000 -0.334) 8.340 7.610 ( -7.155 0.000 12.959) 14.803 7.932 ( -0.348 0.000 -2.858) 2.879 8.091 ( 7.602 0.000 -3.800) 8.499 8.127 ( 1.731 0.000 -3.026) 3.486 8.247 ( 7.217 0.000 -3.907) 8.207 8.342 ( 1.030 0.000 -0.151) 1.041 8.777 ( 6.905 0.000 5.874) 9.065 8.962 ( 6.222 0.000 -7.143) 9.473 9.179 ( -8.768 0.000 1.995) 8.993 9.325 ( -4.095 0.000 -5.078) 6.524 11.995 ( -0.592 0.000 3.206) 3.260 12.021 ( -1.095 0.000 4.583) 4.712 12.043 ( -0.782 0.000 0.049) 0.784 12.344 ( -1.290 0.000 -12.114) 12.183 12.731 ( 4.148 0.000 -1.111) 4.294 13.096 ( 13.055 0.000 -4.834) 13.921 13.457 ( -11.574 0.000 -4.754) 12.512 13.491 ( -4.317 0.000 8.759) 9.765 14.307 ( -0.618 0.000 0.846) 1.048 14.379 ( 2.668 0.000 0.489) 2.713 15.273 ( -2.751 0.000 14.586) 14.843 15.782 ( 0.753 0.000 -9.068) 9.099 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -7.783 6.314 16.197) 19.047 1.391 ( -3.734 4.817 19.644) 20.568 1.776 ( 8.260 4.388 -8.727) 12.792 1.902 ( 1.047 7.530 -5.711) 9.509 2.287 ( -4.247 -1.822 -1.331) 4.810 2.363 ( 6.379 -2.717 -5.746) 9.005 2.515 ( -2.583 14.218 18.961) 23.840 2.716 ( 5.799 -2.877 7.482) 9.893 2.770 ( 3.133 -0.056 3.315) 4.562 2.826 ( -1.361 -3.001 2.414) 4.085 2.934 ( -3.873 -1.447 -2.244) 4.704 3.013 ( 3.634 -2.351 5.464) 6.971 3.072 ( -1.479 -0.944 -7.979) 8.170 3.226 ( -3.854 -3.177 -6.885) 8.506 3.470 ( -8.140 -5.163 3.756) 10.345 3.532 ( -5.301 2.672 0.157) 5.938 3.602 ( 5.224 -9.348 0.519) 10.721 3.913 ( 4.161 4.391 -4.858) 7.758 4.087 ( 1.766 0.878 -5.924) 6.243 4.221 ( 0.828 3.602 -2.204) 4.303 4.286 ( -1.537 2.251 1.800) 3.266 4.563 ( 1.365 7.115 -7.981) 10.779 5.245 ( 9.221 -8.116 3.791) 12.855 5.354 ( -5.406 -3.030 -1.851) 6.467 5.427 ( -5.166 -1.869 10.647) 11.981 5.503 ( -0.236 -5.035 5.951) 7.799 5.694 ( 2.106 -3.174 -2.508) 4.561 5.906 ( 3.029 -2.639 -10.630) 11.364 6.221 ( -0.511 -0.996 4.370) 4.511 6.293 ( -7.274 -3.394 4.686) 9.295 6.438 ( 5.747 2.098 -1.713) 6.354 6.519 ( 2.482 1.516 -2.008) 3.534 6.747 ( 0.438 0.792 1.708) 1.933 6.832 ( -1.931 -1.087 -2.353) 3.232 6.986 ( -6.869 -1.104 1.282) 7.075 7.080 ( 6.016 0.179 -3.414) 6.919 7.211 ( 0.926 4.723 2.225) 5.302 7.324 ( -1.833 11.049 -2.134) 11.402 7.596 ( -3.052 3.781 11.636) 12.609 7.934 ( 0.298 1.163 -0.320) 1.243 8.112 ( -0.097 -1.260 -3.081) 3.330 8.153 ( 2.492 -2.397 -6.478) 7.343 8.330 ( 2.552 0.372 -1.302) 2.889 8.388 ( 0.176 1.474 -3.177) 3.507 8.856 ( -3.322 -4.776 5.995) 8.354 8.911 ( -2.556 -2.404 6.944) 7.780 9.126 ( 2.582 1.877 -5.002) 5.934 9.230 ( -2.776 1.542 -6.401) 7.145 11.973 ( -1.083 -1.756 4.682) 5.116 12.013 ( -0.161 -0.051 1.098) 1.111 12.025 ( -0.111 -0.706 0.638) 0.958 12.227 ( -0.720 -3.704 -8.222) 9.047 12.861 ( 1.814 2.370 1.474) 3.329 12.997 ( -6.689 -2.477 -3.325) 7.870 13.414 ( -2.250 -1.212 -0.952) 2.727 13.468 ( 9.992 -4.403 -0.168) 10.921 14.341 ( -2.211 5.025 6.101) 8.207 14.531 ( 1.359 8.045 -3.786) 8.995 15.328 ( 0.271 2.621 11.992) 12.278 15.750 ( 0.412 -1.173 -9.261) 9.344 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.051 10.740 13.641) 17.628 1.461 ( 3.476 3.364 16.940) 17.617 1.856 ( -0.239 6.301 -6.220) 8.857 1.919 ( 3.858 2.891 -5.249) 7.127 2.248 ( 1.522 -1.403 -4.715) 5.149 2.451 ( 2.404 -4.983 -3.897) 6.767 2.563 ( -4.426 12.190 13.006) 18.366 2.701 ( -2.857 -1.096 6.073) 6.801 2.732 ( -9.465 -0.847 -0.434) 9.513 2.810 ( 3.672 -1.683 1.961) 4.490 2.922 ( -1.283 -3.883 -0.470) 4.116 2.986 ( 0.389 -0.187 -1.812) 1.862 3.161 ( 6.376 -4.580 -1.376) 7.971 3.207 ( 0.419 0.472 -1.795) 1.902 3.372 ( 0.213 -4.186 6.968) 8.132 3.481 ( 0.815 4.670 1.662) 5.023 3.671 ( 0.049 -8.995 6.534) 11.118 4.001 ( 5.205 -0.322 -11.402) 12.538 4.113 ( 3.349 1.430 -5.243) 6.383 4.188 ( -2.222 3.764 -4.291) 6.125 4.240 ( -4.241 6.770 4.424) 9.132 4.541 ( -0.558 3.987 -8.111) 9.055 5.206 ( -6.433 -1.280 -2.963) 7.197 5.273 ( -6.139 -0.932 2.723) 6.780 5.348 ( -4.171 -1.700 10.943) 11.834 5.599 ( 2.905 -11.047 4.271) 12.196 5.771 ( 5.161 -5.542 -1.978) 7.827 5.944 ( 3.492 -4.884 -8.957) 10.783 6.207 ( 0.597 -0.049 0.404) 0.723 6.273 ( 3.602 -3.131 5.151) 7.022 6.464 ( 0.282 0.602 -4.172) 4.225 6.618 ( 0.970 4.777 1.244) 5.031 6.708 ( -0.351 1.743 -1.344) 2.229 6.819 ( -1.304 -4.464 0.791) 4.717 6.884 ( -2.461 0.527 2.488) 3.539 7.187 ( -2.288 11.195 0.588) 11.441 7.220 ( 7.052 1.341 -2.038) 7.462 7.383 ( 6.362 -0.702 1.500) 6.574 7.603 ( 0.497 4.202 6.955) 8.141 7.942 ( 0.513 0.607 -0.017) 0.795 8.021 ( -6.337 -3.116 -0.908) 7.120 8.173 ( 1.496 -0.050 -7.889) 8.030 8.321 ( -1.414 3.128 -5.159) 6.197 8.401 ( -0.900 0.600 -0.597) 1.236 8.647 ( -10.596 0.855 9.392) 14.185 9.026 ( 4.978 -3.876 6.965) 9.397 9.047 ( -5.348 1.528 -7.000) 8.940 9.278 ( 5.708 0.408 -2.718) 6.335 11.971 ( -0.783 -1.870 5.175) 5.558 12.012 ( -0.156 0.060 1.147) 1.159 12.036 ( 0.688 -0.405 0.751) 1.096 12.204 ( 1.127 -3.126 -5.729) 6.623 12.778 ( -6.310 -1.009 0.013) 6.391 12.958 ( -0.358 3.267 -0.477) 3.321 13.353 ( -1.359 -0.918 0.386) 1.685 13.697 ( 10.780 -6.588 -5.744) 13.878 14.311 ( -2.695 3.031 5.568) 6.889 14.523 ( -0.822 8.311 -2.506) 8.719 15.379 ( 0.209 2.370 10.813) 11.071 15.736 ( 1.597 -0.992 -9.403) 9.589 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.105 6.644 11.226) 14.854 1.616 ( 5.100 2.366 10.298) 11.732 1.803 ( -1.793 4.477 -1.522) 5.057 1.981 ( 2.915 4.244 -0.755) 5.203 2.244 ( -0.565 -0.833 -12.895) 12.935 2.339 ( -12.259 -4.288 1.375) 13.060 2.379 ( -10.242 5.174 1.462) 11.567 2.568 ( -3.385 2.529 -5.759) 7.143 2.787 ( -0.907 -3.322 5.291) 6.313 2.843 ( 1.342 -2.131 4.589) 5.235 2.943 ( 6.088 -2.146 -0.139) 6.456 3.017 ( 0.201 -0.061 3.829) 3.834 3.154 ( -0.117 7.234 2.972) 7.822 3.341 ( 8.074 -4.714 2.456) 9.667 3.475 ( 5.150 -5.665 1.789) 7.862 3.585 ( 6.174 5.090 6.474) 10.293 3.651 ( -3.996 -7.053 8.331) 11.624 3.987 ( -4.110 -0.473 -4.762) 6.308 4.101 ( -1.615 2.218 -10.284) 10.643 4.151 ( -2.972 5.557 -2.630) 6.828 4.205 ( 3.275 3.408 -1.843) 5.073 4.502 ( 0.448 3.424 -8.824) 9.476 5.089 ( -4.513 -1.300 -1.461) 4.919 5.141 ( -5.275 1.641 -1.642) 5.763 5.326 ( -2.233 -0.245 14.999) 15.166 5.631 ( 0.006 -8.737 4.299) 9.737 5.797 ( -2.138 -4.912 0.795) 5.416 5.992 ( 4.337 -6.036 -10.632) 12.972 6.269 ( 3.592 -0.599 -0.773) 3.723 6.411 ( 3.403 -3.801 -0.484) 5.125 6.456 ( 2.720 -1.524 -0.092) 3.119 6.593 ( -0.245 4.658 1.488) 4.896 6.665 ( -3.753 -4.475 -0.810) 5.896 6.791 ( -2.914 -2.250 2.880) 4.674 6.907 ( 3.524 2.913 1.743) 4.893 7.123 ( -3.536 11.223 0.815) 11.795 7.371 ( 6.798 0.628 0.824) 6.876 7.525 ( 5.624 -4.344 1.584) 7.280 7.663 ( 3.744 1.804 -0.546) 4.191 7.891 ( -5.036 -3.418 -0.823) 6.142 7.951 ( -0.027 -2.055 -0.111) 2.058 8.126 ( -3.937 4.105 -4.408) 7.196 8.262 ( -1.454 4.251 -3.251) 5.546 8.336 ( -3.980 3.990 -0.693) 5.678 8.557 ( -2.036 2.089 7.016) 7.598 8.932 ( -2.465 2.576 -8.936) 9.621 9.141 ( 3.657 -3.507 7.028) 8.663 9.371 ( 3.714 -1.025 -2.223) 4.448 11.976 ( -0.616 -2.118 5.564) 5.986 12.013 ( -0.360 0.332 1.921) 1.983 12.053 ( 0.624 -0.223 0.427) 0.788 12.233 ( 3.390 -4.274 -5.504) 7.749 12.685 ( -2.319 0.528 -0.278) 2.394 12.905 ( -3.647 4.672 -2.794) 6.552 13.365 ( 1.038 -3.316 4.428) 5.628 13.843 ( 5.690 -8.206 -11.383) 15.143 14.281 ( -1.678 3.530 6.759) 7.808 14.491 ( -1.536 8.257 -0.182) 8.400 15.399 ( -2.126 2.293 10.770) 11.215 15.749 ( 2.753 -0.482 -9.312) 9.722 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 5.177 1.897 10.840) 12.162 1.657 ( -1.062 -1.725 6.660) 6.961 1.822 ( 1.216 4.238 -0.942) 4.509 1.982 ( -3.463 4.315 -3.534) 6.565 2.077 ( -10.039 2.633 1.828) 10.538 2.175 ( -2.422 -1.062 -1.467) 3.024 2.273 ( 3.213 7.103 -1.953) 8.037 2.521 ( 0.567 1.209 -8.831) 8.931 2.773 ( -0.199 -4.629 6.303) 7.823 2.859 ( -4.014 -7.608 1.968) 8.825 2.942 ( 0.285 0.838 -1.764) 1.974 3.101 ( 2.511 5.971 0.747) 6.520 3.266 ( 4.088 5.883 14.227) 15.929 3.429 ( -1.158 -3.471 2.494) 4.428 3.525 ( -6.699 -4.231 4.671) 9.198 3.606 ( 5.469 -7.677 0.291) 9.430 3.746 ( 3.927 3.982 7.614) 9.447 3.873 ( -2.776 0.290 0.598) 2.855 4.026 ( -1.789 0.004 -11.080) 11.224 4.104 ( 0.047 5.580 -6.238) 8.370 4.251 ( 2.069 1.729 -2.892) 3.954 4.502 ( 2.353 6.043 -10.353) 12.217 4.974 ( -5.886 -0.475 2.389) 6.370 5.112 ( 3.220 -0.391 -4.078) 5.211 5.359 ( -0.180 -0.682 15.544) 15.560 5.646 ( -0.745 -7.196 5.686) 9.201 5.753 ( -1.023 -2.939 -0.260) 3.123 6.015 ( 1.521 -4.925 -12.514) 13.534 6.316 ( 0.016 -0.282 2.012) 2.032 6.363 ( -4.106 -0.578 -0.332) 4.160 6.508 ( 0.877 1.411 2.832) 3.283 6.548 ( -4.748 -3.348 0.885) 5.877 6.712 ( 1.735 -4.120 1.732) 4.794 6.741 ( 2.267 -3.462 -0.366) 4.155 7.001 ( 2.597 2.132 1.634) 3.737 7.070 ( 0.803 8.033 -1.311) 8.179 7.458 ( -0.557 -0.656 1.149) 1.435 7.593 ( -0.555 0.303 1.870) 1.974 7.697 ( 0.955 -2.637 -2.560) 3.797 7.867 ( 3.965 -2.474 0.008) 4.674 7.930 ( -1.281 -3.360 -3.465) 4.994 8.079 ( -0.095 5.252 -3.440) 6.279 8.153 ( -6.619 4.086 4.235) 8.856 8.323 ( 2.519 6.688 -3.881) 8.133 8.574 ( 1.280 1.913 4.546) 5.095 8.892 ( 1.680 3.023 -9.722) 10.318 9.222 ( 1.770 -3.170 5.799) 6.842 9.409 ( 0.932 -1.497 -3.284) 3.728 11.983 ( -0.687 -2.110 5.264) 5.713 12.011 ( -0.692 0.120 2.956) 3.039 12.062 ( 0.093 -0.159 -0.012) 0.184 12.286 ( 3.531 -6.130 -8.038) 10.707 12.692 ( 2.876 2.061 1.768) 3.956 12.820 ( -2.542 5.441 -5.079) 7.865 13.402 ( -0.010 -5.998 8.099) 10.078 13.831 ( -1.978 -8.723 -14.951) 17.423 14.307 ( 1.185 5.530 8.313) 10.054 14.463 ( -1.095 8.011 0.183) 8.088 15.373 ( -3.968 2.381 11.425) 12.327 15.774 ( 2.679 -0.231 -9.025) 9.417 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -8.352 -2.084 12.110) 14.858 1.653 ( -8.488 4.905 14.408) 17.427 1.749 ( -5.134 1.927 -6.803) 8.738 1.920 ( -0.540 7.307 -7.352) 10.380 2.051 ( 8.041 0.784 1.211) 8.169 2.225 ( 6.044 1.605 2.721) 6.820 2.422 ( 8.267 4.080 1.801) 9.393 2.534 ( 3.746 0.423 -5.859) 6.967 2.742 ( -5.620 -6.452 0.658) 8.582 2.819 ( 0.461 -2.430 7.312) 7.719 2.920 ( -4.474 2.651 -0.196) 5.204 3.083 ( -5.460 7.473 9.015) 12.920 3.281 ( -1.444 -1.008 6.055) 6.306 3.378 ( -4.693 -2.061 -1.955) 5.486 3.448 ( -0.856 -2.320 1.376) 2.829 3.688 ( 0.320 -4.267 2.578) 4.996 3.765 ( -2.304 -4.874 0.302) 5.400 3.942 ( 6.427 1.244 1.742) 6.774 3.960 ( -1.355 0.347 -8.213) 8.332 4.094 ( 1.795 4.351 -7.170) 8.577 4.286 ( 1.794 2.278 -0.618) 2.965 4.515 ( 2.758 8.630 -10.273) 13.697 4.910 ( -0.564 -0.314 4.413) 4.460 5.214 ( 6.778 -2.482 -1.197) 7.317 5.418 ( 0.673 -1.998 12.925) 13.096 5.623 ( -3.173 -4.250 5.315) 7.508 5.764 ( 0.938 -3.726 -0.429) 3.866 5.964 ( -1.896 -4.127 -11.777) 12.623 6.250 ( -3.891 -1.071 0.349) 4.051 6.317 ( -1.962 1.096 3.768) 4.388 6.468 ( -2.877 -4.077 -0.464) 5.011 6.553 ( 1.654 1.584 3.938) 4.556 6.688 ( -0.696 0.062 -1.026) 1.242 6.825 ( 1.963 -5.583 0.546) 5.943 6.995 ( 0.044 0.800 -0.157) 0.817 7.160 ( 4.302 3.615 -1.523) 5.822 7.345 ( -9.013 1.727 0.259) 9.180 7.514 ( -5.007 5.150 -0.202) 7.185 7.780 ( 0.993 1.968 3.469) 4.110 7.843 ( -3.285 -4.470 1.187) 5.672 7.963 ( 3.980 -1.776 -4.344) 6.154 8.043 ( 2.860 0.415 -1.276) 3.160 8.169 ( 3.652 2.880 -2.237) 5.161 8.372 ( 3.133 5.972 -2.300) 7.125 8.637 ( 3.199 0.327 4.663) 5.664 8.915 ( 3.278 2.150 -7.812) 8.741 9.243 ( -1.559 -2.792 2.380) 3.986 9.390 ( -1.313 -1.212 -4.205) 4.569 11.984 ( -0.871 -1.807 4.568) 4.989 12.008 ( -0.579 -0.457 3.125) 3.211 12.056 ( -0.671 -0.226 -0.013) 0.708 12.306 ( 1.545 -6.568 -10.721) 12.667 12.759 ( 0.816 5.262 -3.302) 6.265 12.843 ( 8.601 1.426 1.121) 8.790 13.404 ( -3.315 -8.053 9.084) 12.584 13.688 ( -6.179 -5.630 -12.613) 15.132 14.355 ( 0.081 5.928 6.884) 9.085 14.458 ( 1.053 8.452 -0.482) 8.531 15.329 ( -4.149 2.555 12.120) 13.063 15.787 ( 1.594 -0.451 -8.879) 9.032 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -6.185 -1.373 17.627) 18.731 1.494 ( -10.684 6.998 16.380) 20.771 1.682 ( 2.421 4.521 -8.564) 9.982 1.900 ( 0.758 8.703 -5.433) 10.288 2.230 ( 8.080 -0.878 -3.581) 8.881 2.350 ( 1.710 0.096 1.584) 2.333 2.547 ( 2.901 -0.985 1.603) 3.458 2.595 ( -1.457 8.094 6.853) 10.705 2.695 ( 1.820 -1.607 3.247) 4.055 2.765 ( -0.606 2.211 5.574) 6.026 2.897 ( 1.130 -2.758 10.713) 11.120 3.030 ( -2.299 -0.376 0.668) 2.424 3.203 ( -6.213 -2.848 -4.971) 8.452 3.331 ( -2.418 0.358 -5.342) 5.875 3.465 ( 5.180 -6.097 -0.585) 8.021 3.625 ( -6.880 -3.009 5.274) 9.176 3.668 ( -6.192 -4.348 -2.857) 8.088 3.904 ( -1.142 3.496 -5.409) 6.541 4.053 ( 3.885 0.202 -4.586) 6.013 4.161 ( 4.919 3.061 -0.585) 5.824 4.302 ( -0.068 1.190 -0.981) 1.544 4.545 ( 2.991 9.177 -8.482) 12.849 5.009 ( 8.411 -2.979 6.286) 10.915 5.344 ( 4.790 -4.289 1.343) 6.569 5.463 ( -1.098 -2.100 9.930) 10.208 5.561 ( -4.382 -2.266 4.288) 6.537 5.727 ( -4.096 -5.903 -0.402) 7.196 5.902 ( 1.000 -1.854 -11.672) 11.861 6.224 ( -0.370 -1.511 2.549) 2.986 6.316 ( 2.692 2.465 1.400) 3.909 6.408 ( -3.619 -4.428 -0.077) 5.720 6.555 ( -3.439 1.685 3.419) 5.134 6.695 ( 2.436 -0.791 -0.925) 2.723 6.852 ( 1.308 -4.754 -0.838) 5.001 7.018 ( 1.903 -0.763 -2.477) 3.216 7.147 ( -9.163 2.923 0.667) 9.641 7.195 ( -0.035 5.674 -0.022) 5.674 7.411 ( -4.455 8.864 -2.893) 10.334 7.658 ( -7.508 4.129 11.968) 14.719 7.916 ( 2.401 -1.374 -0.422) 2.799 8.039 ( 6.335 -2.515 -6.429) 9.370 8.121 ( 3.336 -1.579 -3.011) 4.764 8.245 ( 4.759 1.062 -2.130) 5.320 8.411 ( 0.432 3.968 -1.728) 4.350 8.741 ( 5.193 -2.587 5.176) 7.775 8.963 ( 2.391 -0.921 -1.131) 2.800 9.167 ( -5.160 -0.638 -2.969) 5.988 9.328 ( -3.256 -0.047 -4.852) 5.844 11.980 ( -1.108 -1.776 4.461) 4.927 12.009 ( -0.173 -0.482 1.950) 2.016 12.038 ( -0.980 -0.407 0.313) 1.106 12.277 ( -0.395 -5.366 -10.718) 11.993 12.789 ( 3.426 4.750 -2.203) 6.257 13.055 ( 8.291 -3.112 -2.021) 9.083 13.324 ( -4.451 -6.525 5.576) 9.669 13.531 ( -5.410 -1.706 -4.193) 7.054 14.358 ( -1.532 6.166 5.836) 8.627 14.497 ( 2.549 8.304 -1.905) 8.893 15.303 ( -2.311 2.702 12.575) 13.068 15.776 ( 0.475 -0.888 -9.015) 9.071 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.062 9.165 16.121) 18.544 1.604 ( -5.594 12.662 12.443) 18.613 1.910 ( 6.690 6.932 -6.830) 11.809 2.039 ( 0.148 3.887 -5.636) 6.848 2.217 ( -3.268 -4.781 -1.953) 6.111 2.294 ( 4.018 -3.091 -7.704) 9.223 2.649 ( 0.808 1.006 7.187) 7.302 2.720 ( 2.522 -1.360 1.089) 3.066 2.760 ( 3.343 -1.215 5.245) 6.338 2.849 ( -4.816 -5.138 1.223) 7.148 2.930 ( 1.459 7.370 5.718) 9.441 2.982 ( 4.193 3.658 7.592) 9.412 3.032 ( -2.234 -2.615 -5.894) 6.824 3.182 ( -8.778 0.997 -7.442) 11.552 3.333 ( 0.693 -8.272 1.789) 8.492 3.425 ( -2.302 -5.157 -3.576) 6.685 3.609 ( -1.786 4.263 2.968) 5.493 3.993 ( 1.419 2.652 -0.059) 3.008 4.094 ( 1.884 0.204 -5.919) 6.215 4.245 ( 1.196 -0.476 -5.296) 5.450 4.417 ( 0.352 8.189 8.744) 11.985 4.692 ( -1.289 4.089 -4.914) 6.521 5.077 ( 6.109 -6.953 5.434) 10.733 5.225 ( -1.217 -9.779 1.123) 9.918 5.378 ( -3.532 0.474 5.418) 6.485 5.455 ( -4.662 -0.419 2.648) 5.378 5.612 ( 2.318 -3.878 -0.945) 4.616 5.820 ( 1.673 -5.548 -9.742) 11.335 6.185 ( -1.053 -1.888 4.242) 4.761 6.234 ( -5.622 -2.532 3.424) 7.053 6.465 ( 2.881 0.300 -1.621) 3.319 6.534 ( 4.807 -0.980 -2.762) 5.630 6.741 ( 0.235 -0.646 0.824) 1.072 6.781 ( 1.171 0.454 -0.657) 1.417 6.963 ( -5.729 -2.801 1.281) 6.504 7.068 ( 6.764 -2.527 -3.986) 8.248 7.361 ( -1.482 8.890 6.371) 11.037 7.603 ( -3.727 13.522 -4.804) 14.826 7.688 ( -2.987 3.934 9.437) 10.652 7.952 ( -0.721 0.186 2.881) 2.976 8.088 ( 3.468 -0.521 -3.924) 5.263 8.139 ( 0.768 0.906 -8.149) 8.235 8.334 ( 3.101 0.080 -0.729) 3.186 8.388 ( -1.343 -1.205 -2.049) 2.730 8.777 ( 0.339 -2.628 5.615) 6.208 8.841 ( -2.255 -3.904 6.890) 8.234 9.154 ( 0.537 1.037 -6.285) 6.393 9.244 ( -1.441 -0.439 -7.320) 7.473 11.939 ( -0.549 -0.952 2.210) 2.468 12.002 ( 0.055 -1.407 0.527) 1.503 12.017 ( -0.159 0.315 0.452) 0.573 12.140 ( 0.341 -4.089 -6.851) 7.986 12.916 ( -4.462 2.605 1.970) 5.530 12.984 ( 0.774 1.373 -1.642) 2.276 13.332 ( 8.405 -5.862 -1.111) 10.308 13.366 ( -1.280 -4.792 -3.454) 6.044 14.510 ( -3.843 9.669 8.841) 13.654 14.692 ( 0.380 6.339 0.259) 6.355 15.399 ( 0.895 3.940 6.207) 7.406 15.703 ( 0.376 -3.430 -7.762) 8.495 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.707 13.642 9.518) 16.853 1.585 ( 2.172 8.490 15.332) 17.660 1.968 ( -3.283 2.899 -3.244) 5.450 2.018 ( 4.902 5.351 -9.936) 12.304 2.205 ( 2.103 -2.837 -2.432) 4.288 2.325 ( -0.645 -5.824 -4.584) 7.440 2.650 ( -3.397 -1.757 4.837) 6.166 2.727 ( -4.931 0.259 -0.971) 5.032 2.751 ( 1.500 -1.704 1.856) 2.932 2.771 ( -3.855 0.146 1.139) 4.023 2.922 ( -7.409 1.161 -3.229) 8.165 3.007 ( 2.655 5.445 6.166) 8.644 3.069 ( 5.780 -1.370 -1.324) 6.085 3.208 ( 10.498 -0.857 2.113) 10.743 3.310 ( -1.187 -0.022 -0.050) 1.189 3.459 ( 2.496 -10.898 3.587) 11.742 3.593 ( -0.164 5.818 5.068) 7.717 4.015 ( 0.766 -0.369 -2.645) 2.778 4.110 ( 1.950 0.722 -8.108) 8.370 4.230 ( -0.707 1.099 -4.239) 4.436 4.426 ( -2.867 8.188 8.343) 12.036 4.642 ( -1.309 5.422 -4.567) 7.209 5.147 ( -3.749 -5.981 -1.344) 7.186 5.204 ( 1.588 -6.275 2.317) 6.875 5.314 ( -4.960 -1.284 7.514) 9.095 5.410 ( -0.547 -3.164 4.864) 5.828 5.648 ( 1.889 -5.414 -1.836) 6.021 5.829 ( 2.041 -5.933 -7.364) 9.675 6.178 ( 0.337 -2.163 1.648) 2.741 6.209 ( 2.270 -2.864 3.286) 4.915 6.475 ( 0.095 0.482 -3.144) 3.182 6.622 ( 0.074 -4.740 -0.662) 4.786 6.720 ( 0.450 1.553 -0.826) 1.816 6.815 ( -0.316 3.399 0.283) 3.426 6.890 ( -0.356 -0.317 1.735) 1.800 7.222 ( 9.050 -3.560 -4.502) 10.717 7.374 ( 0.577 6.185 7.793) 9.966 7.477 ( -6.869 10.815 2.094) 12.982 7.695 ( 0.378 3.252 0.482) 3.310 7.917 ( -3.388 -3.272 3.032) 5.601 8.002 ( -5.889 2.150 -2.516) 6.755 8.191 ( 3.700 0.959 -6.273) 7.346 8.353 ( -0.118 0.526 -4.100) 4.135 8.412 ( 2.196 0.062 -1.242) 2.524 8.685 ( -5.795 2.799 7.124) 9.600 8.936 ( 4.572 -4.387 6.769) 9.272 9.086 ( -3.454 2.046 -7.423) 8.439 9.263 ( 3.927 -1.960 -4.579) 6.343 11.936 ( -0.565 -1.069 2.523) 2.798 12.010 ( 0.653 -1.264 0.742) 1.604 12.024 ( 0.500 0.090 0.160) 0.533 12.126 ( 0.645 -3.549 -5.758) 6.795 12.807 ( -5.063 3.401 1.976) 6.412 13.002 ( -0.053 0.900 -0.474) 1.019 13.321 ( -0.881 -1.883 -3.261) 3.867 13.513 ( 8.443 -9.574 -5.482) 13.892 14.455 ( -4.156 9.238 9.341) 13.779 14.680 ( -1.772 5.766 2.159) 6.407 15.445 ( 1.084 3.653 5.231) 6.471 15.698 ( 1.959 -2.662 -7.870) 8.536 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 2.149 11.213 8.601) 14.294 1.696 ( 1.244 5.350 9.420) 10.905 1.891 ( -1.523 3.362 -1.921) 4.161 2.081 ( 3.272 2.609 -5.905) 7.238 2.205 ( -4.931 -3.886 -1.055) 6.366 2.246 ( -1.207 -1.232 -4.562) 4.877 2.510 ( -8.864 4.068 0.735) 9.780 2.606 ( -4.025 0.048 -2.438) 4.705 2.705 ( -2.400 -0.382 -1.781) 3.013 2.791 ( -4.638 -2.656 4.213) 6.806 2.866 ( 5.116 -4.568 0.909) 6.919 3.091 ( 4.972 5.502 0.528) 7.434 3.252 ( 8.707 -3.340 2.248) 9.593 3.302 ( 2.054 4.231 -1.380) 4.902 3.385 ( 4.481 -0.824 0.636) 4.600 3.497 ( -0.524 -7.602 7.853) 10.942 3.679 ( 5.814 4.537 9.134) 11.739 3.984 ( -2.806 -0.297 -5.296) 6.001 4.094 ( -1.393 -1.010 -8.952) 9.116 4.196 ( -0.714 0.397 -4.395) 4.470 4.373 ( -4.129 9.091 8.773) 13.291 4.628 ( 1.989 8.079 -5.621) 10.041 5.050 ( -4.305 -2.654 -0.915) 5.140 5.162 ( -4.239 -1.191 -2.485) 5.056 5.288 ( -1.911 -3.243 13.229) 13.754 5.436 ( 0.935 -7.627 6.176) 9.858 5.672 ( 0.918 -5.500 -2.974) 6.320 5.851 ( 2.797 -7.005 -8.327) 11.235 6.237 ( 4.076 -1.954 -0.961) 4.621 6.316 ( 6.443 -4.166 2.550) 8.085 6.451 ( -1.170 0.245 -1.702) 2.080 6.560 ( -4.703 -4.383 0.602) 6.457 6.704 ( -1.526 3.033 -0.320) 3.411 6.784 ( -2.982 3.011 1.630) 4.541 6.943 ( 3.479 0.933 3.372) 4.934 7.314 ( -6.389 0.331 1.415) 6.553 7.401 ( 5.302 2.047 0.659) 5.722 7.456 ( 5.033 3.648 2.995) 6.900 7.671 ( -2.065 -0.749 -4.186) 4.727 7.861 ( -2.382 -2.297 5.374) 6.311 7.918 ( -1.247 1.742 -5.444) 5.851 8.165 ( -3.074 -0.493 -4.419) 5.405 8.362 ( 2.053 4.618 -3.335) 6.055 8.433 ( 0.097 3.870 -1.660) 4.212 8.629 ( -2.624 5.045 7.912) 9.744 8.986 ( -1.360 0.674 -4.569) 4.815 9.065 ( 3.779 -1.791 2.366) 4.805 9.325 ( 3.185 -3.374 -4.065) 6.168 11.935 ( -0.426 -1.322 2.727) 3.061 12.026 ( 0.073 0.787 0.889) 1.189 12.037 ( 0.948 -1.599 0.485) 1.921 12.128 ( 1.497 -4.631 -5.868) 7.623 12.745 ( -1.446 4.615 2.154) 5.294 12.974 ( -1.881 1.501 -2.162) 3.235 13.296 ( -1.176 -2.482 0.428) 2.780 13.618 ( 3.986 -11.672 -10.117) 15.952 14.429 ( -1.437 8.970 10.376) 13.791 14.647 ( -2.162 5.651 3.605) 7.043 15.466 ( -0.959 3.926 5.377) 6.727 15.722 ( 2.904 -2.191 -8.178) 8.951 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -2.491 5.662 7.873) 10.013 1.686 ( 3.011 5.355 7.636) 9.801 1.889 ( -0.356 2.273 -2.444) 3.357 2.047 ( -3.869 -1.016 -6.646) 7.757 2.104 ( -4.316 1.514 0.184) 4.578 2.236 ( 1.892 4.211 -0.764) 4.679 2.407 ( 0.759 4.804 1.864) 5.209 2.573 ( -0.404 2.204 -1.266) 2.573 2.664 ( -0.850 -4.574 -2.033) 5.077 2.716 ( -3.775 -2.914 7.005) 8.474 2.913 ( 0.048 -3.656 -0.395) 3.678 3.196 ( 3.866 2.019 -5.637) 7.127 3.327 ( 0.319 -1.096 3.951) 4.113 3.408 ( 1.528 1.329 -3.657) 4.181 3.442 ( 5.095 -7.015 2.572) 9.044 3.518 ( -0.809 4.552 7.797) 9.065 3.808 ( -1.608 2.031 8.433) 8.822 3.897 ( 0.521 1.137 -1.606) 2.036 4.004 ( -2.557 -1.020 -7.277) 7.780 4.163 ( -0.907 -0.473 -6.897) 6.972 4.353 ( -0.543 8.187 6.796) 10.654 4.671 ( 3.693 8.874 -7.072) 11.933 4.964 ( -4.547 -0.627 2.390) 5.175 5.096 ( -0.171 -1.740 -2.233) 2.836 5.305 ( -0.538 -3.710 12.652) 13.196 5.486 ( 1.272 -7.100 6.771) 9.893 5.673 ( 0.788 -3.751 -3.775) 5.379 5.863 ( 1.091 -8.894 -10.706) 13.961 6.304 ( 0.992 -0.471 1.597) 1.938 6.357 ( -2.659 0.084 -0.552) 2.717 6.459 ( -4.647 -3.918 1.035) 6.166 6.499 ( 5.106 -3.629 0.378) 6.276 6.685 ( -0.835 3.117 1.886) 3.737 6.734 ( -0.624 1.488 0.431) 1.670 7.029 ( 2.296 -0.022 5.149) 5.638 7.167 ( -6.315 -0.238 1.682) 6.539 7.465 ( -0.931 1.545 1.570) 2.391 7.595 ( 7.103 2.040 1.233) 7.492 7.629 ( 0.375 -3.716 -5.320) 6.500 7.852 ( 0.046 -0.669 4.844) 4.890 7.892 ( 1.131 1.433 -9.237) 9.416 8.135 ( 2.681 -0.113 -6.711) 7.227 8.297 ( -8.313 8.201 5.992) 13.125 8.453 ( 2.276 4.715 -3.679) 6.398 8.628 ( -0.176 3.454 5.753) 6.712 8.956 ( 0.196 1.637 -5.593) 5.831 9.146 ( 2.815 -2.758 2.301) 4.563 9.358 ( 1.476 -3.380 -5.129) 6.318 11.937 ( -0.318 -1.502 2.654) 3.066 12.022 ( -0.755 0.589 1.403) 1.698 12.054 ( 0.265 -0.692 0.388) 0.837 12.144 ( 2.193 -6.369 -7.004) 9.717 12.767 ( 2.675 4.588 3.145) 6.172 12.923 ( -1.502 3.853 -4.821) 6.351 13.274 ( -1.983 -5.109 5.022) 7.433 13.606 ( -0.928 -11.541 -11.756) 16.500 14.466 ( 1.016 8.533 10.335) 13.441 14.625 ( -1.031 6.312 3.182) 7.143 15.446 ( -2.772 4.412 6.129) 8.044 15.749 ( 2.283 -2.453 -8.251) 8.905 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -7.089 5.453 10.393) 13.712 1.773 ( -4.430 6.653 9.901) 12.724 1.843 ( -1.610 6.327 -3.254) 7.295 2.008 ( 2.418 -0.434 -7.583) 7.971 2.059 ( 4.417 0.010 -1.803) 4.770 2.315 ( 4.205 4.687 3.574) 7.241 2.510 ( 5.815 -0.063 0.993) 5.900 2.554 ( -1.121 4.286 1.763) 4.768 2.592 ( -2.775 -4.150 0.262) 4.999 2.753 ( 2.941 -2.619 4.507) 5.985 2.903 ( -0.539 -4.341 0.383) 4.391 3.210 ( -0.482 -0.311 -2.880) 2.936 3.263 ( -4.765 -3.223 -2.489) 6.268 3.358 ( -10.215 4.861 2.901) 11.678 3.453 ( 0.224 1.001 -4.689) 4.799 3.577 ( 1.830 -0.762 8.300) 8.534 3.716 ( -5.101 -1.167 -1.831) 5.544 3.943 ( 1.094 -0.213 -0.242) 1.141 4.014 ( 3.614 2.384 -0.080) 4.330 4.139 ( 1.877 -0.176 -5.147) 5.481 4.373 ( -0.033 6.378 4.208) 7.641 4.707 ( 2.152 7.915 -7.129) 10.867 4.906 ( -1.333 0.066 4.020) 4.235 5.133 ( 2.808 -5.140 2.888) 6.530 5.365 ( 2.411 -1.953 8.692) 9.229 5.522 ( -0.122 -4.709 5.737) 7.423 5.664 ( -1.530 -5.066 -3.534) 6.363 5.827 ( 0.512 -8.023 -11.544) 14.067 6.244 ( -3.640 0.470 -0.307) 3.683 6.344 ( -0.708 1.506 3.462) 3.841 6.389 ( -2.291 -3.156 -1.374) 4.135 6.568 ( 1.425 -1.469 1.525) 2.552 6.675 ( -0.867 -0.478 1.961) 2.196 6.764 ( 1.655 0.143 1.143) 2.016 6.999 ( -3.340 -0.409 1.001) 3.510 7.137 ( -0.834 -5.534 3.882) 6.811 7.421 ( -2.279 6.073 -0.356) 6.496 7.610 ( -0.847 -0.047 2.038) 2.207 7.759 ( 7.838 1.945 -0.472) 8.090 7.875 ( 1.173 3.835 -8.945) 9.803 7.928 ( 4.421 -0.839 -2.191) 5.005 8.134 ( -7.160 7.475 4.393) 11.245 8.199 ( 3.981 -0.217 -2.485) 4.698 8.474 ( 0.941 2.644 -2.959) 4.078 8.652 ( 0.441 1.435 5.392) 5.598 8.935 ( -1.477 -1.653 -0.448) 2.261 9.188 ( 1.271 -1.127 -3.681) 4.054 9.351 ( -0.142 -2.441 -5.426) 5.952 11.940 ( -0.288 -1.460 2.335) 2.769 12.010 ( -0.786 0.190 1.299) 1.530 12.049 ( -0.804 -0.396 0.453) 1.004 12.159 ( 1.719 -6.617 -8.028) 10.544 12.869 ( 4.990 3.755 2.597) 6.764 12.895 ( 1.612 4.356 -4.720) 6.622 13.244 ( -3.273 -6.268 7.266) 10.139 13.520 ( -2.994 -9.378 -10.029) 14.053 14.520 ( 0.301 8.513 9.181) 12.524 14.631 ( 0.876 6.981 1.681) 7.234 15.406 ( -3.114 4.667 6.828) 8.838 15.752 ( 0.892 -3.136 -8.107) 8.738 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -3.939 7.373 15.283) 17.420 1.680 ( -6.201 9.829 10.878) 15.919 1.826 ( 2.606 8.171 -5.783) 10.344 2.028 ( 2.119 1.419 -5.481) 6.045 2.203 ( 6.507 -1.527 -3.900) 7.738 2.334 ( -4.251 -2.897 -1.582) 5.382 2.553 ( 4.073 3.410 5.391) 7.569 2.626 ( 5.965 -1.308 0.463) 6.124 2.659 ( 4.067 0.463 4.723) 6.250 2.822 ( 2.599 -2.288 5.212) 6.257 2.893 ( -0.686 -4.467 -0.629) 4.563 3.088 ( -11.267 9.235 9.402) 17.339 3.144 ( -5.173 -0.660 -5.108) 7.300 3.256 ( 1.050 -7.394 -2.655) 7.926 3.383 ( -4.093 -0.940 -7.658) 8.734 3.564 ( -7.387 -2.293 -3.160) 8.356 3.621 ( -0.929 1.597 5.399) 5.707 3.967 ( 1.308 2.372 -0.999) 2.887 4.069 ( 2.260 0.314 -3.009) 3.776 4.203 ( 4.337 -0.222 -3.438) 5.539 4.383 ( -0.253 7.024 6.250) 9.405 4.716 ( 0.839 5.430 -5.793) 7.984 4.949 ( 3.624 -2.237 5.629) 7.059 5.201 ( 1.918 -8.402 4.922) 9.925 5.426 ( -0.695 -0.755 4.331) 4.450 5.517 ( -1.945 -1.895 4.397) 5.167 5.595 ( -1.902 -5.247 -2.546) 6.134 5.821 ( 2.113 -5.766 -11.435) 12.980 6.201 ( -1.341 -0.515 2.085) 2.531 6.331 ( -3.383 -3.121 0.167) 4.605 6.369 ( 3.109 2.366 0.749) 3.978 6.551 ( -3.612 -2.477 2.247) 4.923 6.683 ( 2.422 0.231 0.226) 2.443 6.789 ( 0.233 -0.699 0.886) 1.152 6.985 ( 2.163 -2.303 -2.633) 4.113 7.078 ( -5.367 -5.378 2.567) 8.020 7.382 ( -1.946 8.694 2.613) 9.285 7.620 ( 0.969 5.907 0.042) 5.986 7.794 ( -6.796 10.320 2.875) 12.687 7.907 ( 4.613 1.268 1.076) 4.903 8.000 ( 4.517 -1.121 -3.982) 6.125 8.110 ( 3.725 0.880 -6.028) 7.141 8.266 ( 3.156 0.414 -0.543) 3.229 8.459 ( -2.259 -0.006 -2.341) 3.253 8.693 ( 2.366 -1.557 5.229) 5.947 8.898 ( -2.920 -4.909 5.739) 8.097 9.172 ( -0.108 1.218 -8.682) 8.768 9.313 ( -1.796 -1.464 -5.666) 6.121 11.941 ( -0.369 -1.163 2.069) 2.402 12.001 ( -0.312 -0.479 0.752) 0.945 12.030 ( -1.105 -0.265 0.684) 1.327 12.156 ( 0.792 -5.517 -7.984) 9.737 12.905 ( 2.575 5.817 -3.754) 7.387 13.003 ( 2.785 -1.283 1.716) 3.514 13.207 ( -0.083 -4.448 5.090) 6.760 13.430 ( -2.735 -6.898 -6.130) 9.625 14.537 ( -1.678 9.397 8.481) 12.769 14.666 ( 1.756 6.810 0.386) 7.043 15.380 ( -1.504 4.467 7.001) 8.440 15.730 ( -0.085 -3.633 -7.903) 8.699 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.184 12.418 10.085) 16.041 1.846 ( -2.636 7.304 5.802) 9.694 1.976 ( 1.148 -7.077 3.656) 8.048 1.997 ( 1.601 -0.765 1.604) 2.392 2.183 ( -1.346 2.106 -5.561) 6.097 2.238 ( 1.325 -2.571 -7.912) 8.424 2.677 ( -0.841 0.116 -1.151) 1.430 2.689 ( 0.071 -0.812 2.034) 2.191 2.757 ( 2.618 1.088 5.043) 5.785 2.787 ( 0.586 -0.636 1.347) 1.601 2.891 ( 7.267 -0.396 0.257) 7.282 2.969 ( -1.921 -4.291 -6.358) 7.907 3.077 ( -2.032 1.037 1.389) 2.671 3.150 ( 1.503 -6.354 1.138) 6.628 3.320 ( -5.294 6.306 -6.706) 10.619 3.383 ( -4.390 -0.781 -6.123) 7.574 3.749 ( -2.066 9.612 10.216) 14.178 3.946 ( -2.110 -7.005 7.917) 10.779 4.144 ( 3.776 3.767 -7.163) 8.931 4.214 ( 2.941 -2.504 -5.626) 6.825 4.596 ( -0.616 8.380 9.507) 12.688 4.721 ( -0.995 -1.891 4.867) 5.315 4.966 ( 1.722 -2.804 2.320) 4.026 5.015 ( -0.958 -7.760 2.357) 8.167 5.441 ( -1.974 3.155 -1.031) 3.861 5.456 ( -3.283 0.360 0.509) 3.342 5.566 ( 1.852 1.166 -2.472) 3.302 5.679 ( 1.748 -7.296 -8.143) 11.072 6.161 ( -2.738 -0.136 4.445) 5.222 6.183 ( -4.693 -2.048 4.081) 6.548 6.467 ( 2.514 0.357 -2.388) 3.486 6.491 ( 3.621 -2.008 -2.642) 4.911 6.771 ( -1.078 3.027 1.063) 3.385 6.823 ( 3.181 0.962 -1.475) 3.636 6.897 ( -1.800 -0.784 0.766) 2.108 6.978 ( 5.532 -5.326 -3.270) 8.347 7.555 ( -1.288 8.631 8.141) 11.935 7.691 ( 0.194 -3.338 6.414) 7.234 7.850 ( -8.871 7.886 0.067) 11.869 7.940 ( -5.220 -1.525 2.286) 5.899 8.106 ( 5.170 2.184 -5.344) 7.749 8.150 ( 2.138 -0.855 -7.963) 8.290 8.339 ( 2.331 0.594 -0.518) 2.461 8.359 ( -0.193 -1.234 -0.909) 1.545 8.741 ( 2.217 -0.559 5.487) 5.944 8.765 ( -0.615 -2.730 6.329) 6.921 9.179 ( -0.360 1.452 -7.554) 7.701 9.216 ( -1.022 -1.877 -7.916) 8.200 11.940 ( -0.369 0.907 -0.043) 0.980 11.969 ( -0.430 -1.606 -0.268) 1.684 12.030 ( 0.493 1.027 -0.911) 1.458 12.067 ( 0.873 -2.631 -3.813) 4.714 12.977 ( -3.749 3.177 1.753) 5.217 13.018 ( -0.311 0.376 -1.185) 1.282 13.232 ( 5.600 -2.120 -1.056) 6.081 13.265 ( 1.595 -4.169 -3.928) 5.946 14.696 ( -3.305 6.803 8.546) 11.412 14.768 ( -1.508 0.273 5.620) 5.825 15.494 ( 1.278 5.076 -0.419) 5.251 15.607 ( 0.879 -5.311 -5.068) 7.393 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.526 10.396 7.176) 12.643 1.803 ( -1.600 9.772 6.521) 11.856 1.978 ( -2.066 -3.239 1.728) 4.213 2.019 ( 0.087 -5.146 -0.007) 5.147 2.162 ( 1.246 0.541 -3.560) 3.811 2.220 ( -1.210 -4.088 -4.718) 6.359 2.649 ( -1.890 1.214 -0.377) 2.278 2.695 ( -0.324 -2.909 -0.701) 3.010 2.734 ( -3.835 1.913 -2.187) 4.812 2.790 ( -0.222 -1.466 -2.367) 2.793 2.897 ( -2.432 4.510 -1.924) 5.473 3.053 ( 6.099 -5.531 -0.478) 8.247 3.103 ( 3.062 3.401 6.267) 7.760 3.213 ( 1.101 -6.005 4.465) 7.564 3.280 ( 5.177 2.132 -3.954) 6.854 3.330 ( 2.112 -0.154 -5.243) 5.654 3.754 ( -0.401 9.286 8.722) 12.746 3.933 ( -1.075 -6.650 4.242) 7.961 4.171 ( 0.811 3.532 -6.966) 7.853 4.228 ( -0.066 -1.512 -4.689) 4.928 4.595 ( -2.492 8.675 9.705) 13.254 4.728 ( 0.140 -0.050 4.950) 4.953 4.987 ( -0.875 -5.358 1.164) 5.552 5.034 ( 1.762 -7.295 2.526) 7.919 5.341 ( -5.409 3.142 0.301) 6.263 5.399 ( -2.978 -1.170 -1.405) 3.495 5.594 ( 1.698 1.557 -2.297) 3.253 5.694 ( 1.819 -6.461 -5.370) 8.597 6.144 ( 0.413 -0.653 3.107) 3.201 6.157 ( 1.322 -1.802 3.240) 3.936 6.491 ( 0.313 1.221 -2.202) 2.537 6.535 ( -0.026 -3.094 -0.899) 3.222 6.753 ( -0.079 2.282 -0.391) 2.316 6.814 ( -1.039 -2.931 0.098) 3.111 6.962 ( 4.690 6.148 -1.207) 7.826 7.100 ( 6.456 -6.657 -3.218) 9.816 7.542 ( -2.674 8.121 9.310) 12.641 7.639 ( -7.644 1.737 6.272) 10.039 7.733 ( -1.712 2.302 -2.962) 4.123 7.825 ( -5.377 -5.034 2.283) 7.712 8.088 ( -3.704 5.045 -2.724) 6.826 8.176 ( -0.185 -2.668 -3.186) 4.160 8.371 ( 3.085 1.349 -3.856) 5.119 8.400 ( 4.190 -1.110 -2.597) 5.053 8.759 ( -0.356 3.909 5.553) 6.800 8.845 ( 3.155 -4.209 6.252) 8.170 9.136 ( -0.699 2.750 -7.521) 8.038 9.203 ( 1.983 -3.385 -6.446) 7.547 11.933 ( -0.261 0.796 0.163) 0.853 11.966 ( 0.366 -2.195 -0.538) 2.290 12.039 ( 0.613 1.062 -1.026) 1.599 12.069 ( 0.544 -1.923 -3.106) 3.693 12.903 ( -3.485 5.126 1.652) 6.414 12.990 ( -1.854 -2.378 0.298) 3.030 13.291 ( 1.706 -0.275 -4.279) 4.615 13.342 ( 5.267 -5.597 -4.392) 8.851 14.644 ( -4.241 7.518 9.369) 12.739 14.737 ( -3.276 -0.846 6.981) 7.758 15.530 ( 2.114 4.391 -1.015) 4.978 15.624 ( 2.337 -4.206 -5.305) 7.162 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.567 10.983 3.890) 11.665 1.842 ( -0.245 7.721 4.770) 9.080 1.920 ( -2.112 -1.645 -1.720) 3.182 2.021 ( 0.586 -7.089 -3.790) 8.060 2.152 ( -2.506 -0.531 3.431) 4.282 2.198 ( -0.020 -3.799 0.597) 3.846 2.543 ( -5.503 2.144 -2.515) 6.419 2.605 ( -5.679 -1.021 0.298) 5.778 2.729 ( -1.148 -2.380 -0.679) 2.728 2.739 ( -0.461 -1.343 -2.985) 3.306 2.899 ( 0.894 10.685 0.927) 10.762 3.122 ( 2.458 -5.825 -5.768) 8.558 3.223 ( 4.914 0.505 6.373) 8.064 3.263 ( 2.531 -4.437 6.071) 7.934 3.398 ( 5.520 1.491 -3.754) 6.840 3.427 ( 8.042 -0.028 -2.406) 8.394 3.802 ( 2.131 6.557 6.793) 9.679 3.926 ( -0.842 -4.846 -0.907) 5.002 4.119 ( -3.478 2.914 -5.143) 6.858 4.179 ( -2.820 -2.061 -3.272) 4.786 4.581 ( -2.262 10.840 10.598) 15.328 4.756 ( 0.812 -0.494 4.027) 4.138 4.964 ( -1.569 -2.115 1.547) 3.054 5.057 ( -0.735 -7.189 1.531) 7.387 5.263 ( -2.086 2.632 3.109) 4.576 5.345 ( -1.117 -3.306 0.041) 3.490 5.616 ( 1.430 0.974 -4.617) 4.931 5.704 ( 0.953 -6.372 -6.597) 9.222 6.214 ( 4.895 0.113 1.197) 5.040 6.244 ( 5.729 -2.587 2.393) 6.726 6.459 ( -2.537 0.641 -0.799) 2.736 6.488 ( -3.812 -2.293 0.431) 4.469 6.752 ( -0.057 2.806 0.489) 2.849 6.814 ( -0.228 -1.968 1.012) 2.225 7.015 ( 0.303 6.428 1.555) 6.620 7.174 ( -0.066 -8.101 -0.461) 8.114 7.518 ( -3.097 4.813 5.185) 7.723 7.546 ( 0.418 2.265 1.082) 2.545 7.674 ( -2.508 2.084 -2.775) 4.281 7.768 ( -1.583 -5.501 4.403) 7.222 8.013 ( -1.658 5.532 -4.465) 7.300 8.117 ( -2.368 -3.858 -4.235) 6.199 8.441 ( 3.371 2.678 -2.507) 4.982 8.471 ( 2.884 -0.051 -2.329) 3.707 8.763 ( -1.720 6.957 6.927) 9.967 8.904 ( 0.143 -6.053 5.977) 8.508 9.123 ( 2.386 4.877 -7.637) 9.370 9.233 ( 2.887 -5.126 -6.280) 8.605 11.931 ( 0.093 1.052 -0.193) 1.073 11.978 ( 1.068 -3.181 -1.578) 3.708 12.045 ( 0.170 0.926 -0.215) 0.966 12.068 ( 0.205 -1.438 -2.028) 2.495 12.859 ( -1.219 5.706 2.123) 6.209 12.959 ( -1.140 -3.026 0.662) 3.301 13.287 ( -0.812 2.126 -4.015) 4.615 13.398 ( 1.939 -8.310 -7.065) 11.079 14.611 ( -2.088 7.232 10.279) 12.740 14.701 ( -2.434 -0.894 7.913) 8.327 15.559 ( 0.810 4.682 -1.073) 4.871 15.655 ( 2.257 -4.085 -5.631) 7.313 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -4.251 8.118 2.683) 9.548 1.860 ( 5.171 8.473 2.281) 10.185 1.906 ( 0.832 -1.445 -1.559) 2.283 1.992 ( -2.526 -3.181 -4.157) 5.812 2.108 ( -4.442 -0.335 2.982) 5.361 2.193 ( 1.150 -6.976 0.734) 7.109 2.489 ( 0.338 2.470 4.212) 4.895 2.532 ( -1.953 -1.521 5.773) 6.281 2.680 ( -1.984 2.155 -0.711) 3.014 2.734 ( -0.130 -0.867 -2.057) 2.236 2.900 ( -0.928 7.490 0.399) 7.557 3.124 ( 0.378 -9.513 -8.181) 12.553 3.297 ( -1.438 -0.434 2.055) 2.546 3.317 ( 1.491 -2.660 5.250) 6.072 3.512 ( 7.004 6.187 -6.879) 11.605 3.594 ( 7.596 0.032 -1.180) 7.687 3.841 ( -4.224 1.207 3.455) 5.589 3.877 ( -0.746 -2.145 0.596) 2.348 4.034 ( -1.728 3.558 -1.880) 4.379 4.116 ( -1.707 -3.477 -3.385) 5.144 4.571 ( -2.511 11.659 10.282) 15.747 4.777 ( -0.850 -3.731 4.046) 5.569 4.942 ( -0.914 1.626 2.103) 2.811 5.029 ( -1.323 -4.105 0.603) 4.355 5.284 ( 2.559 2.702 4.385) 5.752 5.370 ( 2.458 -4.193 3.340) 5.897 5.617 ( 0.795 -0.800 -7.094) 7.184 5.681 ( -0.235 -6.927 -9.505) 11.764 6.312 ( 2.051 1.389 2.126) 3.265 6.355 ( 1.943 -1.566 0.669) 2.583 6.394 ( -3.644 -0.576 0.624) 3.742 6.426 ( 1.156 -2.722 -0.269) 2.970 6.756 ( -0.655 2.960 2.079) 3.676 6.784 ( -2.401 1.375 1.527) 3.160 7.018 ( -0.454 0.661 4.820) 4.886 7.091 ( -6.591 -5.079 2.718) 8.753 7.518 ( 0.989 2.476 0.266) 2.680 7.566 ( -0.121 -2.253 -2.316) 3.233 7.679 ( 4.778 5.300 0.643) 7.165 7.788 ( 2.815 -4.433 2.228) 5.705 7.990 ( 1.273 5.662 -7.063) 9.142 8.093 ( 2.069 -3.655 -6.476) 7.719 8.441 ( -3.705 4.804 1.833) 6.338 8.497 ( 0.179 -0.519 -1.864) 1.943 8.740 ( -2.561 7.021 6.774) 10.087 8.894 ( -2.851 -6.606 5.483) 9.046 9.169 ( 4.134 4.176 -7.409) 9.456 9.270 ( 2.821 -4.747 -7.120) 9.010 11.935 ( 0.398 1.413 -0.747) 1.647 11.994 ( 1.041 -3.706 -2.659) 4.678 12.045 ( -0.222 0.574 0.569) 0.838 12.063 ( -0.133 -1.330 -1.270) 1.844 12.871 ( 1.411 4.906 2.820) 5.832 12.952 ( 0.345 -1.819 0.042) 1.852 13.238 ( -2.395 2.826 -2.221) 4.319 13.377 ( -0.927 -9.391 -7.746) 12.209 14.630 ( 0.170 6.147 10.092) 11.818 14.698 ( -0.650 0.135 7.468) 7.498 15.554 ( -0.920 5.561 -0.706) 5.681 15.669 ( 0.975 -4.917 -5.666) 7.565 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -3.839 10.511 4.754) 12.158 1.896 ( -1.953 -6.001 -1.036) 6.395 1.920 ( 0.296 4.292 -1.964) 4.730 2.006 ( -4.616 1.080 0.880) 4.822 2.042 ( 8.551 4.831 1.461) 9.929 2.247 ( 2.043 -9.283 1.738) 9.663 2.543 ( 1.083 1.489 5.480) 5.781 2.555 ( 2.756 1.138 6.151) 6.836 2.659 ( 0.098 2.642 2.199) 3.439 2.729 ( 0.373 -2.515 -0.470) 2.586 2.871 ( -1.699 6.621 -0.542) 6.857 3.087 ( -1.014 -10.242 -7.995) 13.032 3.232 ( -4.321 1.639 -1.404) 4.830 3.313 ( -2.897 -5.230 -0.869) 6.042 3.552 ( -1.297 6.889 -9.198) 11.565 3.667 ( -2.070 -3.387 -7.913) 8.853 3.740 ( -2.409 9.754 10.236) 14.343 3.904 ( 1.648 -4.706 6.329) 8.057 4.049 ( 1.906 1.732 -1.984) 3.251 4.100 ( 2.087 -2.791 -2.875) 4.518 4.555 ( -1.970 10.123 8.767) 13.536 4.746 ( -2.777 -5.743 4.679) 7.911 4.942 ( -0.218 3.786 1.830) 4.211 5.026 ( 0.107 -4.195 2.850) 5.073 5.373 ( 3.968 2.633 3.302) 5.795 5.439 ( 2.309 -3.201 3.964) 5.594 5.588 ( -1.071 -0.877 -7.748) 7.871 5.660 ( 2.404 -6.927 -11.169) 13.360 6.268 ( -3.361 1.820 -0.116) 3.824 6.319 ( -2.778 -2.780 -0.354) 3.946 6.399 ( 0.790 3.132 1.822) 3.709 6.484 ( 1.328 -4.762 1.664) 5.216 6.717 ( -1.719 3.412 1.225) 4.012 6.772 ( -0.377 -0.812 1.976) 2.169 6.981 ( -4.136 -0.390 2.592) 4.896 7.021 ( -1.878 -4.080 4.850) 6.610 7.527 ( -0.022 3.140 0.640) 3.205 7.572 ( 1.784 -1.835 1.510) 2.971 7.824 ( 7.818 3.581 -0.133) 8.600 7.892 ( 6.030 -2.281 -0.865) 6.505 8.013 ( 3.940 7.112 -10.151) 13.006 8.142 ( 4.136 -4.575 -6.188) 8.737 8.321 ( -7.911 8.491 4.663) 12.507 8.459 ( -3.179 -3.988 -0.654) 5.142 8.715 ( -2.057 4.599 5.810) 7.690 8.837 ( -4.211 -6.340 5.830) 9.587 9.216 ( 2.656 3.051 -8.340) 9.269 9.288 ( 1.296 -3.410 -7.253) 8.119 11.941 ( 0.507 1.661 -1.151) 2.084 11.997 ( -0.033 -2.399 -1.895) 3.057 12.040 ( -0.504 -0.141 0.506) 0.728 12.056 ( 0.308 -2.196 -2.168) 3.101 12.932 ( 3.306 2.853 2.866) 5.223 12.971 ( 1.738 0.596 -1.529) 2.391 13.186 ( -2.283 2.330 0.691) 3.334 13.321 ( -1.718 -8.832 -6.455) 11.073 14.675 ( 0.550 5.376 9.046) 10.538 14.723 ( 0.555 1.158 6.107) 6.241 15.522 ( -1.781 6.195 -0.190) 6.449 15.655 ( -0.340 -5.858 -5.384) 7.964 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -1.202 12.234 8.430) 14.906 1.861 ( -1.169 2.507 3.516) 4.474 1.940 ( 0.381 -4.522 2.652) 5.256 1.964 ( 1.192 2.522 -2.217) 3.563 2.186 ( 4.114 0.944 -1.678) 4.542 2.253 ( -1.089 -4.147 -2.167) 4.804 2.614 ( 4.536 0.857 0.841) 4.692 2.642 ( 3.806 2.392 8.120) 9.281 2.697 ( 1.688 -0.428 1.800) 2.504 2.748 ( 0.615 -4.358 4.623) 6.383 2.835 ( -0.614 5.893 -2.067) 6.275 3.031 ( -1.498 -10.204 -8.059) 13.089 3.134 ( -4.033 2.104 -0.822) 4.622 3.210 ( -5.126 -3.552 -3.310) 7.060 3.451 ( -4.579 5.932 -7.172) 10.373 3.530 ( -6.499 -1.896 -7.221) 9.898 3.754 ( -1.844 10.104 11.329) 15.291 3.948 ( -0.424 -5.972 7.856) 9.877 4.087 ( 3.482 2.727 -5.241) 6.857 4.159 ( 3.936 -3.335 -4.890) 7.108 4.565 ( -0.187 9.129 9.105) 12.895 4.724 ( -1.102 -4.635 5.060) 6.950 4.942 ( -0.165 1.815 2.194) 2.852 5.030 ( -1.076 -6.725 3.376) 7.601 5.444 ( 1.437 1.741 0.650) 2.350 5.479 ( 0.771 -1.743 2.426) 3.085 5.555 ( 0.297 2.418 -5.303) 5.836 5.675 ( 2.300 -7.363 -10.720) 13.207 6.211 ( -2.791 1.581 1.903) 3.730 6.265 ( -3.257 -3.139 0.985) 4.629 6.416 ( 1.500 2.292 0.093) 2.741 6.476 ( -1.420 -3.575 0.911) 3.953 6.727 ( 2.637 3.581 -0.258) 4.454 6.790 ( 1.324 -0.896 0.931) 1.850 6.930 ( -1.118 -1.315 -0.141) 1.732 6.972 ( -3.859 -4.207 2.664) 6.299 7.540 ( 0.259 6.145 4.443) 7.587 7.636 ( 2.711 -2.672 4.588) 5.962 7.956 ( 3.824 2.555 0.634) 4.642 7.988 ( 1.445 -0.000 0.346) 1.486 8.042 ( 0.025 9.286 -9.178) 13.056 8.135 ( -0.061 0.197 -6.720) 6.723 8.274 ( 2.782 1.960 1.705) 3.806 8.389 ( -2.498 -6.370 -0.312) 6.849 8.698 ( -0.980 2.431 5.819) 6.382 8.784 ( -2.753 -5.218 6.346) 8.665 9.212 ( 0.189 2.440 -8.896) 9.226 9.268 ( -0.721 -2.603 -7.365) 7.845 11.945 ( 0.122 1.436 -0.861) 1.679 11.983 ( -0.691 -1.485 -0.694) 1.779 12.030 ( -0.380 0.390 0.069) 0.549 12.061 ( 0.987 -3.053 -3.655) 4.864 13.001 ( 1.798 1.284 0.298) 2.229 13.008 ( 1.687 1.893 -0.741) 2.642 13.160 ( 0.272 1.511 1.602) 2.219 13.272 ( -0.837 -7.369 -4.440) 8.644 14.707 ( -0.732 5.761 8.348) 10.169 14.757 ( 0.502 1.201 5.215) 5.375 15.491 ( -0.914 6.009 0.021) 6.079 15.624 ( -0.539 -6.118 -5.090) 7.977 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 11.722 0.000 -12.599) 17.209 1.519 ( -11.722 0.000 12.599) 17.209 1.659 ( 2.005 0.000 -9.620) 9.827 1.659 ( -2.005 0.000 9.620) 9.827 2.317 ( -7.090 0.000 2.335) 7.464 2.317 ( 7.090 0.000 -2.335) 7.464 2.723 ( 1.679 0.000 -15.005) 15.098 2.723 ( -1.679 0.000 15.005) 15.098 2.835 ( -4.171 0.000 0.952) 4.278 2.835 ( 4.171 0.000 -0.952) 4.278 2.903 ( 3.311 0.000 -3.292) 4.669 2.903 ( -3.311 0.000 3.292) 4.669 3.187 ( -3.208 0.000 -5.787) 6.617 3.187 ( 3.208 0.000 5.787) 6.617 3.604 ( 1.490 0.000 -10.775) 10.878 3.604 ( -1.490 0.000 10.775) 10.878 3.706 ( 6.312 0.000 -3.306) 7.126 3.706 ( -6.312 0.000 3.306) 7.126 4.072 ( 1.680 0.000 -6.707) 6.914 4.072 ( -1.680 0.000 6.707) 6.914 4.330 ( 3.393 0.000 -6.642) 7.459 4.330 ( -3.393 0.000 6.642) 7.459 5.369 ( -6.873 0.000 -0.961) 6.939 5.369 ( 6.873 0.000 0.961) 6.939 5.640 ( 0.051 0.000 -6.791) 6.791 5.640 ( -0.051 0.000 6.791) 6.791 5.709 ( 3.680 0.000 -11.149) 11.741 5.709 ( -3.680 0.000 11.149) 11.741 6.323 ( 2.706 0.000 -4.919) 5.614 6.323 ( -2.706 0.000 4.919) 5.614 6.449 ( 7.417 0.000 -3.568) 8.231 6.449 ( -7.417 0.000 3.568) 8.231 6.764 ( -7.854 0.000 2.150) 8.143 6.764 ( 7.854 0.000 -2.150) 8.143 7.063 ( 0.624 0.000 -1.241) 1.390 7.063 ( -0.624 0.000 1.241) 1.390 7.159 ( -7.284 0.000 0.474) 7.300 7.159 ( 7.284 0.000 -0.474) 7.300 7.799 ( 2.812 0.000 -11.056) 11.408 7.799 ( -2.812 0.000 11.056) 11.408 8.112 ( 2.430 0.000 -2.546) 3.519 8.112 ( -2.430 0.000 2.546) 3.519 8.325 ( -4.943 0.000 1.531) 5.174 8.325 ( 4.943 0.000 -1.531) 5.174 9.011 ( 9.005 0.000 -4.281) 9.970 9.011 ( -9.005 0.000 4.281) 9.970 9.079 ( -3.822 0.000 -7.332) 8.269 9.079 ( 3.822 0.000 7.332) 8.269 12.030 ( 0.070 0.000 -0.636) 0.639 12.030 ( -0.070 0.000 0.636) 0.639 12.122 ( 0.773 0.000 -7.233) 7.275 12.122 ( -0.773 0.000 7.233) 7.275 12.905 ( -6.923 0.000 -5.824) 9.047 12.905 ( 6.923 0.000 5.824) 9.047 13.491 ( -8.500 0.000 2.789) 8.945 13.491 ( 8.500 0.000 -2.789) 8.945 14.353 ( -0.587 0.000 -2.752) 2.814 14.353 ( 0.587 0.000 2.752) 2.814 15.552 ( 0.499 0.000 -12.402) 12.412 15.552 ( -0.499 0.000 12.402) 12.412 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -4.175 0.000 12.748) 13.414 1.663 ( 1.339 0.000 7.093) 7.218 1.690 ( 3.584 0.000 -6.947) 7.817 1.722 ( 9.411 0.000 -11.169) 14.605 2.193 ( -5.744 0.000 -0.169) 5.746 2.419 ( 0.649 0.000 -4.180) 4.230 2.558 ( -9.488 0.000 -0.008) 9.488 2.648 ( -3.467 0.000 -8.531) 9.209 2.801 ( -2.070 0.000 -7.402) 7.686 2.825 ( -0.024 0.000 0.208) 0.209 2.945 ( 2.751 0.000 11.460) 11.786 3.067 ( 6.705 0.000 0.860) 6.760 3.125 ( -0.093 0.000 -0.720) 0.726 3.281 ( 4.839 0.000 2.302) 5.359 3.542 ( -2.139 0.000 3.280) 3.916 3.618 ( -0.545 0.000 15.814) 15.823 3.726 ( 5.917 0.000 -9.723) 11.382 3.867 ( 9.064 0.000 -9.420) 13.072 4.031 ( -4.835 0.000 7.589) 8.999 4.047 ( -2.125 0.000 -4.937) 5.375 4.260 ( -5.541 0.000 7.733) 9.513 4.344 ( 0.107 0.000 -6.501) 6.502 5.146 ( -9.837 0.000 -4.597) 10.858 5.339 ( -7.220 0.000 3.025) 7.828 5.641 ( -4.216 0.000 14.984) 15.565 5.670 ( 2.129 0.000 -3.929) 4.469 5.757 ( 4.959 0.000 -14.278) 15.114 5.826 ( 9.641 0.000 -1.531) 9.761 6.244 ( -3.702 0.000 2.258) 4.336 6.352 ( 2.383 0.000 -5.056) 5.589 6.419 ( 2.241 0.000 4.540) 5.063 6.596 ( 5.514 0.000 -3.126) 6.339 6.642 ( -4.869 0.000 3.959) 6.275 6.932 ( 7.132 0.000 2.303) 7.495 6.961 ( -5.970 0.000 1.009) 6.055 7.022 ( -2.503 0.000 0.886) 2.655 7.165 ( 4.897 0.000 -1.830) 5.227 7.349 ( 9.615 0.000 -1.523) 9.735 7.793 ( -1.744 0.000 11.302) 11.435 7.837 ( 4.528 0.000 -9.599) 10.613 8.040 ( -4.900 0.000 0.912) 4.984 8.118 ( -1.008 0.000 -2.366) 2.572 8.209 ( -5.720 0.000 0.035) 5.720 8.364 ( -1.235 0.000 -1.774) 2.162 8.812 ( -9.585 0.000 8.710) 12.951 8.897 ( -7.090 0.000 -6.825) 9.841 9.211 ( 4.540 0.000 6.878) 8.242 9.224 ( 8.309 0.000 -2.516) 8.681 12.032 ( 0.342 0.000 -1.085) 1.137 12.035 ( 0.174 0.000 0.924) 0.940 12.130 ( 2.313 0.000 -6.185) 6.603 12.145 ( -0.034 0.000 9.092) 9.092 12.745 ( -6.094 0.000 -2.607) 6.628 12.979 ( -4.178 0.000 6.171) 7.453 13.409 ( 2.069 0.000 1.846) 2.773 13.649 ( 7.602 0.000 -7.730) 10.842 14.325 ( -1.129 0.000 -1.432) 1.824 14.365 ( -0.152 0.000 1.620) 1.627 15.532 ( 2.092 0.000 -12.670) 12.841 15.587 ( -0.569 0.000 11.560) 11.574 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 8.544 0.000 11.281) 14.152 1.718 ( 2.128 0.000 3.855) 4.403 1.743 ( 2.486 0.000 -0.721) 2.588 1.872 ( 8.989 0.000 -13.214) 15.982 2.049 ( -8.052 0.000 -1.467) 8.185 2.273 ( -9.459 0.000 -2.007) 9.670 2.415 ( -5.615 0.000 -4.889) 7.445 2.458 ( -10.766 0.000 1.089) 10.820 2.841 ( 5.461 0.000 -2.966) 6.215 2.877 ( 4.483 0.000 -4.102) 6.076 2.968 ( -1.569 0.000 2.963) 3.353 3.071 ( -4.408 0.000 0.012) 4.408 3.258 ( 9.580 0.000 11.283) 14.801 3.447 ( 10.360 0.000 -1.807) 10.517 3.584 ( 4.408 0.000 -6.668) 7.994 3.676 ( -0.163 0.000 13.375) 13.376 3.802 ( 2.541 0.000 -1.286) 2.848 3.925 ( -6.632 0.000 4.943) 8.272 3.940 ( -0.822 0.000 -8.852) 8.890 3.969 ( -2.589 0.000 -5.353) 5.947 4.194 ( -2.364 0.000 9.909) 10.187 4.299 ( -1.795 0.000 -6.398) 6.645 5.006 ( -1.472 0.000 -5.190) 5.395 5.179 ( -8.500 0.000 3.346) 9.135 5.630 ( -2.134 0.000 15.710) 15.855 5.675 ( 0.649 0.000 -7.344) 7.372 5.807 ( 4.262 0.000 -11.688) 12.440 5.904 ( -1.642 0.000 1.321) 2.107 6.276 ( 5.073 0.000 -0.303) 5.082 6.378 ( 1.231 0.000 -3.484) 3.695 6.516 ( 3.907 0.000 0.738) 3.977 6.614 ( -1.578 0.000 -4.212) 4.498 6.620 ( 3.562 0.000 3.617) 5.076 6.894 ( -2.125 0.000 3.040) 3.709 6.977 ( -1.880 0.000 -0.205) 1.891 6.990 ( -3.129 0.000 6.279) 7.016 7.329 ( 10.658 0.000 -1.912) 10.828 7.506 ( 5.541 0.000 -3.531) 6.570 7.806 ( -0.716 0.000 10.277) 10.302 7.902 ( 1.867 0.000 -7.456) 7.686 7.949 ( -1.189 0.000 0.010) 1.189 8.054 ( -4.592 0.000 1.187) 4.743 8.118 ( -1.618 0.000 -3.933) 4.253 8.276 ( -5.768 0.000 -0.385) 5.781 8.700 ( -4.877 0.000 10.020) 11.144 8.747 ( -4.487 0.000 -7.330) 8.594 9.308 ( 2.591 0.000 6.067) 6.597 9.337 ( 3.570 0.000 -2.890) 4.594 12.036 ( 0.548 0.000 -1.657) 1.745 12.041 ( -0.064 0.000 1.512) 1.514 12.164 ( 2.963 0.000 -7.403) 7.974 12.176 ( -0.577 0.000 10.199) 10.215 12.660 ( -1.366 0.000 -0.057) 1.368 12.833 ( -8.432 0.000 0.393) 8.441 13.537 ( 6.183 0.000 8.274) 10.329 13.722 ( 2.507 0.000 -11.579) 11.847 14.310 ( -0.045 0.000 1.453) 1.454 14.358 ( -0.779 0.000 -0.539) 0.948 15.547 ( 3.550 0.000 -12.105) 12.615 15.601 ( -2.121 0.000 11.140) 11.340 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -8.023 0.000 -2.225) 8.326 1.745 ( 8.023 0.000 2.225) 8.326 1.774 ( -3.790 0.000 -9.978) 10.674 1.774 ( 3.790 0.000 9.978) 10.674 2.079 ( 9.470 0.000 -3.816) 10.210 2.079 ( -9.470 0.000 3.816) 10.210 2.332 ( 2.026 0.000 -9.387) 9.604 2.332 ( -2.026 0.000 9.387) 9.604 2.919 ( 1.900 0.000 -1.291) 2.297 2.919 ( -1.900 0.000 1.291) 2.297 2.975 ( 4.000 0.000 -2.010) 4.477 2.975 ( -4.000 0.000 2.010) 4.477 3.513 ( -8.975 0.000 -11.368) 14.484 3.513 ( 8.975 0.000 11.368) 14.484 3.637 ( 8.240 0.000 -8.691) 11.976 3.637 ( -8.240 0.000 8.691) 11.976 3.855 ( -3.961 0.000 -6.933) 7.985 3.855 ( 3.961 0.000 6.933) 7.985 3.889 ( -1.232 0.000 -2.090) 2.426 3.889 ( 1.232 0.000 2.090) 2.426 4.234 ( -1.937 0.000 -7.260) 7.514 4.234 ( 1.937 0.000 7.260) 7.514 5.040 ( 5.598 0.000 -3.789) 6.759 5.040 ( -5.598 0.000 3.789) 6.759 5.654 ( 0.925 0.000 -12.983) 13.016 5.654 ( -0.925 0.000 12.983) 13.016 5.853 ( 3.588 0.000 -6.333) 7.279 5.853 ( -3.588 0.000 6.333) 7.279 6.362 ( -2.327 0.000 -1.265) 2.648 6.362 ( 2.327 0.000 1.265) 2.648 6.560 ( -1.500 0.000 -3.640) 3.937 6.560 ( 1.500 0.000 3.640) 3.937 6.795 ( 9.731 0.000 -4.140) 10.575 6.795 ( -9.731 0.000 4.140) 10.575 6.951 ( 0.191 0.000 -2.129) 2.137 6.951 ( -0.191 0.000 2.129) 2.137 7.508 ( -4.813 0.000 -2.548) 5.446 7.508 ( 4.813 0.000 2.548) 5.446 7.844 ( -1.469 0.000 -7.531) 7.673 7.844 ( 1.469 0.000 7.531) 7.673 7.983 ( 2.335 0.000 -2.811) 3.654 7.983 ( -2.335 0.000 2.811) 3.654 8.155 ( 5.834 0.000 -3.283) 6.695 8.155 ( -5.834 0.000 3.283) 6.695 8.676 ( 0.493 0.000 -8.653) 8.667 8.676 ( -0.493 0.000 8.653) 8.667 9.356 ( -0.123 0.000 -4.566) 4.568 9.356 ( 0.123 0.000 4.566) 4.568 12.041 ( 0.475 0.000 -1.835) 1.896 12.041 ( -0.475 0.000 1.835) 1.896 12.186 ( 1.951 0.000 -9.586) 9.782 12.186 ( -1.951 0.000 9.586) 9.782 12.693 ( -4.302 0.000 -1.463) 4.544 12.693 ( 4.302 0.000 1.463) 4.544 13.673 ( -2.900 0.000 -11.830) 12.180 13.673 ( 2.900 0.000 11.830) 12.180 14.331 ( -1.115 0.000 -2.167) 2.437 14.331 ( 1.115 0.000 2.167) 2.437 15.581 ( 3.519 0.000 -11.412) 11.942 15.581 ( -3.519 0.000 11.412) 11.942 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 8.837 5.335 -12.281) 16.043 1.576 ( -8.837 5.335 12.281) 16.043 1.718 ( 2.500 5.150 -13.959) 15.088 1.718 ( -2.500 5.150 13.959) 15.088 2.279 ( -1.019 -3.053 0.003) 3.219 2.279 ( 1.019 -3.053 -0.003) 3.219 2.780 ( -4.357 1.472 -6.965) 8.346 2.780 ( 4.357 1.472 6.965) 8.346 2.838 ( -6.015 2.258 -3.434) 7.285 2.838 ( 6.015 2.258 3.434) 7.285 2.896 ( -1.069 0.418 -4.647) 4.787 2.896 ( 1.069 0.418 4.647) 4.787 3.131 ( -4.343 -4.634 -4.779) 7.949 3.131 ( 4.343 -4.634 4.779) 7.949 3.552 ( 6.841 -7.499 -2.725) 10.510 3.552 ( -6.841 -7.499 2.725) 10.510 3.687 ( 3.845 2.718 -13.301) 14.110 3.687 ( -3.845 2.718 13.301) 14.110 4.114 ( -0.012 2.281 -5.912) 6.337 4.114 ( 0.012 2.281 5.912) 6.337 4.411 ( 1.149 6.806 -8.056) 10.609 4.411 ( -1.149 6.806 8.056) 10.609 5.307 ( -7.210 -5.101 -2.888) 9.292 5.307 ( 7.210 -5.101 2.888) 9.292 5.586 ( -3.700 -4.899 -0.344) 6.149 5.586 ( 3.700 -4.899 0.344) 6.149 5.695 ( 1.525 -1.183 -8.884) 9.091 5.695 ( -1.525 -1.183 8.884) 9.091 6.296 ( -0.369 -2.172 -3.161) 3.853 6.296 ( 0.369 -2.172 3.161) 3.853 6.466 ( -2.286 1.291 -2.657) 3.735 6.466 ( 2.286 1.291 2.657) 3.735 6.786 ( -3.351 -0.165 -2.136) 3.977 6.786 ( 3.351 -0.165 2.136) 3.977 7.023 ( 5.577 -0.949 -2.258) 6.091 7.023 ( -5.577 -0.949 2.258) 6.091 7.265 ( -1.920 8.228 -3.082) 8.994 7.265 ( 1.920 8.228 3.082) 8.994 7.828 ( 3.550 2.612 -11.056) 11.902 7.828 ( -3.550 2.612 11.056) 11.902 8.081 ( -1.110 -2.208 -1.949) 3.148 8.081 ( 1.110 -2.208 1.949) 3.148 8.338 ( -3.123 0.834 -1.459) 3.546 8.338 ( 3.123 0.834 1.459) 3.546 8.960 ( -5.806 -3.470 -3.124) 7.451 8.960 ( 5.806 -3.470 3.124) 7.451 9.109 ( -5.453 1.421 -4.943) 7.496 9.109 ( 5.453 1.421 4.943) 7.496 12.026 ( -0.240 -0.539 -0.145) 0.608 12.026 ( 0.240 -0.539 0.145) 0.608 12.086 ( 0.781 -2.891 -6.697) 7.336 12.086 ( -0.781 -2.891 6.697) 7.336 12.915 ( -5.689 0.977 -4.024) 7.037 12.915 ( 5.689 0.977 4.024) 7.037 13.440 ( -2.589 -4.356 -0.834) 5.135 13.440 ( 2.589 -4.356 0.834) 5.135 14.446 ( 1.427 7.988 -5.031) 9.547 14.446 ( -1.427 7.988 5.031) 9.547 15.553 ( 0.432 -0.005 -11.478) 11.486 15.553 ( -0.432 -0.005 11.478) 11.486 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -4.140 7.640 10.901) 13.941 1.670 ( 3.210 1.872 -7.785) 8.626 1.749 ( 3.834 3.653 4.885) 7.205 1.775 ( 5.376 5.350 -8.511) 11.400 2.179 ( -4.826 -1.069 -0.388) 4.959 2.376 ( 2.265 -3.020 -2.282) 4.412 2.590 ( -9.774 2.313 -3.064) 10.501 2.693 ( -7.128 1.232 -3.971) 8.252 2.782 ( -4.083 -2.675 -4.322) 6.520 2.836 ( 2.228 3.587 -2.341) 4.828 2.941 ( 2.811 -0.473 8.822) 9.272 3.054 ( 1.025 -2.278 -1.094) 2.727 3.106 ( 8.185 -0.566 3.233) 8.819 3.250 ( 4.000 -1.770 3.148) 5.389 3.454 ( -1.429 -7.029 2.265) 7.522 3.670 ( 1.723 1.407 13.075) 13.263 3.713 ( 4.983 -6.906 -2.042) 8.758 3.747 ( 4.984 2.347 -10.728) 12.059 4.053 ( -3.094 1.011 -2.487) 4.097 4.123 ( -1.809 3.599 1.080) 4.170 4.359 ( -2.902 7.463 0.188) 8.010 4.408 ( -1.906 6.269 0.368) 6.562 5.120 ( -7.524 -2.120 -5.410) 9.506 5.325 ( -6.190 -1.825 2.380) 6.879 5.548 ( 0.707 -5.413 5.369) 7.657 5.675 ( -0.126 -3.936 6.063) 7.229 5.709 ( 2.574 -3.872 -7.869) 9.140 5.759 ( 7.082 -4.017 -4.426) 9.267 6.229 ( -2.750 -1.193 1.282) 3.260 6.342 ( 2.568 -1.806 0.659) 3.208 6.402 ( 0.543 -0.217 -1.188) 1.324 6.618 ( 5.780 1.556 -2.108) 6.346 6.683 ( -4.448 1.435 -0.183) 4.677 6.838 ( -0.285 -4.185 0.855) 4.281 6.949 ( -1.375 -0.335 4.072) 4.311 7.177 ( 8.867 2.286 -2.111) 9.397 7.196 ( -2.511 8.977 0.195) 9.323 7.383 ( 6.604 4.326 0.041) 7.894 7.781 ( -2.909 -0.241 7.547) 8.092 7.894 ( 4.038 3.604 -5.216) 7.517 7.989 ( -5.616 -2.375 -1.624) 6.310 8.082 ( -1.863 -2.858 0.002) 3.412 8.248 ( -3.187 2.539 -2.230) 4.645 8.394 ( -0.251 2.054 0.105) 2.072 8.791 ( -6.920 -1.314 3.511) 7.871 8.935 ( -7.698 2.671 -2.641) 8.566 9.136 ( 6.725 -4.555 3.094) 8.692 9.251 ( 5.324 0.161 1.349) 5.494 12.024 ( 0.260 -0.605 -0.201) 0.688 12.037 ( 0.474 -0.090 0.298) 0.567 12.089 ( 1.690 -3.380 -5.321) 6.526 12.103 ( -0.166 -3.391 7.067) 7.840 12.772 ( -5.683 2.510 -0.166) 6.215 12.989 ( -2.715 0.760 3.542) 4.527 13.367 ( 1.571 -3.524 0.430) 3.882 13.571 ( 6.163 -6.559 -6.467) 11.083 14.404 ( -2.119 7.305 2.992) 8.173 14.474 ( 0.771 8.581 -1.913) 8.825 15.535 ( 2.005 0.188 -11.481) 11.656 15.588 ( -0.371 -0.040 10.564) 10.570 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 6.186 4.602 9.173) 11.983 1.723 ( 4.229 1.138 -5.208) 6.805 1.782 ( -0.894 3.214 5.981) 6.849 1.926 ( 9.306 3.920 -11.200) 15.080 2.044 ( -7.508 -0.272 -1.376) 7.638 2.300 ( -6.766 1.675 -4.493) 8.293 2.406 ( -7.565 1.590 2.755) 8.206 2.504 ( -8.871 3.097 -2.093) 9.626 2.754 ( 2.825 -5.558 -1.608) 6.439 2.920 ( 2.123 -1.060 -0.934) 2.550 2.963 ( 1.091 1.327 -6.580) 6.801 3.058 ( -2.106 -1.543 9.200) 9.563 3.269 ( 6.741 0.877 5.134) 8.518 3.390 ( 9.726 -3.634 1.960) 10.566 3.502 ( 2.726 -5.612 -0.315) 6.247 3.746 ( -0.953 4.188 -0.650) 4.344 3.766 ( 0.914 -5.868 5.102) 7.830 3.814 ( 5.441 -0.632 -2.400) 5.981 3.977 ( -3.560 0.444 -2.568) 4.412 4.048 ( -4.324 4.816 -3.489) 7.353 4.313 ( -2.190 8.639 5.291) 10.365 4.353 ( -2.199 5.697 -2.626) 6.647 5.005 ( -1.206 -0.187 -5.381) 5.518 5.172 ( -8.312 -0.763 2.720) 8.779 5.591 ( 1.269 -2.841 5.922) 6.690 5.666 ( -1.756 -2.187 3.541) 4.517 5.749 ( 3.880 -5.291 -10.171) 12.104 5.822 ( -0.629 -6.626 0.764) 6.699 6.258 ( 4.704 -1.358 -0.452) 4.916 6.380 ( 0.687 0.083 -2.697) 2.785 6.463 ( 5.009 -3.867 0.372) 6.339 6.609 ( -2.749 -0.167 -1.548) 3.159 6.656 ( 0.418 1.481 1.475) 2.132 6.830 ( -2.081 -3.942 0.688) 4.510 6.958 ( 1.480 1.747 3.072) 3.831 7.134 ( -4.244 8.291 0.970) 9.365 7.366 ( 9.404 1.877 -1.334) 9.682 7.512 ( 4.951 1.332 -0.583) 5.160 7.767 ( -1.138 -3.083 7.435) 8.129 7.841 ( -5.305 -5.134 -2.580) 7.821 7.951 ( 0.139 0.055 -1.407) 1.415 8.058 ( -0.209 3.090 -2.275) 3.843 8.180 ( -0.974 3.488 -3.544) 5.067 8.343 ( -3.910 4.932 0.907) 6.359 8.713 ( -2.671 1.320 4.830) 5.675 8.785 ( -5.452 3.177 -2.656) 6.847 9.260 ( 4.010 -3.784 4.043) 6.837 9.328 ( 1.994 -1.456 -0.881) 2.621 12.033 ( 0.656 -0.292 -0.835) 1.102 12.044 ( -0.039 0.088 0.950) 0.955 12.112 ( 2.231 -4.298 -6.192) 7.861 12.123 ( -0.614 -4.199 7.790) 8.871 12.702 ( -1.141 3.688 2.093) 4.391 12.868 ( -7.079 2.758 -1.354) 7.717 13.471 ( 5.255 -5.515 6.199) 9.822 13.627 ( 1.933 -7.815 -9.899) 12.760 14.394 ( -0.012 7.387 4.112) 8.455 14.463 ( -0.903 8.319 -2.605) 8.764 15.552 ( 3.466 0.388 -11.271) 11.798 15.603 ( -1.892 0.102 10.454) 10.624 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.623 0.131 -2.513) 5.263 1.733 ( 4.623 0.131 2.513) 5.263 1.808 ( -4.873 2.357 -6.093) 8.150 1.808 ( 4.873 2.357 6.093) 8.150 2.133 ( -5.175 3.529 -0.884) 6.325 2.133 ( 5.175 3.529 0.884) 6.325 2.358 ( -1.254 3.312 -7.858) 8.619 2.358 ( 1.254 3.312 7.858) 8.619 2.844 ( -4.496 -4.737 -3.018) 7.195 2.844 ( 4.496 -4.737 3.018) 7.195 3.022 ( 3.837 1.485 -7.602) 8.643 3.022 ( -3.837 1.485 7.602) 8.643 3.449 ( -6.727 -5.240 -3.332) 9.155 3.449 ( 6.727 -5.240 3.332) 9.155 3.604 ( -5.765 -1.367 -6.287) 8.639 3.604 ( 5.765 -1.367 6.287) 8.639 3.863 ( -5.183 -0.491 -1.085) 5.319 3.863 ( 5.183 -0.491 1.085) 5.319 3.940 ( -1.877 4.329 -9.668) 10.758 3.940 ( 1.877 4.329 9.668) 10.758 4.314 ( 0.486 7.099 -8.349) 10.970 4.314 ( -0.486 7.099 8.349) 10.970 5.035 ( 4.326 -0.338 -3.756) 5.739 5.035 ( -4.326 -0.338 3.756) 5.739 5.636 ( 1.494 -2.120 -10.621) 10.933 5.636 ( -1.494 -2.120 10.621) 10.933 5.789 ( 2.726 -5.641 -7.509) 9.780 5.789 ( -2.726 -5.641 7.509) 9.780 6.349 ( -2.743 -0.876 -1.200) 3.120 6.349 ( 2.743 -0.876 1.200) 3.120 6.548 ( -2.754 -1.361 -1.137) 3.276 6.548 ( 2.754 -1.361 1.137) 3.276 6.734 ( -5.755 -3.641 -0.127) 6.811 6.734 ( 5.755 -3.641 0.127) 6.811 7.034 ( -3.575 6.165 -1.826) 7.357 7.034 ( 3.575 6.165 1.826) 7.357 7.521 ( -0.344 0.783 -5.031) 5.103 7.521 ( 0.344 0.783 5.031) 5.103 7.773 ( 0.331 -5.538 -7.019) 8.947 7.773 ( -0.331 -5.538 7.019) 8.947 7.982 ( 1.859 0.884 -5.163) 5.558 7.982 ( -1.859 0.884 5.163) 5.558 8.247 ( 3.921 6.669 -4.171) 8.789 8.247 ( -3.921 6.669 4.171) 8.789 8.707 ( 0.855 2.760 -9.134) 9.580 8.707 ( -0.855 2.760 9.134) 9.580 9.328 ( -0.238 -2.683 -5.152) 5.814 9.328 ( 0.238 -2.683 5.152) 5.814 12.042 ( 0.522 -0.019 -1.495) 1.583 12.042 ( -0.522 -0.019 1.495) 1.583 12.128 ( 1.656 -4.644 -7.945) 9.350 12.128 ( -1.656 -4.644 7.945) 9.350 12.741 ( -3.664 3.915 -3.346) 6.320 12.741 ( 3.664 3.915 3.346) 6.320 13.584 ( -1.763 -7.337 -11.266) 13.560 13.584 ( 1.763 -7.337 11.266) 13.560 14.425 ( -1.171 7.786 -4.174) 8.912 14.425 ( 1.171 7.786 4.174) 8.912 15.586 ( 3.323 0.331 -10.838) 11.341 15.586 ( -3.323 0.331 10.838) 11.341 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 3.195 8.018 -10.969) 13.958 1.726 ( -3.195 8.018 10.969) 13.958 1.858 ( 0.406 7.620 -12.192) 14.383 1.858 ( -0.406 7.620 12.192) 14.383 2.206 ( 2.793 -3.713 -1.120) 4.779 2.206 ( -2.793 -3.713 1.120) 4.779 2.737 ( -3.470 -3.472 -1.782) 5.222 2.737 ( 3.470 -3.472 1.782) 5.222 2.844 ( -0.482 -1.114 -3.726) 3.919 2.844 ( 0.482 -1.114 3.726) 3.919 2.968 ( -2.934 -1.006 0.391) 3.126 2.968 ( 2.934 -1.006 -0.391) 3.126 3.067 ( -4.087 3.141 -3.318) 6.130 3.067 ( 4.087 3.141 3.318) 6.130 3.370 ( -5.199 -8.084 -1.674) 9.756 3.370 ( 5.199 -8.084 1.674) 9.756 3.800 ( 3.699 7.231 -14.261) 16.411 3.800 ( -3.699 7.231 14.261) 16.411 4.136 ( 0.884 -0.378 -5.594) 5.676 4.136 ( -0.884 -0.378 5.594) 5.676 4.574 ( -0.537 7.902 -7.509) 10.915 4.574 ( 0.537 7.902 7.509) 10.915 5.176 ( -4.699 -7.196 -4.673) 9.783 5.176 ( 4.699 -7.196 4.673) 9.783 5.481 ( -3.851 -3.771 -2.540) 5.959 5.481 ( 3.851 -3.771 2.540) 5.959 5.646 ( 1.118 -3.548 -6.854) 7.798 5.646 ( -1.118 -3.548 6.854) 7.798 6.249 ( -1.213 -1.956 -1.997) 3.048 6.249 ( 1.213 -1.956 1.997) 3.048 6.477 ( -1.549 -0.754 -1.873) 2.545 6.477 ( 1.549 -0.754 1.873) 2.545 6.761 ( -2.618 -0.373 -0.786) 2.759 6.761 ( 2.618 -0.373 0.786) 2.759 7.001 ( 5.725 -2.422 -2.690) 6.773 7.001 ( -5.725 -2.422 2.690) 6.773 7.485 ( -0.707 11.441 -6.577) 13.215 7.485 ( 0.707 11.441 6.577) 13.215 7.899 ( 5.213 3.599 -10.865) 12.577 7.899 ( -5.213 3.599 10.865) 12.577 8.042 ( -0.205 -1.312 -3.691) 3.923 8.042 ( 0.205 -1.312 3.691) 3.923 8.347 ( -3.079 -0.031 -1.740) 3.537 8.347 ( 3.079 -0.031 1.740) 3.537 8.886 ( -4.982 -3.258 -3.513) 6.912 8.886 ( 4.982 -3.258 3.513) 6.912 9.119 ( -3.937 -0.485 -4.086) 5.695 9.119 ( 3.937 -0.485 4.086) 5.695 11.993 ( 0.481 -2.532 -2.182) 3.377 11.993 ( -0.481 -2.532 2.182) 3.377 12.040 ( 0.639 -0.970 -2.966) 3.185 12.040 ( -0.639 -0.970 2.966) 3.185 12.949 ( -2.936 2.153 -1.291) 3.862 12.949 ( 2.936 2.153 1.291) 3.862 13.329 ( -3.207 -5.586 -0.851) 6.497 13.329 ( 3.207 -5.586 0.851) 6.497 14.643 ( 2.265 9.511 -5.059) 11.008 14.643 ( -2.265 9.511 5.059) 11.008 15.545 ( 0.319 -0.865 -8.609) 8.658 15.545 ( -0.319 -0.865 8.609) 8.658 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -4.486 10.307 7.566) 13.550 1.743 ( 2.173 4.853 -15.246) 16.147 1.839 ( 3.229 4.558 5.486) 7.829 1.915 ( 1.200 6.727 -0.978) 6.903 2.156 ( -2.677 -0.986 -0.607) 2.916 2.301 ( 4.209 -4.303 1.184) 6.135 2.612 ( -6.678 -0.059 -3.390) 7.490 2.703 ( -6.802 -0.471 -4.681) 8.270 2.744 ( -4.802 1.300 -3.222) 5.928 2.838 ( 0.313 -4.862 4.657) 6.740 2.941 ( 0.548 -5.167 -3.893) 6.492 2.987 ( 0.777 2.653 5.872) 6.490 3.159 ( 8.430 3.975 3.052) 9.807 3.228 ( 4.163 -0.682 1.313) 4.418 3.292 ( 1.955 -6.937 0.699) 7.241 3.508 ( 6.152 -7.825 2.154) 10.185 3.789 ( -0.173 5.634 6.728) 8.777 3.847 ( 3.405 6.907 -7.638) 10.846 4.060 ( -4.277 -0.753 0.747) 4.407 4.163 ( -0.236 0.331 -1.472) 1.527 4.522 ( -1.273 8.017 -7.110) 10.791 4.585 ( -2.119 9.251 7.558) 12.132 5.062 ( -3.921 -3.514 -6.008) 7.989 5.238 ( -1.539 -6.726 0.442) 6.914 5.439 ( 1.305 -4.440 4.377) 6.370 5.552 ( 0.875 -4.443 5.570) 7.178 5.609 ( -1.467 -5.891 -0.021) 6.071 5.676 ( 2.121 -4.201 -5.808) 7.475 6.204 ( -1.577 -0.921 1.293) 2.237 6.286 ( 1.717 -2.856 3.624) 4.923 6.415 ( -0.145 0.960 -3.073) 3.223 6.599 ( 3.267 -3.549 -2.005) 5.224 6.696 ( -0.622 0.703 -1.266) 1.576 6.807 ( 0.097 0.953 -0.934) 1.338 6.932 ( -0.379 -1.204 2.702) 2.983 7.140 ( 7.561 -4.238 -3.951) 9.526 7.425 ( -2.152 10.400 -1.243) 10.693 7.555 ( 2.434 10.467 5.054) 11.876 7.776 ( -6.957 -0.486 6.230) 9.351 7.941 ( -4.765 2.158 -3.193) 6.128 7.978 ( -3.723 -1.102 1.898) 4.322 8.067 ( 5.933 2.618 -4.475) 7.879 8.286 ( -2.308 1.062 -2.602) 3.636 8.418 ( 1.685 -0.251 1.596) 2.335 8.773 ( -2.771 -0.029 -0.628) 2.841 8.982 ( -4.965 0.391 -3.032) 5.831 9.040 ( 5.203 -3.088 4.547) 7.568 9.224 ( 3.478 -2.601 1.982) 4.774 11.990 ( 0.193 -2.955 0.431) 2.992 12.004 ( 0.730 -2.775 -1.249) 3.130 12.040 ( -0.241 -0.908 2.354) 2.535 12.048 ( 0.682 -0.861 -0.793) 1.355 12.846 ( -4.472 4.317 2.459) 6.685 13.005 ( -1.075 0.609 0.680) 1.410 13.283 ( 1.107 -3.876 -1.972) 4.487 13.409 ( 3.656 -8.016 -3.959) 9.659 14.596 ( -2.675 9.767 4.832) 11.221 14.668 ( 0.562 8.715 -2.812) 9.174 15.534 ( 1.842 -0.279 -8.110) 8.321 15.578 ( 0.274 -1.062 7.264) 7.346 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.313 7.281 3.345) 8.340 1.772 ( 4.135 3.309 -7.457) 9.146 1.857 ( -3.729 3.180 7.922) 9.316 2.010 ( 8.531 2.809 -5.161) 10.359 2.044 ( -7.439 1.210 -5.738) 9.472 2.304 ( -5.067 -1.662 4.125) 6.741 2.490 ( -3.518 5.254 -0.569) 6.349 2.608 ( -6.214 4.298 -3.616) 8.376 2.639 ( 2.348 -1.726 -0.139) 2.917 2.836 ( -2.500 -6.042 -3.372) 7.357 2.959 ( 2.465 -2.954 0.073) 3.848 3.022 ( -0.185 -1.327 5.123) 5.295 3.267 ( 3.688 -0.839 -0.163) 3.786 3.341 ( 5.960 -1.109 3.351) 6.926 3.419 ( 6.341 -2.050 1.371) 6.803 3.612 ( 1.650 -6.874 5.744) 9.109 3.822 ( 2.742 2.617 -10.568) 11.227 3.883 ( 1.709 5.638 5.918) 8.350 3.979 ( -3.547 -0.311 0.811) 3.652 4.116 ( -3.373 1.430 -3.311) 4.939 4.493 ( 1.155 9.234 -7.172) 11.749 4.550 ( -3.679 11.014 8.721) 14.522 4.994 ( -0.293 -0.927 -4.707) 4.807 5.143 ( -6.150 -2.233 0.391) 6.555 5.518 ( 2.983 -4.219 1.582) 5.404 5.566 ( -1.820 -6.091 8.337) 10.484 5.592 ( 0.717 -8.882 0.370) 8.918 5.680 ( 0.284 -6.130 -7.192) 9.454 6.236 ( 4.179 -0.434 0.451) 4.225 6.358 ( 3.647 -3.077 1.710) 5.069 6.409 ( 0.436 0.133 -2.826) 2.862 6.572 ( -3.314 -2.994 0.570) 4.503 6.697 ( -0.318 1.349 -0.462) 1.461 6.788 ( -2.026 1.211 -0.997) 2.563 6.995 ( 5.238 0.842 1.671) 5.562 7.229 ( 0.373 -2.835 -5.889) 6.547 7.411 ( 2.639 5.681 0.477) 6.282 7.606 ( -0.414 5.776 4.390) 7.267 7.672 ( -4.142 -3.223 7.294) 8.986 7.815 ( -4.979 1.622 -4.495) 6.902 7.925 ( -0.307 -1.146 0.388) 1.248 8.118 ( -4.605 -0.136 0.820) 4.680 8.271 ( 5.806 5.802 -5.681) 9.982 8.433 ( -0.606 2.844 1.235) 3.159 8.758 ( 0.648 3.035 -0.720) 3.186 8.865 ( -5.144 4.153 0.666) 6.644 9.163 ( 4.721 -5.079 2.896) 7.515 9.269 ( 0.436 -4.029 0.451) 4.077 12.001 ( 0.489 -3.773 0.677) 3.864 12.011 ( 0.423 -3.323 -1.550) 3.691 12.046 ( 0.172 -0.581 1.736) 1.838 12.058 ( 0.301 -0.763 -0.132) 0.830 12.800 ( -0.884 5.264 3.849) 6.580 12.929 ( -4.575 2.635 -2.570) 5.872 13.341 ( 3.237 -6.020 2.357) 7.230 13.439 ( 0.980 -9.177 -6.596) 11.344 14.582 ( -0.395 9.364 5.186) 10.712 14.649 ( -1.142 8.262 -2.984) 8.858 15.558 ( 3.034 0.034 -8.407) 8.938 15.597 ( -1.045 -0.765 7.602) 7.711 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 6.552 3.115 -3.849) 8.213 1.769 ( -6.552 3.115 3.849) 8.213 1.864 ( -4.896 2.785 -5.549) 7.907 1.864 ( 4.896 2.785 5.549) 7.907 2.173 ( 8.138 0.374 -4.451) 9.283 2.173 ( -8.138 0.374 4.451) 9.283 2.490 ( -1.985 7.776 -5.622) 9.798 2.490 ( 1.985 7.776 5.622) 9.798 2.737 ( -3.813 -4.771 -5.284) 8.076 2.737 ( 3.813 -4.771 5.284) 8.076 3.009 ( 1.976 -2.488 -10.717) 11.178 3.009 ( -1.976 -2.488 10.717) 11.178 3.359 ( -2.594 -2.188 -1.181) 3.593 3.359 ( 2.594 -2.188 1.181) 3.593 3.568 ( -1.391 -2.882 -4.746) 5.724 3.568 ( 1.391 -2.882 4.746) 5.724 3.869 ( 4.043 1.218 -4.833) 6.417 3.869 ( -4.043 1.218 4.833) 6.417 4.011 ( -2.976 2.208 -8.936) 9.674 4.011 ( 2.976 2.208 8.936) 9.674 4.511 ( 3.022 10.903 -9.190) 14.577 4.511 ( -3.022 10.903 9.190) 14.577 5.028 ( 1.416 -0.384 -3.683) 3.964 5.028 ( -1.416 -0.384 3.683) 3.964 5.550 ( 2.416 -5.758 -10.105) 11.879 5.550 ( -2.416 -5.758 10.105) 11.879 5.641 ( -0.291 -7.633 -10.205) 12.747 5.641 ( 0.291 -7.633 10.205) 12.747 6.337 ( -3.521 -0.091 -1.381) 3.783 6.337 ( 3.521 -0.091 1.381) 3.783 6.485 ( -5.376 -4.016 1.486) 6.873 6.485 ( 5.376 -4.016 -1.486) 6.873 6.721 ( -1.886 2.344 -1.436) 3.334 6.721 ( 1.886 2.344 1.436) 3.334 7.130 ( -4.958 1.193 -4.544) 6.830 7.130 ( 4.958 1.193 4.544) 6.830 7.521 ( -0.767 -0.626 -3.789) 3.916 7.521 ( 0.767 -0.626 3.789) 3.916 7.710 ( -2.489 0.936 -9.011) 9.395 7.710 ( 2.489 0.936 9.011) 9.395 7.990 ( 1.554 -0.630 -7.913) 8.089 7.990 ( -1.554 -0.630 7.913) 8.089 8.387 ( 3.018 5.694 -3.444) 7.307 8.387 ( -3.018 5.694 3.444) 7.307 8.786 ( 1.982 4.662 -10.062) 11.266 8.786 ( -1.982 4.662 10.062) 11.266 9.246 ( 0.144 -4.916 -6.308) 7.998 9.246 ( -0.144 -4.916 6.308) 7.998 12.010 ( 0.673 -3.880 -4.323) 5.848 12.010 ( -0.673 -3.880 4.323) 5.848 12.057 ( -0.232 -0.559 -0.648) 0.886 12.057 ( 0.232 -0.559 0.648) 0.886 12.836 ( -2.741 4.680 -4.208) 6.865 12.836 ( 2.741 4.680 4.208) 6.865 13.408 ( -0.303 -8.442 -8.961) 12.315 13.408 ( 0.303 -8.442 8.961) 12.315 14.610 ( -1.024 8.641 -4.543) 9.817 14.610 ( 1.024 8.641 4.543) 9.817 15.588 ( 2.536 -0.247 -8.456) 8.831 15.588 ( -2.536 -0.247 8.456) 8.831 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.086 5.187 -6.318) 8.175 1.878 ( 0.086 5.187 6.318) 8.175 2.006 ( -3.023 5.161 -3.968) 7.177 2.006 ( 3.023 5.161 3.968) 7.177 2.124 ( -0.478 -3.675 -2.664) 4.564 2.124 ( 0.478 -3.675 2.664) 4.564 2.671 ( -1.153 -2.105 -1.366) 2.762 2.671 ( 1.153 -2.105 1.366) 2.762 2.829 ( -0.297 -0.031 -2.963) 2.978 2.829 ( 0.297 -0.031 2.963) 2.978 2.891 ( -4.888 -3.232 -0.639) 5.894 2.891 ( 4.888 -3.232 0.639) 5.894 3.156 ( -1.447 2.323 -6.902) 7.425 3.156 ( 1.447 2.323 6.902) 7.425 3.251 ( -3.050 -2.670 -6.452) 7.620 3.251 ( 3.050 -2.670 6.452) 7.620 3.965 ( 3.487 7.556 -11.210) 13.961 3.965 ( -3.487 7.556 11.210) 13.961 4.091 ( 2.803 -4.039 -7.106) 8.641 4.091 ( -2.803 -4.039 7.106) 8.641 4.730 ( -0.304 6.277 -3.974) 7.436 4.730 ( 0.304 6.277 3.974) 7.436 5.014 ( -1.670 -6.963 -2.228) 7.499 5.014 ( 1.670 -6.963 2.228) 7.499 5.451 ( -2.650 0.475 -1.440) 3.053 5.451 ( 2.650 0.475 1.440) 3.053 5.564 ( 0.980 -3.239 -3.032) 4.543 5.564 ( -0.980 -3.239 3.032) 4.543 6.220 ( -0.548 -0.706 -0.921) 1.283 6.220 ( 0.548 -0.706 0.921) 1.283 6.448 ( -0.047 -1.139 -0.764) 1.372 6.448 ( 0.047 -1.139 0.764) 1.372 6.793 ( -0.874 2.672 -0.738) 2.906 6.793 ( 0.874 2.672 0.738) 2.906 6.925 ( 3.481 -3.827 -1.981) 5.540 6.925 ( -3.481 -3.827 1.981) 5.540 7.689 ( -0.736 6.314 -5.201) 8.214 7.689 ( 0.736 6.314 5.201) 8.214 7.952 ( 4.550 0.998 -7.814) 9.098 7.952 ( -4.550 0.998 7.814) 9.098 8.023 ( 3.525 -0.558 -4.431) 5.689 8.023 ( -3.525 -0.558 4.431) 5.689 8.343 ( -1.365 -0.157 -0.698) 1.541 8.343 ( 1.365 -0.157 0.698) 1.541 8.834 ( -2.411 -1.374 -1.590) 3.198 8.834 ( 2.411 -1.374 1.590) 3.198 9.100 ( -1.607 -0.765 -1.800) 2.531 9.100 ( 1.607 -0.765 1.800) 2.531 11.951 ( 0.051 -1.067 -1.176) 1.589 11.951 ( -0.051 -1.067 1.176) 1.589 12.029 ( 0.287 -0.264 -0.691) 0.793 12.029 ( -0.287 -0.264 0.691) 0.793 12.997 ( 0.855 1.881 -0.561) 2.141 12.997 ( -0.855 1.881 0.561) 2.141 13.228 ( -1.285 -3.262 -0.649) 3.566 13.228 ( 1.285 -3.262 0.649) 3.566 14.802 ( 1.174 4.446 -2.196) 5.096 14.802 ( -1.174 4.446 2.196) 5.096 15.522 ( 0.158 -0.891 -3.420) 3.538 15.522 ( -0.158 -0.891 3.420) 3.538 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.144 5.717 -3.931) 6.940 1.875 ( -4.906 7.396 -4.029) 9.747 1.911 ( 0.671 1.225 2.698) 3.038 1.987 ( -2.675 -1.562 -1.193) 3.319 2.154 ( 1.270 1.419 1.354) 2.337 2.208 ( 3.731 -3.696 2.255) 5.715 2.612 ( -4.489 1.190 -1.325) 4.829 2.692 ( -2.258 -5.180 -0.224) 5.655 2.737 ( -2.092 2.359 0.145) 3.157 2.809 ( -2.374 -1.500 3.668) 4.620 2.853 ( 0.952 2.353 -2.734) 3.730 2.974 ( 2.215 -5.117 -6.579) 8.624 3.180 ( 4.566 -0.220 -0.482) 4.596 3.199 ( 4.209 -1.386 -5.962) 7.429 3.280 ( 3.892 3.951 9.017) 10.586 3.374 ( 5.003 -5.013 8.660) 11.187 3.917 ( -2.823 5.809 4.383) 7.805 4.004 ( 0.300 4.847 -3.926) 6.245 4.019 ( -2.183 -0.788 0.415) 2.357 4.131 ( 1.241 -3.711 -4.379) 5.873 4.697 ( -0.728 7.881 -2.621) 8.337 4.755 ( 0.330 4.984 1.214) 5.141 4.978 ( -0.693 -2.796 -2.087) 3.557 5.061 ( 1.624 -8.624 0.276) 8.780 5.393 ( -2.380 0.529 4.324) 4.964 5.462 ( -3.183 -5.422 7.408) 9.717 5.537 ( 0.066 0.931 -2.852) 3.001 5.591 ( 0.906 -3.582 -4.781) 6.042 6.200 ( -0.480 0.649 2.560) 2.685 6.231 ( 0.504 -2.202 3.664) 4.304 6.444 ( 1.159 2.082 -2.485) 3.444 6.510 ( 2.380 -4.051 -1.856) 5.052 6.735 ( -0.906 3.085 -1.052) 3.383 6.806 ( -1.224 -2.585 -0.726) 2.950 6.937 ( 4.349 2.931 -1.070) 5.353 7.032 ( 6.008 -5.320 -3.598) 8.794 7.607 ( -4.196 6.542 -2.008) 8.027 7.695 ( -3.096 -0.849 -1.702) 3.634 7.815 ( -6.218 6.428 11.871) 14.863 7.930 ( -5.032 -3.532 7.059) 9.361 8.020 ( -3.158 4.811 -3.807) 6.900 8.100 ( 3.987 -1.380 -3.569) 5.527 8.314 ( 0.360 2.325 -2.404) 3.363 8.379 ( 2.968 -3.098 0.179) 4.294 8.806 ( 1.221 3.255 -3.087) 4.649 8.900 ( 2.969 -5.193 -3.276) 6.820 9.069 ( -0.910 3.345 3.731) 5.093 9.150 ( 1.392 -4.013 3.010) 5.207 11.945 ( -0.212 -0.889 -0.290) 0.959 11.954 ( -0.223 -1.619 1.097) 1.969 12.032 ( 0.461 0.061 0.205) 0.508 12.038 ( 0.785 -0.393 -0.732) 1.143 12.943 ( -2.974 4.446 2.863) 6.067 13.005 ( -1.453 -1.063 1.128) 2.125 13.223 ( 1.451 -1.184 -3.502) 3.971 13.262 ( 1.899 -5.049 -3.005) 6.175 14.770 ( -2.278 5.596 3.256) 6.864 14.800 ( -0.834 2.894 -0.651) 3.082 15.529 ( 1.688 0.070 -3.306) 3.713 15.547 ( 1.186 -1.521 2.017) 2.791 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.275 6.386 -4.299) 7.703 1.852 ( 1.075 3.752 0.247) 3.911 1.892 ( -2.627 0.359 0.708) 2.745 1.976 ( 0.231 -4.343 1.231) 4.520 2.140 ( -1.133 5.375 -4.486) 7.092 2.241 ( -1.921 -4.031 2.185) 4.972 2.537 ( -1.297 1.406 1.732) 2.581 2.606 ( -3.313 -2.114 -0.479) 3.959 2.738 ( 0.023 0.414 -0.678) 0.795 2.765 ( -2.363 3.486 0.745) 4.277 2.893 ( 2.416 -0.345 1.119) 2.685 2.971 ( 0.126 -4.035 -6.143) 7.351 3.271 ( 6.152 1.936 -3.568) 7.371 3.345 ( 7.761 -3.135 -1.259) 8.465 3.377 ( 2.191 2.506 5.994) 6.856 3.480 ( 1.148 -5.699 10.463) 11.970 3.888 ( -0.251 3.196 -1.369) 3.486 3.941 ( -3.140 -1.455 1.536) 3.786 4.020 ( 0.116 4.969 -1.835) 5.298 4.105 ( -2.206 -2.493 -3.880) 5.112 4.697 ( 1.959 8.891 -3.663) 9.814 4.756 ( -0.624 6.101 2.141) 6.496 4.970 ( 0.513 -0.301 -1.366) 1.490 5.056 ( -2.028 -5.961 -0.636) 6.328 5.410 ( 1.491 -3.806 8.994) 9.880 5.427 ( -1.830 -5.159 7.219) 9.060 5.506 ( -1.804 0.483 -4.641) 5.003 5.565 ( -1.285 -4.522 -7.105) 8.520 6.246 ( 4.051 1.376 1.848) 4.661 6.291 ( 4.100 -2.796 2.271) 5.457 6.436 ( -1.595 2.105 -1.707) 3.145 6.496 ( -3.000 -3.548 0.207) 4.650 6.743 ( 1.681 3.309 -1.193) 3.899 6.807 ( 0.892 -1.419 -1.459) 2.223 7.018 ( 3.660 2.705 -1.079) 4.677 7.115 ( 2.636 -5.817 -4.774) 7.974 7.527 ( -2.513 3.903 0.065) 4.642 7.586 ( -4.809 -2.382 -0.288) 5.374 7.772 ( -3.082 6.044 10.650) 12.627 7.851 ( -4.722 -0.812 1.189) 4.937 7.937 ( -1.343 4.085 -2.163) 4.813 8.054 ( -5.365 -5.206 0.189) 7.477 8.389 ( 5.880 4.535 -2.936) 7.985 8.450 ( 2.784 -1.158 -0.049) 3.015 8.843 ( 3.049 4.815 -3.900) 6.906 8.923 ( 0.186 -0.706 -2.117) 2.239 9.088 ( 1.205 0.154 3.811) 4.000 9.167 ( -0.929 -5.253 2.796) 6.023 11.942 ( 0.107 -1.237 -0.498) 1.338 11.950 ( -0.464 -1.895 1.204) 2.293 12.045 ( 0.648 0.208 -0.004) 0.680 12.051 ( 0.556 -0.279 -0.392) 0.735 12.911 ( -1.030 4.746 3.398) 5.927 12.965 ( -2.175 0.144 -0.379) 2.213 13.243 ( 1.059 -2.480 -1.273) 2.982 13.273 ( 0.499 -5.481 -4.444) 7.074 14.746 ( -0.992 5.226 3.335) 6.279 14.774 ( -1.224 2.728 -0.651) 3.060 15.558 ( 2.021 0.193 -3.527) 4.070 15.574 ( 0.460 -1.230 2.309) 2.656 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 2.893 2.075 -3.873) 5.261 1.835 ( -2.893 2.075 3.873) 5.261 1.920 ( -4.185 2.199 -2.616) 5.403 1.920 ( 4.185 2.199 2.616) 5.403 2.166 ( 4.107 -0.656 -2.726) 4.973 2.166 ( -4.107 -0.656 2.726) 4.973 2.557 ( -1.469 -1.548 -2.177) 3.049 2.557 ( 1.469 -1.548 2.177) 3.049 2.736 ( 0.374 4.229 -1.014) 4.365 2.736 ( -0.374 4.229 1.014) 4.365 2.941 ( 0.200 -3.133 -7.401) 8.039 2.941 ( -0.200 -3.133 7.401) 8.039 3.372 ( 3.987 3.318 -6.441) 8.270 3.372 ( -3.987 3.318 6.441) 8.270 3.475 ( 4.955 -5.459 -9.356) 11.911 3.475 ( -4.955 -5.459 9.356) 11.911 3.898 ( 1.714 1.009 -2.962) 3.568 3.898 ( -1.714 1.009 2.962) 3.568 4.037 ( -1.621 0.482 -3.813) 4.172 4.037 ( 1.621 0.482 3.813) 4.172 4.737 ( 2.175 8.778 -6.672) 11.238 4.737 ( -2.175 8.778 6.672) 11.238 4.999 ( 0.338 -2.776 -3.133) 4.199 4.999 ( -0.338 -2.776 3.133) 4.199 5.446 ( 0.203 -2.279 -10.416) 10.665 5.446 ( -0.203 -2.279 10.416) 10.665 5.495 ( -2.220 -5.331 -8.781) 10.510 5.495 ( 2.220 -5.331 8.781) 10.510 6.347 ( -2.909 0.870 -1.126) 3.239 6.347 ( 2.909 0.870 1.126) 3.239 6.413 ( -2.625 -2.394 -0.293) 3.565 6.413 ( 2.625 -2.395 0.293) 3.565 6.788 ( -1.737 2.743 -0.911) 3.372 6.788 ( 1.737 2.743 0.911) 3.372 7.091 ( -2.920 -2.781 -2.466) 4.727 7.091 ( 2.920 -2.781 2.466) 4.727 7.521 ( -1.151 0.404 -1.088) 1.635 7.521 ( 1.151 0.404 1.088) 1.635 7.774 ( -0.795 3.200 -6.703) 7.470 7.774 ( 0.795 3.200 6.703) 7.470 7.959 ( 0.794 -1.691 -6.007) 6.291 7.959 ( -0.794 -1.691 6.007) 6.291 8.466 ( 0.870 1.772 -1.222) 2.322 8.466 ( -0.870 1.772 1.222) 2.322 8.894 ( 2.021 4.619 -7.291) 8.864 8.894 ( -2.021 4.619 7.291) 8.864 9.135 ( 0.911 -4.601 -5.517) 7.241 9.135 ( -0.911 -4.601 5.517) 7.241 11.945 ( 0.423 -1.707 -1.802) 2.518 11.945 ( -0.423 -1.707 1.802) 2.518 12.055 ( -0.017 0.013 -0.341) 0.341 12.055 ( 0.017 0.013 0.341) 0.341 12.924 ( -1.025 3.011 -2.606) 4.112 12.924 ( 1.025 3.011 2.606) 4.112 13.259 ( 0.179 -4.613 -4.214) 6.250 13.259 ( -0.179 -4.613 4.214) 6.250 14.751 ( -0.396 3.886 -2.104) 4.437 14.751 ( 0.396 3.886 2.104) 4.437 15.578 ( 0.978 -0.454 -3.389) 3.556 15.578 ( -0.978 -0.454 3.389) 3.556 =================== 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 3/20160 10.0 1335.054 1217.898 1321.232 0.000 -374.432 0.000 3/20160 20.0 198.233 268.100 218.707 0.000 -58.408 0.000 3/20160 30.0 78.480 117.362 91.785 0.000 -22.799 0.000 3/20160 40.0 44.331 67.280 52.212 0.000 -12.121 0.000 3/20160 50.0 29.224 44.309 34.514 0.000 -7.594 0.000 3/20160 60.0 21.060 31.859 24.986 0.000 -5.277 0.000 3/20160 70.0 16.141 24.378 19.256 0.000 -3.942 0.000 3/20160 80.0 12.948 19.535 15.531 0.000 -3.105 0.000 3/20160 90.0 10.753 16.210 12.963 0.000 -2.544 0.000 3/20160 100.0 9.172 13.817 11.107 0.000 -2.148 0.000 3/20160 110.0 7.989 12.028 9.712 0.000 -1.857 0.000 3/20160 120.0 7.075 10.646 8.631 0.000 -1.635 0.000 3/20160 130.0 6.349 9.550 7.771 0.000 -1.460 0.000 3/20160 140.0 5.761 8.662 7.071 0.000 -1.320 0.000 3/20160 150.0 5.275 7.928 6.490 0.000 -1.205 0.000 3/20160 160.0 4.866 7.312 6.002 0.000 -1.108 0.000 3/20160 170.0 4.518 6.788 5.585 0.000 -1.027 0.000 3/20160 180.0 4.218 6.336 5.224 0.000 -0.957 0.000 3/20160 190.0 3.956 5.943 4.909 0.000 -0.896 0.000 3/20160 200.0 3.727 5.597 4.632 0.000 -0.843 0.000 3/20160 210.0 3.523 5.291 4.386 0.000 -0.796 0.000 3/20160 220.0 3.341 5.018 4.165 0.000 -0.754 0.000 3/20160 230.0 3.178 4.773 3.967 0.000 -0.716 0.000 3/20160 240.0 3.030 4.551 3.787 0.000 -0.682 0.000 3/20160 250.0 2.896 4.350 3.624 0.000 -0.652 0.000 3/20160 260.0 2.774 4.166 3.475 0.000 -0.624 0.000 3/20160 270.0 2.662 3.998 3.337 0.000 -0.598 0.000 3/20160 280.0 2.558 3.843 3.211 0.000 -0.575 0.000 3/20160 290.0 2.463 3.700 3.094 0.000 -0.553 0.000 3/20160 300.0 2.375 3.568 2.986 0.000 -0.533 0.000 3/20160 310.0 2.293 3.445 2.885 0.000 -0.514 0.000 3/20160 320.0 2.217 3.331 2.791 0.000 -0.497 0.000 3/20160 330.0 2.146 3.224 2.703 0.000 -0.481 0.000 3/20160 340.0 2.079 3.124 2.620 0.000 -0.466 0.000 3/20160 350.0 2.016 3.030 2.543 0.000 -0.452 0.000 3/20160 360.0 1.957 2.942 2.470 0.000 -0.438 0.000 3/20160 370.0 1.902 2.858 2.401 0.000 -0.426 0.000 3/20160 380.0 1.850 2.780 2.336 0.000 -0.414 0.000 3/20160 390.0 1.800 2.706 2.274 0.000 -0.403 0.000 3/20160 400.0 1.753 2.635 2.216 0.000 -0.392 0.000 3/20160 410.0 1.709 2.569 2.161 0.000 -0.382 0.000 3/20160 420.0 1.667 2.505 2.108 0.000 -0.373 0.000 3/20160 430.0 1.627 2.445 2.058 0.000 -0.364 0.000 3/20160 440.0 1.588 2.388 2.010 0.000 -0.355 0.000 3/20160 450.0 1.552 2.333 1.965 0.000 -0.347 0.000 3/20160 460.0 1.517 2.281 1.921 0.000 -0.339 0.000 3/20160 470.0 1.484 2.231 1.880 0.000 -0.331 0.000 3/20160 480.0 1.452 2.183 1.840 0.000 -0.324 0.000 3/20160 490.0 1.422 2.138 1.802 0.000 -0.317 0.000 3/20160 500.0 1.393 2.094 1.765 0.000 -0.311 0.000 3/20160 510.0 1.365 2.052 1.730 0.000 -0.305 0.000 3/20160 520.0 1.338 2.011 1.696 0.000 -0.299 0.000 3/20160 530.0 1.312 1.973 1.664 0.000 -0.293 0.000 3/20160 540.0 1.287 1.935 1.633 0.000 -0.287 0.000 3/20160 550.0 1.263 1.899 1.603 0.000 -0.282 0.000 3/20160 560.0 1.240 1.865 1.574 0.000 -0.277 0.000 3/20160 570.0 1.218 1.832 1.546 0.000 -0.272 0.000 3/20160 580.0 1.197 1.799 1.519 0.000 -0.267 0.000 3/20160 590.0 1.176 1.768 1.493 0.000 -0.262 0.000 3/20160 600.0 1.156 1.739 1.468 0.000 -0.258 0.000 3/20160 610.0 1.137 1.710 1.444 0.000 -0.254 0.000 3/20160 620.0 1.118 1.682 1.420 0.000 -0.249 0.000 3/20160 630.0 1.100 1.655 1.397 0.000 -0.245 0.000 3/20160 640.0 1.083 1.628 1.375 0.000 -0.241 0.000 3/20160 650.0 1.066 1.603 1.354 0.000 -0.238 0.000 3/20160 660.0 1.049 1.578 1.333 0.000 -0.234 0.000 3/20160 670.0 1.034 1.554 1.313 0.000 -0.230 0.000 3/20160 680.0 1.018 1.531 1.294 0.000 -0.227 0.000 3/20160 690.0 1.003 1.509 1.275 0.000 -0.224 0.000 3/20160 700.0 0.989 1.487 1.257 0.000 -0.220 0.000 3/20160 710.0 0.975 1.466 1.239 0.000 -0.217 0.000 3/20160 720.0 0.961 1.445 1.222 0.000 -0.214 0.000 3/20160 730.0 0.948 1.425 1.205 0.000 -0.211 0.000 3/20160 740.0 0.935 1.406 1.188 0.000 -0.208 0.000 3/20160 750.0 0.922 1.387 1.173 0.000 -0.206 0.000 3/20160 760.0 0.910 1.368 1.157 0.000 -0.203 0.000 3/20160 770.0 0.898 1.351 1.142 0.000 -0.200 0.000 3/20160 780.0 0.886 1.333 1.127 0.000 -0.198 0.000 3/20160 790.0 0.875 1.316 1.113 0.000 -0.195 0.000 3/20160 800.0 0.864 1.299 1.099 0.000 -0.193 0.000 3/20160 810.0 0.853 1.283 1.085 0.000 -0.190 0.000 3/20160 820.0 0.843 1.268 1.072 0.000 -0.188 0.000 3/20160 830.0 0.832 1.252 1.059 0.000 -0.185 0.000 3/20160 840.0 0.822 1.237 1.046 0.000 -0.183 0.000 3/20160 850.0 0.813 1.222 1.034 0.000 -0.181 0.000 3/20160 860.0 0.803 1.208 1.022 0.000 -0.179 0.000 3/20160 870.0 0.794 1.194 1.010 0.000 -0.177 0.000 3/20160 880.0 0.785 1.180 0.999 0.000 -0.175 0.000 3/20160 890.0 0.776 1.167 0.987 0.000 -0.173 0.000 3/20160 900.0 0.767 1.154 0.976 0.000 -0.171 0.000 3/20160 910.0 0.759 1.141 0.966 0.000 -0.169 0.000 3/20160 920.0 0.750 1.129 0.955 0.000 -0.167 0.000 3/20160 930.0 0.742 1.117 0.945 0.000 -0.165 0.000 3/20160 940.0 0.734 1.105 0.935 0.000 -0.164 0.000 3/20160 950.0 0.727 1.093 0.925 0.000 -0.162 0.000 3/20160 960.0 0.719 1.082 0.915 0.000 -0.160 0.000 3/20160 970.0 0.711 1.070 0.906 0.000 -0.158 0.000 3/20160 980.0 0.704 1.059 0.896 0.000 -0.157 0.000 3/20160 990.0 0.697 1.049 0.887 0.000 -0.155 0.000 3/20160 1000.0 0.690 1.038 0.879 0.000 -0.154 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:03:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|