----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:04:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 5.407759921435626 0.000000000000000 0.000000000000000 b 0.000000000000000 5.715201449999999 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 *3 O 0.73485261585731 0.71330916878139 0.54752950269604 15.999 4 O 0.26514738414269 0.21330916878139 0.95247049730396 15.999 *5 O 0.33900606176104 0.98046837352180 0.25295075970967 15.999 6 O 0.66099393823896 0.48046837352180 0.24704924029033 15.999 7 O 0.26514738414269 0.28669083121861 0.45247049730396 15.999 8 O 0.73485261585731 0.78669083121861 0.04752950269604 15.999 *9 O 0.16095457863167 0.69384155877599 0.95712687856189 15.999 10 O 0.83904542136833 0.19384155877599 0.54287312143811 15.999 11 O 0.83904542136833 0.30615844122401 0.04287312143812 15.999 12 O 0.16095457863167 0.80615844122401 0.45712687856188 15.999 13 O 0.33900606176104 0.51953162647820 0.75295075970967 15.999 14 O 0.66099393823896 0.01953162647820 0.74704924029033 15.999 *15 Pr 0.23198079842043 0.56794784726408 0.24814028859284 140.908 16 Pr 0.76801920157957 0.06794784726408 0.25185971140716 140.908 17 Pr 0.76801920157957 0.43205215273592 0.75185971140716 140.908 18 Pr 0.23198079842043 0.93205215273592 0.74814028859284 140.908 *19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.407759921435626 0.000000000000000 0.000000000000000 b 0.000000000000000 5.715201449999999 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *3 O 0.73485261585731 0.71330916878139 0.54752950269604 15.999 > 3 4 O 0.26514738414269 0.21330916878139 0.95247049730396 15.999 > 4 *5 O 0.33900606176104 0.98046837352180 0.25295075970967 15.999 > 5 6 O 0.66099393823896 0.48046837352180 0.24704924029033 15.999 > 6 7 O 0.26514738414269 0.28669083121861 0.45247049730396 15.999 > 7 8 O 0.73485261585731 0.78669083121861 0.04752950269604 15.999 > 8 *9 O 0.16095457863167 0.69384155877599 0.95712687856189 15.999 > 9 10 O 0.83904542136833 0.19384155877599 0.54287312143811 15.999 > 10 11 O 0.83904542136833 0.30615844122401 0.04287312143812 15.999 > 11 12 O 0.16095457863167 0.80615844122401 0.45712687856188 15.999 > 12 13 O 0.33900606176104 0.51953162647820 0.75295075970967 15.999 > 13 14 O 0.66099393823896 0.01953162647820 0.74704924029033 15.999 > 14 *15 Pr 0.23198079842043 0.56794784726408 0.24814028859284 140.908 > 15 16 Pr 0.76801920157957 0.06794784726408 0.25185971140716 140.908 > 16 17 Pr 0.76801920157957 0.43205215273592 0.75185971140716 140.908 > 17 18 Pr 0.23198079842043 0.93205215273592 0.74814028859284 140.908 > 18 *19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 > 19 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.815519842871252 0.000000000000000 0.000000000000000 b 0.000000000000000 11.430402899999997 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 2 6 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 2 7 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 2 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 2 *9 O 0.36742630792866 0.35665458439069 0.54752950269604 15.999 > 3 10 O 0.86742630792866 0.35665458439069 0.54752950269604 15.999 > 3 11 O 0.36742630792866 0.85665458439069 0.54752950269604 15.999 > 3 12 O 0.86742630792866 0.85665458439069 0.54752950269604 15.999 > 3 13 O 0.13257369207134 0.10665458439069 0.95247049730396 15.999 > 4 14 O 0.63257369207134 0.10665458439069 0.95247049730396 15.999 > 4 15 O 0.13257369207134 0.60665458439069 0.95247049730396 15.999 > 4 16 O 0.63257369207134 0.60665458439069 0.95247049730396 15.999 > 4 *17 O 0.16950303088052 0.49023418676090 0.25295075970967 15.999 > 5 18 O 0.66950303088052 0.49023418676090 0.25295075970967 15.999 > 5 19 O 0.16950303088052 0.99023418676090 0.25295075970967 15.999 > 5 20 O 0.66950303088052 0.99023418676090 0.25295075970967 15.999 > 5 21 O 0.33049696911948 0.24023418676090 0.24704924029033 15.999 > 6 22 O 0.83049696911948 0.24023418676090 0.24704924029033 15.999 > 6 23 O 0.33049696911948 0.74023418676090 0.24704924029033 15.999 > 6 24 O 0.83049696911948 0.74023418676090 0.24704924029033 15.999 > 6 25 O 0.13257369207134 0.14334541560931 0.45247049730396 15.999 > 7 26 O 0.63257369207134 0.14334541560931 0.45247049730396 15.999 > 7 27 O 0.13257369207134 0.64334541560931 0.45247049730396 15.999 > 7 28 O 0.63257369207134 0.64334541560931 0.45247049730396 15.999 > 7 29 O 0.36742630792866 0.39334541560931 0.04752950269604 15.999 > 8 30 O 0.86742630792866 0.39334541560931 0.04752950269604 15.999 > 8 31 O 0.36742630792866 0.89334541560931 0.04752950269604 15.999 > 8 32 O 0.86742630792866 0.89334541560931 0.04752950269604 15.999 > 8 *33 O 0.08047728931583 0.34692077938800 0.95712687856189 15.999 > 9 34 O 0.58047728931583 0.34692077938800 0.95712687856189 15.999 > 9 35 O 0.08047728931583 0.84692077938800 0.95712687856189 15.999 > 9 36 O 0.58047728931583 0.84692077938800 0.95712687856189 15.999 > 9 37 O 0.41952271068417 0.09692077938800 0.54287312143811 15.999 > 10 38 O 0.91952271068417 0.09692077938800 0.54287312143811 15.999 > 10 39 O 0.41952271068417 0.59692077938800 0.54287312143811 15.999 > 10 40 O 0.91952271068417 0.59692077938800 0.54287312143811 15.999 > 10 41 O 0.41952271068417 0.15307922061200 0.04287312143812 15.999 > 11 42 O 0.91952271068417 0.15307922061200 0.04287312143812 15.999 > 11 43 O 0.41952271068417 0.65307922061200 0.04287312143812 15.999 > 11 44 O 0.91952271068417 0.65307922061200 0.04287312143812 15.999 > 11 45 O 0.08047728931583 0.40307922061200 0.45712687856188 15.999 > 12 46 O 0.58047728931583 0.40307922061200 0.45712687856188 15.999 > 12 47 O 0.08047728931583 0.90307922061200 0.45712687856188 15.999 > 12 48 O 0.58047728931583 0.90307922061200 0.45712687856188 15.999 > 12 49 O 0.16950303088052 0.25976581323910 0.75295075970967 15.999 > 13 50 O 0.66950303088052 0.25976581323910 0.75295075970967 15.999 > 13 51 O 0.16950303088052 0.75976581323910 0.75295075970967 15.999 > 13 52 O 0.66950303088052 0.75976581323910 0.75295075970967 15.999 > 13 53 O 0.33049696911948 0.00976581323910 0.74704924029033 15.999 > 14 54 O 0.83049696911948 0.00976581323910 0.74704924029033 15.999 > 14 55 O 0.33049696911948 0.50976581323910 0.74704924029033 15.999 > 14 56 O 0.83049696911948 0.50976581323910 0.74704924029033 15.999 > 14 *57 Pr 0.11599039921022 0.28397392363204 0.24814028859284 140.908 > 15 58 Pr 0.61599039921022 0.28397392363204 0.24814028859284 140.908 > 15 59 Pr 0.11599039921022 0.78397392363204 0.24814028859284 140.908 > 15 60 Pr 0.61599039921022 0.78397392363204 0.24814028859284 140.908 > 15 61 Pr 0.38400960078979 0.03397392363204 0.25185971140716 140.908 > 16 62 Pr 0.88400960078979 0.03397392363204 0.25185971140716 140.908 > 16 63 Pr 0.38400960078979 0.53397392363204 0.25185971140716 140.908 > 16 64 Pr 0.88400960078979 0.53397392363204 0.25185971140716 140.908 > 16 65 Pr 0.38400960078979 0.21602607636796 0.75185971140716 140.908 > 17 66 Pr 0.88400960078979 0.21602607636796 0.75185971140716 140.908 > 17 67 Pr 0.38400960078979 0.71602607636796 0.75185971140716 140.908 > 17 68 Pr 0.88400960078979 0.71602607636796 0.75185971140716 140.908 > 17 69 Pr 0.11599039921022 0.46602607636796 0.74814028859284 140.908 > 18 70 Pr 0.61599039921022 0.46602607636796 0.74814028859284 140.908 > 18 71 Pr 0.11599039921022 0.96602607636796 0.74814028859284 140.908 > 18 72 Pr 0.61599039921022 0.96602607636796 0.74814028859284 140.908 > 18 *73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 19 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 19 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 19 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 19 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 20 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 20 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 20 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 258.3100785 0.0000000 -46.1020308 0.0000000 1311.6169649 0.0000000 -46.1066964 0.0000000 324.1456246 -------------------------- Born effective charges -------------------------- 1 Li 1.3926059 -0.6023878 -1.0204697 0.0964995 1.1256605 -0.1034721 0.5922514 -0.1423222 1.8385843 2 Li 1.3926059 0.6023878 -1.0204697 -0.0964995 1.1256605 0.1034721 0.5922514 0.1423222 1.8385843 3 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 4 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 5 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 6 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 7 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 8 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 9 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 10 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 11 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 12 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 13 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 14 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 15 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 16 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 17 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 18 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 19 Os 4.5171484 -1.9206203 -4.8802154 -7.0154566 15.1381369 0.5168716 3.1831213 2.8638464 3.4540110 20 Os 4.5171484 1.9206203 -4.8802154 7.0154566 15.1381369 -0.5168716 3.1831213 -2.8638464 3.4540110 ---------------------------------------------------------------------------- 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.224 Solver_block: 200 / 640 - Time: 2.226 Solver_block: 300 / 640 - Time: 2.229 Solver_block: 400 / 640 - Time: 2.245 Solver_block: 500 / 640 - Time: 2.245 Solver_block: 600 / 640 - Time: 2.250 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.433 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:04:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.407759921435626 0.000000000000000 0.000000000000000 b 0.000000000000000 5.715201449999999 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 3 O 0.73485261585731 0.71330916878139 0.54752950269604 15.999 4 O 0.26514738414269 0.21330916878139 0.95247049730396 15.999 5 O 0.33900606176104 0.98046837352180 0.25295075970967 15.999 6 O 0.66099393823896 0.48046837352180 0.24704924029033 15.999 7 O 0.26514738414269 0.28669083121861 0.45247049730396 15.999 8 O 0.73485261585731 0.78669083121861 0.04752950269604 15.999 9 O 0.16095457863167 0.69384155877599 0.95712687856189 15.999 10 O 0.83904542136833 0.19384155877599 0.54287312143811 15.999 11 O 0.83904542136833 0.30615844122401 0.04287312143812 15.999 12 O 0.16095457863167 0.80615844122401 0.45712687856188 15.999 13 O 0.33900606176104 0.51953162647820 0.75295075970967 15.999 14 O 0.66099393823896 0.01953162647820 0.74704924029033 15.999 15 Pr 0.23198079842043 0.56794784726408 0.24814028859284 140.908 16 Pr 0.76801920157957 0.06794784726408 0.25185971140716 140.908 17 Pr 0.76801920157957 0.43205215273592 0.75185971140716 140.908 18 Pr 0.23198079842043 0.93205215273592 0.74814028859284 140.908 19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815519842871252 0.000000000000000 0.000000000000000 b 0.000000000000000 11.430402899999997 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 5 9 O 0.36742630792866 0.35665458439069 0.54752950269604 15.999 > 9 10 O 0.86742630792866 0.35665458439069 0.54752950269604 15.999 > 9 11 O 0.36742630792866 0.85665458439069 0.54752950269604 15.999 > 9 12 O 0.86742630792866 0.85665458439069 0.54752950269604 15.999 > 9 13 O 0.13257369207134 0.10665458439069 0.95247049730396 15.999 > 13 14 O 0.63257369207134 0.10665458439069 0.95247049730396 15.999 > 13 15 O 0.13257369207134 0.60665458439069 0.95247049730396 15.999 > 13 16 O 0.63257369207134 0.60665458439069 0.95247049730396 15.999 > 13 17 O 0.16950303088052 0.49023418676090 0.25295075970967 15.999 > 17 18 O 0.66950303088052 0.49023418676090 0.25295075970967 15.999 > 17 19 O 0.16950303088052 0.99023418676090 0.25295075970967 15.999 > 17 20 O 0.66950303088052 0.99023418676090 0.25295075970967 15.999 > 17 21 O 0.33049696911948 0.24023418676090 0.24704924029033 15.999 > 21 22 O 0.83049696911948 0.24023418676090 0.24704924029033 15.999 > 21 23 O 0.33049696911948 0.74023418676090 0.24704924029033 15.999 > 21 24 O 0.83049696911948 0.74023418676090 0.24704924029033 15.999 > 21 25 O 0.13257369207134 0.14334541560931 0.45247049730396 15.999 > 25 26 O 0.63257369207134 0.14334541560931 0.45247049730396 15.999 > 25 27 O 0.13257369207134 0.64334541560931 0.45247049730396 15.999 > 25 28 O 0.63257369207134 0.64334541560931 0.45247049730396 15.999 > 25 29 O 0.36742630792866 0.39334541560931 0.04752950269604 15.999 > 29 30 O 0.86742630792866 0.39334541560931 0.04752950269604 15.999 > 29 31 O 0.36742630792866 0.89334541560931 0.04752950269604 15.999 > 29 32 O 0.86742630792866 0.89334541560931 0.04752950269604 15.999 > 29 33 O 0.08047728931583 0.34692077938800 0.95712687856189 15.999 > 33 34 O 0.58047728931583 0.34692077938800 0.95712687856189 15.999 > 33 35 O 0.08047728931583 0.84692077938800 0.95712687856189 15.999 > 33 36 O 0.58047728931583 0.84692077938800 0.95712687856189 15.999 > 33 37 O 0.41952271068417 0.09692077938800 0.54287312143811 15.999 > 37 38 O 0.91952271068417 0.09692077938800 0.54287312143811 15.999 > 37 39 O 0.41952271068417 0.59692077938800 0.54287312143811 15.999 > 37 40 O 0.91952271068417 0.59692077938800 0.54287312143811 15.999 > 37 41 O 0.41952271068417 0.15307922061200 0.04287312143812 15.999 > 41 42 O 0.91952271068417 0.15307922061200 0.04287312143812 15.999 > 41 43 O 0.41952271068417 0.65307922061200 0.04287312143812 15.999 > 41 44 O 0.91952271068417 0.65307922061200 0.04287312143812 15.999 > 41 45 O 0.08047728931583 0.40307922061200 0.45712687856188 15.999 > 45 46 O 0.58047728931583 0.40307922061200 0.45712687856188 15.999 > 45 47 O 0.08047728931583 0.90307922061200 0.45712687856188 15.999 > 45 48 O 0.58047728931583 0.90307922061200 0.45712687856188 15.999 > 45 49 O 0.16950303088052 0.25976581323910 0.75295075970967 15.999 > 49 50 O 0.66950303088052 0.25976581323910 0.75295075970967 15.999 > 49 51 O 0.16950303088052 0.75976581323910 0.75295075970967 15.999 > 49 52 O 0.66950303088052 0.75976581323910 0.75295075970967 15.999 > 49 53 O 0.33049696911948 0.00976581323910 0.74704924029033 15.999 > 53 54 O 0.83049696911948 0.00976581323910 0.74704924029033 15.999 > 53 55 O 0.33049696911948 0.50976581323910 0.74704924029033 15.999 > 53 56 O 0.83049696911948 0.50976581323910 0.74704924029033 15.999 > 53 57 Pr 0.11599039921022 0.28397392363204 0.24814028859284 140.908 > 57 58 Pr 0.61599039921022 0.28397392363204 0.24814028859284 140.908 > 57 59 Pr 0.11599039921022 0.78397392363204 0.24814028859284 140.908 > 57 60 Pr 0.61599039921022 0.78397392363204 0.24814028859284 140.908 > 57 61 Pr 0.38400960078979 0.03397392363204 0.25185971140716 140.908 > 61 62 Pr 0.88400960078979 0.03397392363204 0.25185971140716 140.908 > 61 63 Pr 0.38400960078979 0.53397392363204 0.25185971140716 140.908 > 61 64 Pr 0.88400960078979 0.53397392363204 0.25185971140716 140.908 > 61 65 Pr 0.38400960078979 0.21602607636796 0.75185971140716 140.908 > 65 66 Pr 0.88400960078979 0.21602607636796 0.75185971140716 140.908 > 65 67 Pr 0.38400960078979 0.71602607636796 0.75185971140716 140.908 > 65 68 Pr 0.88400960078979 0.71602607636796 0.75185971140716 140.908 > 65 69 Pr 0.11599039921022 0.46602607636796 0.74814028859284 140.908 > 69 70 Pr 0.61599039921022 0.46602607636796 0.74814028859284 140.908 > 69 71 Pr 0.11599039921022 0.96602607636796 0.74814028859284 140.908 > 69 72 Pr 0.61599039921022 0.96602607636796 0.74814028859284 140.908 > 69 73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 73 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 73 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 73 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 77 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 77 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 77 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 258.3100785 0.0000000 -46.1020308 0.0000000 1311.6169649 0.0000000 -46.1066964 0.0000000 324.1456246 -------------------------- Born effective charges -------------------------- 1 Li 1.3926059 -0.6023878 -1.0204697 0.0964995 1.1256605 -0.1034721 0.5922514 -0.1423222 1.8385843 2 Li 1.3926059 0.6023878 -1.0204697 -0.0964995 1.1256605 0.1034721 0.5922514 0.1423222 1.8385843 3 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 4 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 5 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 6 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 7 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 8 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 9 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 10 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 11 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 12 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 13 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 14 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 15 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 16 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 17 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 18 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 19 Os 4.5171484 -1.9206203 -4.8802154 -7.0154566 15.1381369 0.5168716 3.1831213 2.8638464 3.4540110 20 Os 4.5171484 1.9206203 -4.8802154 7.0154566 15.1381369 -0.5168716 3.1831213 -2.8638464 3.4540110 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 9, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 57, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000049 (yx) -0.00000049 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:05:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.407759921435626 0.000000000000000 0.000000000000000 b 0.000000000000000 5.715201449999999 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 3 O 0.73485261585731 0.71330916878139 0.54752950269604 15.999 4 O 0.26514738414269 0.21330916878139 0.95247049730396 15.999 5 O 0.33900606176104 0.98046837352180 0.25295075970967 15.999 6 O 0.66099393823896 0.48046837352180 0.24704924029033 15.999 7 O 0.26514738414269 0.28669083121861 0.45247049730396 15.999 8 O 0.73485261585731 0.78669083121861 0.04752950269604 15.999 9 O 0.16095457863167 0.69384155877599 0.95712687856189 15.999 10 O 0.83904542136833 0.19384155877599 0.54287312143811 15.999 11 O 0.83904542136833 0.30615844122401 0.04287312143812 15.999 12 O 0.16095457863167 0.80615844122401 0.45712687856188 15.999 13 O 0.33900606176104 0.51953162647820 0.75295075970967 15.999 14 O 0.66099393823896 0.01953162647820 0.74704924029033 15.999 15 Pr 0.23198079842043 0.56794784726408 0.24814028859284 140.908 16 Pr 0.76801920157957 0.06794784726408 0.25185971140716 140.908 17 Pr 0.76801920157957 0.43205215273592 0.75185971140716 140.908 18 Pr 0.23198079842043 0.93205215273592 0.74814028859284 140.908 19 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 20 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815519842871252 0.000000000000000 0.000000000000000 b 0.000000000000000 11.430402899999997 0.000000000000000 c -5.332987309693817 0.000000000000000 7.714911925483775 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 5 6 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 5 7 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 5 8 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 5 9 O 0.36742630792866 0.35665458439069 0.54752950269604 15.999 > 9 10 O 0.86742630792866 0.35665458439069 0.54752950269604 15.999 > 9 11 O 0.36742630792866 0.85665458439069 0.54752950269604 15.999 > 9 12 O 0.86742630792866 0.85665458439069 0.54752950269604 15.999 > 9 13 O 0.13257369207134 0.10665458439069 0.95247049730396 15.999 > 13 14 O 0.63257369207134 0.10665458439069 0.95247049730396 15.999 > 13 15 O 0.13257369207134 0.60665458439069 0.95247049730396 15.999 > 13 16 O 0.63257369207134 0.60665458439069 0.95247049730396 15.999 > 13 17 O 0.16950303088052 0.49023418676090 0.25295075970967 15.999 > 17 18 O 0.66950303088052 0.49023418676090 0.25295075970967 15.999 > 17 19 O 0.16950303088052 0.99023418676090 0.25295075970967 15.999 > 17 20 O 0.66950303088052 0.99023418676090 0.25295075970967 15.999 > 17 21 O 0.33049696911948 0.24023418676090 0.24704924029033 15.999 > 21 22 O 0.83049696911948 0.24023418676090 0.24704924029033 15.999 > 21 23 O 0.33049696911948 0.74023418676090 0.24704924029033 15.999 > 21 24 O 0.83049696911948 0.74023418676090 0.24704924029033 15.999 > 21 25 O 0.13257369207134 0.14334541560931 0.45247049730396 15.999 > 25 26 O 0.63257369207134 0.14334541560931 0.45247049730396 15.999 > 25 27 O 0.13257369207134 0.64334541560931 0.45247049730396 15.999 > 25 28 O 0.63257369207134 0.64334541560931 0.45247049730396 15.999 > 25 29 O 0.36742630792866 0.39334541560931 0.04752950269604 15.999 > 29 30 O 0.86742630792866 0.39334541560931 0.04752950269604 15.999 > 29 31 O 0.36742630792866 0.89334541560931 0.04752950269604 15.999 > 29 32 O 0.86742630792866 0.89334541560931 0.04752950269604 15.999 > 29 33 O 0.08047728931583 0.34692077938800 0.95712687856189 15.999 > 33 34 O 0.58047728931583 0.34692077938800 0.95712687856189 15.999 > 33 35 O 0.08047728931583 0.84692077938800 0.95712687856189 15.999 > 33 36 O 0.58047728931583 0.84692077938800 0.95712687856189 15.999 > 33 37 O 0.41952271068417 0.09692077938800 0.54287312143811 15.999 > 37 38 O 0.91952271068417 0.09692077938800 0.54287312143811 15.999 > 37 39 O 0.41952271068417 0.59692077938800 0.54287312143811 15.999 > 37 40 O 0.91952271068417 0.59692077938800 0.54287312143811 15.999 > 37 41 O 0.41952271068417 0.15307922061200 0.04287312143812 15.999 > 41 42 O 0.91952271068417 0.15307922061200 0.04287312143812 15.999 > 41 43 O 0.41952271068417 0.65307922061200 0.04287312143812 15.999 > 41 44 O 0.91952271068417 0.65307922061200 0.04287312143812 15.999 > 41 45 O 0.08047728931583 0.40307922061200 0.45712687856188 15.999 > 45 46 O 0.58047728931583 0.40307922061200 0.45712687856188 15.999 > 45 47 O 0.08047728931583 0.90307922061200 0.45712687856188 15.999 > 45 48 O 0.58047728931583 0.90307922061200 0.45712687856188 15.999 > 45 49 O 0.16950303088052 0.25976581323910 0.75295075970967 15.999 > 49 50 O 0.66950303088052 0.25976581323910 0.75295075970967 15.999 > 49 51 O 0.16950303088052 0.75976581323910 0.75295075970967 15.999 > 49 52 O 0.66950303088052 0.75976581323910 0.75295075970967 15.999 > 49 53 O 0.33049696911948 0.00976581323910 0.74704924029033 15.999 > 53 54 O 0.83049696911948 0.00976581323910 0.74704924029033 15.999 > 53 55 O 0.33049696911948 0.50976581323910 0.74704924029033 15.999 > 53 56 O 0.83049696911948 0.50976581323910 0.74704924029033 15.999 > 53 57 Pr 0.11599039921022 0.28397392363204 0.24814028859284 140.908 > 57 58 Pr 0.61599039921022 0.28397392363204 0.24814028859284 140.908 > 57 59 Pr 0.11599039921022 0.78397392363204 0.24814028859284 140.908 > 57 60 Pr 0.61599039921022 0.78397392363204 0.24814028859284 140.908 > 57 61 Pr 0.38400960078979 0.03397392363204 0.25185971140716 140.908 > 61 62 Pr 0.88400960078979 0.03397392363204 0.25185971140716 140.908 > 61 63 Pr 0.38400960078979 0.53397392363204 0.25185971140716 140.908 > 61 64 Pr 0.88400960078979 0.53397392363204 0.25185971140716 140.908 > 61 65 Pr 0.38400960078979 0.21602607636796 0.75185971140716 140.908 > 65 66 Pr 0.88400960078979 0.21602607636796 0.75185971140716 140.908 > 65 67 Pr 0.38400960078979 0.71602607636796 0.75185971140716 140.908 > 65 68 Pr 0.88400960078979 0.71602607636796 0.75185971140716 140.908 > 65 69 Pr 0.11599039921022 0.46602607636796 0.74814028859284 140.908 > 69 70 Pr 0.61599039921022 0.46602607636796 0.74814028859284 140.908 > 69 71 Pr 0.11599039921022 0.96602607636796 0.74814028859284 140.908 > 69 72 Pr 0.61599039921022 0.96602607636796 0.74814028859284 140.908 > 69 73 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 73 74 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 73 75 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 73 76 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 73 77 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 77 78 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 77 79 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 77 80 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 258.3100785 0.0000000 -46.1020308 0.0000000 1311.6169649 0.0000000 -46.1066964 0.0000000 324.1456246 -------------------------- Born effective charges -------------------------- 1 Li 1.3926059 -0.6023878 -1.0204697 0.0964995 1.1256605 -0.1034721 0.5922514 -0.1423222 1.8385843 2 Li 1.3926059 0.6023878 -1.0204697 -0.0964995 1.1256605 0.1034721 0.5922514 0.1423222 1.8385843 3 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 4 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 5 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 6 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 7 O -3.2713794 -0.8532912 0.0795972 1.6763356 -1.2128280 -5.2212593 -0.6770200 1.3545718 0.0053650 8 O -3.2713794 0.8532912 0.0795972 -1.6763356 -1.2128280 5.2212593 -0.6770200 -1.3545718 0.0053650 9 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 10 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 11 O -2.1399101 0.8909211 0.8280084 -5.5959480 -3.4455498 -2.2867869 -0.3344743 -0.6470952 0.2985431 12 O -2.1399101 -0.8909211 0.8280084 5.5959480 -3.4455498 2.2867869 -0.3344743 0.6470952 0.2985431 13 O -1.2939160 -0.2418296 2.4330307 5.7852200 -5.3103760 -1.5714236 -0.9472377 2.4356580 -3.4035328 14 O -1.2939160 0.2418296 2.4330307 -5.7852200 -5.3103760 1.5714236 -0.9472377 -2.4356580 -3.4035328 15 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 16 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 17 Pr 3.7503284 -0.6251769 -0.3902938 0.9432065 1.8368552 -2.7251957 0.0710457 -0.7191697 0.4533271 18 Pr 3.7503284 0.6251769 -0.3902938 -0.9432065 1.8368552 2.7251957 0.0710457 0.7191697 0.4533271 19 Os 4.5171484 -1.9206203 -4.8802154 -7.0154566 15.1381369 0.5168716 3.1831213 2.8638464 3.4540110 20 Os 4.5171484 1.9206203 -4.8802154 7.0154566 15.1381369 -0.5168716 3.1831213 -2.8638464 3.4540110 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 307, Lambda: 1.75 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 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 2.193 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.266 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 15.651 ( 0.000 0.000 0.000) 0.000 15.888 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 16.899 ( 0.000 0.000 0.000) 0.000 16.910 ( 0.000 0.000 0.000) 0.000 16.945 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 18.174 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 20.755 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 18.062 0.000 6.313) 19.133 0.530 ( 18.995 0.000 18.378) 26.431 1.007 ( 40.771 0.000 24.292) 47.459 2.303 ( 8.846 0.000 3.904) 9.669 2.744 ( -10.062 0.000 2.053) 10.269 2.788 ( -3.521 0.000 -13.472) 13.925 2.888 ( -1.433 0.000 0.878) 1.681 3.245 ( 2.398 0.000 8.578) 8.907 3.745 ( -3.790 0.000 -9.316) 10.057 3.794 ( -8.630 0.000 -1.245) 8.720 3.994 ( -8.298 0.000 -5.500) 9.956 4.120 ( -1.283 0.000 7.997) 8.099 4.223 ( 3.168 0.000 -0.753) 3.256 4.288 ( 2.424 0.000 -8.290) 8.637 4.446 ( -1.787 0.000 0.950) 2.024 4.556 ( 1.798 0.000 5.133) 5.438 4.951 ( -1.568 0.000 0.373) 1.612 5.064 ( -2.661 0.000 -1.023) 2.851 6.617 ( -0.237 0.000 -0.452) 0.510 6.817 ( -4.946 0.000 1.368) 5.132 7.240 ( -2.499 0.000 -1.190) 2.768 7.777 ( -5.706 0.000 -3.971) 6.952 8.341 ( -4.756 0.000 -5.405) 7.199 8.484 ( -2.296 0.000 1.004) 2.506 8.527 ( -0.576 0.000 2.948) 3.004 8.971 ( 12.565 0.000 1.684) 12.678 9.059 ( 2.973 0.000 -4.277) 5.209 9.138 ( 7.417 0.000 0.790) 7.459 9.260 ( 12.491 0.000 8.982) 15.386 9.281 ( -0.242 0.000 -1.725) 1.742 9.695 ( -3.473 0.000 3.711) 5.083 10.050 ( -1.392 0.000 -0.657) 1.540 10.090 ( -7.336 0.000 -0.933) 7.395 10.193 ( 7.271 0.000 -5.964) 9.404 10.306 ( -2.000 0.000 4.923) 5.314 10.358 ( 1.681 0.000 0.956) 1.933 10.527 ( 1.507 0.000 -4.339) 4.593 10.629 ( 1.066 0.000 2.979) 3.164 11.065 ( 1.971 0.000 2.400) 3.105 11.465 ( 3.409 0.000 -0.930) 3.533 11.754 ( -2.731 0.000 -2.577) 3.755 11.920 ( -7.636 0.000 0.446) 7.649 11.978 ( -0.482 0.000 5.293) 5.315 12.391 ( 7.551 0.000 1.649) 7.729 12.867 ( -0.229 0.000 -4.795) 4.801 12.960 ( -0.361 0.000 1.897) 1.931 13.272 ( 0.648 0.000 0.907) 1.115 13.749 ( -1.247 0.000 -2.993) 3.243 14.531 ( 8.647 0.000 1.996) 8.874 15.691 ( 2.694 0.000 2.857) 3.927 15.874 ( -0.876 0.000 -0.938) 1.284 16.486 ( -4.512 0.000 1.079) 4.639 16.877 ( -3.600 0.000 0.054) 3.601 16.920 ( -3.703 0.000 0.146) 3.706 16.931 ( 0.999 0.000 -0.938) 1.370 17.139 ( 2.892 0.000 -8.682) 9.151 17.536 ( 1.176 0.000 -0.701) 1.369 17.962 ( 5.104 0.000 -23.551) 24.097 18.587 ( 0.964 0.000 28.904) 28.920 20.679 ( -5.817 0.000 -4.387) 7.286 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 18.138 0.000 7.442) 19.605 1.068 ( 19.569 0.000 18.383) 26.849 1.887 ( 32.763 0.000 18.020) 37.391 2.410 ( -1.486 0.000 -7.867) 8.006 2.571 ( -3.144 0.000 -13.074) 13.446 2.685 ( -2.666 0.000 15.988) 16.209 2.871 ( -2.733 0.000 3.553) 4.482 3.316 ( -4.980 0.000 2.748) 5.688 3.546 ( -4.912 0.000 -11.557) 12.557 3.577 ( -10.565 0.000 -2.910) 10.958 3.800 ( -9.459 0.000 -0.266) 9.462 4.145 ( -3.659 0.000 -2.744) 4.573 4.248 ( 1.107 0.000 1.862) 2.166 4.262 ( 3.062 0.000 -1.181) 3.282 4.423 ( -2.529 0.000 1.901) 3.164 4.633 ( 2.550 0.000 -0.314) 2.569 4.930 ( -1.561 0.000 1.082) 1.900 5.006 ( -3.028 0.000 1.001) 3.189 6.587 ( -1.547 0.000 -2.660) 3.077 6.738 ( -5.922 0.000 1.794) 6.188 7.174 ( -3.208 0.000 -1.323) 3.471 7.635 ( -4.719 0.000 -4.455) 6.490 8.256 ( -0.733 0.000 -0.199) 0.759 8.467 ( -3.193 0.000 4.053) 5.160 8.556 ( 0.555 0.000 2.130) 2.201 9.041 ( 1.935 0.000 -3.159) 3.704 9.217 ( 0.260 0.000 -1.725) 1.744 9.223 ( 14.933 0.000 -3.806) 15.411 9.275 ( 3.045 0.000 -0.261) 3.056 9.633 ( 16.501 0.000 8.891) 18.744 9.656 ( -6.344 0.000 4.475) 7.764 10.007 ( -3.329 0.000 3.933) 5.153 10.010 ( -3.583 0.000 0.458) 3.612 10.147 ( -3.838 0.000 -4.588) 5.981 10.353 ( -0.590 0.000 -1.477) 1.590 10.368 ( 3.657 0.000 -1.875) 4.110 10.557 ( 6.859 0.000 -0.048) 6.859 10.710 ( 1.710 0.000 5.863) 6.107 11.163 ( 4.454 0.000 3.286) 5.535 11.546 ( 5.799 0.000 3.205) 6.625 11.590 ( -8.521 0.000 -4.910) 9.835 11.894 ( -1.120 0.000 3.307) 3.491 12.021 ( -2.796 0.000 5.777) 6.418 12.476 ( 2.103 0.000 -1.903) 2.836 12.814 ( 2.365 0.000 -5.865) 6.324 12.980 ( 0.855 0.000 0.813) 1.180 13.311 ( 2.683 0.000 1.042) 2.878 13.666 ( -2.379 0.000 -5.882) 6.345 14.765 ( 14.513 0.000 3.815) 15.006 15.802 ( 5.138 0.000 4.507) 6.834 15.849 ( 0.350 0.000 -1.862) 1.894 16.418 ( -5.767 0.000 2.670) 6.355 16.785 ( -7.244 0.000 -0.331) 7.252 16.812 ( -7.556 0.000 -2.028) 7.824 16.929 ( -0.184 0.000 -1.316) 1.328 17.034 ( 1.559 0.000 -15.914) 15.990 17.578 ( 4.352 0.000 1.060) 4.479 17.866 ( 8.987 0.000 -13.837) 16.499 18.934 ( 1.938 0.000 25.752) 25.824 20.469 ( -10.228 0.000 -7.872) 12.907 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 16.221 0.000 7.617) 17.920 1.611 ( 19.781 0.000 17.759) 26.583 2.229 ( -6.672 0.000 -4.101) 7.831 2.361 ( 3.425 0.000 -8.241) 8.925 2.478 ( 11.151 0.000 1.486) 11.250 2.742 ( -5.286 0.000 1.945) 5.632 2.997 ( 0.025 0.000 16.730) 16.730 3.110 ( -14.536 0.000 -0.706) 14.553 3.331 ( -2.842 0.000 -11.605) 11.948 3.496 ( -2.839 0.000 3.898) 4.822 3.674 ( -5.373 0.000 0.855) 5.441 3.962 ( -7.514 0.000 -10.546) 12.949 4.318 ( 5.452 0.000 -0.551) 5.480 4.326 ( 0.080 0.000 7.081) 7.081 4.417 ( -1.979 0.000 3.695) 4.192 4.607 ( -0.215 0.000 -6.568) 6.571 4.938 ( 0.129 0.000 2.750) 2.753 5.013 ( 0.194 0.000 3.813) 3.818 6.507 ( -2.434 0.000 -4.681) 5.276 6.672 ( -4.158 0.000 1.385) 4.382 7.109 ( -2.500 0.000 -1.497) 2.914 7.525 ( -2.615 0.000 -3.503) 4.372 8.308 ( 1.826 0.000 6.481) 6.734 8.469 ( -3.047 0.000 5.252) 6.072 8.592 ( 2.124 0.000 -0.215) 2.135 9.050 ( 3.147 0.000 -2.266) 3.878 9.174 ( -0.248 0.000 -3.295) 3.304 9.295 ( -1.804 0.000 -4.998) 5.314 9.303 ( -1.716 0.000 1.787) 2.478 9.639 ( 0.556 0.000 0.037) 0.557 9.924 ( -5.710 0.000 1.218) 5.838 9.937 ( 8.175 0.000 3.028) 8.718 10.047 ( -2.193 0.000 -2.229) 3.127 10.096 ( 5.796 0.000 8.110) 9.968 10.359 ( 3.640 0.000 0.524) 3.677 10.383 ( 5.020 0.000 -5.973) 7.802 10.698 ( 6.822 0.000 1.203) 6.928 10.797 ( -0.742 0.000 6.534) 6.576 11.228 ( 0.473 0.000 0.081) 0.480 11.419 ( -4.466 0.000 -3.993) 5.990 11.769 ( 10.823 0.000 9.509) 14.407 11.885 ( -3.820 0.000 0.508) 3.853 12.005 ( -5.222 0.000 3.329) 6.193 12.460 ( 1.071 0.000 -2.281) 2.520 12.807 ( 3.284 0.000 -4.813) 5.827 13.013 ( 0.934 0.000 2.774) 2.927 13.373 ( 3.741 0.000 -0.507) 3.775 13.535 ( -3.373 0.000 -8.264) 8.926 15.088 ( 17.374 0.000 4.933) 18.061 15.855 ( 3.494 0.000 -2.403) 4.241 15.952 ( 6.291 0.000 4.069) 7.493 16.357 ( -6.530 0.000 4.623) 8.001 16.625 ( -10.573 0.000 -1.351) 10.659 16.640 ( -7.254 0.000 -4.977) 8.798 16.843 ( -1.357 0.000 -15.968) 16.025 16.885 ( -2.571 0.000 -2.300) 3.450 17.723 ( 8.775 0.000 4.725) 9.966 17.904 ( 8.681 0.000 -7.019) 11.164 19.236 ( 2.003 0.000 19.953) 20.053 20.173 ( -12.119 0.000 -9.638) 15.484 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 11.741 0.000 6.489) 13.415 2.070 ( 7.625 0.000 7.318) 10.568 2.216 ( 11.184 0.000 8.877) 14.279 2.278 ( 1.115 0.000 -7.395) 7.478 2.536 ( 0.403 0.000 -7.622) 7.633 2.657 ( -5.818 0.000 2.276) 6.248 2.938 ( -8.506 0.000 5.939) 10.374 2.970 ( -10.813 0.000 -2.829) 11.177 3.338 ( 4.678 0.000 6.080) 7.671 3.418 ( -9.086 0.000 -1.596) 9.226 3.658 ( -11.985 0.000 -13.436) 18.004 3.703 ( 3.566 0.000 3.871) 5.263 4.382 ( -1.127 0.000 2.655) 2.884 4.437 ( 4.192 0.000 3.077) 5.200 4.443 ( 2.713 0.000 2.618) 3.770 4.530 ( 0.192 0.000 -4.089) 4.094 4.992 ( 1.450 0.000 3.434) 3.728 5.071 ( 1.476 0.000 2.698) 3.075 6.415 ( -1.848 0.000 -4.186) 4.576 6.624 ( -2.907 0.000 0.401) 2.935 7.059 ( -1.214 0.000 -1.548) 1.967 7.474 ( 0.389 0.000 -2.001) 2.039 8.435 ( 0.345 0.000 10.847) 10.852 8.485 ( -1.714 0.000 4.381) 4.705 8.616 ( 3.665 0.000 -4.342) 5.682 9.076 ( -0.739 0.000 -2.095) 2.222 9.148 ( -5.768 0.000 -0.059) 5.768 9.152 ( -0.065 0.000 -0.055) 0.085 9.276 ( -2.236 0.000 0.432) 2.278 9.546 ( -4.229 0.000 -8.763) 9.730 9.951 ( 2.362 0.000 4.435) 5.025 10.004 ( -2.169 0.000 0.583) 2.246 10.007 ( 1.007 0.000 -0.277) 1.045 10.278 ( 5.496 0.000 3.287) 6.404 10.422 ( 7.888 0.000 -5.553) 9.647 10.494 ( 6.089 0.000 4.213) 7.404 10.782 ( 2.667 0.000 -1.216) 2.931 10.827 ( -2.876 0.000 5.351) 6.075 11.214 ( -1.912 0.000 1.473) 2.414 11.381 ( 3.469 0.000 -0.750) 3.549 11.779 ( -6.127 0.000 -2.827) 6.748 11.912 ( -3.887 0.000 -1.448) 4.148 12.071 ( 7.691 0.000 8.508) 11.469 12.488 ( 2.010 0.000 1.766) 2.676 12.794 ( 1.806 0.000 -4.944) 5.264 13.090 ( 1.815 0.000 6.792) 7.030 13.374 ( -3.529 0.000 -8.378) 9.091 13.406 ( 2.330 0.000 -3.248) 3.997 15.447 ( 18.078 0.000 4.922) 18.736 15.911 ( 6.336 0.000 -2.396) 6.774 16.094 ( 5.578 0.000 2.606) 6.156 16.304 ( -7.371 0.000 6.147) 9.598 16.401 ( -13.224 0.000 -2.529) 13.464 16.478 ( -4.578 0.000 -4.790) 6.626 16.639 ( -2.568 0.000 -12.619) 12.878 16.799 ( -3.875 0.000 -2.301) 4.507 17.955 ( 9.771 0.000 6.432) 11.698 17.968 ( 5.685 0.000 -3.377) 6.612 19.455 ( 1.416 0.000 12.561) 12.640 19.866 ( -10.650 0.000 -8.794) 13.812 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.550 0.000 3.691) 6.665 2.182 ( 3.625 0.000 2.639) 4.484 2.230 ( 0.472 0.000 -2.705) 2.746 2.412 ( -3.291 0.000 -5.371) 6.299 2.474 ( 1.646 0.000 0.857) 1.856 2.716 ( -1.666 0.000 0.944) 1.915 2.827 ( 7.685 0.000 10.982) 13.404 2.991 ( 3.978 0.000 8.487) 9.373 3.207 ( -9.430 0.000 -6.344) 11.365 3.256 ( -15.096 0.000 -15.623) 21.725 3.456 ( 1.272 0.000 3.679) 3.893 3.781 ( 1.387 0.000 1.372) 1.950 4.360 ( -0.670 0.000 -1.268) 1.435 4.473 ( -0.001 0.000 1.825) 1.825 4.526 ( 0.479 0.000 0.336) 0.585 4.564 ( 3.710 0.000 1.224) 3.907 5.045 ( 0.826 0.000 1.612) 1.811 5.112 ( 0.690 0.000 0.876) 1.115 6.359 ( -0.623 0.000 -1.619) 1.735 6.587 ( -1.340 0.000 -0.111) 1.345 7.034 ( -0.272 0.000 -0.683) 0.736 7.479 ( 1.152 0.000 -0.532) 1.269 8.507 ( -0.283 0.000 1.747) 1.770 8.544 ( -2.540 0.000 10.293) 10.602 8.610 ( 4.022 0.000 -7.702) 8.689 8.953 ( -4.776 0.000 -1.213) 4.927 9.155 ( -1.164 0.000 1.830) 2.169 9.183 ( 1.561 0.000 3.381) 3.724 9.259 ( 0.728 0.000 -1.147) 1.359 9.383 ( -2.625 0.000 -6.629) 7.129 9.979 ( 0.145 0.000 -1.082) 1.092 10.009 ( 0.064 0.000 -0.276) 0.283 10.021 ( -0.378 0.000 3.256) 3.278 10.358 ( 1.788 0.000 0.533) 1.866 10.508 ( 5.972 0.000 -1.874) 6.259 10.559 ( -0.659 0.000 0.618) 0.904 10.763 ( -1.594 0.000 -1.544) 2.219 10.873 ( 1.207 0.000 3.220) 3.439 11.217 ( -0.367 0.000 1.723) 1.762 11.484 ( 6.097 0.000 2.289) 6.512 11.641 ( -5.729 0.000 -3.150) 6.538 11.831 ( -2.335 0.000 -1.262) 2.655 12.227 ( 2.909 0.000 2.392) 3.766 12.539 ( 0.630 0.000 2.182) 2.271 12.761 ( 0.510 0.000 -3.140) 3.181 13.215 ( 1.873 0.000 7.265) 7.503 13.253 ( -1.589 0.000 -3.731) 4.055 13.372 ( 0.011 0.000 -5.141) 5.141 15.799 ( 17.344 0.000 4.011) 17.802 15.993 ( 4.842 0.000 -1.449) 5.054 16.117 ( -15.108 0.000 -2.030) 15.244 16.195 ( 2.116 0.000 -0.241) 2.130 16.251 ( -5.065 0.000 3.443) 6.124 16.394 ( -1.834 0.000 -0.314) 1.861 16.490 ( -0.868 0.000 -6.635) 6.691 16.723 ( -2.145 0.000 -1.011) 2.371 18.008 ( 1.935 0.000 -1.006) 2.181 18.147 ( 4.594 0.000 3.286) 5.648 19.570 ( 0.500 0.000 4.282) 4.311 19.652 ( -4.649 0.000 -3.939) 6.093 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 24.486 0.000) 24.486 0.611 ( 0.000 31.495 0.000) 31.495 0.614 ( 0.000 30.956 0.000) 30.956 2.210 ( 0.000 1.012 0.000) 1.012 2.837 ( 0.000 -5.285 0.000) 5.285 2.852 ( 0.000 2.518 0.000) 2.518 3.010 ( 0.000 2.579 0.000) 2.579 3.080 ( 0.000 -3.656 0.000) 3.656 3.784 ( 0.000 -6.549 0.000) 6.549 3.833 ( 0.000 -3.710 0.000) 3.710 4.068 ( 0.000 -7.666 0.000) 7.666 4.109 ( 0.000 1.341 0.000) 1.341 4.109 ( 0.000 -0.347 0.000) 0.347 4.389 ( 0.000 5.326 0.000) 5.326 4.426 ( 0.000 -3.777 0.000) 3.777 4.467 ( 0.000 -1.381 0.000) 1.381 4.949 ( 0.000 -1.229 0.000) 1.229 5.055 ( 0.000 -4.163 0.000) 4.163 6.646 ( 0.000 2.545 0.000) 2.545 6.835 ( 0.000 -1.714 0.000) 1.714 7.234 ( 0.000 -3.287 0.000) 3.287 7.798 ( 0.000 -6.331 0.000) 6.331 8.427 ( 0.000 -3.276 0.000) 3.276 8.443 ( 0.000 -5.795 0.000) 5.795 8.540 ( 0.000 1.522 0.000) 1.522 8.786 ( 0.000 -1.787 0.000) 1.787 9.019 ( 0.000 0.403 0.000) 0.403 9.054 ( 0.000 1.558 0.000) 1.558 9.211 ( 0.000 2.901 0.000) 2.901 9.348 ( 0.000 2.018 0.000) 2.018 9.641 ( 0.000 -5.740 0.000) 5.740 9.997 ( 0.000 -3.385 0.000) 3.385 10.071 ( 0.000 1.012 0.000) 1.012 10.266 ( 0.000 0.085 0.000) 0.085 10.324 ( 0.000 2.425 0.000) 2.425 10.325 ( 0.000 5.265 0.000) 5.265 10.612 ( 0.000 6.006 0.000) 6.006 10.612 ( 0.000 0.537 0.000) 0.537 11.049 ( 0.000 1.134 0.000) 1.134 11.441 ( 0.000 0.017 0.000) 0.017 11.813 ( 0.000 -5.698 0.000) 5.698 11.981 ( 0.000 8.896 0.000) 8.896 12.160 ( 0.000 5.939 0.000) 5.939 12.199 ( 0.000 -6.340 0.000) 6.340 12.898 ( 0.000 -0.544 0.000) 0.544 13.017 ( 0.000 7.453 0.000) 7.453 13.232 ( 0.000 -2.615 0.000) 2.615 13.770 ( 0.000 -0.940 0.000) 0.940 14.544 ( 0.000 10.048 0.000) 10.048 15.619 ( 0.000 -3.117 0.000) 3.117 15.818 ( 0.000 -6.569 0.000) 6.569 16.444 ( 0.000 -6.170 0.000) 6.170 16.854 ( 0.000 -4.972 0.000) 4.972 16.961 ( 0.000 1.292 0.000) 1.292 16.995 ( 0.000 6.695 0.000) 6.695 17.125 ( 0.000 -3.621 0.000) 3.621 17.549 ( 0.000 1.786 0.000) 1.786 18.142 ( 0.000 -3.653 0.000) 3.653 18.406 ( 0.000 10.952 0.000) 10.952 20.691 ( 0.000 -6.467 0.000) 6.467 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 12.459 12.319 14.334) 22.637 0.692 ( 12.294 24.896 -0.211) 27.767 1.216 ( 31.533 18.039 21.949) 42.444 2.314 ( 8.563 0.713 3.550) 9.296 2.718 ( -3.904 -4.721 -10.319) 12.000 2.773 ( -8.934 2.624 0.106) 9.312 2.953 ( -2.895 2.010 -0.522) 3.563 3.207 ( 2.313 -3.201 9.385) 10.182 3.690 ( -4.811 -5.269 -8.150) 10.832 3.774 ( -7.397 -2.874 0.292) 7.941 3.932 ( -7.000 -6.092 -5.571) 10.823 4.123 ( -0.836 0.150 4.056) 4.144 4.186 ( 2.979 -1.387 0.090) 3.287 4.269 ( -3.148 -1.421 -5.275) 6.306 4.473 ( -0.444 0.017 1.120) 1.205 4.528 ( 2.838 -0.780 4.011) 4.975 4.930 ( -2.068 -2.023 0.634) 2.961 5.043 ( -1.074 -2.275 -0.771) 2.632 6.639 ( -0.493 2.064 -0.877) 2.297 6.800 ( -4.761 -1.608 1.253) 5.179 7.206 ( -2.531 -3.094 -0.568) 4.037 7.728 ( -4.608 -4.463 -3.046) 7.101 8.313 ( -5.588 -2.864 -4.939) 7.988 8.428 ( -1.851 -5.094 0.405) 5.435 8.541 ( -0.684 0.645 1.339) 1.636 8.917 ( 12.138 -4.299 0.953) 12.913 9.023 ( 2.353 -0.962 -3.045) 3.966 9.189 ( 6.485 0.562 0.879) 6.568 9.305 ( 10.192 4.138 7.905) 13.545 9.342 ( 1.001 3.274 -1.806) 3.870 9.647 ( -3.450 -5.085 4.970) 7.903 10.035 ( 4.010 -3.310 -1.670) 5.461 10.048 ( -2.397 -2.037 0.631) 3.209 10.195 ( -4.686 6.488 0.558) 8.023 10.293 ( -3.393 0.161 3.469) 4.855 10.412 ( 3.175 2.703 0.476) 4.197 10.570 ( 0.844 4.157 -5.582) 7.011 10.649 ( 0.562 2.097 4.375) 4.885 11.082 ( 2.671 1.859 2.318) 3.995 11.452 ( 2.080 -1.124 -1.234) 2.667 11.850 ( -8.035 -1.417 -2.495) 8.532 11.854 ( 0.181 1.935 1.140) 2.253 12.085 ( -2.397 5.202 1.697) 5.974 12.362 ( 7.985 -1.879 1.590) 8.356 12.873 ( -0.246 0.595 -3.013) 3.081 13.022 ( 0.424 6.790 0.003) 6.803 13.247 ( 1.351 -2.146 0.832) 2.669 13.741 ( -1.370 -0.955 -2.968) 3.405 14.624 ( 7.779 9.368 2.081) 12.353 15.633 ( -0.416 -5.011 2.842) 5.776 15.852 ( 4.010 -3.020 0.039) 5.020 16.393 ( -5.899 -6.736 0.715) 8.982 16.826 ( -2.589 -5.936 -2.342) 6.886 16.895 ( -4.785 0.383 -3.454) 5.914 16.969 ( -0.541 1.575 0.578) 1.763 17.201 ( 7.955 4.382 -3.552) 9.752 17.551 ( 0.915 1.960 -1.449) 2.603 17.966 ( 1.880 0.268 -20.303) 20.391 18.629 ( 0.409 4.632 25.967) 26.380 20.615 ( -6.002 -6.510 -4.211) 9.805 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 14.723 18.063 5.054) 23.844 1.075 ( 16.940 2.211 17.359) 24.356 1.975 ( 28.457 8.052 16.311) 33.774 2.424 ( -0.619 1.135 -8.565) 8.662 2.528 ( -2.431 -3.120 -11.240) 11.915 2.693 ( -3.839 0.724 15.211) 15.704 2.899 ( -3.687 0.875 1.476) 4.066 3.298 ( -4.806 -1.451 4.052) 6.452 3.465 ( -7.488 -6.603 -6.043) 11.670 3.616 ( -6.704 1.460 -5.753) 8.954 3.759 ( -8.585 -4.260 -0.800) 9.617 4.054 ( -5.157 -6.726 -6.407) 10.625 4.230 ( 2.154 -0.598 2.964) 3.712 4.259 ( 1.052 -0.469 2.713) 2.947 4.469 ( -1.478 2.266 1.164) 2.944 4.578 ( 0.861 -4.752 -1.306) 5.003 4.925 ( -0.357 -0.831 2.960) 3.095 5.003 ( -2.362 -0.371 -0.585) 2.462 6.596 ( -2.116 0.922 -2.973) 3.764 6.723 ( -5.885 -1.554 1.803) 6.348 7.154 ( -2.560 -1.747 -0.544) 3.147 7.614 ( -3.628 -1.782 -3.955) 5.655 8.208 ( -2.430 -4.816 -0.376) 5.408 8.406 ( -1.349 -5.156 0.918) 5.408 8.554 ( -0.350 -0.472 2.501) 2.569 9.025 ( 2.221 -0.817 -1.985) 3.089 9.105 ( 8.110 -6.155 -3.686) 10.828 9.275 ( 6.016 0.491 -0.235) 6.040 9.350 ( 1.970 4.843 -1.743) 5.511 9.620 ( -6.651 -3.526 6.114) 9.698 9.651 ( 15.850 1.688 8.018) 17.843 9.992 ( -4.991 0.174 1.602) 5.244 10.068 ( 2.641 -2.243 -3.242) 4.745 10.148 ( -3.866 5.334 0.134) 6.589 10.283 ( -1.555 -1.453 3.812) 4.366 10.449 ( 2.364 3.837 -0.568) 4.542 10.546 ( 3.720 1.299 -3.086) 5.005 10.740 ( 2.427 2.070 6.217) 6.987 11.183 ( 3.639 2.275 3.342) 5.439 11.486 ( 2.285 -4.557 0.887) 5.174 11.631 ( -7.750 3.309 -5.202) 9.903 11.913 ( -2.260 -3.467 4.827) 6.358 12.092 ( 1.287 7.644 1.734) 7.943 12.461 ( 3.710 -0.956 -1.274) 4.038 12.848 ( 2.133 3.415 -3.345) 5.234 13.026 ( 0.063 4.649 -0.043) 4.649 13.297 ( 3.027 -1.251 1.038) 3.436 13.657 ( -2.572 -1.066 -5.783) 6.418 14.839 ( 13.223 7.616 3.862) 15.741 15.665 ( 0.202 -7.549 2.766) 8.043 15.953 ( 7.189 2.984 0.948) 7.841 16.292 ( -7.405 -8.131 2.116) 11.200 16.694 ( -6.299 -7.673 -6.436) 11.831 16.766 ( -3.876 -2.449 -5.861) 7.442 16.990 ( -0.232 3.257 2.509) 4.118 17.221 ( 1.359 14.621 -8.986) 17.216 17.563 ( 4.067 -1.488 -1.182) 4.489 17.842 ( 6.180 -1.697 -11.808) 13.435 18.939 ( 0.729 0.690 24.715) 24.736 20.403 ( -10.589 -6.663 -7.561) 14.618 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 13.213 12.417 6.791) 19.362 1.571 ( 17.847 -2.924 16.928) 24.772 2.194 ( -7.359 -2.882 -7.229) 10.710 2.383 ( 1.630 1.728 -6.001) 6.455 2.476 ( 9.890 0.107 -0.041) 9.891 2.750 ( -5.873 -0.589 0.795) 5.956 2.969 ( 0.288 -2.939 13.579) 13.897 3.109 ( -11.157 0.696 0.888) 11.214 3.392 ( -2.026 4.401 -5.953) 7.675 3.470 ( -4.291 -1.959 1.979) 5.116 3.633 ( -5.248 -4.231 0.253) 6.746 3.867 ( -7.328 -7.905 -7.382) 13.064 4.297 ( 1.999 -1.656 2.042) 3.303 4.327 ( 2.181 -0.536 3.904) 4.504 4.462 ( -1.314 3.483 2.265) 4.358 4.549 ( 0.567 -5.093 -3.773) 6.363 4.950 ( -0.938 0.609 0.368) 1.178 4.994 ( 0.771 -1.742 3.870) 4.313 6.507 ( -2.946 0.052 -4.328) 5.235 6.660 ( -4.146 -1.204 2.112) 4.806 7.108 ( -1.496 0.123 -1.776) 2.325 7.522 ( -1.835 -0.285 -3.611) 4.061 8.216 ( -1.406 -8.636 5.923) 10.566 8.413 ( 1.807 -4.910 -0.089) 5.233 8.584 ( 0.128 -1.156 2.696) 2.936 9.042 ( 1.950 -0.701 -1.208) 2.399 9.139 ( 3.120 -2.852 -3.294) 5.359 9.315 ( -2.266 0.584 0.256) 2.354 9.323 ( -4.657 2.124 -2.266) 5.598 9.621 ( 2.050 -2.101 1.476) 3.286 9.908 ( -4.806 0.400 0.825) 4.893 9.972 ( 9.246 0.584 4.124) 10.140 10.036 ( -2.394 0.075 -2.116) 3.196 10.123 ( 2.250 1.624 2.822) 3.957 10.328 ( 5.344 -0.039 -1.236) 5.486 10.498 ( 4.281 8.570 0.001) 9.580 10.622 ( 3.562 -4.026 3.280) 6.297 10.860 ( 2.935 3.436 6.217) 7.686 11.212 ( -2.669 -0.309 -0.413) 2.718 11.432 ( -4.368 -1.813 -2.920) 5.558 11.608 ( 1.916 -5.935 1.934) 6.530 11.886 ( -3.123 -6.180 1.759) 7.144 12.175 ( 4.112 14.218 3.990) 15.329 12.492 ( 2.667 2.663 -1.100) 3.926 12.855 ( 2.565 4.831 -3.410) 6.445 13.036 ( 0.320 2.369 2.130) 3.202 13.359 ( 3.314 -1.432 -0.242) 3.619 13.523 ( -3.558 -1.211 -8.111) 8.940 15.139 ( 15.943 5.167 4.705) 17.407 15.704 ( 2.007 -8.644 1.141) 8.947 16.100 ( 8.157 4.977 0.738) 9.584 16.201 ( -7.483 -7.971 3.460) 11.467 16.507 ( -6.033 -7.902 -6.298) 11.769 16.626 ( -3.625 -3.607 -6.848) 8.546 16.950 ( -5.050 10.882 -5.593) 13.236 17.096 ( -3.580 14.896 -3.977) 15.828 17.685 ( 8.712 -4.001 3.112) 10.080 17.867 ( 7.850 -3.129 -6.063) 10.401 19.212 ( 0.742 -2.271 19.615) 19.760 20.104 ( -12.629 -6.978 -9.275) 17.152 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 8.429 6.912 6.374) 12.628 1.963 ( 2.008 -7.853 1.564) 8.255 2.120 ( 11.517 -6.045 8.317) 15.439 2.385 ( 4.714 5.191 -0.567) 7.035 2.483 ( -0.253 -3.917 -8.285) 9.168 2.613 ( -6.647 -4.316 -1.799) 8.127 2.985 ( -10.067 0.245 1.582) 10.193 3.020 ( -5.856 6.542 6.403) 10.867 3.349 ( -6.255 -3.911 -2.554) 7.807 3.374 ( 0.266 0.988 0.666) 1.221 3.593 ( -6.546 -5.090 -6.070) 10.277 3.686 ( -1.725 -2.422 1.365) 3.272 4.325 ( -0.471 -4.737 1.426) 4.969 4.422 ( 3.684 -1.931 1.926) 4.584 4.494 ( 1.612 4.148 3.276) 5.526 4.543 ( 2.327 1.329 -1.369) 3.009 4.954 ( 0.062 -3.543 1.928) 4.034 5.056 ( 1.471 -1.556 2.442) 3.248 6.417 ( -1.944 0.298 -3.390) 3.919 6.627 ( -2.703 0.131 1.691) 3.191 7.062 ( -0.490 0.421 -2.880) 2.951 7.478 ( 0.651 0.443 -2.159) 2.299 8.270 ( -2.346 -12.160 8.263) 14.888 8.456 ( 3.958 -5.327 -2.119) 6.967 8.616 ( 0.223 -0.911 2.083) 2.285 9.060 ( -0.402 -1.898 0.811) 2.102 9.144 ( -2.113 1.190 -2.979) 3.841 9.191 ( -2.452 0.994 0.296) 2.663 9.260 ( -4.116 0.363 1.259) 4.320 9.597 ( -1.875 3.990 -7.407) 8.620 9.893 ( -0.044 -4.807 4.367) 6.495 9.986 ( -1.614 -0.752 -0.629) 1.889 10.034 ( -0.023 1.811 -0.459) 1.869 10.288 ( 7.783 -0.802 3.291) 8.489 10.429 ( 8.796 2.538 -2.522) 9.496 10.576 ( 2.199 6.202 1.489) 6.747 10.709 ( 2.237 -2.168 3.531) 4.709 10.961 ( 0.681 8.409 3.489) 9.130 11.140 ( -2.811 -5.297 0.666) 6.034 11.381 ( -0.097 -2.986 0.446) 3.021 11.572 ( -4.170 -11.722 -2.096) 12.617 11.875 ( -0.769 -3.253 -0.653) 3.406 12.312 ( 5.519 15.966 4.186) 17.404 12.534 ( 1.881 4.217 1.372) 4.818 12.843 ( 1.194 4.855 -4.028) 6.420 13.101 ( 1.692 1.136 6.271) 6.594 13.361 ( -3.628 -1.286 -8.317) 9.165 13.390 ( 1.995 -1.714 -2.591) 3.692 15.464 ( 16.184 1.360 3.751) 16.668 15.771 ( 4.693 -9.487 1.125) 10.644 16.102 ( -9.728 -9.664 3.960) 14.273 16.185 ( 1.653 -1.924 -3.909) 4.660 16.389 ( 0.122 1.451 -4.919) 5.130 16.524 ( -0.809 0.356 -0.986) 1.324 16.738 ( -6.830 13.823 -9.437) 18.077 16.999 ( -6.423 14.310 -0.164) 15.686 17.892 ( 8.329 -5.944 3.285) 10.747 17.944 ( 7.322 -2.757 -0.915) 7.877 19.411 ( 0.481 -4.407 12.514) 13.276 19.792 ( -11.205 -7.488 -8.519) 15.944 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 4.030 2.637 3.994) 6.257 1.924 ( -0.770 -12.622 -1.475) 12.732 2.343 ( -2.930 -5.479 -4.653) 7.762 2.420 ( 3.453 -1.681 5.768) 6.929 2.484 ( 6.289 8.056 -5.104) 11.423 2.645 ( 6.453 -6.561 9.924) 13.534 2.806 ( -5.171 0.116 0.374) 5.186 3.053 ( -8.212 -6.274 -5.428) 11.673 3.110 ( -1.250 3.975 4.409) 6.067 3.329 ( -9.471 2.333 -9.599) 13.685 3.467 ( 1.935 1.120 2.607) 3.435 3.707 ( -0.276 -6.372 0.799) 6.428 4.335 ( 0.291 -2.470 0.391) 2.518 4.470 ( 0.469 -1.484 1.188) 1.957 4.547 ( 0.958 2.026 0.420) 2.280 4.590 ( 2.382 3.385 0.733) 4.203 4.983 ( 0.500 -5.828 1.334) 5.999 5.092 ( 0.557 -1.960 0.730) 2.164 6.369 ( -0.532 1.139 -1.180) 1.724 6.604 ( -1.276 1.486 0.489) 2.019 7.034 ( 0.152 0.102 -1.294) 1.307 7.480 ( 0.950 0.148 -0.710) 1.195 8.323 ( -0.990 -12.668 4.901) 13.619 8.473 ( 1.556 -7.977 -2.757) 8.582 8.635 ( -0.000 -0.574 0.803) 0.987 8.988 ( -3.903 2.434 -0.644) 4.645 9.118 ( -0.623 -1.918 1.442) 2.479 9.201 ( 0.511 -3.491 -0.798) 3.617 9.263 ( 1.075 5.594 3.867) 6.885 9.461 ( -2.455 6.009 -6.603) 9.259 9.938 ( 0.210 -6.857 1.880) 7.113 9.961 ( -0.697 -1.429 -0.239) 1.608 10.028 ( 0.072 1.861 -0.241) 1.878 10.395 ( 2.802 0.851 0.096) 2.930 10.545 ( 4.989 4.674 0.464) 6.852 10.584 ( -0.873 2.919 -0.298) 3.061 10.772 ( 1.063 0.504 1.141) 1.638 10.939 ( -2.190 4.433 -0.703) 4.994 11.180 ( 1.332 -2.465 3.565) 4.534 11.415 ( 1.929 -7.902 1.184) 8.220 11.484 ( -2.942 -9.196 -1.488) 9.769 11.838 ( -0.955 -0.111 -1.545) 1.819 12.409 ( 1.952 13.036 0.972) 13.217 12.580 ( 0.720 4.749 1.961) 5.188 12.813 ( 0.324 4.892 -2.480) 5.495 13.209 ( 0.545 -1.281 4.002) 4.237 13.246 ( -0.482 -0.022 -1.238) 1.329 13.363 ( 0.033 -1.042 -4.362) 4.485 15.739 ( 12.350 -7.302 0.399) 14.353 15.891 ( 4.396 -12.077 2.672) 13.127 15.971 ( -6.803 -4.982 2.050) 8.678 16.098 ( -5.934 -4.366 -2.882) 7.910 16.338 ( 0.270 3.188 -3.599) 4.815 16.531 ( -3.957 11.215 -0.578) 11.907 16.619 ( 4.866 11.948 -1.655) 13.007 16.881 ( -5.805 13.431 -0.529) 14.642 17.965 ( 2.047 -4.303 -0.784) 4.829 18.102 ( 4.749 -4.539 2.816) 7.147 19.515 ( 0.109 -5.563 4.409) 7.099 19.572 ( -4.903 -8.024 -3.963) 10.205 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 23.352 0.000) 23.352 1.191 ( 0.000 28.095 0.000) 28.095 1.223 ( 0.000 31.273 0.000) 31.273 2.223 ( 0.000 -0.190 0.000) 0.190 2.747 ( 0.000 -3.783 0.000) 3.783 2.910 ( 0.000 2.689 0.000) 2.689 3.013 ( 0.000 -2.134 0.000) 2.134 3.035 ( 0.000 -0.152 0.000) 0.152 3.606 ( 0.000 -11.067 0.000) 11.067 3.745 ( 0.000 -5.228 0.000) 5.228 3.866 ( 0.000 -12.049 0.000) 12.049 4.043 ( 0.000 -8.170 0.000) 8.170 4.138 ( 0.000 0.690 0.000) 0.690 4.329 ( 0.000 -4.073 0.000) 4.073 4.463 ( 0.000 0.451 0.000) 0.451 4.503 ( 0.000 6.088 0.000) 6.088 4.922 ( 0.000 -1.361 0.000) 1.361 4.949 ( 0.000 -6.234 0.000) 6.234 6.706 ( 0.000 3.249 0.000) 3.249 6.796 ( 0.000 -2.087 0.000) 2.087 7.170 ( 0.000 -2.604 0.000) 2.604 7.644 ( 0.000 -8.874 0.000) 8.874 8.306 ( 0.000 -7.700 0.000) 7.700 8.334 ( 0.000 -6.096 0.000) 6.096 8.565 ( 0.000 0.842 0.000) 0.842 8.734 ( 0.000 -3.436 0.000) 3.436 9.023 ( 0.000 0.141 0.000) 0.141 9.092 ( 0.000 2.091 0.000) 2.091 9.280 ( 0.000 3.630 0.000) 3.630 9.404 ( 0.000 3.501 0.000) 3.501 9.493 ( 0.000 -8.275 0.000) 8.275 9.926 ( 0.000 -3.991 0.000) 3.991 10.110 ( 0.000 2.382 0.000) 2.382 10.261 ( 0.000 0.193 0.000) 0.193 10.385 ( 0.000 3.964 0.000) 3.964 10.459 ( 0.000 6.041 0.000) 6.041 10.648 ( 0.000 4.332 0.000) 4.332 10.743 ( 0.000 6.748 0.000) 6.748 11.084 ( 0.000 2.500 0.000) 2.500 11.441 ( 0.000 -0.052 0.000) 0.052 11.674 ( 0.000 -7.566 0.000) 7.566 12.043 ( 0.000 -9.252 0.000) 9.252 12.226 ( 0.000 14.549 0.000) 14.549 12.284 ( 0.000 6.794 0.000) 6.794 12.865 ( 0.000 -3.069 0.000) 3.069 13.149 ( 0.000 0.287 0.000) 0.287 13.220 ( 0.000 6.665 0.000) 6.665 13.745 ( 0.000 -1.573 0.000) 1.573 14.819 ( 0.000 17.680 0.000) 17.680 15.541 ( 0.000 -4.473 0.000) 4.473 15.665 ( 0.000 -8.408 0.000) 8.408 16.338 ( 0.000 -3.972 0.000) 3.972 16.707 ( 0.000 -10.168 0.000) 10.168 16.969 ( 0.000 -3.366 0.000) 3.366 17.044 ( 0.000 -2.058 0.000) 2.058 17.102 ( 0.000 3.791 0.000) 3.791 17.603 ( 0.000 3.498 0.000) 3.498 18.049 ( 0.000 -5.578 0.000) 5.578 18.699 ( 0.000 18.462 0.000) 18.462 20.510 ( 0.000 -11.957 0.000) 11.957 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.710 22.352 8.594) 24.008 1.194 ( 10.960 25.605 -6.453) 28.590 1.613 ( 18.967 21.602 19.641) 34.816 2.320 ( 8.009 -0.524 3.298) 8.678 2.636 ( -3.118 -3.260 -10.048) 11.015 2.843 ( -7.849 4.129 -1.216) 8.951 2.960 ( -4.391 -1.175 0.676) 4.595 3.137 ( 2.205 -3.712 8.829) 9.828 3.547 ( -4.614 -9.126 -6.586) 12.164 3.665 ( -7.052 -8.501 -0.866) 11.079 3.763 ( -4.333 -9.720 -4.216) 11.447 4.084 ( -0.291 -5.913 1.983) 6.243 4.180 ( 1.199 -0.100 4.025) 4.201 4.263 ( -4.871 1.665 -3.988) 6.512 4.416 ( 0.134 -3.254 1.036) 3.417 4.555 ( 0.585 1.656 -0.388) 1.799 4.880 ( -2.518 -2.823 1.631) 4.119 4.987 ( 1.493 -3.031 0.102) 3.380 6.687 ( -1.218 2.441 -1.757) 3.245 6.762 ( -4.312 -1.976 0.689) 4.793 7.149 ( -2.210 -2.080 0.535) 3.082 7.619 ( -1.646 -6.411 -1.161) 6.720 8.231 ( -5.972 -5.298 -4.533) 9.180 8.302 ( -0.740 -7.437 -1.007) 7.541 8.554 ( -0.585 0.663 -0.500) 1.016 8.816 ( 8.428 -5.670 0.764) 10.187 8.994 ( 0.961 -1.996 -1.493) 2.671 9.193 ( 3.802 -0.404 0.659) 3.880 9.393 ( 6.418 3.840 5.731) 9.423 9.411 ( 5.908 4.121 -0.252) 7.207 9.517 ( -2.042 -6.635 5.655) 8.953 9.940 ( 1.336 -4.250 0.788) 4.524 10.081 ( -1.763 2.274 -0.855) 3.002 10.284 ( -0.333 1.253 1.759) 2.185 10.347 ( -4.902 6.034 1.617) 7.940 10.469 ( 1.157 3.104 -0.507) 3.351 10.665 ( 2.723 5.636 -3.237) 7.047 10.721 ( -2.153 4.890 2.679) 5.977 11.138 ( 4.430 3.909 2.782) 6.530 11.427 ( -0.698 -1.287 -1.309) 1.964 11.726 ( 0.770 -6.570 4.742) 8.139 11.906 ( -7.308 -2.999 -5.403) 9.571 12.215 ( 0.810 9.332 -4.002) 10.187 12.363 ( 5.954 2.102 0.958) 6.386 12.882 ( 0.586 0.236 2.346) 2.430 13.181 ( 0.657 6.822 0.836) 6.904 13.207 ( 0.898 0.158 -0.448) 1.016 13.715 ( -1.744 -1.706 -2.699) 3.638 14.882 ( 6.063 16.647 1.714) 17.799 15.530 ( -2.700 -4.869 3.648) 6.656 15.743 ( 6.478 -7.758 1.614) 10.236 16.301 ( -3.224 -2.085 -0.650) 3.894 16.677 ( -2.384 -9.629 -3.168) 10.413 16.880 ( -5.311 -2.033 -4.873) 7.489 16.984 ( -1.108 0.118 -1.833) 2.145 17.216 ( 12.166 -3.524 -4.721) 13.517 17.627 ( 1.227 5.489 0.818) 5.684 17.974 ( -1.678 0.289 -8.597) 8.764 18.789 ( -2.090 12.086 16.663) 20.690 20.433 ( -6.457 -11.970 -3.686) 14.091 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.089 11.830 14.399) 19.938 1.363 ( 12.890 21.763 0.016) 25.294 2.150 ( 16.798 8.840 12.282) 22.609 2.427 ( 1.685 -1.099 -9.759) 9.964 2.504 ( 1.003 1.256 -6.223) 6.427 2.710 ( -8.048 0.763 11.414) 13.987 2.877 ( -4.255 -3.207 -2.040) 5.705 3.275 ( -0.768 -1.199 9.465) 9.571 3.296 ( -9.382 -9.827 -6.953) 15.262 3.575 ( -2.818 -6.500 -2.456) 7.498 3.638 ( -7.502 -7.327 -0.424) 10.495 3.965 ( -8.500 -2.543 -7.567) 11.661 4.229 ( 1.826 0.604 2.574) 3.213 4.251 ( 0.409 -0.397 4.531) 4.567 4.448 ( -0.154 -4.047 1.963) 4.501 4.504 ( -2.088 -2.514 -2.962) 4.411 4.899 ( 0.317 -1.506 3.936) 4.226 4.986 ( -0.773 -1.444 -1.133) 1.992 6.619 ( -3.270 1.232 -3.502) 4.947 6.684 ( -5.740 -2.113 1.760) 6.365 7.131 ( -0.655 -0.003 0.732) 0.982 7.572 ( -1.145 -2.626 -3.036) 4.174 8.087 ( -4.788 -6.934 -2.637) 8.829 8.278 ( 0.564 -8.048 -2.423) 8.424 8.544 ( -1.295 -0.122 1.873) 2.280 8.962 ( 5.317 -5.695 1.232) 7.888 9.026 ( 5.579 -2.322 -2.864) 6.687 9.239 ( 2.629 -4.374 0.418) 5.120 9.428 ( -0.387 3.258 0.358) 3.300 9.533 ( -3.699 -4.028 6.366) 8.393 9.700 ( 14.132 3.083 5.848) 15.602 9.981 ( 0.722 -1.219 0.873) 1.664 10.054 ( 0.634 1.238 -1.543) 2.077 10.251 ( -3.799 3.400 -2.027) 5.487 10.284 ( -4.962 1.670 4.774) 7.086 10.500 ( 2.558 2.628 1.063) 3.818 10.645 ( 2.232 7.096 -3.697) 8.307 10.786 ( 2.069 2.742 6.320) 7.193 11.254 ( 2.540 4.994 2.875) 6.297 11.395 ( -1.501 -4.272 -0.751) 4.590 11.681 ( -4.625 1.289 -4.514) 6.590 11.788 ( -5.357 -8.381 1.616) 10.078 12.245 ( 7.946 7.396 -1.054) 10.906 12.457 ( 5.450 0.537 -0.779) 5.532 12.936 ( 1.728 5.141 2.832) 6.119 13.141 ( -2.307 6.595 -1.556) 7.158 13.272 ( 3.278 -1.017 1.223) 3.644 13.626 ( -3.236 -2.064 -5.292) 6.538 15.050 ( 10.229 13.499 2.968) 17.195 15.543 ( -1.568 -4.653 4.149) 6.428 15.875 ( 4.163 -9.252 3.906) 10.871 16.258 ( 1.047 4.029 -1.479) 4.417 16.530 ( -6.961 -9.079 -7.167) 13.501 16.721 ( -2.349 -2.072 -10.678) 11.128 17.009 ( 2.406 -1.654 3.760) 4.761 17.372 ( 12.584 -5.378 -4.775) 14.495 17.606 ( -2.249 10.073 -5.366) 11.633 17.855 ( -1.206 3.935 -4.628) 6.193 18.974 ( -2.790 3.348 20.840) 21.291 20.218 ( -11.506 -12.051 -6.608) 17.924 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 4.356 4.653 15.002) 16.300 1.624 ( 16.075 13.891 3.659) 21.558 2.147 ( -7.896 -1.309 -9.582) 12.485 2.410 ( -2.569 0.627 -1.917) 3.266 2.471 ( 4.155 -1.258 -4.377) 6.165 2.693 ( -6.777 -4.840 -3.166) 8.910 2.887 ( 1.609 -5.149 8.287) 9.889 3.137 ( -3.705 0.590 2.597) 4.563 3.377 ( -4.304 -3.121 7.165) 8.922 3.479 ( -2.975 -2.232 -2.819) 4.667 3.537 ( -3.622 -3.945 0.802) 5.415 3.726 ( -8.894 -4.648 -5.555) 11.470 4.257 ( -2.319 -2.311 0.339) 3.292 4.315 ( 2.747 -0.055 2.126) 3.475 4.442 ( 2.416 -5.275 0.957) 5.881 4.514 ( 0.816 1.441 3.576) 3.941 4.935 ( -2.236 -1.978 -0.562) 3.038 4.965 ( 1.262 -1.209 2.166) 2.783 6.512 ( -3.787 0.578 -3.439) 5.149 6.631 ( -4.109 -1.515 3.576) 5.654 7.126 ( 0.617 1.988 -2.652) 3.372 7.515 ( 0.077 -0.483 -4.338) 4.366 8.022 ( -3.364 -10.250 2.683) 11.116 8.278 ( 4.258 -8.979 -4.390) 10.864 8.555 ( -1.665 -1.207 4.246) 4.718 9.008 ( 0.225 -2.884 0.106) 2.894 9.100 ( 5.522 -1.060 -1.013) 5.713 9.280 ( 0.331 -4.822 -1.143) 4.967 9.372 ( -7.830 2.434 3.311) 8.843 9.562 ( 1.691 -2.568 2.286) 3.831 9.946 ( -4.169 3.157 -0.561) 5.260 9.964 ( 8.674 -0.690 1.485) 8.827 10.050 ( 1.598 1.230 -0.888) 2.203 10.159 ( -2.088 2.027 -1.469) 3.260 10.334 ( 4.968 -0.463 2.740) 5.692 10.581 ( 2.912 0.102 4.323) 5.213 10.677 ( 2.738 8.346 1.303) 8.880 10.912 ( 3.665 2.151 6.538) 7.798 11.241 ( -3.860 2.627 -1.282) 4.842 11.318 ( -7.107 -6.355 -0.219) 9.536 11.558 ( -3.169 -2.700 -6.967) 8.117 11.767 ( 0.804 -4.171 3.309) 5.385 12.417 ( 9.337 10.117 2.928) 14.075 12.545 ( 6.099 2.568 -0.661) 6.651 12.981 ( 0.678 7.561 0.476) 7.606 13.098 ( -1.175 3.777 0.606) 4.002 13.322 ( 1.782 -2.115 0.042) 2.766 13.487 ( -4.196 -2.459 -7.490) 8.930 15.275 ( 11.668 7.983 2.927) 14.438 15.562 ( -0.680 -5.712 2.431) 6.245 15.947 ( -2.402 -9.131 6.557) 11.495 16.236 ( -1.120 -2.847 -12.011) 12.394 16.418 ( 3.879 3.515 2.509) 5.805 16.566 ( 0.286 -2.387 -11.785) 12.027 17.103 ( 0.090 3.611 5.157) 6.296 17.418 ( -4.709 17.118 -8.355) 19.622 17.551 ( 9.365 -10.050 -0.859) 13.764 17.835 ( 2.592 1.204 -2.223) 3.620 19.157 ( -2.753 -3.000 18.162) 18.613 19.913 ( -13.968 -12.317 -8.109) 20.312 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.878 4.136 9.846) 10.716 1.862 ( -0.346 -0.901 -5.536) 5.619 2.033 ( 10.892 -0.917 6.628) 12.783 2.389 ( -2.120 -5.104 -8.470) 10.114 2.403 ( -0.909 -5.152 4.728) 7.051 2.561 ( 1.625 0.376 -7.802) 7.978 2.936 ( -6.898 -4.955 5.208) 9.963 3.092 ( -5.762 -2.978 -0.212) 6.490 3.244 ( -9.800 -1.841 -1.170) 10.040 3.448 ( 1.653 3.682 -2.157) 4.576 3.488 ( -5.617 -5.434 -2.637) 8.248 3.617 ( -3.274 -4.090 4.487) 6.898 4.233 ( 0.362 -3.554 1.486) 3.869 4.379 ( 2.341 -1.985 1.047) 3.243 4.533 ( 3.585 -0.189 2.017) 4.118 4.598 ( 3.450 3.298 4.736) 6.724 4.878 ( -2.388 -3.451 -1.138) 4.348 5.015 ( 1.132 -2.485 1.941) 3.351 6.432 ( -2.022 1.328 -1.576) 2.887 6.624 ( -2.431 -0.475 4.095) 4.786 7.083 ( 0.740 1.963 -5.768) 6.137 7.487 ( 1.515 0.231 -3.113) 3.470 8.028 ( -1.729 -11.746 5.649) 13.148 8.300 ( 4.719 -10.038 -6.073) 12.646 8.579 ( -1.728 -2.132 4.206) 5.022 9.005 ( -1.112 -3.660 1.231) 4.018 9.165 ( 1.074 -0.059 0.471) 1.174 9.194 ( -4.488 1.258 -3.822) 6.028 9.306 ( -4.280 2.641 5.432) 7.403 9.625 ( 3.837 -2.418 -2.542) 5.200 9.841 ( -5.469 1.174 -0.791) 5.650 9.973 ( -1.567 -0.802 -1.254) 2.161 10.081 ( 0.258 3.123 -0.134) 3.136 10.250 ( 8.765 -2.143 1.319) 9.119 10.468 ( 7.608 -0.582 0.881) 7.681 10.659 ( 0.263 1.862 3.373) 3.862 10.755 ( 2.778 6.514 2.955) 7.674 11.025 ( -1.148 -3.681 4.410) 5.858 11.140 ( -3.161 5.882 -1.522) 6.848 11.231 ( -4.237 -8.556 4.615) 10.604 11.441 ( -0.092 -2.955 -7.424) 7.991 11.815 ( 0.323 -2.596 1.508) 3.020 12.578 ( 4.712 10.335 0.696) 11.380 12.636 ( 5.706 6.373 0.990) 8.611 12.966 ( -1.093 7.155 -1.693) 7.433 13.131 ( 0.905 1.710 4.614) 5.003 13.326 ( -3.651 -2.280 -7.530) 8.674 13.339 ( 1.063 -3.405 -1.344) 3.812 15.471 ( 7.821 -1.338 0.392) 7.944 15.594 ( 2.041 -8.528 1.979) 8.990 15.951 ( -6.187 -4.788 4.588) 9.069 16.073 ( -1.029 -6.383 -6.308) 9.033 16.445 ( 3.359 2.778 -9.335) 10.302 16.622 ( 10.714 9.197 2.732) 14.382 17.035 ( -8.799 15.242 -3.580) 17.960 17.275 ( -5.995 13.190 -0.016) 14.488 17.730 ( 8.968 -10.578 2.632) 14.116 17.879 ( 5.820 -3.021 -2.160) 6.904 19.293 ( -2.164 -7.334 12.125) 14.335 19.589 ( -12.699 -12.867 -7.522) 19.581 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.833 -5.558 0.721) 6.281 1.819 ( 1.104 2.610 1.561) 3.236 2.242 ( -3.029 -4.503 -4.542) 7.077 2.311 ( 3.533 -7.525 3.916) 9.189 2.495 ( 10.538 -4.988 4.480) 12.491 2.624 ( 10.620 1.453 -1.487) 10.821 2.793 ( -13.720 -1.964 1.406) 13.931 2.880 ( -11.205 -9.232 -7.293) 16.247 3.188 ( 0.090 1.555 5.581) 5.794 3.327 ( -5.199 -2.072 -6.413) 8.512 3.494 ( 3.072 1.178 0.336) 3.308 3.595 ( -3.276 -4.352 1.254) 5.590 4.285 ( 1.324 -1.723 2.185) 3.082 4.414 ( 0.909 -3.292 0.251) 3.425 4.589 ( 1.350 1.771 0.682) 2.329 4.683 ( 1.356 5.284 1.005) 5.547 4.850 ( -0.401 -6.990 0.519) 7.020 5.043 ( 0.409 -2.842 0.630) 2.940 6.405 ( -0.337 2.485 -0.176) 2.514 6.629 ( -1.186 0.650 1.704) 2.176 7.044 ( 0.807 1.177 -2.743) 3.092 7.480 ( 0.649 -0.440 -1.342) 1.554 8.080 ( 0.027 -11.302 4.165) 12.045 8.287 ( 1.501 -10.396 -4.308) 11.353 8.588 ( -0.914 -3.167 1.362) 3.567 8.988 ( -2.507 -3.288 1.510) 4.402 9.100 ( -1.307 -0.134 -2.118) 2.492 9.161 ( -0.471 0.734 -0.157) 0.886 9.378 ( 1.927 5.231 7.273) 9.164 9.569 ( -1.745 3.944 -7.654) 8.785 9.802 ( -0.637 -5.936 1.380) 6.128 9.938 ( -0.812 -0.880 -0.692) 1.383 10.086 ( 0.122 4.247 0.278) 4.258 10.370 ( 3.983 -2.492 -0.273) 4.707 10.586 ( 2.518 -3.382 2.697) 5.005 10.695 ( 3.115 5.202 0.680) 6.101 10.777 ( -2.433 3.905 -1.224) 4.761 10.973 ( -2.795 -1.430 -0.232) 3.148 11.127 ( -1.030 -5.286 1.964) 5.732 11.295 ( 0.694 -1.810 7.447) 7.695 11.374 ( 1.198 -0.624 -6.815) 6.948 11.819 ( -0.322 -1.855 0.016) 1.883 12.591 ( -0.286 6.517 -0.751) 6.566 12.751 ( 3.837 10.850 1.307) 11.582 12.926 ( -1.020 6.101 -1.071) 6.278 13.158 ( -1.744 -3.563 -1.240) 4.156 13.258 ( 0.824 0.816 2.083) 2.384 13.329 ( 0.414 -2.443 -2.504) 3.523 15.560 ( 4.250 -9.643 0.086) 10.538 15.624 ( -1.821 -12.736 -0.083) 12.866 15.890 ( -0.619 -4.565 -1.305) 4.788 16.053 ( -0.955 -2.092 1.701) 2.860 16.450 ( 4.757 9.883 -2.665) 11.287 16.767 ( -1.979 12.455 -0.171) 12.612 16.888 ( 3.373 15.074 -2.154) 15.597 17.165 ( -6.954 14.549 0.840) 16.147 17.847 ( 2.442 -7.711 0.510) 8.104 17.978 ( 4.834 -7.806 0.699) 9.208 19.349 ( -4.956 -12.691 -0.314) 13.628 19.371 ( -1.673 -10.496 1.117) 10.687 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 21.221 0.000) 21.221 1.693 ( 0.000 23.166 0.000) 23.166 1.803 ( 0.000 26.714 0.000) 26.714 2.192 ( 0.000 -2.812 0.000) 2.812 2.688 ( 0.000 -2.231 0.000) 2.231 2.931 ( 0.000 0.044 0.000) 0.044 3.002 ( 0.000 -3.019 0.000) 3.019 3.017 ( 0.000 1.052 0.000) 1.052 3.404 ( 0.000 -8.108 0.000) 8.108 3.615 ( 0.000 -11.633 0.000) 11.633 3.642 ( 0.000 -6.619 0.000) 6.619 3.793 ( 0.000 -15.841 0.000) 15.841 4.138 ( 0.000 -0.262 0.000) 0.262 4.265 ( 0.000 -3.448 0.000) 3.448 4.494 ( 0.000 2.865 0.000) 2.865 4.609 ( 0.000 4.067 0.000) 4.067 4.840 ( 0.000 -4.053 0.000) 4.053 4.899 ( 0.000 -1.164 0.000) 1.164 6.757 ( 0.000 1.640 0.000) 1.640 6.763 ( 0.000 -1.159 0.000) 1.159 7.149 ( 0.000 0.715 0.000) 0.715 7.471 ( 0.000 -8.588 0.000) 8.588 8.168 ( 0.000 -5.944 0.000) 5.944 8.205 ( 0.000 -6.518 0.000) 6.518 8.573 ( 0.000 0.129 0.000) 0.129 8.663 ( 0.000 -3.552 0.000) 3.552 9.031 ( 0.000 0.790 0.000) 0.790 9.120 ( 0.000 0.276 0.000) 0.276 9.336 ( 0.000 1.830 0.000) 1.830 9.364 ( 0.000 -4.128 0.000) 4.128 9.480 ( 0.000 4.445 0.000) 4.445 9.832 ( 0.000 -5.784 0.000) 5.784 10.157 ( 0.000 2.375 0.000) 2.375 10.266 ( 0.000 -0.212 0.000) 0.212 10.469 ( 0.000 4.183 0.000) 4.183 10.525 ( 0.000 1.755 0.000) 1.755 10.786 ( 0.000 8.094 0.000) 8.094 10.856 ( 0.000 4.724 0.000) 4.724 11.149 ( 0.000 4.112 0.000) 4.112 11.429 ( 0.000 -2.159 0.000) 2.159 11.552 ( 0.000 -3.567 0.000) 3.567 11.857 ( 0.000 -9.496 0.000) 9.496 12.414 ( 0.000 7.049 0.000) 7.049 12.517 ( 0.000 14.266 0.000) 14.266 12.784 ( 0.000 -4.994 0.000) 4.994 13.092 ( 0.000 -4.686 0.000) 4.686 13.395 ( 0.000 8.903 0.000) 8.903 13.708 ( 0.000 -2.348 0.000) 2.348 15.201 ( 0.000 20.112 0.000) 20.112 15.470 ( 0.000 -1.568 0.000) 1.568 15.515 ( 0.000 -6.593 0.000) 6.593 16.308 ( 0.000 0.796 0.000) 0.796 16.460 ( 0.000 -14.745 0.000) 14.745 16.810 ( 0.000 -10.613 0.000) 10.613 17.066 ( 0.000 2.205 0.000) 2.205 17.142 ( 0.000 0.609 0.000) 0.609 17.676 ( 0.000 3.908 0.000) 3.908 17.938 ( 0.000 -5.542 0.000) 5.542 19.093 ( 0.000 21.318 0.000) 21.318 20.236 ( 0.000 -16.028 0.000) 16.028 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.424 22.013 5.754) 22.757 1.667 ( 8.135 22.532 -9.530) 25.781 2.019 ( 7.856 18.602 16.527) 26.094 2.288 ( 7.553 -2.245 3.990) 8.833 2.592 ( -2.803 -1.469 -8.502) 9.071 2.891 ( -1.369 -1.122 -6.445) 6.684 2.936 ( -11.138 -0.092 2.970) 11.527 3.056 ( 1.114 -5.064 5.125) 7.290 3.374 ( -3.466 -7.000 -3.473) 8.549 3.466 ( -4.542 -9.739 -4.748) 11.748 3.602 ( -5.329 -6.994 0.838) 8.833 3.890 ( 0.658 -12.980 6.458) 14.513 4.174 ( 1.083 -0.250 4.239) 4.383 4.285 ( 0.955 -1.498 1.124) 2.102 4.397 ( -4.625 2.341 -4.282) 6.724 4.575 ( -3.488 0.017 -3.485) 4.931 4.837 ( -0.426 -0.907 2.879) 3.049 4.937 ( 1.856 -2.062 0.687) 2.857 6.715 ( -2.925 0.101 -1.167) 3.150 6.737 ( -2.746 -0.291 -1.730) 3.258 7.143 ( -1.147 1.702 1.648) 2.632 7.485 ( 0.973 -7.290 0.536) 7.374 8.125 ( -4.469 -5.100 -4.487) 8.131 8.158 ( -1.111 -6.791 -2.502) 7.322 8.569 ( 0.551 0.974 -0.886) 1.427 8.713 ( 5.868 -4.661 0.459) 7.508 8.960 ( -2.831 -1.004 -0.248) 3.014 9.149 ( -1.715 -4.412 0.784) 4.799 9.419 ( 3.058 -1.276 3.951) 5.157 9.443 ( 3.668 1.428 4.735) 6.158 9.522 ( 7.530 5.293 1.598) 9.342 9.855 ( 2.144 -4.797 1.657) 5.509 10.129 ( -1.587 2.670 -1.121) 3.302 10.285 ( 0.302 -1.161 0.343) 1.247 10.455 ( -3.906 4.777 1.075) 6.264 10.527 ( 0.943 2.709 0.114) 2.871 10.783 ( 0.031 5.640 1.179) 5.762 10.814 ( -2.768 4.270 -1.732) 5.375 11.232 ( 6.688 5.548 3.447) 9.349 11.414 ( -2.558 0.226 -0.728) 2.669 11.605 ( 2.059 -5.606 5.012) 7.797 11.785 ( -3.987 -7.798 -5.384) 10.280 12.399 ( -1.598 7.991 -9.992) 12.893 12.423 ( 2.447 3.486 -1.762) 4.609 12.895 ( 3.227 1.625 8.533) 9.266 13.149 ( 3.937 -3.279 2.597) 5.745 13.364 ( -2.745 8.505 -1.053) 8.999 13.675 ( -2.440 -2.521 -2.220) 4.152 15.237 ( 4.474 17.889 -0.791) 18.457 15.472 ( -2.422 0.508 5.711) 6.224 15.585 ( 4.623 -7.652 2.552) 9.297 16.311 ( 1.123 2.325 -0.170) 2.588 16.450 ( 0.056 -13.109 -3.143) 13.481 16.806 ( -1.322 -5.971 -1.382) 6.270 16.982 ( -2.676 -0.202 -6.475) 7.009 17.103 ( 7.033 -6.436 -12.914) 16.052 17.737 ( 1.807 5.484 5.318) 7.850 17.964 ( -0.619 -1.495 3.592) 3.940 19.088 ( -5.166 17.960 6.983) 19.951 20.160 ( -6.962 -15.858 -2.760) 17.538 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -1.180 18.238 9.144) 20.435 1.756 ( 11.658 17.605 -4.931) 21.683 2.285 ( 0.929 3.928 4.172) 5.805 2.425 ( 4.528 2.180 -2.034) 5.422 2.536 ( 6.530 1.020 -1.062) 6.694 2.691 ( -16.940 -4.205 2.160) 17.587 2.792 ( -2.674 -4.258 -6.119) 7.920 3.069 ( -2.491 -11.032 -0.140) 11.310 3.311 ( -1.028 3.777 7.158) 8.158 3.417 ( -1.376 -7.441 -0.283) 7.573 3.491 ( -8.298 -7.338 0.798) 11.106 3.887 ( -5.735 -6.869 -1.438) 9.063 4.241 ( -1.335 0.357 3.590) 3.847 4.267 ( 0.598 2.680 2.063) 3.435 4.379 ( -0.262 -2.871 1.077) 3.078 4.450 ( -2.815 -2.883 -2.232) 4.606 4.878 ( 0.347 -0.423 3.232) 3.278 4.952 ( -0.196 -1.894 -0.638) 2.008 6.638 ( -4.069 0.558 -3.693) 5.524 6.650 ( -5.018 -1.199 1.422) 5.352 7.164 ( 1.293 3.368 1.266) 3.823 7.504 ( 1.554 -4.640 -1.645) 5.163 7.966 ( -5.032 -4.928 -6.222) 9.398 8.108 ( 0.271 -8.709 -4.625) 9.865 8.566 ( -1.697 2.663 1.899) 3.685 8.858 ( 7.823 -4.752 2.792) 9.569 8.965 ( 3.146 -3.579 0.395) 4.781 9.108 ( -3.413 -8.517 1.262) 9.262 9.471 ( -3.628 1.845 4.982) 6.433 9.521 ( 1.831 2.134 3.802) 4.729 9.760 ( 13.051 2.916 2.682) 13.639 9.948 ( 5.706 -2.378 1.675) 6.404 10.090 ( -1.268 2.249 -1.328) 2.904 10.255 ( -2.494 -1.754 -2.064) 3.681 10.360 ( -7.532 5.003 1.592) 9.181 10.548 ( 0.643 1.405 0.266) 1.568 10.771 ( 0.660 5.246 -0.345) 5.299 10.841 ( 2.002 2.539 4.644) 5.658 11.324 ( -4.568 -0.305 -3.156) 5.561 11.389 ( 2.800 6.363 4.471) 8.266 11.611 ( -6.417 -8.786 -4.082) 11.620 11.683 ( 0.204 -1.471 0.710) 1.646 12.366 ( 8.943 4.909 -3.565) 10.807 12.470 ( 6.112 0.445 -2.002) 6.447 13.035 ( 2.180 4.901 7.071) 8.875 13.232 ( 1.999 0.166 -0.092) 2.008 13.293 ( -3.305 5.332 -0.303) 6.280 13.577 ( -4.462 -2.994 -4.418) 6.957 15.317 ( 5.782 11.199 -1.082) 12.650 15.507 ( -2.472 1.880 5.519) 6.333 15.706 ( 3.351 -5.877 6.692) 9.516 16.337 ( -5.452 -10.971 -6.117) 13.693 16.380 ( 8.464 8.122 -3.749) 12.315 16.697 ( -1.921 -0.111 -10.540) 10.715 16.934 ( 3.270 -5.431 0.113) 6.341 17.154 ( 12.703 -14.284 -7.804) 20.647 17.803 ( -0.204 8.625 1.656) 8.784 17.963 ( -3.269 5.192 1.539) 6.326 19.091 ( -7.960 9.185 12.848) 17.686 19.948 ( -12.560 -15.393 -4.853) 20.451 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -2.347 8.416 11.882) 14.749 1.917 ( 12.267 12.190 -3.993) 17.749 2.163 ( -6.240 3.230 -8.177) 10.781 2.351 ( -14.444 -8.243 -1.920) 16.741 2.440 ( -3.087 -0.348 -1.415) 3.413 2.612 ( 0.117 -2.323 -5.769) 6.220 2.794 ( 3.293 -3.616 3.700) 6.132 3.063 ( -1.467 -7.402 0.656) 7.574 3.344 ( -6.109 -4.164 -0.608) 7.418 3.384 ( -3.473 -5.852 3.974) 7.880 3.451 ( -0.332 -0.219 8.825) 8.834 3.701 ( -8.838 -0.587 -5.399) 10.373 4.226 ( -3.592 -0.357 -0.065) 3.610 4.328 ( 0.450 -0.450 1.252) 1.404 4.360 ( 4.224 -1.240 5.026) 6.681 4.517 ( 2.782 -1.202 5.088) 5.922 4.901 ( -1.562 -1.226 0.016) 1.986 4.937 ( 0.239 -1.521 0.823) 1.746 6.530 ( -4.022 1.165 -2.070) 4.671 6.604 ( -3.853 -1.281 3.691) 5.488 7.187 ( 2.031 4.281 -3.582) 5.940 7.492 ( 2.004 -2.355 -4.928) 5.818 7.852 ( -2.683 -6.263 -1.326) 6.941 8.081 ( 4.175 -10.555 -6.000) 12.839 8.561 ( -3.109 2.287 4.462) 5.899 8.952 ( -1.082 -2.765 0.797) 3.074 9.063 ( 5.872 -3.744 2.550) 7.416 9.125 ( 3.459 -9.015 3.104) 10.142 9.429 ( -7.841 3.981 4.431) 9.847 9.561 ( -0.463 1.571 0.935) 1.886 9.950 ( 6.247 -0.242 -1.554) 6.442 10.002 ( -1.247 1.493 -2.020) 2.804 10.078 ( 2.913 1.519 -0.518) 3.326 10.191 ( 0.223 0.491 -2.645) 2.699 10.321 ( -0.522 0.593 5.400) 5.457 10.574 ( 0.577 -1.819 3.779) 4.234 10.810 ( 1.643 5.244 2.203) 5.920 10.942 ( 2.816 0.667 4.788) 5.595 11.196 ( -6.807 -2.720 -1.706) 7.527 11.326 ( -8.326 0.667 -2.523) 8.725 11.505 ( 0.755 0.652 -5.646) 5.733 11.730 ( 1.386 -0.872 3.623) 3.975 12.562 ( 12.311 4.808 2.071) 13.378 12.587 ( 9.359 1.672 -0.633) 9.528 13.120 ( -0.540 6.047 3.776) 7.149 13.177 ( -2.914 4.254 -1.598) 5.398 13.287 ( -0.328 -1.428 -0.061) 1.467 13.429 ( -5.308 -3.540 -6.399) 9.036 15.394 ( 4.333 2.862 -0.789) 5.252 15.492 ( -4.335 -1.627 2.296) 5.169 15.848 ( 2.088 -0.363 8.474) 8.735 16.115 ( -4.600 -6.712 -12.733) 15.111 16.545 ( 7.584 3.297 -6.671) 10.625 16.580 ( 7.727 8.257 -2.931) 11.682 17.076 ( 7.283 -5.860 6.483) 11.376 17.306 ( 11.959 -14.222 -2.955) 18.815 17.728 ( -5.055 13.833 -6.930) 16.277 17.917 ( -3.563 5.933 1.140) 7.014 19.117 ( -8.026 -0.450 14.232) 16.345 19.644 ( -15.581 -14.744 -5.757) 22.210 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -4.373 1.911 11.697) 12.633 1.871 ( -6.560 0.690 -6.539) 9.288 2.116 ( 5.386 4.759 -2.119) 7.493 2.222 ( 2.683 -9.816 -3.058) 10.626 2.336 ( -5.801 -0.037 1.632) 6.026 2.574 ( 3.784 0.290 -6.359) 7.405 2.832 ( -4.091 -4.828 2.505) 6.806 2.947 ( -8.946 -8.682 -4.204) 13.156 3.240 ( -6.056 -1.484 -0.434) 6.250 3.357 ( -3.551 -6.951 1.374) 7.925 3.483 ( -2.280 -0.604 -0.736) 2.471 3.561 ( -3.844 -1.492 1.952) 4.562 4.220 ( 1.423 2.270 3.275) 4.231 4.365 ( 0.853 0.812 1.579) 1.970 4.509 ( 4.817 -1.928 5.106) 7.280 4.621 ( 3.043 -1.180 4.427) 5.500 4.848 ( -2.329 0.499 -1.876) 3.032 4.966 ( 0.602 -2.444 1.665) 3.018 6.468 ( -1.905 2.334 0.247) 3.023 6.605 ( -2.275 -1.536 4.777) 5.510 7.142 ( 1.260 4.093 -7.612) 8.734 7.468 ( 1.757 -2.824 -4.835) 5.869 7.850 ( 0.856 -5.712 3.001) 6.509 8.094 ( 4.890 -10.451 -6.038) 13.023 8.562 ( -2.953 0.861 3.891) 4.960 8.912 ( -3.085 -6.245 0.524) 6.985 9.151 ( 0.487 -0.789 0.185) 0.946 9.229 ( 2.905 1.306 3.229) 4.536 9.340 ( -6.728 1.626 5.418) 8.790 9.564 ( 2.399 -2.521 -1.718) 3.880 9.888 ( -5.773 2.081 -3.837) 7.237 9.949 ( -0.757 -1.594 -2.534) 3.088 10.154 ( 3.442 3.877 0.584) 5.217 10.230 ( 5.074 0.667 0.322) 5.127 10.406 ( 3.022 -4.320 1.919) 5.610 10.662 ( 1.387 -3.150 7.708) 8.441 10.854 ( 1.192 2.683 0.624) 3.001 10.983 ( -3.262 0.791 -0.629) 3.415 11.105 ( -3.661 -2.612 3.911) 5.960 11.202 ( -2.155 -1.518 -1.007) 2.822 11.474 ( 2.800 6.321 -4.584) 8.295 11.771 ( -0.694 -2.187 2.215) 3.189 12.718 ( 4.324 5.440 -0.617) 6.976 12.766 ( 9.770 5.607 1.238) 11.333 13.088 ( -2.625 4.518 -0.327) 5.235 13.156 ( -2.299 0.367 0.600) 2.404 13.269 ( -0.470 -2.997 -0.605) 3.093 13.283 ( -2.347 -1.822 -4.827) 5.668 15.421 ( -0.976 -3.018 -0.896) 3.296 15.449 ( -1.295 -5.978 0.564) 6.142 15.886 ( -2.965 -2.353 -3.339) 5.047 15.984 ( 1.029 -3.390 -1.774) 3.961 16.559 ( 8.493 9.866 -3.741) 13.545 16.817 ( 13.475 10.158 1.736) 16.965 17.246 ( 0.752 3.636 5.893) 6.965 17.473 ( 4.393 -8.624 3.698) 10.361 17.534 ( -1.032 7.878 -9.215) 12.168 17.865 ( -1.086 1.908 -3.072) 3.776 19.143 ( -6.189 -7.480 10.670) 14.425 19.318 ( -14.559 -14.025 -5.122) 20.854 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -4.771 0.661 -1.180) 4.959 1.874 ( 0.229 1.925 7.938) 8.171 2.122 ( -1.073 -9.005 -5.727) 10.726 2.187 ( 1.215 -4.387 -0.904) 4.641 2.451 ( 10.098 0.936 4.275) 11.006 2.586 ( 4.677 -4.099 -3.359) 7.068 2.708 ( -12.070 -6.227 -3.862) 14.120 2.742 ( -7.072 -4.485 0.070) 8.374 3.174 ( -1.753 -2.365 1.647) 3.373 3.276 ( -3.292 -2.994 -2.730) 5.221 3.481 ( 2.412 -2.752 -0.291) 3.671 3.530 ( -3.084 -2.644 1.253) 4.251 4.299 ( 1.554 3.240 3.209) 4.817 4.383 ( 0.261 0.673 -0.229) 0.758 4.603 ( 1.639 -0.490 1.718) 2.424 4.705 ( 1.366 -4.983 1.712) 5.443 4.801 ( -0.796 3.807 -0.598) 3.935 4.988 ( 0.251 -2.801 0.645) 2.885 6.461 ( -0.211 3.158 0.750) 3.252 6.621 ( -1.023 -1.432 2.222) 2.835 7.090 ( 0.935 3.709 -3.699) 5.321 7.442 ( 0.352 -4.058 -2.168) 4.614 7.916 ( 1.462 -5.061 2.740) 5.938 8.092 ( 1.822 -9.103 -3.614) 9.962 8.549 ( -1.555 -0.157 1.096) 1.909 8.877 ( -1.755 -7.493 0.682) 7.726 9.118 ( -1.412 2.435 -1.232) 3.072 9.222 ( -1.792 4.763 0.114) 5.090 9.433 ( 2.506 -0.490 10.061) 10.380 9.562 ( 1.065 -3.680 -6.843) 7.843 9.764 ( -3.429 1.599 -1.718) 4.156 9.917 ( -0.524 -1.791 -0.671) 1.983 10.197 ( 0.860 7.110 0.689) 7.195 10.319 ( 3.915 -2.370 0.258) 4.584 10.434 ( -0.661 -8.427 0.239) 8.456 10.765 ( 1.607 -1.217 3.696) 4.210 10.863 ( 0.019 -3.527 -0.327) 3.542 10.913 ( -1.889 5.812 -0.996) 6.191 11.086 ( -1.640 0.671 0.853) 1.967 11.217 ( 0.457 -4.460 1.819) 4.838 11.486 ( 2.120 7.918 -1.582) 8.348 11.772 ( -0.697 -2.744 0.681) 2.911 12.716 ( -0.764 6.467 -1.275) 6.636 12.926 ( 6.495 6.584 1.530) 9.374 13.024 ( -2.381 2.412 -1.429) 3.679 13.093 ( -3.479 -1.434 -1.956) 4.241 13.264 ( -0.140 -0.681 0.715) 0.997 13.268 ( 1.406 -3.532 -0.251) 3.810 15.389 ( -1.338 -7.114 0.193) 7.241 15.434 ( -0.292 -7.053 -0.971) 7.126 15.821 ( -0.102 -2.049 -2.183) 2.996 15.981 ( -0.362 -4.863 -0.147) 4.879 16.716 ( 8.723 16.430 1.536) 18.665 17.003 ( 3.475 11.619 0.978) 12.167 17.188 ( -2.980 15.163 -3.308) 15.803 17.401 ( -3.891 8.398 0.783) 9.288 17.668 ( 4.190 -10.702 5.065) 12.559 17.821 ( 1.823 -7.447 -5.337) 9.342 19.079 ( -6.960 -13.216 -1.898) 15.057 19.158 ( -2.238 -11.324 3.581) 12.086 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 16.820 0.000) 16.820 2.009 ( 0.000 -7.664 0.000) 7.664 2.074 ( 0.000 15.350 0.000) 15.350 2.226 ( 0.000 2.798 0.000) 2.798 2.728 ( 0.000 9.610 0.000) 9.610 2.903 ( 0.000 -3.838 0.000) 3.838 2.949 ( 0.000 -1.083 0.000) 1.083 3.004 ( 0.000 -3.736 0.000) 3.736 3.315 ( 0.000 -1.432 0.000) 1.432 3.398 ( 0.000 -9.217 0.000) 9.217 3.534 ( 0.000 -6.685 0.000) 6.685 3.539 ( 0.000 -4.172 0.000) 4.172 4.145 ( 0.000 1.322 0.000) 1.322 4.193 ( 0.000 -3.451 0.000) 3.451 4.563 ( 0.000 3.760 0.000) 3.760 4.626 ( 0.000 -2.153 0.000) 2.153 4.824 ( 0.000 1.966 0.000) 1.966 4.869 ( 0.000 -2.029 0.000) 2.029 6.754 ( 0.000 0.286 0.000) 0.286 6.766 ( 0.000 -0.487 0.000) 0.487 7.202 ( 0.000 4.554 0.000) 4.554 7.317 ( 0.000 -7.114 0.000) 7.114 8.090 ( 0.000 -1.764 0.000) 1.764 8.105 ( 0.000 -3.251 0.000) 3.251 8.578 ( 0.000 0.686 0.000) 0.686 8.606 ( 0.000 -2.187 0.000) 2.187 9.057 ( 0.000 1.826 0.000) 1.826 9.098 ( 0.000 -2.122 0.000) 2.122 9.335 ( 0.000 0.369 0.000) 0.369 9.348 ( 0.000 -0.400 0.000) 0.400 9.582 ( 0.000 6.018 0.000) 6.018 9.708 ( 0.000 -6.703 0.000) 6.703 10.202 ( 0.000 2.333 0.000) 2.333 10.245 ( 0.000 -1.843 0.000) 1.843 10.532 ( 0.000 2.107 0.000) 2.107 10.548 ( 0.000 0.412 0.000) 0.412 10.905 ( 0.000 3.472 0.000) 3.472 10.920 ( 0.000 1.593 0.000) 1.593 11.239 ( 0.000 5.081 0.000) 5.081 11.343 ( 0.000 -5.477 0.000) 5.477 11.567 ( 0.000 4.161 0.000) 4.161 11.686 ( 0.000 -7.762 0.000) 7.762 12.550 ( 0.000 6.839 0.000) 6.839 12.676 ( 0.000 -6.033 0.000) 6.033 12.771 ( 0.000 11.670 0.000) 11.670 12.966 ( 0.000 -8.296 0.000) 8.296 13.546 ( 0.000 6.537 0.000) 6.537 13.648 ( 0.000 -4.011 0.000) 4.011 15.383 ( 0.000 0.822 0.000) 0.822 15.418 ( 0.000 -3.322 0.000) 3.322 15.688 ( 0.000 21.413 0.000) 21.413 16.100 ( 0.000 -19.823 0.000) 19.823 16.410 ( 0.000 7.234 0.000) 7.234 16.594 ( 0.000 -10.982 0.000) 10.982 17.107 ( 0.000 1.900 0.000) 1.900 17.136 ( 0.000 -1.035 0.000) 1.035 17.753 ( 0.000 4.087 0.000) 4.087 17.838 ( 0.000 -4.719 0.000) 4.719 19.507 ( 0.000 20.867 0.000) 20.867 19.895 ( 0.000 -18.900 0.000) 18.900 ======================= Grid point 45 (26/170) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 2.664 16.178 2.476) 16.582 1.984 ( 3.949 3.537 -6.759) 8.590 2.199 ( 5.429 5.003 8.261) 11.080 2.315 ( 5.633 0.298 6.196) 8.379 2.624 ( -6.113 8.244 -5.778) 11.778 2.837 ( -7.900 -7.305 -2.454) 11.036 2.884 ( -5.439 -2.504 -5.753) 8.303 2.933 ( -1.763 -5.990 -2.739) 6.819 3.337 ( 0.390 2.685 4.256) 5.047 3.367 ( -1.974 -0.676 -1.630) 2.648 3.500 ( -5.184 -1.874 2.753) 6.161 3.626 ( 1.442 -12.710 7.433) 14.795 4.182 ( 1.588 1.338 3.932) 4.447 4.228 ( 2.062 -3.187 3.092) 4.896 4.471 ( -5.832 4.236 -4.466) 8.480 4.544 ( -5.563 -3.003 -4.212) 7.596 4.854 ( 1.066 2.151 2.157) 3.227 4.899 ( 1.308 -2.126 1.195) 2.767 6.715 ( -3.052 0.398 -1.463) 3.408 6.729 ( -2.463 -0.789 -2.525) 3.615 7.214 ( 0.337 5.395 1.963) 5.751 7.341 ( 1.453 -7.294 1.525) 7.592 8.053 ( -2.839 -1.941 -4.360) 5.553 8.060 ( -1.856 -2.851 -3.530) 4.902 8.594 ( 2.758 1.722 -0.299) 3.265 8.639 ( 4.395 -2.969 0.176) 5.307 8.971 ( -6.017 2.342 0.048) 6.457 9.048 ( -5.649 -5.150 0.414) 7.655 9.427 ( 4.362 1.327 4.628) 6.497 9.449 ( 4.394 -0.681 5.189) 6.834 9.634 ( 6.721 6.077 0.971) 9.113 9.751 ( 4.555 -5.796 1.437) 7.510 10.184 ( -1.196 3.010 -1.037) 3.400 10.243 ( -0.435 -2.858 -0.619) 2.957 10.530 ( -1.944 2.816 0.611) 3.476 10.558 ( 0.253 0.134 0.439) 0.524 10.861 ( -3.575 2.315 1.404) 4.485 10.872 ( -2.710 1.296 -1.747) 3.475 11.340 ( 6.728 5.223 4.527) 9.645 11.418 ( 2.925 -1.685 2.741) 4.349 11.541 ( -1.529 1.045 0.138) 1.857 11.636 ( -2.436 -7.017 -4.463) 8.666 12.482 ( -0.747 2.253 -5.982) 6.435 12.493 ( -2.931 1.679 -10.457) 10.989 12.960 ( 5.362 4.968 9.548) 12.025 13.066 ( 4.945 -5.254 5.751) 9.226 13.510 ( -3.369 6.388 -1.225) 7.325 13.612 ( -3.162 -4.101 -1.638) 5.431 15.397 ( 1.148 2.231 0.909) 2.669 15.460 ( 2.627 -4.752 1.682) 5.684 15.717 ( 1.067 20.286 3.592) 20.629 16.106 ( -0.108 -18.667 0.844) 18.687 16.451 ( 5.967 8.447 -1.357) 10.431 16.642 ( 5.056 -10.213 0.566) 11.410 16.983 ( -3.542 0.525 -11.917) 12.443 17.012 ( -1.242 -2.788 -15.726) 16.020 17.836 ( 1.651 4.661 8.482) 9.818 17.915 ( 0.971 -3.396 8.672) 9.363 19.457 ( -6.766 19.381 1.533) 20.585 19.826 ( -7.194 -18.299 -1.225) 19.700 ======================= Grid point 46 (27/170) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.385 15.284 3.705) 15.906 1.992 ( 5.788 3.938 -6.162) 9.326 2.312 ( -1.458 2.360 -2.510) 3.742 2.464 ( -2.595 -9.788 -2.190) 10.361 2.518 ( -0.354 4.880 5.067) 7.044 2.586 ( -5.881 -2.798 -4.597) 7.972 2.768 ( -2.649 2.494 -3.197) 4.844 2.885 ( -2.606 -8.291 2.398) 9.016 3.308 ( -2.957 -1.209 -0.871) 3.311 3.346 ( -4.781 -4.342 0.634) 6.489 3.487 ( -1.743 9.404 7.714) 12.287 3.702 ( -1.932 -11.294 4.983) 12.495 4.264 ( -0.190 2.166 4.193) 4.724 4.319 ( -0.124 -2.970 2.623) 3.964 4.333 ( -1.767 3.292 0.164) 3.740 4.396 ( -3.872 -2.878 -2.414) 5.395 4.887 ( 0.079 1.209 1.592) 2.001 4.917 ( -0.196 -1.714 0.226) 1.739 6.637 ( -4.395 -0.055 -0.877) 4.482 6.641 ( -4.068 -0.274 -1.816) 4.463 7.258 ( 2.548 6.166 0.865) 6.728 7.389 ( 2.847 -6.814 -0.144) 7.386 7.915 ( -3.474 -0.009 -7.836) 8.572 7.967 ( -1.425 -5.245 -6.711) 8.636 8.651 ( 0.614 5.838 2.950) 6.569 8.767 ( 7.173 -5.255 4.071) 9.779 8.914 ( -0.752 -0.925 1.124) 1.638 8.956 ( -5.004 -5.630 1.110) 7.614 9.521 ( -1.293 2.711 6.246) 6.930 9.551 ( 0.349 0.110 5.760) 5.772 9.817 ( 11.605 3.276 0.626) 12.075 9.887 ( 8.807 -3.644 1.037) 9.587 10.141 ( -1.809 2.997 -1.997) 4.030 10.203 ( -2.081 -3.225 -2.482) 4.571 10.460 ( -6.234 4.855 0.528) 7.919 10.536 ( -2.988 -2.595 -0.051) 3.958 10.845 ( -0.013 2.506 2.116) 3.279 10.869 ( 0.870 0.128 2.969) 3.097 11.351 ( -6.094 3.561 -3.580) 7.914 11.456 ( -6.694 -6.878 -4.205) 10.479 11.526 ( 4.411 6.678 3.695) 8.815 11.631 ( 3.316 -3.973 2.303) 5.664 12.436 ( 7.479 2.425 -4.216) 8.921 12.467 ( 6.495 -0.839 -3.547) 7.448 13.125 ( 3.061 4.390 6.464) 8.392 13.199 ( 3.455 -2.947 3.769) 5.901 13.410 ( -5.944 5.713 -2.358) 8.575 13.507 ( -5.708 -4.275 -3.329) 7.870 15.427 ( 0.574 3.219 0.790) 3.364 15.500 ( -0.859 -4.089 1.222) 4.353 15.810 ( 3.040 14.348 5.725) 15.744 16.096 ( -1.589 -13.882 -1.627) 14.067 16.574 ( 11.652 11.632 -4.341) 17.027 16.718 ( 1.777 1.475 -4.219) 4.810 16.821 ( 1.552 -5.637 -8.349) 10.192 16.871 ( 9.431 -12.921 -10.145) 18.942 17.941 ( -0.454 5.536 6.204) 8.327 18.007 ( -1.348 -0.858 6.074) 6.281 19.328 ( -11.867 14.601 3.956) 19.226 19.635 ( -13.040 -16.417 -1.744) 21.038 ======================= Grid point 47 (28/170) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.473 12.623 5.453) 15.650 2.022 ( 4.219 -3.769 -4.250) 7.076 2.173 ( -14.585 -4.673 -5.431) 16.249 2.197 ( -1.795 -1.921 -9.387) 9.748 2.507 ( -6.426 6.664 4.017) 10.092 2.588 ( -0.357 -1.431 -1.233) 1.923 2.773 ( 3.894 2.281 -0.863) 4.595 2.898 ( -0.873 -8.959 0.111) 9.002 3.252 ( -2.938 -2.866 -0.331) 4.117 3.266 ( -4.314 -4.156 1.640) 6.211 3.539 ( -3.836 6.108 5.794) 9.252 3.650 ( -7.063 -4.648 -0.372) 8.464 4.243 ( -1.876 1.769 1.724) 3.102 4.283 ( 0.230 -2.263 3.469) 4.149 4.404 ( 2.710 3.372 4.251) 6.065 4.471 ( 3.148 -3.268 5.382) 7.039 4.893 ( -0.877 0.403 0.340) 1.023 4.910 ( -0.342 -1.211 0.605) 1.396 6.554 ( -3.723 1.290 -0.217) 3.946 6.579 ( -3.590 -1.315 1.963) 4.297 7.290 ( 2.341 6.087 -4.056) 7.680 7.411 ( 2.309 -5.794 -4.392) 7.628 7.805 ( 0.350 1.503 -4.815) 5.056 7.898 ( 2.957 -7.624 -6.104) 10.205 8.654 ( -4.195 7.330 3.915) 9.309 8.832 ( -5.326 -9.947 2.026) 11.464 8.990 ( 7.711 -0.106 5.310) 9.364 9.026 ( 6.695 -3.073 4.505) 8.635 9.519 ( -6.193 4.486 3.559) 8.434 9.575 ( -3.543 -0.900 2.274) 4.305 9.961 ( 4.638 1.393 -3.473) 5.959 9.996 ( 2.186 -1.693 -3.515) 4.472 10.111 ( 2.747 2.062 -0.383) 3.456 10.160 ( 2.956 -2.769 -1.275) 4.247 10.388 ( -4.629 5.493 4.379) 8.413 10.500 ( -2.889 -5.379 3.966) 7.281 10.889 ( 1.027 3.076 2.416) 4.044 10.933 ( 1.646 -1.480 3.433) 4.085 11.197 ( -6.113 2.370 -3.374) 7.374 11.268 ( -6.726 -4.393 -5.026) 9.476 11.601 ( 1.588 6.349 0.092) 6.546 11.696 ( 0.978 -3.142 2.340) 4.038 12.610 ( 11.592 0.779 0.207) 11.620 12.613 ( 12.883 0.747 1.653) 13.010 13.210 ( -0.282 3.447 3.394) 4.846 13.259 ( 0.638 -0.891 0.622) 1.260 13.265 ( -6.887 3.783 -3.146) 8.464 13.352 ( -6.263 -4.301 -5.026) 9.109 15.420 ( -1.798 1.347 -0.177) 2.254 15.458 ( -4.660 -2.224 0.343) 5.175 15.905 ( 1.547 4.621 1.756) 5.180 16.000 ( -2.230 -5.215 -7.642) 9.517 16.660 ( 7.656 9.342 -5.801) 13.399 16.766 ( 12.160 8.133 -1.711) 14.729 16.912 ( 10.380 -8.560 3.466) 13.893 17.032 ( 13.621 -13.068 -2.052) 18.987 17.938 ( -3.933 7.367 -1.449) 8.476 18.000 ( -4.300 1.138 1.227) 4.614 19.170 ( -13.666 6.494 6.639) 16.523 19.366 ( -16.212 -13.026 -1.156) 20.829 ======================= Grid point 48 (29/170) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -6.937 6.278 9.904) 13.624 1.884 ( -13.017 -1.470 0.231) 13.102 2.042 ( 4.295 -4.282 -5.179) 7.975 2.089 ( 1.329 -5.742 -9.837) 11.467 2.464 ( -1.911 9.071 2.788) 9.680 2.569 ( 0.064 -1.446 -1.834) 2.336 2.761 ( -3.616 -1.919 -2.465) 4.779 2.801 ( -6.600 -5.780 -4.264) 9.755 3.197 ( -3.339 -1.009 -0.652) 3.549 3.238 ( -2.143 -4.805 0.989) 5.354 3.485 ( -5.025 1.284 0.635) 5.225 3.525 ( -5.027 -2.343 -0.488) 5.567 4.298 ( 2.078 4.823 5.519) 7.619 4.373 ( 1.471 -1.865 5.565) 6.051 4.496 ( 3.348 2.021 3.180) 5.041 4.566 ( 2.366 -3.928 2.695) 5.319 4.878 ( -0.716 2.133 0.135) 2.254 4.921 ( 0.049 -2.230 1.238) 2.551 6.517 ( -1.798 2.588 1.781) 3.619 6.566 ( -1.967 -2.384 3.484) 4.657 7.243 ( 1.043 6.197 -7.305) 9.636 7.371 ( 0.942 -6.525 -6.034) 8.937 7.820 ( 4.043 2.210 -0.614) 4.648 7.916 ( 5.023 -7.393 -3.868) 9.739 8.624 ( -3.797 5.552 2.687) 7.243 8.765 ( -4.239 -8.245 1.062) 9.332 9.159 ( 3.785 1.847 4.405) 6.094 9.210 ( 5.755 -2.701 7.517) 9.845 9.412 ( -7.272 5.335 -0.138) 9.020 9.509 ( -2.882 -3.949 -1.465) 5.103 9.909 ( -3.791 0.447 -3.961) 5.501 9.921 ( -1.680 -0.995 -4.198) 4.630 10.206 ( 6.538 1.977 -0.355) 6.840 10.245 ( 5.840 -1.395 -1.299) 6.143 10.392 ( -3.033 4.896 5.447) 7.927 10.535 ( -1.358 -8.260 7.316) 11.117 10.915 ( 0.472 3.810 -0.005) 3.839 10.980 ( 0.770 -2.237 0.026) 2.366 11.106 ( -2.775 1.985 1.617) 3.776 11.153 ( -2.160 -2.691 -1.198) 3.653 11.614 ( 1.439 6.804 -1.302) 7.076 11.717 ( -0.553 -3.750 1.012) 3.924 12.805 ( 8.189 3.338 1.081) 8.909 12.832 ( 9.535 0.950 1.771) 9.744 13.125 ( -4.075 0.167 -1.509) 4.348 13.140 ( -6.602 -1.355 -3.905) 7.789 13.248 ( -1.317 0.642 -0.886) 1.713 13.263 ( -0.612 -0.615 -1.011) 1.333 15.373 ( -4.515 -1.702 -0.354) 4.838 15.374 ( -2.643 -1.632 -1.075) 3.287 15.871 ( -1.140 1.019 -5.270) 5.487 15.918 ( 0.025 -3.312 -3.495) 4.815 16.814 ( 11.935 15.143 2.343) 19.423 16.994 ( 13.431 5.504 1.481) 14.590 17.168 ( 11.167 -9.215 7.767) 16.430 17.228 ( 10.460 -9.527 -0.196) 14.150 17.778 ( -7.593 10.977 -8.205) 15.668 17.897 ( -5.864 -0.973 -4.346) 7.364 19.036 ( -11.208 -2.363 6.773) 13.307 19.090 ( -14.925 -8.092 0.089) 16.978 ======================= Grid point 49 (30/170) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.286 6.760 0.625) 8.604 1.852 ( -3.441 -6.391 10.798) 13.010 1.999 ( 2.530 0.168 -8.996) 9.346 2.083 ( 3.547 -6.132 -1.797) 7.308 2.504 ( 1.694 3.031 2.459) 4.255 2.540 ( 1.588 -0.022 -3.764) 4.086 2.621 ( -8.429 -2.418 -0.078) 8.769 2.656 ( -3.986 -4.015 -3.104) 6.453 3.141 ( -1.721 0.360 -0.277) 1.779 3.199 ( -1.692 -4.620 -0.710) 4.971 3.444 ( -0.569 0.055 0.180) 0.599 3.476 ( -1.320 -2.677 0.241) 2.994 4.386 ( 1.074 4.579 3.521) 5.875 4.422 ( 0.085 1.627 0.847) 1.836 4.578 ( 1.720 -1.104 2.266) 3.052 4.610 ( 0.979 -4.036 -0.004) 4.153 4.876 ( -0.100 3.395 0.344) 3.413 4.934 ( 0.080 -2.764 0.605) 2.831 6.522 ( -0.308 3.052 1.304) 3.333 6.579 ( -0.648 -2.709 1.834) 3.335 7.190 ( 0.637 6.440 -3.444) 7.331 7.327 ( 0.319 -7.122 -2.742) 7.638 7.882 ( 2.296 1.111 0.449) 2.590 7.948 ( 2.207 -5.556 -1.802) 6.244 8.594 ( -1.767 4.740 0.739) 5.112 8.721 ( -1.759 -7.861 0.461) 8.068 9.198 ( -0.797 5.528 0.220) 5.590 9.299 ( -2.566 -1.389 0.730) 3.008 9.388 ( 2.598 1.545 4.700) 5.588 9.485 ( 0.561 -4.880 -0.922) 4.998 9.807 ( -2.499 2.470 -2.452) 4.285 9.863 ( -0.982 -3.262 -1.539) 3.738 10.288 ( 3.000 -0.536 -0.240) 3.057 10.300 ( 3.073 -0.906 -1.690) 3.622 10.388 ( -2.907 7.919 2.749) 8.873 10.588 ( -0.417 -11.246 3.183) 11.695 10.923 ( 0.670 4.500 -0.116) 4.551 10.975 ( 0.219 -0.064 -0.944) 0.972 11.109 ( -0.611 1.501 1.687) 2.340 11.147 ( 0.103 -2.656 0.991) 2.836 11.624 ( 0.903 5.882 -0.666) 5.988 11.713 ( -0.511 -3.522 0.253) 3.568 12.839 ( -0.874 6.073 -1.298) 6.271 12.945 ( 0.300 -4.438 -0.144) 4.450 13.058 ( 3.562 4.167 -0.852) 5.547 13.119 ( -0.065 -0.143 0.727) 0.743 13.206 ( -0.468 -0.915 -0.744) 1.268 13.237 ( -1.991 -2.196 -0.510) 3.007 15.308 ( -1.916 -1.155 -0.389) 2.271 15.333 ( -0.971 -3.396 -0.564) 3.577 15.819 ( -0.060 1.828 -1.995) 2.706 15.885 ( -0.242 -4.606 -1.378) 4.813 17.046 ( 9.110 16.336 2.551) 18.878 17.202 ( 7.485 6.736 2.056) 10.277 17.361 ( 3.296 -2.543 3.756) 5.607 17.446 ( 8.356 -10.223 10.382) 16.796 17.531 ( -7.393 10.143 -9.353) 15.653 17.705 ( -6.814 -6.051 -9.917) 13.468 18.903 ( -6.635 -3.370 0.476) 7.457 18.959 ( -4.439 -7.992 2.844) 9.574 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -10.332 0.000 24.336) 26.439 0.629 ( -0.352 0.000 28.817) 28.819 1.015 ( -0.900 0.000 45.141) 45.150 2.168 ( 6.406 0.000 -4.591) 7.881 2.700 ( -3.907 0.000 -16.071) 16.539 2.771 ( 4.548 0.000 1.543) 4.803 3.037 ( -5.881 0.000 8.107) 10.015 3.288 ( 2.987 0.000 8.943) 9.428 3.641 ( 1.213 0.000 -13.803) 13.856 3.812 ( 2.318 0.000 -4.992) 5.504 4.050 ( -3.600 0.000 -7.482) 8.303 4.173 ( 0.090 0.000 -6.449) 6.450 4.189 ( -0.494 0.000 2.908) 2.950 4.243 ( -1.862 0.000 6.432) 6.696 4.473 ( 0.223 0.000 1.979) 1.992 4.566 ( 2.046 0.000 2.946) 3.587 4.994 ( -1.682 0.000 1.938) 2.567 5.083 ( -0.671 0.000 -0.872) 1.101 6.634 ( -1.092 0.000 1.357) 1.742 6.833 ( 3.167 0.000 -1.759) 3.622 7.234 ( 0.612 0.000 -2.433) 2.509 7.751 ( 1.416 0.000 -9.387) 9.493 8.362 ( -5.450 0.000 -4.625) 7.148 8.432 ( 3.238 0.000 -5.316) 6.225 8.640 ( -3.971 0.000 7.409) 8.406 8.829 ( 3.516 0.000 1.111) 3.687 9.016 ( 6.361 0.000 0.789) 6.409 9.083 ( -5.615 0.000 2.781) 6.266 9.199 ( 4.586 0.000 6.650) 8.078 9.352 ( -5.545 0.000 5.455) 7.778 9.790 ( -2.154 0.000 5.609) 6.008 9.999 ( 2.102 0.000 -2.527) 3.287 10.092 ( 2.067 0.000 1.111) 2.346 10.183 ( -4.681 0.000 -0.805) 4.750 10.326 ( 3.974 0.000 1.686) 4.317 10.354 ( 3.288 0.000 0.460) 3.320 10.464 ( -2.539 0.000 -0.989) 2.724 10.622 ( 2.209 0.000 1.371) 2.600 11.080 ( 0.409 0.000 2.375) 2.410 11.518 ( -6.746 0.000 5.489) 8.697 11.745 ( 0.762 0.000 -2.473) 2.588 11.986 ( -1.663 0.000 -5.654) 5.894 12.004 ( 3.481 0.000 5.226) 6.279 12.290 ( 4.762 0.000 1.782) 5.084 12.884 ( -5.450 0.000 -1.450) 5.640 12.949 ( 2.665 0.000 -3.345) 4.277 13.248 ( 1.681 0.000 -0.834) 1.876 13.713 ( 0.272 0.000 -5.782) 5.789 14.573 ( -5.295 0.000 11.221) 12.408 15.688 ( 1.445 0.000 3.678) 3.951 15.842 ( 1.748 0.000 -5.059) 5.353 16.514 ( 1.375 0.000 -0.980) 1.689 16.905 ( 0.432 0.000 0.420) 0.603 16.931 ( -1.158 0.000 1.899) 2.224 16.938 ( 1.162 0.000 -0.661) 1.336 17.128 ( -9.156 0.000 -2.974) 9.627 17.520 ( -0.000 0.000 -5.220) 5.220 17.616 ( 5.625 0.000 -25.149) 25.770 18.886 ( -0.531 0.000 29.193) 29.198 20.667 ( -0.169 0.000 -8.076) 8.078 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.718 0.000 21.568) 21.637 1.043 ( 9.695 0.000 26.157) 27.896 1.686 ( 19.117 0.000 33.514) 38.583 2.224 ( 8.622 0.000 -11.328) 14.236 2.454 ( -1.773 0.000 -17.369) 17.459 2.891 ( 0.427 0.000 13.442) 13.449 3.001 ( -7.529 0.000 6.418) 9.893 3.395 ( -1.047 0.000 4.259) 4.386 3.467 ( -1.421 0.000 -14.942) 15.010 3.692 ( -7.204 0.000 -5.905) 9.315 3.910 ( -4.363 0.000 -4.684) 6.401 4.078 ( 0.645 0.000 -10.081) 10.102 4.210 ( 0.702 0.000 0.921) 1.158 4.313 ( -0.877 0.000 7.380) 7.432 4.482 ( -1.815 0.000 2.371) 2.986 4.607 ( 0.506 0.000 -0.524) 0.728 4.980 ( -2.353 0.000 1.947) 3.054 5.056 ( -1.684 0.000 0.508) 1.759 6.611 ( -3.041 0.000 -0.178) 3.047 6.822 ( -2.469 0.000 -0.817) 2.600 7.202 ( -1.557 0.000 -1.283) 2.017 7.623 ( -1.918 0.000 -9.272) 9.468 8.240 ( -1.545 0.000 -3.066) 3.433 8.463 ( 5.203 0.000 -2.386) 5.724 8.649 ( -3.961 0.000 6.236) 7.388 8.956 ( 8.599 0.000 -1.320) 8.699 9.031 ( -0.550 0.000 -0.111) 0.561 9.162 ( 7.720 0.000 1.467) 7.858 9.297 ( -5.841 0.000 3.373) 6.745 9.473 ( 12.965 0.000 10.323) 16.572 9.780 ( -4.534 0.000 1.180) 4.685 10.009 ( 3.204 0.000 -3.450) 4.709 10.108 ( -4.195 0.000 2.600) 4.936 10.125 ( 0.603 0.000 -2.256) 2.335 10.351 ( -0.886 0.000 -1.553) 1.789 10.385 ( -5.037 0.000 -1.438) 5.238 10.448 ( 5.099 0.000 4.405) 6.738 10.712 ( 4.287 0.000 4.334) 6.096 11.179 ( 2.712 0.000 8.315) 8.746 11.509 ( 0.566 0.000 3.597) 3.641 11.658 ( -6.170 0.000 -6.324) 8.835 11.909 ( 1.129 0.000 -1.656) 2.005 12.109 ( -0.070 0.000 6.290) 6.291 12.405 ( 4.660 0.000 -0.711) 4.714 12.763 ( -3.463 0.000 -4.162) 5.414 12.961 ( 2.346 0.000 -0.840) 2.492 13.274 ( 2.079 0.000 -0.117) 2.082 13.625 ( -1.039 0.000 -8.126) 8.192 14.694 ( 3.070 0.000 12.411) 12.785 15.788 ( 3.104 0.000 6.420) 7.131 15.799 ( 1.608 0.000 -6.657) 6.849 16.501 ( -0.566 0.000 -2.186) 2.258 16.867 ( -8.780 0.000 -8.136) 11.970 16.885 ( -4.116 0.000 0.666) 4.170 16.932 ( -0.838 0.000 0.955) 1.271 16.942 ( -2.230 0.000 -3.159) 3.867 17.495 ( 4.122 0.000 -3.753) 5.575 17.537 ( 11.409 0.000 -14.483) 18.437 19.208 ( -1.059 0.000 27.603) 27.623 20.502 ( -5.343 0.000 -11.951) 13.090 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 8.094 0.000 17.422) 19.210 1.530 ( 13.732 0.000 22.888) 26.692 2.163 ( 2.913 0.000 -13.542) 13.852 2.225 ( 3.027 0.000 -5.574) 6.343 2.303 ( 11.921 0.000 4.546) 12.758 2.924 ( -8.559 0.000 6.260) 10.604 3.135 ( 3.843 0.000 18.069) 18.473 3.253 ( -3.460 0.000 -14.678) 15.080 3.289 ( -9.234 0.000 -3.667) 9.935 3.585 ( -3.151 0.000 3.373) 4.616 3.782 ( -5.850 0.000 -2.457) 6.345 3.937 ( -2.907 0.000 -11.731) 12.085 4.246 ( 2.527 0.000 1.377) 2.878 4.384 ( 0.578 0.000 5.193) 5.225 4.479 ( -1.830 0.000 2.648) 3.219 4.557 ( -2.153 0.000 -5.565) 5.967 4.974 ( -1.135 0.000 2.563) 2.803 5.053 ( -0.748 0.000 2.472) 2.583 6.525 ( -4.654 0.000 -2.748) 5.404 6.753 ( -4.248 0.000 -0.332) 4.261 7.156 ( -3.280 0.000 0.438) 3.309 7.500 ( -0.967 0.000 -7.513) 7.575 8.260 ( 5.057 0.000 0.686) 5.103 8.521 ( 1.827 0.000 1.143) 2.155 8.658 ( -3.171 0.000 5.954) 6.746 8.976 ( 1.944 0.000 -2.171) 2.914 9.148 ( 10.234 0.000 -3.765) 10.904 9.208 ( -4.835 0.000 1.751) 5.142 9.311 ( 3.344 0.000 2.973) 4.475 9.678 ( -4.410 0.000 -3.784) 5.811 9.809 ( 12.399 0.000 7.401) 14.440 10.024 ( 2.482 0.000 -2.866) 3.792 10.058 ( -6.550 0.000 0.427) 6.564 10.120 ( -0.126 0.000 5.641) 5.642 10.273 ( -2.010 0.000 -4.878) 5.276 10.310 ( 0.856 0.000 -2.406) 2.554 10.609 ( 6.598 0.000 3.683) 7.557 10.844 ( 3.452 0.000 6.416) 7.285 11.273 ( -2.514 0.000 6.148) 6.642 11.450 ( -6.676 0.000 -8.567) 10.861 11.670 ( 10.409 0.000 7.069) 12.583 11.932 ( -0.043 0.000 0.165) 0.170 12.127 ( -4.470 0.000 3.711) 5.809 12.397 ( 0.931 0.000 -5.294) 5.375 12.715 ( 2.033 0.000 -2.959) 3.590 13.020 ( 2.836 0.000 3.641) 4.615 13.313 ( 2.551 0.000 -0.270) 2.565 13.493 ( -2.294 0.000 -9.472) 9.746 14.945 ( 9.122 0.000 12.187) 15.223 15.759 ( 3.409 0.000 -6.743) 7.556 15.929 ( 3.508 0.000 7.722) 8.481 16.436 ( 0.819 0.000 -10.539) 10.571 16.638 ( -8.537 0.000 -2.019) 8.773 16.783 ( -8.621 0.000 0.386) 8.630 16.852 ( -5.924 0.000 -1.829) 6.199 16.907 ( -2.226 0.000 -1.205) 2.531 17.592 ( 9.908 0.000 0.374) 9.915 17.619 ( 13.420 0.000 -9.172) 16.255 19.476 ( -2.840 0.000 23.673) 23.843 20.227 ( -8.459 0.000 -14.354) 16.661 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 8.455 0.000 12.345) 14.963 1.977 ( 10.573 0.000 6.380) 12.349 2.118 ( 4.837 0.000 -13.278) 14.132 2.125 ( 8.426 0.000 4.619) 9.609 2.459 ( 1.057 0.000 -2.883) 3.071 2.843 ( -8.879 0.000 5.826) 10.620 3.010 ( -5.620 0.000 -13.689) 14.798 3.131 ( -8.335 0.000 2.388) 8.670 3.401 ( 2.423 0.000 15.875) 16.059 3.533 ( -6.767 0.000 -3.921) 7.821 3.699 ( -8.254 0.000 -13.101) 15.484 3.737 ( -0.275 0.000 7.191) 7.196 4.346 ( 5.941 0.000 3.722) 7.011 4.425 ( -3.652 0.000 -4.457) 5.762 4.452 ( 2.855 0.000 -1.473) 3.213 4.482 ( -0.933 0.000 1.620) 1.870 5.004 ( 0.718 0.000 2.865) 2.953 5.078 ( 0.399 0.000 1.859) 1.902 6.417 ( -3.377 0.000 -3.118) 4.596 6.685 ( -3.633 0.000 -0.025) 3.633 7.106 ( -3.925 0.000 1.680) 4.269 7.419 ( 0.984 0.000 -6.061) 6.140 8.375 ( 6.654 0.000 -1.016) 6.731 8.540 ( -1.147 0.000 1.139) 1.616 8.693 ( -2.814 0.000 9.621) 10.024 9.024 ( 4.723 0.000 0.197) 4.727 9.164 ( -2.124 0.000 1.834) 2.806 9.183 ( 0.327 0.000 -5.375) 5.385 9.350 ( -3.067 0.000 2.638) 4.046 9.556 ( -4.529 0.000 -6.522) 7.940 9.947 ( -2.803 0.000 -1.573) 3.214 9.984 ( 2.462 0.000 1.452) 2.859 10.068 ( 0.867 0.000 5.476) 5.544 10.214 ( 4.629 0.000 2.474) 5.249 10.223 ( 4.746 0.000 -8.052) 9.346 10.400 ( 8.867 0.000 3.023) 9.368 10.725 ( 3.913 0.000 0.682) 3.972 10.947 ( -2.261 0.000 6.986) 7.342 11.273 ( -3.179 0.000 3.539) 4.757 11.290 ( 1.689 0.000 -7.933) 8.111 11.857 ( -6.340 0.000 -3.047) 7.034 11.884 ( 4.666 0.000 -0.833) 4.740 12.111 ( -0.905 0.000 7.668) 7.721 12.409 ( 6.212 0.000 -2.744) 6.791 12.717 ( 1.928 0.000 -3.268) 3.794 13.138 ( 2.617 0.000 8.443) 8.839 13.339 ( 1.705 0.000 -2.038) 2.657 13.342 ( -2.698 0.000 -8.291) 8.719 15.263 ( 12.404 0.000 10.566) 16.294 15.768 ( 6.327 0.000 -5.704) 8.519 16.076 ( 2.833 0.000 8.297) 8.767 16.294 ( 3.008 0.000 -16.774) 17.041 16.547 ( -8.071 0.000 8.043) 11.394 16.608 ( -12.370 0.000 0.036) 12.370 16.710 ( -8.299 0.000 -0.988) 8.357 16.832 ( -3.333 0.000 -3.231) 4.642 17.746 ( 12.451 0.000 -7.200) 14.383 17.819 ( 12.753 0.000 4.142) 13.409 19.652 ( -5.128 0.000 17.915) 18.634 19.910 ( -8.377 0.000 -14.523) 16.766 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 6.297 0.000 5.326) 8.248 2.075 ( 8.221 0.000 -3.228) 8.832 2.092 ( 7.769 0.000 -9.704) 12.431 2.398 ( -1.174 0.000 -3.786) 3.964 2.474 ( 7.454 0.000 11.648) 13.829 2.752 ( -6.825 0.000 -11.682) 13.529 2.833 ( 1.114 0.000 10.823) 10.881 3.070 ( -3.754 0.000 6.041) 7.112 3.313 ( -10.181 0.000 -7.406) 12.589 3.354 ( -13.456 0.000 -14.144) 19.523 3.545 ( -3.365 0.000 8.898) 9.514 3.826 ( -1.185 0.000 7.133) 7.231 4.330 ( 1.086 0.000 -5.200) 5.312 4.469 ( 0.958 0.000 -1.234) 1.562 4.484 ( 2.086 0.000 -1.875) 2.805 4.513 ( 4.895 0.000 4.055) 6.356 5.045 ( 0.725 0.000 1.130) 1.342 5.101 ( 0.839 0.000 -0.051) 0.840 6.356 ( -0.900 0.000 -0.951) 1.310 6.627 ( -3.141 0.000 0.055) 3.142 7.073 ( -3.013 0.000 3.005) 4.255 7.402 ( 4.170 0.000 -4.344) 6.021 8.414 ( 4.089 0.000 -7.444) 8.493 8.517 ( -1.022 0.000 -1.591) 1.891 8.782 ( -4.556 0.000 14.166) 14.881 9.060 ( -5.944 0.000 0.888) 6.010 9.136 ( 4.026 0.000 -2.800) 4.904 9.191 ( 2.195 0.000 2.511) 3.335 9.281 ( -6.381 0.000 0.433) 6.396 9.393 ( -4.479 0.000 -3.234) 5.524 9.911 ( 1.320 0.000 -3.811) 4.034 10.003 ( 0.278 0.000 -0.013) 0.278 10.121 ( -3.231 0.000 3.594) 4.833 10.306 ( 4.028 0.000 -0.116) 4.030 10.307 ( 13.293 0.000 -2.166) 13.468 10.548 ( 3.433 0.000 0.476) 3.466 10.754 ( 0.816 0.000 -2.109) 2.261 10.930 ( -3.695 0.000 2.879) 4.684 11.260 ( -2.693 0.000 2.407) 3.612 11.360 ( 10.065 0.000 -0.502) 10.077 11.696 ( -6.263 0.000 -5.196) 8.138 11.831 ( -1.596 0.000 -5.243) 5.481 12.243 ( 1.742 0.000 7.411) 7.613 12.478 ( 4.799 0.000 -4.493) 6.574 12.723 ( 2.201 0.000 0.141) 2.206 13.239 ( -0.887 0.000 -3.072) 3.197 13.287 ( -0.124 0.000 9.640) 9.641 13.311 ( 1.452 0.000 -4.577) 4.802 15.593 ( 13.766 0.000 7.975) 15.909 15.834 ( 8.555 0.000 -4.934) 9.876 16.190 ( 4.978 0.000 -12.074) 13.060 16.213 ( 0.846 0.000 9.388) 9.426 16.372 ( -15.567 0.000 -0.022) 15.567 16.486 ( -9.249 0.000 3.257) 9.805 16.605 ( -6.151 0.000 7.347) 9.582 16.734 ( -2.483 0.000 -4.256) 4.928 17.857 ( 9.991 0.000 -6.458) 11.896 18.064 ( 9.320 0.000 3.387) 9.917 19.647 ( -3.772 0.000 -11.218) 11.835 19.715 ( -7.426 0.000 11.007) 13.278 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.417 0.000 -2.549) 2.583 2.148 ( 8.662 0.000 -4.783) 9.894 2.154 ( 1.983 0.000 -3.271) 3.825 2.398 ( 3.092 0.000 3.506) 4.675 2.552 ( -2.106 0.000 -5.644) 6.024 2.596 ( 3.426 0.000 2.046) 3.991 2.914 ( -16.013 0.000 -13.982) 21.258 3.033 ( -9.643 0.000 -8.282) 12.711 3.160 ( 2.918 0.000 6.565) 7.185 3.176 ( 12.831 0.000 15.966) 20.483 3.511 ( -6.038 0.000 0.717) 6.080 3.848 ( -4.287 0.000 4.549) 6.251 4.342 ( 2.603 0.000 0.075) 2.604 4.435 ( 0.206 0.000 -5.251) 5.255 4.478 ( 2.403 0.000 -4.729) 5.305 4.601 ( -0.056 0.000 2.008) 2.009 5.040 ( -0.782 0.000 -2.045) 2.190 5.100 ( 0.345 0.000 -1.904) 1.935 6.363 ( 0.898 0.000 1.954) 2.151 6.590 ( -1.330 0.000 0.328) 1.370 7.075 ( -2.022 0.000 4.294) 4.746 7.438 ( 4.257 0.000 -2.966) 5.188 8.365 ( 2.979 0.000 -10.303) 10.725 8.470 ( -0.085 0.000 -4.902) 4.903 8.829 ( -7.386 0.000 10.788) 13.074 8.963 ( -4.303 0.000 1.373) 4.517 9.132 ( 1.896 0.000 -5.403) 5.726 9.177 ( -4.903 0.000 0.342) 4.915 9.270 ( 1.912 0.000 2.602) 3.229 9.417 ( 2.346 0.000 7.762) 8.109 9.894 ( 2.543 0.000 -4.923) 5.541 10.009 ( 0.324 0.000 0.281) 0.428 10.084 ( -3.288 0.000 0.658) 3.353 10.341 ( 1.772 0.000 -2.212) 2.834 10.513 ( 7.381 0.000 2.783) 7.888 10.547 ( -0.497 0.000 -1.665) 1.738 10.737 ( 1.881 0.000 -1.568) 2.449 10.898 ( -3.422 0.000 -0.590) 3.472 11.219 ( -3.074 0.000 -1.565) 3.450 11.535 ( -1.902 0.000 -1.331) 2.321 11.546 ( 6.262 0.000 -1.806) 6.517 11.788 ( 2.010 0.000 -1.768) 2.677 12.291 ( -3.654 0.000 2.992) 4.722 12.461 ( 3.185 0.000 -7.720) 8.351 12.795 ( 1.577 0.000 4.946) 5.191 13.199 ( -3.554 0.000 -6.177) 7.127 13.256 ( 2.493 0.000 3.570) 4.354 13.422 ( 0.888 0.000 6.879) 6.936 15.902 ( 13.655 0.000 4.748) 14.457 15.927 ( 8.660 0.000 -4.582) 9.797 16.081 ( -17.948 0.000 -0.651) 17.960 16.176 ( 3.744 0.000 -4.612) 5.940 16.303 ( -4.754 0.000 9.513) 10.635 16.356 ( -5.065 0.000 -1.307) 5.231 16.657 ( -3.424 0.000 14.206) 14.613 16.681 ( 1.986 0.000 -2.506) 3.197 17.929 ( 7.248 0.000 -6.107) 9.478 18.154 ( 0.105 0.000 -2.739) 2.741 19.568 ( 5.454 0.000 -3.601) 6.536 19.659 ( -9.493 0.000 3.745) 10.205 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -7.078 0.000 -2.523) 7.514 2.059 ( -2.207 0.000 -7.067) 7.404 2.266 ( 7.668 0.000 0.661) 7.697 2.374 ( -19.438 0.000 -12.118) 22.906 2.555 ( 7.343 0.000 4.262) 8.490 2.590 ( 5.631 0.000 -2.187) 6.041 2.770 ( 8.233 0.000 -0.217) 8.236 2.819 ( -3.730 0.000 -5.016) 6.251 3.304 ( 5.925 0.000 2.981) 6.633 3.404 ( -5.289 0.000 -0.248) 5.295 3.580 ( 12.950 0.000 13.733) 18.876 3.784 ( -7.311 0.000 1.111) 7.395 4.341 ( -0.689 0.000 -4.506) 4.558 4.370 ( 1.133 0.000 -6.858) 6.951 4.512 ( 5.166 0.000 0.943) 5.252 4.553 ( -6.397 0.000 -0.054) 6.397 4.982 ( -1.567 0.000 -3.631) 3.955 5.065 ( -1.003 0.000 -3.333) 3.481 6.424 ( 2.017 0.000 4.025) 4.502 6.589 ( 0.800 0.000 -0.153) 0.815 7.098 ( -1.741 0.000 4.765) 5.073 7.461 ( 2.133 0.000 -1.871) 2.837 8.287 ( 2.323 0.000 -10.386) 10.643 8.403 ( 0.889 0.000 -7.284) 7.338 8.790 ( -7.902 0.000 5.379) 9.559 8.999 ( 6.578 0.000 1.392) 6.724 9.111 ( 0.143 0.000 -0.910) 0.921 9.146 ( -0.013 0.000 1.817) 1.817 9.297 ( -2.226 0.000 2.760) 3.546 9.579 ( 3.506 0.000 10.134) 10.723 9.873 ( 2.193 0.000 -6.190) 6.567 10.021 ( 0.106 0.000 0.781) 0.788 10.038 ( -2.783 0.000 0.937) 2.937 10.304 ( -1.907 0.000 -5.097) 5.442 10.511 ( -1.186 0.000 -3.680) 3.866 10.548 ( -3.057 0.000 0.530) 3.102 10.799 ( -4.568 0.000 -2.266) 5.099 10.825 ( 2.520 0.000 4.693) 5.327 11.153 ( 1.238 0.000 -3.920) 4.111 11.412 ( -2.465 0.000 -4.751) 5.352 11.710 ( 6.205 0.000 3.791) 7.271 11.841 ( 4.218 0.000 0.404) 4.238 12.172 ( -10.505 0.000 -3.649) 11.120 12.437 ( 3.418 0.000 -5.646) 6.600 12.864 ( -0.429 0.000 5.112) 5.130 13.075 ( -2.884 0.000 -4.481) 5.329 13.385 ( 4.516 0.000 7.106) 8.420 13.473 ( -1.805 0.000 3.295) 3.757 15.746 ( -19.980 0.000 -0.941) 20.002 15.995 ( 1.605 0.000 -1.036) 1.910 16.135 ( 5.438 0.000 0.461) 5.457 16.158 ( 0.823 0.000 -2.009) 2.171 16.296 ( -1.575 0.000 5.957) 6.161 16.359 ( 7.241 0.000 -2.122) 7.545 16.751 ( 4.724 0.000 3.279) 5.751 16.809 ( -0.798 0.000 17.641) 17.659 17.962 ( 4.846 0.000 -5.391) 7.248 18.022 ( -6.843 0.000 -8.020) 10.542 19.486 ( -11.319 0.000 -3.101) 11.736 19.728 ( 12.660 0.000 2.914) 12.991 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -15.517 0.000 1.488) 15.588 1.822 ( -21.579 0.000 -11.351) 24.382 2.065 ( 7.091 0.000 -7.335) 10.202 2.399 ( 6.142 0.000 3.231) 6.940 2.640 ( -4.452 0.000 -0.352) 4.466 2.703 ( 5.631 0.000 2.994) 6.378 2.813 ( 1.821 0.000 -10.426) 10.584 2.860 ( 11.753 0.000 0.634) 11.770 3.396 ( 0.786 0.000 7.139) 7.182 3.401 ( 4.640 0.000 -1.224) 4.799 3.660 ( -5.237 0.000 -1.077) 5.347 3.909 ( 9.799 0.000 8.839) 13.196 4.256 ( -0.180 0.000 -6.833) 6.835 4.333 ( 2.759 0.000 -4.966) 5.681 4.424 ( -7.049 0.000 -0.688) 7.082 4.634 ( 4.062 0.000 4.774) 6.269 4.924 ( -0.953 0.000 -2.053) 2.263 4.992 ( -1.958 0.000 -4.300) 4.725 6.515 ( 2.499 0.000 4.596) 5.231 6.602 ( 1.987 0.000 -1.848) 2.713 7.121 ( -1.229 0.000 3.527) 3.735 7.488 ( 3.285 0.000 -0.514) 3.325 8.215 ( 1.963 0.000 -7.423) 7.678 8.347 ( 3.080 0.000 -7.681) 8.276 8.710 ( -6.952 0.000 3.054) 7.593 9.091 ( 1.129 0.000 -1.106) 1.581 9.203 ( 9.479 0.000 4.961) 10.699 9.209 ( 3.448 0.000 3.224) 4.720 9.282 ( -3.132 0.000 3.355) 4.590 9.706 ( -2.877 0.000 2.963) 4.130 9.842 ( 3.396 0.000 -0.629) 3.453 10.011 ( -2.649 0.000 -0.152) 2.653 10.034 ( 0.878 0.000 1.532) 1.766 10.134 ( -7.992 0.000 -9.577) 12.473 10.414 ( -4.232 0.000 -2.451) 4.891 10.496 ( -3.385 0.000 0.845) 3.489 10.730 ( -0.551 0.000 -3.651) 3.692 10.818 ( -7.365 0.000 2.075) 7.652 11.215 ( 5.775 0.000 1.741) 6.032 11.372 ( 2.818 0.000 -1.545) 3.214 11.825 ( 3.312 0.000 1.187) 3.518 11.869 ( -13.126 0.000 -9.703) 16.324 11.913 ( 2.331 0.000 -0.380) 2.362 12.452 ( 3.180 0.000 -0.916) 3.309 12.900 ( -1.905 0.000 4.675) 5.048 13.010 ( -1.150 0.000 -1.237) 1.689 13.441 ( -4.017 0.000 -0.133) 4.020 13.542 ( 4.342 0.000 6.213) 7.579 15.396 ( -20.768 0.000 0.233) 20.770 15.943 ( -5.217 0.000 0.576) 5.248 16.051 ( -8.499 0.000 -2.129) 8.762 16.217 ( 6.562 0.000 -1.005) 6.638 16.463 ( 10.517 0.000 2.364) 10.779 16.495 ( 10.150 0.000 -0.879) 10.188 16.873 ( 2.823 0.000 5.475) 6.160 17.021 ( 0.457 0.000 18.138) 18.144 17.795 ( -7.470 0.000 -8.170) 11.070 17.976 ( 3.124 0.000 -3.144) 4.432 19.212 ( -12.916 0.000 -8.788) 15.622 20.016 ( 15.065 0.000 4.922) 15.849 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -22.012 0.000 5.341) 22.651 1.306 ( -24.014 0.000 -9.146) 25.697 2.214 ( 16.861 0.000 -5.212) 17.648 2.302 ( -27.607 0.000 -8.370) 28.848 2.586 ( 7.516 0.000 8.472) 11.325 2.625 ( -6.060 0.000 -12.408) 13.809 2.826 ( 3.057 0.000 5.140) 5.980 3.133 ( 15.014 0.000 -0.061) 15.014 3.469 ( 3.659 0.000 0.978) 3.788 3.548 ( 5.444 0.000 6.810) 8.718 3.643 ( 6.908 0.000 -1.474) 7.063 4.064 ( 3.271 0.000 -2.852) 4.340 4.249 ( 3.812 0.000 3.197) 4.975 4.302 ( -1.994 0.000 -2.646) 3.313 4.367 ( 1.833 0.000 -0.694) 1.960 4.693 ( -3.158 0.000 0.393) 3.182 4.912 ( 0.382 0.000 0.775) 0.864 4.947 ( 2.407 0.000 -1.065) 2.632 6.599 ( 1.331 0.000 3.538) 3.780 6.621 ( 4.254 0.000 -3.363) 5.423 7.143 ( 0.925 0.000 1.046) 1.397 7.563 ( 5.846 0.000 -0.186) 5.849 8.200 ( 3.164 0.000 -1.900) 3.690 8.334 ( 5.111 0.000 -6.328) 8.135 8.637 ( -5.936 0.000 3.388) 6.835 9.095 ( -0.726 0.000 1.421) 1.596 9.263 ( -0.701 0.000 -0.481) 0.850 9.319 ( -0.346 0.000 8.250) 8.257 9.414 ( 5.631 0.000 6.228) 8.396 9.560 ( -7.459 0.000 -6.175) 9.683 9.821 ( -15.102 0.000 -8.536) 17.347 9.943 ( -1.388 0.000 -4.282) 4.501 9.950 ( 3.864 0.000 2.927) 4.847 10.106 ( 4.422 0.000 2.709) 5.186 10.366 ( -0.663 0.000 1.117) 1.299 10.455 ( -3.148 0.000 0.759) 3.238 10.666 ( -0.555 0.000 -5.651) 5.678 10.675 ( -9.282 0.000 -1.150) 9.353 11.271 ( -6.225 0.000 2.556) 6.730 11.474 ( 8.804 0.000 1.394) 8.914 11.585 ( -3.961 0.000 -5.426) 6.718 11.841 ( 0.575 0.000 -3.216) 3.267 11.936 ( 1.211 0.000 -2.276) 2.578 12.505 ( 1.163 0.000 1.524) 1.918 12.917 ( -2.520 0.000 5.230) 5.805 12.988 ( -0.865 0.000 -0.584) 1.043 13.349 ( -4.287 0.000 -2.743) 5.090 13.663 ( 3.366 0.000 3.336) 4.739 15.066 ( -20.270 0.000 2.849) 20.470 15.872 ( -7.967 0.000 -3.606) 8.745 15.876 ( -2.507 0.000 -0.321) 2.528 16.317 ( 4.926 0.000 1.008) 5.028 16.650 ( 9.354 0.000 0.695) 9.380 16.663 ( 10.460 0.000 -0.619) 10.478 16.952 ( -0.234 0.000 3.838) 3.845 17.214 ( -0.553 0.000 13.579) 13.590 17.620 ( -3.864 0.000 -4.575) 5.988 18.014 ( 2.981 0.000 1.727) 3.445 18.860 ( -14.092 0.000 -11.794) 18.376 20.320 ( 14.258 0.000 3.829) 14.763 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -24.248 0.000 11.290) 26.748 0.827 ( -24.652 0.000 -1.664) 24.708 1.619 ( -41.812 0.000 -3.822) 41.986 2.349 ( -1.560 0.000 -13.227) 13.318 2.480 ( 11.485 0.000 -1.124) 11.539 2.825 ( 6.699 0.000 10.199) 12.203 2.924 ( 0.498 0.000 6.845) 6.863 3.190 ( -0.925 0.000 -8.278) 8.330 3.599 ( 12.093 0.000 -2.123) 12.278 3.690 ( 6.628 0.000 -1.081) 6.716 3.862 ( 13.197 0.000 5.426) 14.269 4.061 ( 0.873 0.000 0.259) 0.911 4.249 ( -1.043 0.000 -2.391) 2.609 4.376 ( 3.069 0.000 5.874) 6.628 4.403 ( 2.468 0.000 -0.267) 2.482 4.556 ( -6.796 0.000 -6.358) 9.307 4.944 ( 0.775 0.000 2.452) 2.572 5.021 ( 3.834 0.000 1.721) 4.203 6.634 ( -0.634 0.000 1.775) 1.885 6.676 ( 7.332 0.000 -3.870) 8.291 7.183 ( 3.537 0.000 -0.736) 3.612 7.668 ( 7.667 0.000 -1.965) 7.915 8.281 ( 5.532 0.000 2.860) 6.228 8.372 ( 6.205 0.000 -3.728) 7.239 8.594 ( -4.932 0.000 5.002) 7.024 9.080 ( -4.207 0.000 0.161) 4.211 9.219 ( -3.627 0.000 -0.775) 3.709 9.282 ( -13.829 0.000 -0.591) 13.842 9.368 ( -4.347 0.000 6.767) 8.043 9.435 ( -17.590 0.000 -8.572) 19.568 9.606 ( 6.013 0.000 3.495) 6.955 9.965 ( 7.381 0.000 -0.048) 7.381 10.022 ( 2.159 0.000 1.359) 2.551 10.203 ( 4.101 0.000 -1.214) 4.277 10.353 ( -9.048 0.000 -1.371) 9.152 10.376 ( -0.976 0.000 0.700) 1.202 10.548 ( -1.454 0.000 -2.595) 2.974 10.599 ( 0.239 0.000 -4.222) 4.229 11.131 ( -6.939 0.000 -0.061) 6.940 11.584 ( -2.454 0.000 6.867) 7.292 11.675 ( 11.182 0.000 2.986) 11.574 11.799 ( 1.114 0.000 -5.023) 5.145 11.907 ( 0.532 0.000 -4.004) 4.039 12.480 ( -4.572 0.000 -1.492) 4.809 12.945 ( -2.170 0.000 5.845) 6.235 12.954 ( -1.156 0.000 -2.115) 2.411 13.262 ( -1.347 0.000 -2.947) 3.240 13.732 ( 2.432 0.000 0.162) 2.437 14.792 ( -18.105 0.000 6.055) 19.091 15.724 ( -4.727 0.000 -2.595) 5.392 15.853 ( 0.748 0.000 -1.486) 1.664 16.404 ( 3.897 0.000 1.293) 4.106 16.790 ( 6.747 0.000 0.100) 6.747 16.814 ( 8.096 0.000 -0.940) 8.151 16.959 ( -1.877 0.000 1.160) 2.207 17.294 ( -3.478 0.000 6.016) 6.949 17.558 ( -0.254 0.000 -0.963) 0.996 18.098 ( 4.635 0.000 -4.114) 6.198 18.519 ( -13.526 0.000 -0.154) 13.527 20.563 ( 10.908 0.000 0.724) 10.932 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -19.921 0.000 16.955) 26.159 0.569 ( -23.098 0.000 17.457) 28.953 0.962 ( -41.286 0.000 22.585) 47.059 2.184 ( -1.797 0.000 -5.974) 6.238 2.661 ( 10.962 0.000 -3.612) 11.542 2.924 ( -2.838 0.000 -8.065) 8.550 3.003 ( -1.872 0.000 8.372) 8.578 3.129 ( 3.710 0.000 4.880) 6.130 3.727 ( 5.231 0.000 -9.904) 11.201 3.756 ( 9.849 0.000 -4.114) 10.673 4.098 ( 7.144 0.000 2.075) 7.439 4.122 ( 0.513 0.000 7.200) 7.218 4.192 ( -2.540 0.000 -3.011) 3.939 4.354 ( -6.675 0.000 -6.288) 9.170 4.438 ( 1.457 0.000 0.846) 1.685 4.486 ( 3.098 0.000 3.121) 4.397 4.982 ( -0.051 0.000 2.646) 2.647 5.081 ( 1.657 0.000 0.244) 1.675 6.634 ( -0.982 0.000 1.232) 1.575 6.766 ( 7.616 0.000 -3.167) 8.248 7.229 ( 3.147 0.000 -1.942) 3.698 7.758 ( 7.527 0.000 -5.726) 9.457 8.411 ( 3.741 0.000 1.624) 4.079 8.433 ( 4.566 0.000 -3.206) 5.579 8.596 ( -3.009 0.000 7.706) 8.273 8.895 ( -9.761 0.000 -3.929) 10.522 9.076 ( -11.522 0.000 -5.841) 12.918 9.151 ( -7.404 0.000 4.578) 8.705 9.153 ( -2.708 0.000 0.732) 2.805 9.369 ( -4.893 0.000 6.394) 8.051 9.729 ( 1.164 0.000 6.911) 7.008 10.059 ( -0.036 0.000 1.255) 1.256 10.094 ( -3.584 0.000 -11.176) 11.737 10.135 ( 8.716 0.000 2.811) 9.158 10.299 ( 0.551 0.000 2.453) 2.514 10.323 ( -3.695 0.000 -1.883) 4.147 10.514 ( 0.352 0.000 -3.909) 3.924 10.590 ( 1.550 0.000 -0.697) 1.699 11.076 ( -1.661 0.000 1.603) 2.309 11.579 ( -9.028 0.000 8.547) 12.432 11.756 ( 0.680 0.000 -2.448) 2.540 11.909 ( 3.809 0.000 -0.670) 3.867 11.913 ( 12.174 0.000 -0.090) 12.174 12.340 ( -7.335 0.000 -2.902) 7.888 12.930 ( 2.087 0.000 -1.956) 2.860 12.953 ( -3.712 0.000 3.047) 4.802 13.237 ( 1.142 0.000 -1.676) 2.028 13.749 ( 1.450 0.000 -2.933) 3.272 14.613 ( -13.143 0.000 8.973) 15.914 15.661 ( -1.182 0.000 0.314) 1.223 15.855 ( 2.168 0.000 -3.052) 3.744 16.476 ( 3.413 0.000 0.262) 3.423 16.877 ( 3.430 0.000 -0.215) 3.437 16.905 ( 4.203 0.000 -1.184) 4.367 16.934 ( -1.948 0.000 0.956) 2.170 17.255 ( -6.285 0.000 2.279) 6.685 17.562 ( 1.779 0.000 -2.499) 3.068 17.904 ( -0.285 0.000 -28.030) 28.032 18.577 ( -3.122 0.000 26.904) 27.084 20.688 ( 5.714 0.000 -3.547) 6.726 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.496 11.757 18.537) 21.957 0.750 ( -3.519 15.038 20.459) 25.634 1.295 ( -2.477 22.303 36.726) 43.039 2.183 ( 6.160 1.221 -4.324) 7.624 2.645 ( -3.432 -4.278 -14.608) 15.603 2.804 ( 3.704 1.924 -0.004) 4.174 3.080 ( -5.267 2.196 6.746) 8.836 3.254 ( 3.497 -3.190 9.578) 10.684 3.609 ( 1.355 -3.402 -11.872) 12.424 3.800 ( 1.397 -1.922 -4.865) 5.414 3.929 ( -1.124 -9.908 -9.945) 14.083 4.179 ( -0.232 -2.485 2.958) 3.870 4.186 ( -1.836 0.693 3.270) 3.814 4.266 ( -2.277 2.528 -3.547) 4.915 4.480 ( 0.861 0.059 1.468) 1.703 4.542 ( 1.445 -1.638 4.485) 4.989 4.976 ( -1.598 -1.449 2.073) 2.992 5.046 ( -0.044 -3.701 -0.591) 3.748 6.656 ( -1.417 2.075 0.935) 2.681 6.815 ( 3.002 -1.732 -1.764) 3.889 7.207 ( 0.670 -2.537 -1.760) 3.160 7.700 ( 1.640 -4.708 -8.147) 9.552 8.346 ( -5.011 -1.951 -4.653) 7.112 8.386 ( 3.174 -4.513 -4.407) 7.062 8.631 ( -4.469 -1.213 5.556) 7.233 8.800 ( 1.913 -2.516 0.884) 3.281 9.028 ( 1.599 -0.210 0.687) 1.753 9.094 ( 0.010 1.052 2.439) 2.656 9.268 ( 3.875 3.742 5.428) 7.647 9.383 ( -5.149 2.043 3.745) 6.687 9.746 ( -0.759 -4.955 7.447) 8.977 9.952 ( 3.010 -3.772 -3.623) 6.035 10.081 ( -0.720 0.809 1.285) 1.681 10.285 ( -4.877 6.790 0.297) 8.366 10.325 ( 4.667 -0.061 1.559) 4.921 10.403 ( 0.625 3.591 3.612) 5.132 10.482 ( -0.273 2.236 -5.386) 5.838 10.653 ( 2.050 3.328 1.567) 4.211 11.084 ( 1.042 1.377 3.297) 3.722 11.502 ( -5.855 -1.477 4.329) 7.430 11.832 ( 3.719 0.126 0.554) 3.762 11.915 ( -3.778 1.180 -4.530) 6.016 12.102 ( 0.520 4.052 -3.776) 5.563 12.241 ( 6.291 -3.841 2.457) 7.770 12.905 ( -4.546 1.896 0.468) 4.947 12.996 ( 1.812 6.946 -1.771) 7.394 13.224 ( 1.334 -2.067 -0.394) 2.492 13.706 ( 0.263 -0.736 -5.750) 5.802 14.666 ( -4.816 9.360 10.688) 15.001 15.658 ( 2.039 -3.015 3.780) 5.248 15.802 ( 0.507 -3.856 -2.526) 4.638 16.432 ( 1.485 -7.001 -0.672) 7.189 16.850 ( -2.061 -5.421 -0.893) 5.868 16.905 ( 2.057 -0.037 -5.960) 6.305 16.978 ( -3.474 0.105 -1.235) 3.689 17.112 ( -2.192 -2.511 -1.042) 3.493 17.501 ( 1.014 2.931 -5.166) 6.026 17.720 ( 2.933 8.363 -18.152) 20.199 18.907 ( -0.159 2.338 27.599) 27.698 20.608 ( -0.220 -6.022 -7.679) 9.761 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 5.056 13.151 16.477) 21.680 1.074 ( 8.336 5.427 23.615) 25.625 1.834 ( 14.534 13.354 30.613) 36.424 2.240 ( 8.224 1.343 -10.849) 13.680 2.415 ( -1.431 -3.018 -16.425) 16.761 2.888 ( -0.219 -0.620 11.155) 11.174 3.035 ( -8.191 1.688 5.965) 10.272 3.388 ( -0.114 -0.729 6.508) 6.550 3.447 ( -2.208 -2.595 -13.631) 14.050 3.659 ( -5.624 -3.964 -8.271) 10.759 3.826 ( -1.932 -6.546 -5.672) 8.874 4.070 ( -4.347 -1.388 -6.817) 8.203 4.212 ( 0.424 0.144 1.848) 1.901 4.296 ( 0.328 -0.909 5.540) 5.623 4.499 ( -0.675 0.733 1.475) 1.780 4.576 ( -0.933 -2.859 -0.065) 3.008 4.970 ( -1.550 -1.088 2.489) 3.128 5.034 ( -1.210 -2.024 0.271) 2.374 6.622 ( -3.263 1.037 -0.730) 3.501 6.804 ( -2.259 -1.791 -0.769) 2.983 7.184 ( -1.489 -1.713 -0.688) 2.372 7.596 ( -1.329 -2.451 -8.326) 8.781 8.214 ( -2.462 -2.772 -3.316) 4.974 8.407 ( 2.767 -5.445 -1.769) 6.358 8.630 ( -2.718 -1.768 5.001) 5.960 8.903 ( 8.048 -3.664 -0.915) 8.890 9.007 ( -0.271 -1.365 0.227) 1.410 9.208 ( 5.444 1.211 0.856) 5.643 9.340 ( -3.113 3.460 1.986) 5.060 9.499 ( 11.809 2.370 9.394) 15.274 9.773 ( -4.625 -1.894 3.738) 6.241 9.967 ( 3.947 -3.337 -4.459) 6.826 10.077 ( -2.604 -0.360 1.944) 3.269 10.227 ( -3.867 6.042 2.290) 7.530 10.387 ( 2.039 4.049 -6.474) 7.903 10.409 ( -7.547 1.937 3.541) 8.559 10.431 ( 5.826 -0.505 1.650) 6.076 10.741 ( 4.209 2.613 4.056) 6.403 11.198 ( 3.037 2.228 8.502) 9.299 11.474 ( -1.071 -2.900 2.113) 3.744 11.704 ( -8.281 2.876 -7.850) 11.767 11.947 ( 5.278 1.453 2.596) 6.058 12.081 ( -1.241 -3.041 -0.494) 3.322 12.369 ( 5.823 -2.497 -1.048) 6.422 12.830 ( -2.955 6.280 -0.905) 6.999 13.012 ( 1.677 5.897 -0.431) 6.146 13.256 ( 2.392 -1.562 0.416) 2.887 13.618 ( -1.120 -0.708 -8.098) 8.206 14.781 ( 2.647 8.680 11.856) 14.930 15.708 ( -1.586 -4.363 2.481) 5.264 15.841 ( 6.950 0.525 -0.330) 6.978 16.419 ( -2.979 -7.892 1.423) 8.554 16.687 ( -6.844 -6.217 -12.544) 15.584 16.782 ( -4.525 -8.165 -3.887) 10.112 17.009 ( 2.417 0.856 2.303) 3.446 17.121 ( 2.927 7.697 -3.170) 8.824 17.449 ( 3.374 1.215 -7.154) 8.003 17.638 ( 4.734 7.740 -8.333) 12.319 19.212 ( -1.329 0.561 26.374) 26.414 20.445 ( -5.598 -5.711 -11.415) 13.938 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 8.640 11.992 14.305) 20.569 1.516 ( 11.971 -0.391 21.726) 24.809 2.143 ( -0.338 -1.946 -14.387) 14.522 2.249 ( 3.485 2.119 -12.464) 13.115 2.335 ( 10.180 3.730 10.674) 15.214 2.946 ( -10.136 0.903 6.850) 12.267 3.079 ( 2.325 -5.737 14.252) 15.539 3.223 ( -5.359 -1.906 -8.674) 10.373 3.361 ( -3.085 5.989 -6.890) 9.636 3.562 ( -2.310 -2.802 3.245) 4.870 3.711 ( -4.595 -5.824 -3.454) 8.183 3.909 ( -5.583 -2.957 -6.691) 9.203 4.250 ( 2.226 0.309 1.476) 2.688 4.370 ( 0.908 -1.218 4.752) 4.989 4.487 ( -2.006 -1.195 -1.593) 2.826 4.526 ( -1.565 -1.333 -1.355) 2.462 4.975 ( -1.128 -0.109 1.291) 1.718 5.029 ( -0.625 -2.220 2.580) 3.461 6.530 ( -4.637 0.510 -2.865) 5.475 6.744 ( -3.856 -0.912 0.282) 3.972 7.143 ( -3.132 -1.114 0.175) 3.329 7.488 ( -0.514 -1.165 -7.114) 7.227 8.214 ( 3.886 -4.855 0.596) 6.247 8.416 ( -1.236 -8.885 0.827) 9.009 8.657 ( -1.401 -0.859 5.423) 5.667 8.972 ( 3.763 0.380 -1.726) 4.157 9.070 ( 4.968 -4.783 -0.879) 6.952 9.263 ( 1.685 1.556 -0.425) 2.333 9.352 ( 0.938 3.728 1.595) 4.162 9.678 ( -5.336 -0.708 -1.361) 5.552 9.822 ( 12.139 0.782 6.786) 13.929 9.981 ( 2.905 -3.151 -3.903) 5.796 10.044 ( -3.514 0.626 2.927) 4.616 10.155 ( -5.379 0.925 -0.743) 5.508 10.307 ( -4.510 2.986 -1.053) 5.510 10.404 ( 5.645 9.262 -1.526) 10.953 10.576 ( 5.770 -2.285 4.682) 7.774 10.872 ( 4.227 2.209 5.981) 7.650 11.278 ( -3.910 0.871 4.082) 5.719 11.469 ( -6.195 -0.955 -6.165) 8.792 11.578 ( 5.577 -3.497 3.662) 7.533 11.984 ( -6.744 -7.409 0.540) 10.033 12.102 ( 7.719 7.215 0.095) 10.567 12.418 ( 3.655 0.722 -2.517) 4.496 12.802 ( 0.378 8.402 -1.040) 8.475 13.052 ( 1.571 3.230 3.145) 4.774 13.305 ( 2.636 -0.633 0.222) 2.720 13.484 ( -2.397 -0.848 -9.491) 9.826 15.013 ( 8.086 6.700 11.443) 15.531 15.696 ( 0.387 -4.334 -1.351) 4.556 15.985 ( 6.873 3.243 3.419) 8.333 16.380 ( -4.789 -8.589 3.115) 10.316 16.442 ( -3.540 -6.866 -13.474) 15.531 16.637 ( -5.665 -11.326 -5.196) 13.689 17.030 ( -6.400 13.240 0.280) 14.708 17.101 ( 1.311 10.051 -0.866) 10.173 17.519 ( 11.185 -5.461 -2.333) 12.664 17.659 ( 7.414 3.729 -5.759) 10.101 19.461 ( -3.420 -1.491 22.765) 23.068 20.171 ( -8.947 -5.639 -13.766) 17.359 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.716 9.408 10.471) 16.053 1.912 ( 5.406 -5.272 2.421) 7.929 2.012 ( 7.664 -5.583 0.091) 9.483 2.222 ( 8.079 4.932 -5.763) 11.082 2.424 ( -1.091 -2.889 -3.932) 5.000 2.816 ( -12.433 -3.863 5.184) 14.013 3.070 ( -3.481 5.336 -8.871) 10.922 3.176 ( -5.812 2.281 3.147) 6.992 3.346 ( 2.966 -3.150 8.731) 9.744 3.472 ( -7.621 -5.877 -5.509) 11.089 3.648 ( -5.422 -2.592 -3.610) 7.011 3.769 ( -3.553 0.451 4.122) 5.460 4.322 ( 2.696 -2.740 1.068) 3.989 4.384 ( -0.698 -3.372 -1.191) 3.644 4.456 ( 3.553 0.545 -1.389) 3.853 4.524 ( -0.156 3.653 1.610) 3.995 4.973 ( -0.425 -3.009 1.396) 3.344 5.060 ( 0.575 -1.735 1.887) 2.627 6.425 ( -3.268 0.844 -2.837) 4.409 6.693 ( -3.189 0.671 0.915) 3.384 7.085 ( -3.569 -1.689 0.348) 3.964 7.421 ( 1.355 0.033 -5.364) 5.533 8.315 ( 6.046 -6.076 -0.696) 8.600 8.391 ( -3.059 -11.844 2.399) 12.465 8.703 ( -1.779 -0.725 6.979) 7.238 9.036 ( 4.235 0.747 0.913) 4.396 9.111 ( 1.773 -1.899 0.130) 2.601 9.238 ( -2.720 1.238 -3.769) 4.810 9.348 ( -3.397 1.379 0.801) 3.753 9.580 ( -3.127 1.368 -3.814) 5.118 9.929 ( -2.676 -1.003 -0.428) 2.890 10.012 ( 1.193 1.938 -0.098) 2.278 10.050 ( -1.207 -1.933 3.601) 4.261 10.150 ( 8.054 -3.677 -1.781) 9.031 10.286 ( 4.687 5.003 0.195) 6.858 10.507 ( 6.338 8.492 0.138) 10.597 10.702 ( 3.381 -1.024 3.034) 4.657 11.007 ( 1.363 4.634 6.868) 8.396 11.184 ( -4.121 -3.580 -4.076) 6.813 11.356 ( -0.989 0.728 -1.954) 2.308 11.649 ( -3.631 -11.418 0.966) 12.021 11.885 ( -2.292 -4.687 -1.700) 5.488 12.246 ( 7.034 11.262 2.524) 13.516 12.465 ( 5.221 3.483 -2.167) 6.640 12.795 ( 0.569 7.934 -1.713) 8.137 13.147 ( 2.083 0.965 7.797) 8.128 13.330 ( -2.189 -0.990 -7.403) 7.783 13.338 ( 0.812 -0.489 -2.292) 2.480 15.295 ( 10.734 3.073 8.704) 14.157 15.713 ( 3.756 -4.300 -0.780) 5.762 16.113 ( 2.596 0.610 2.401) 3.588 16.263 ( 2.243 -2.380 -14.392) 14.759 16.334 ( -8.238 -11.397 7.323) 15.855 16.513 ( -2.158 -7.403 -2.396) 8.075 16.864 ( -10.844 15.591 -0.738) 19.006 17.088 ( -3.777 14.426 0.091) 14.913 17.703 ( 12.041 -4.392 -4.814) 13.691 17.779 ( 11.607 -3.288 1.696) 12.183 19.618 ( -5.758 -3.467 17.275) 18.536 19.850 ( -9.105 -5.986 -14.048) 17.778 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 4.685 5.871 4.308) 8.659 1.857 ( 2.693 -11.585 -7.501) 14.062 2.229 ( 13.542 3.716 -5.671) 15.144 2.336 ( -1.602 -4.949 -4.304) 6.751 2.437 ( 6.787 -2.948 10.876) 13.155 2.731 ( -4.372 -6.814 10.459) 13.226 2.868 ( -5.928 8.535 -9.673) 14.197 3.140 ( -4.465 0.619 2.499) 5.155 3.215 ( -9.833 -2.497 -5.427) 11.505 3.401 ( -9.788 0.206 -9.691) 13.775 3.500 ( -0.519 -3.530 6.948) 7.811 3.785 ( -4.533 -3.598 5.056) 7.685 4.318 ( 1.394 -1.563 -1.801) 2.762 4.444 ( 3.158 -2.784 -0.102) 4.211 4.494 ( 2.803 1.227 -2.410) 3.895 4.559 ( 2.514 4.666 1.767) 5.587 4.989 ( 0.160 -5.398 0.807) 5.460 5.083 ( 0.741 -1.786 -0.049) 1.934 6.368 ( -0.840 1.292 -0.901) 1.785 6.647 ( -3.135 1.652 0.098) 3.545 7.055 ( -1.726 -1.505 2.634) 3.491 7.411 ( 3.693 0.711 -3.808) 5.352 8.313 ( 0.835 -9.271 -6.623) 11.424 8.425 ( 1.232 -8.288 2.524) 8.751 8.748 ( -4.254 -3.542 8.860) 10.447 9.080 ( -6.187 1.172 -0.327) 6.305 9.121 ( 3.500 -2.195 0.705) 4.191 9.193 ( 1.561 0.107 0.216) 1.580 9.276 ( -3.861 2.401 -0.818) 4.620 9.467 ( -3.788 5.206 -2.227) 6.813 9.893 ( 0.489 -1.893 -2.861) 3.465 10.020 ( 0.224 0.920 0.539) 1.090 10.048 ( -3.190 -4.234 2.799) 5.995 10.267 ( 9.628 -1.238 -3.629) 10.364 10.438 ( 7.750 7.763 3.159) 11.415 10.578 ( 2.085 2.976 -1.204) 3.828 10.763 ( 1.738 1.013 0.655) 2.116 10.972 ( -3.965 2.783 -3.169) 5.788 11.203 ( 1.473 -2.472 4.332) 5.200 11.352 ( 2.717 -2.695 -1.653) 4.169 11.546 ( -5.328 -11.570 -1.801) 12.864 11.840 ( -0.991 0.550 -1.536) 1.909 12.376 ( 4.300 10.552 2.256) 11.616 12.512 ( 4.385 3.172 -5.162) 7.479 12.799 ( 0.944 7.289 1.400) 7.482 13.215 ( -0.890 -2.279 -3.301) 4.109 13.292 ( 0.216 0.404 9.018) 9.030 13.315 ( 0.577 0.075 -3.792) 3.837 15.546 ( 10.827 -4.066 2.484) 11.829 15.821 ( 7.449 -2.742 3.145) 8.538 16.081 ( -6.237 -11.999 -0.646) 13.539 16.188 ( 4.748 1.488 -8.278) 9.659 16.280 ( -9.472 -5.714 6.298) 12.730 16.533 ( 4.653 6.059 0.700) 7.672 16.698 ( -9.560 10.683 4.696) 15.086 16.981 ( -7.167 16.716 -1.913) 18.288 17.814 ( 9.824 -4.099 -6.384) 12.413 18.015 ( 9.568 -4.976 3.648) 11.385 19.577 ( -4.636 -6.966 -11.109) 13.908 19.665 ( -7.853 -5.036 10.561) 14.091 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.963 2.308 -3.198) 4.060 1.852 ( 4.967 -14.524 -4.581) 16.019 2.316 ( 2.973 -2.599 0.138) 3.951 2.371 ( 7.571 2.444 -2.908) 8.471 2.562 ( 1.741 -3.333 5.066) 6.309 2.654 ( -5.806 9.161 -5.636) 12.223 2.846 ( -14.075 -5.186 -8.207) 17.098 2.979 ( 9.714 -10.035 12.045) 18.443 3.105 ( -8.680 4.609 -11.103) 14.828 3.292 ( 5.529 3.841 9.016) 11.252 3.505 ( -3.947 -0.699 0.352) 4.024 3.762 ( -3.907 -7.365 4.086) 9.285 4.327 ( 0.602 -1.923 -0.896) 2.205 4.440 ( 0.507 -0.429 -4.420) 4.470 4.504 ( 2.931 2.487 -4.025) 5.566 4.614 ( 0.219 1.998 1.609) 2.575 4.978 ( -0.783 -5.911 -1.853) 6.244 5.083 ( 0.262 -1.747 -1.515) 2.327 6.370 ( 0.692 0.825 1.239) 1.642 6.600 ( -1.547 0.785 -0.753) 1.891 7.081 ( -1.194 0.713 5.253) 5.434 7.444 ( 3.950 0.619 -2.401) 4.664 8.236 ( 0.448 -9.990 -7.941) 12.770 8.448 ( 1.755 -3.967 -2.737) 5.129 8.763 ( -6.355 -5.999 9.178) 12.673 8.988 ( -3.111 0.560 0.508) 3.202 9.130 ( -2.493 0.745 -2.795) 3.819 9.192 ( 0.750 -0.444 -0.792) 1.177 9.234 ( 0.159 -0.099 -0.864) 0.884 9.496 ( 2.247 6.007 7.650) 9.983 9.868 ( 1.308 -2.567 -4.363) 5.228 10.020 ( -2.627 -2.783 1.286) 4.037 10.029 ( 0.050 -0.079 0.570) 0.578 10.362 ( 4.716 0.434 -2.514) 5.362 10.546 ( 1.567 3.048 -1.461) 3.726 10.592 ( 1.534 5.488 1.892) 6.005 10.773 ( 0.271 2.078 -1.506) 2.581 10.911 ( 0.537 0.080 -1.541) 1.634 11.190 ( -3.682 -1.668 -2.382) 4.692 11.372 ( 0.592 -12.062 -4.983) 13.064 11.491 ( 0.783 -3.761 2.377) 4.518 11.838 ( 0.871 1.816 1.266) 2.379 12.429 ( -0.309 10.490 1.045) 10.547 12.498 ( 3.710 4.936 -7.452) 9.678 12.852 ( 0.348 5.286 4.463) 6.927 13.187 ( -1.211 -1.648 -3.789) 4.306 13.258 ( 0.362 0.547 1.831) 1.945 13.409 ( 0.508 -1.347 6.208) 6.372 15.723 ( 10.388 -10.096 -1.992) 14.622 15.948 ( -8.652 -14.611 0.069) 16.981 15.987 ( 3.430 -3.818 2.693) 5.796 16.137 ( -10.087 0.091 4.196) 10.925 16.236 ( 7.951 7.219 -2.181) 10.959 16.598 ( -1.652 11.297 4.780) 12.378 16.724 ( -0.056 6.778 10.922) 12.854 16.832 ( -4.294 13.937 -4.014) 15.126 17.885 ( 7.181 -4.296 -6.155) 10.388 18.117 ( 0.291 -3.793 -1.846) 4.229 19.485 ( 4.787 -8.338 -3.838) 10.352 19.601 ( -9.246 -5.836 3.395) 11.449 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -5.256 0.579 -4.005) 6.633 1.904 ( 5.678 -9.769 -3.110) 11.719 2.264 ( -15.659 -6.989 -10.410) 20.061 2.356 ( 2.404 2.388 -2.074) 3.972 2.591 ( 0.958 4.675 2.238) 5.271 2.597 ( 2.796 -1.843 6.454) 7.271 2.781 ( 6.892 -0.637 -1.415) 7.064 2.887 ( -0.672 7.513 -9.348) 12.012 3.235 ( 7.964 -6.640 5.149) 11.577 3.421 ( -3.271 1.378 -0.992) 3.685 3.544 ( 8.844 -3.260 10.197) 13.887 3.720 ( -5.525 -5.987 1.188) 8.233 4.303 ( -0.599 -3.367 -2.847) 4.450 4.395 ( 1.376 0.814 -5.114) 5.358 4.496 ( 0.639 0.099 -2.977) 3.046 4.587 ( -3.560 2.391 -0.165) 4.292 4.937 ( -0.414 -4.276 -2.313) 4.879 5.052 ( -0.960 -1.365 -2.811) 3.269 6.416 ( 1.885 -0.604 2.929) 3.535 6.580 ( 0.629 -0.957 -1.637) 1.997 7.122 ( -1.948 2.472 5.992) 6.768 7.475 ( 2.056 1.359 -1.061) 2.683 8.157 ( 1.166 -9.762 -7.319) 12.257 8.421 ( 1.662 -0.723 -6.782) 7.020 8.740 ( -7.432 -5.092 6.439) 11.074 9.014 ( 4.350 -1.223 2.170) 5.013 9.077 ( 1.619 1.243 -3.617) 4.153 9.192 ( 0.850 2.327 0.756) 2.590 9.245 ( -1.408 -4.199 2.608) 5.140 9.643 ( 2.530 5.197 8.944) 10.649 9.828 ( 0.840 -4.097 -5.594) 6.984 9.997 ( -1.253 -2.022 0.907) 2.546 10.041 ( 0.311 0.845 0.855) 1.241 10.336 ( -2.659 2.052 -5.301) 6.276 10.544 ( 0.605 1.043 -0.964) 1.544 10.577 ( -4.357 4.929 -0.913) 6.642 10.741 ( -3.717 -2.002 -0.618) 4.267 10.948 ( 2.559 7.797 0.514) 8.223 11.089 ( -1.068 -5.580 -3.812) 6.842 11.305 ( 2.401 -10.958 -7.108) 13.281 11.575 ( 1.986 -5.173 5.777) 8.004 11.867 ( 0.536 -1.431 0.148) 1.535 12.369 ( -5.853 15.586 -2.973) 16.913 12.491 ( 3.621 5.379 -4.098) 7.670 12.902 ( -0.567 3.483 4.376) 5.622 13.088 ( -2.656 1.245 -4.075) 5.021 13.370 ( 4.399 -1.485 6.854) 8.279 13.449 ( -1.861 -2.491 2.804) 4.187 15.723 ( -14.914 -4.695 -0.867) 15.660 15.882 ( -8.979 -9.116 1.722) 12.911 15.893 ( 9.598 -8.686 -3.413) 13.388 16.215 ( 5.328 -5.723 5.362) 9.481 16.379 ( 6.680 9.901 1.935) 12.100 16.539 ( -7.625 13.424 0.098) 15.439 16.808 ( 1.853 5.658 8.065) 10.025 16.909 ( 5.417 9.627 7.844) 13.548 17.906 ( 2.746 -5.292 -5.927) 8.407 18.005 ( -5.101 -1.874 -6.386) 8.385 19.424 ( -10.491 -6.223 -3.565) 12.708 19.646 ( 12.673 -8.285 2.750) 15.389 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -10.663 2.822 -1.842) 11.183 1.774 ( -20.549 -1.668 -8.783) 22.409 2.033 ( 10.171 -2.757 -4.784) 11.573 2.402 ( 3.439 -0.095 2.815) 4.445 2.660 ( -6.011 0.753 6.189) 8.660 2.721 ( 5.323 -0.310 4.175) 6.772 2.810 ( 2.486 -0.773 -10.183) 10.511 2.876 ( 10.130 4.448 -5.925) 12.550 3.360 ( 4.029 -3.842 -0.842) 5.631 3.429 ( 2.761 2.296 5.157) 6.284 3.607 ( -4.313 -4.898 -1.839) 6.780 3.809 ( 8.543 -8.522 7.864) 14.403 4.250 ( -0.104 -0.573 -5.322) 5.353 4.367 ( -0.286 0.415 -2.921) 2.964 4.426 ( -2.969 1.692 -2.298) 4.118 4.575 ( 1.327 -5.169 1.670) 5.591 4.930 ( 1.217 -0.135 0.161) 1.235 4.985 ( -2.308 -0.627 -3.897) 4.573 6.500 ( 3.045 -1.347 3.902) 5.130 6.579 ( 2.293 -2.238 -2.679) 4.176 7.144 ( -2.480 2.346 3.783) 5.095 7.503 ( 2.485 1.526 0.078) 2.917 8.117 ( 2.478 -7.918 -4.463) 9.421 8.361 ( 1.950 -0.011 -7.780) 8.020 8.677 ( -6.845 -3.399 4.285) 8.762 9.065 ( 0.381 -2.371 0.188) 2.408 9.177 ( 9.846 -0.348 0.536) 9.866 9.243 ( -3.493 -2.997 5.250) 6.982 9.258 ( 4.839 1.635 1.829) 5.425 9.682 ( -4.479 -3.820 -2.963) 6.590 9.841 ( 3.529 1.614 3.391) 5.153 10.011 ( 1.824 -0.269 1.476) 2.362 10.051 ( -1.245 1.966 0.947) 2.513 10.163 ( -7.918 1.938 -7.622) 11.160 10.450 ( -7.342 2.276 -1.326) 7.800 10.542 ( -0.113 4.872 -1.322) 5.050 10.637 ( -5.356 -5.312 -2.562) 7.967 10.888 ( -5.670 3.717 -2.832) 7.347 11.154 ( 6.204 -3.083 1.637) 7.118 11.331 ( 7.796 -6.735 -2.964) 10.721 11.654 ( -2.028 -3.803 4.276) 6.071 11.840 ( -0.305 -4.836 -3.416) 5.929 12.205 ( -6.150 17.973 -5.021) 19.648 12.510 ( 1.421 5.148 -0.456) 5.360 12.932 ( -1.746 3.002 3.923) 5.240 13.030 ( -0.806 1.993 -0.929) 2.342 13.417 ( -3.533 -2.413 -0.140) 4.281 13.525 ( 4.533 -1.821 5.904) 7.663 15.417 ( -18.659 2.098 -0.520) 18.783 15.769 ( -6.433 -9.705 0.791) 11.671 16.027 ( 8.560 -11.886 -1.396) 14.714 16.273 ( -9.860 12.697 0.624) 16.088 16.417 ( 8.044 -6.004 1.216) 10.111 16.589 ( 6.446 6.395 3.967) 9.908 16.933 ( 3.263 5.151 2.924) 6.762 17.120 ( 3.982 10.370 14.492) 18.259 17.763 ( -6.775 -3.261 -6.959) 10.245 17.942 ( 2.038 -3.168 -3.069) 4.859 19.161 ( -11.484 -4.971 -9.417) 15.661 19.937 ( 15.462 -8.025 4.776) 18.063 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -16.525 1.883 -4.125) 17.136 1.328 ( -22.491 7.973 -1.701) 23.923 2.226 ( 15.000 1.112 -3.941) 15.549 2.376 ( -24.012 6.336 -6.080) 25.567 2.549 ( 5.807 -2.821 7.607) 9.977 2.632 ( -6.097 0.658 -10.532) 12.188 2.850 ( 3.968 1.280 4.383) 6.050 3.105 ( 15.301 -2.192 -0.927) 15.485 3.399 ( 1.991 -6.233 0.740) 6.585 3.555 ( 4.785 -1.204 0.404) 4.951 3.613 ( 8.484 -2.144 1.562) 8.889 4.016 ( 6.068 -5.677 5.539) 9.986 4.191 ( 1.085 -1.369 -4.302) 4.643 4.288 ( -3.627 -1.718 -1.706) 4.361 4.420 ( 2.706 2.496 -1.718) 4.062 4.620 ( -0.762 -6.143 2.766) 6.780 4.902 ( -1.367 -1.007 -3.373) 3.776 4.975 ( 2.276 1.630 1.802) 3.329 6.588 ( 3.311 -1.222 0.555) 3.573 6.608 ( 3.989 -1.051 -0.258) 4.133 7.135 ( -0.788 -0.289 0.466) 0.960 7.562 ( 4.416 -0.015 -0.379) 4.432 8.145 ( 3.897 -4.990 0.248) 6.336 8.323 ( 3.550 -1.129 -6.337) 7.351 8.624 ( -5.371 -1.495 4.714) 7.301 9.069 ( -0.921 -2.230 0.929) 2.585 9.237 ( -2.570 -3.030 3.174) 5.086 9.319 ( 2.027 -0.826 3.734) 4.328 9.395 ( 6.388 -1.926 3.696) 7.628 9.519 ( -6.369 -3.480 -6.581) 9.797 9.846 ( -15.338 2.389 -7.174) 17.101 9.911 ( 2.424 0.563 0.033) 2.489 10.078 ( 1.403 6.127 -0.554) 6.310 10.109 ( 4.167 1.173 4.530) 6.266 10.314 ( -7.400 -3.889 -1.359) 8.469 10.499 ( -3.696 2.295 0.072) 4.351 10.561 ( 1.191 -1.203 -3.184) 3.605 10.748 ( -5.543 2.583 -4.311) 7.482 11.231 ( -1.076 -1.379 0.850) 1.945 11.464 ( 6.744 -5.589 1.273) 8.851 11.584 ( -1.395 4.310 -1.297) 4.712 11.846 ( 1.651 -4.069 -0.249) 4.398 12.080 ( -2.219 13.839 -4.661) 14.771 12.517 ( -1.392 1.242 0.807) 2.032 12.935 ( -2.939 1.550 3.917) 5.136 13.025 ( 0.142 3.579 0.037) 3.582 13.338 ( -3.847 -1.026 -2.129) 4.515 13.648 ( 3.685 -1.662 3.178) 5.142 15.110 ( -18.391 4.737 1.976) 19.094 15.677 ( -4.164 -8.928 -1.169) 9.920 16.072 ( -7.816 2.286 -1.296) 8.246 16.164 ( 5.672 -4.010 -0.705) 6.982 16.602 ( 9.400 -5.032 2.628) 10.981 16.739 ( 5.544 3.890 4.247) 7.994 16.969 ( -0.184 1.695 -0.626) 1.817 17.331 ( 1.217 11.576 11.101) 16.085 17.610 ( -3.325 -0.876 -3.628) 4.998 17.970 ( 2.442 -4.345 2.352) 5.511 18.833 ( -11.578 -2.410 -12.634) 17.305 20.246 ( 14.639 -7.493 3.755) 16.869 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -19.184 2.270 -3.267) 19.592 1.017 ( -19.642 17.686 7.534) 27.484 1.745 ( -38.036 11.255 -1.895) 39.712 2.364 ( -2.617 1.169 -12.483) 12.808 2.512 ( 12.468 2.628 -1.232) 12.801 2.770 ( 5.393 -3.677 10.785) 12.606 2.959 ( 2.094 0.966 5.642) 6.095 3.147 ( -1.184 -3.261 -8.637) 9.307 3.546 ( 13.250 -4.955 -2.141) 14.307 3.655 ( 6.184 -4.062 -0.306) 7.405 3.829 ( 11.330 -3.334 4.782) 12.741 4.094 ( 0.589 2.538 0.832) 2.735 4.193 ( 0.133 -5.074 -4.610) 6.857 4.280 ( 2.735 -4.381 6.404) 8.227 4.440 ( 1.639 -0.215 -1.571) 2.280 4.568 ( -5.197 1.047 -2.305) 5.781 4.898 ( 1.965 -3.617 1.161) 4.276 5.029 ( 1.620 -0.203 1.277) 2.073 6.646 ( 2.751 0.217 0.254) 2.771 6.670 ( 4.691 0.298 -1.590) 4.962 7.148 ( 2.899 -2.968 -1.017) 4.271 7.635 ( 6.078 -2.825 -2.367) 7.108 8.252 ( 5.677 -3.079 3.603) 7.395 8.337 ( 4.984 -2.534 -3.772) 6.745 8.608 ( -4.080 0.602 6.085) 7.351 9.032 ( -5.047 -4.452 -1.140) 6.825 9.205 ( -7.470 -3.277 2.983) 8.685 9.270 ( -5.613 -0.974 -0.957) 5.777 9.388 ( -5.693 0.281 -2.266) 6.134 9.482 ( -12.290 4.501 -1.406) 13.163 9.559 ( 3.254 -4.025 1.764) 5.468 9.970 ( 5.418 -0.318 -0.573) 5.457 10.111 ( 1.072 5.186 1.566) 5.523 10.156 ( -5.940 -5.163 -4.487) 9.059 10.225 ( 2.806 1.177 4.269) 5.243 10.460 ( -2.483 2.275 0.615) 3.423 10.560 ( 2.416 2.915 -4.149) 5.617 10.628 ( -2.238 2.888 -2.764) 4.581 11.144 ( -5.976 1.696 -0.483) 6.231 11.532 ( -0.464 -4.264 4.739) 6.392 11.703 ( 10.253 -0.490 -0.197) 10.266 11.848 ( -0.567 2.298 1.235) 2.670 12.015 ( 0.973 10.291 -4.905) 11.442 12.457 ( -5.409 -1.744 -1.955) 6.010 12.938 ( -2.375 -0.917 4.407) 5.089 13.019 ( -0.147 5.917 -1.182) 6.036 13.258 ( -2.125 -0.366 -2.161) 3.053 13.721 ( 2.699 -1.272 0.146) 2.987 14.858 ( -16.349 6.881 5.313) 18.516 15.610 ( -1.256 -7.553 -1.984) 7.910 15.933 ( -5.980 2.561 -1.023) 6.585 16.273 ( 6.650 -8.120 0.067) 10.496 16.762 ( 7.204 -2.292 0.167) 7.562 16.871 ( 3.346 0.360 4.257) 5.427 16.942 ( 0.072 0.825 -1.661) 1.856 17.369 ( -5.752 6.114 3.065) 8.937 17.561 ( -0.376 1.872 -1.530) 2.447 18.066 ( 4.512 -3.442 -1.461) 5.860 18.536 ( -9.456 2.362 -2.065) 9.963 20.494 ( 11.184 -6.957 0.781) 13.195 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -12.760 10.474 10.162) 19.385 0.798 ( -18.111 19.564 8.030) 27.843 1.215 ( -31.454 20.580 22.128) 43.618 2.200 ( -1.776 1.191 -5.911) 6.286 2.691 ( 10.368 1.775 -3.799) 11.184 2.865 ( -2.677 -3.894 -5.895) 7.555 3.058 ( -1.202 2.560 4.654) 5.446 3.077 ( 4.275 -4.064 6.390) 8.696 3.663 ( 6.959 -4.996 -8.580) 12.124 3.751 ( 7.441 -2.217 -2.333) 8.107 4.024 ( 4.489 -7.336 -1.832) 8.793 4.129 ( 0.317 -1.227 1.685) 2.108 4.131 ( -0.680 -1.925 2.965) 3.600 4.394 ( -2.311 3.015 -3.513) 5.175 4.421 ( 2.532 -1.999 2.613) 4.151 4.479 ( -0.954 0.136 1.375) 1.679 4.953 ( 1.106 -2.530 2.522) 3.739 5.051 ( 0.308 -3.082 -0.213) 3.104 6.663 ( -1.029 2.620 1.349) 3.121 6.752 ( 7.237 -1.327 -3.038) 7.961 7.193 ( 3.309 -3.238 -1.517) 4.872 7.703 ( 6.655 -4.943 -5.227) 9.800 8.366 ( 4.605 -5.208 -2.012) 7.238 8.397 ( 3.162 -2.054 0.483) 3.801 8.623 ( -3.433 1.075 7.018) 7.886 8.866 ( -7.905 -2.834 -2.774) 8.844 9.066 ( -9.097 -1.577 -2.811) 9.652 9.165 ( -7.863 1.492 1.423) 8.129 9.221 ( -1.237 2.940 0.160) 3.193 9.414 ( -4.835 2.417 5.138) 7.458 9.659 ( 1.161 -6.289 6.367) 9.025 9.985 ( -1.025 -5.824 -5.409) 8.015 10.067 ( 0.910 1.370 1.390) 2.154 10.205 ( 5.922 4.650 1.440) 7.666 10.313 ( 1.973 1.987 5.208) 5.913 10.389 ( -4.957 4.764 -1.458) 7.028 10.534 ( 2.338 1.452 -6.292) 6.868 10.620 ( 0.952 4.114 0.453) 4.247 11.076 ( -2.554 1.240 1.081) 3.038 11.547 ( -6.047 -2.848 6.563) 9.367 11.776 ( 3.276 -5.827 -2.242) 7.051 11.949 ( 3.900 9.985 1.135) 10.779 12.014 ( 7.753 5.225 -2.350) 9.640 12.301 ( -7.894 -3.241 -3.862) 9.367 12.945 ( -2.323 -0.643 2.731) 3.643 12.999 ( 0.212 6.680 -1.778) 6.916 13.222 ( -0.045 -1.190 -1.186) 1.681 13.741 ( 1.574 -0.933 -2.901) 3.430 14.697 ( -11.846 8.629 8.389) 16.887 15.600 ( 1.620 -5.271 -0.015) 5.514 15.846 ( -3.186 -1.980 -0.908) 3.859 16.377 ( 5.611 -7.213 -0.554) 9.155 16.855 ( 4.813 -1.640 -1.067) 5.195 16.884 ( -0.644 -3.392 -1.200) 3.655 16.994 ( 2.808 4.209 0.915) 5.142 17.252 ( -10.302 -0.469 0.943) 10.355 17.533 ( 0.257 1.463 -2.936) 3.291 17.941 ( 1.477 2.679 -23.284) 23.484 18.606 ( -1.571 3.602 24.303) 24.618 20.625 ( 5.843 -6.457 -3.322) 9.321 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 5.221 23.555 3.210) 24.340 1.109 ( -4.274 20.479 12.158) 24.197 1.757 ( -2.935 23.876 28.897) 37.599 2.202 ( 5.524 0.357 -3.095) 6.342 2.575 ( -3.458 -2.307 -12.813) 13.471 2.836 ( 3.003 1.127 -2.430) 4.024 3.106 ( -5.011 0.467 5.642) 7.560 3.181 ( 3.742 -3.950 10.074) 11.449 3.507 ( 0.805 -6.812 -7.487) 10.155 3.672 ( -3.331 -12.366 -11.332) 17.100 3.748 ( 3.592 -6.863 -3.093) 8.341 4.105 ( 0.340 -5.488 1.918) 5.823 4.199 ( 0.857 0.164 4.753) 4.832 4.316 ( -4.386 2.667 -3.043) 5.968 4.423 ( 0.104 -4.379 0.344) 4.394 4.559 ( 0.259 2.614 2.770) 3.818 4.936 ( -2.400 -3.102 0.935) 4.032 4.962 ( 2.292 -3.709 1.504) 4.613 6.702 ( -1.863 2.126 -0.423) 2.858 6.775 ( 2.263 -2.071 -1.788) 3.551 7.159 ( 0.936 -1.849 -0.568) 2.149 7.584 ( 2.282 -6.915 -5.260) 8.983 8.265 ( 2.422 -6.428 -3.241) 7.595 8.284 ( -4.624 -5.250 -3.550) 7.845 8.602 ( -4.066 -1.512 2.710) 5.115 8.735 ( 0.118 -3.921 0.085) 3.924 9.025 ( -1.752 0.117 0.541) 1.837 9.118 ( 3.029 1.222 1.439) 3.569 9.335 ( 4.295 2.812 5.267) 7.355 9.435 ( -4.183 3.346 2.894) 6.088 9.605 ( 0.546 -8.125 8.637) 11.871 9.891 ( 3.060 -2.826 -2.885) 5.067 10.114 ( -1.312 1.943 0.917) 2.517 10.327 ( 0.285 -0.162 3.947) 3.960 10.386 ( -1.133 3.706 -0.212) 3.882 10.478 ( -0.197 3.140 -0.243) 3.156 10.582 ( 1.083 8.830 -2.180) 9.159 10.748 ( 0.690 6.048 0.257) 6.093 11.126 ( 1.357 2.806 4.384) 5.379 11.468 ( -3.659 -1.793 1.684) 4.409 11.705 ( 5.342 -8.250 2.075) 10.045 11.990 ( -7.602 -3.923 -3.549) 9.262 12.150 ( 0.005 6.928 -8.003) 10.585 12.261 ( 5.215 5.638 -0.379) 7.689 12.933 ( -1.565 0.747 5.254) 5.533 13.149 ( 2.796 3.192 0.022) 4.243 13.206 ( -0.865 4.879 -1.036) 5.062 13.687 ( 0.198 -1.164 -5.290) 5.420 14.918 ( -3.854 15.906 8.762) 18.564 15.581 ( 3.629 -4.572 3.860) 6.998 15.709 ( -1.899 -5.090 3.110) 6.260 16.303 ( 1.281 -5.103 -2.621) 5.878 16.705 ( -2.722 -9.781 -0.161) 10.154 16.897 ( 5.611 -1.238 -11.210) 12.597 16.949 ( -8.634 -2.918 -6.739) 11.335 17.016 ( 1.828 -6.150 -4.491) 7.832 17.613 ( 1.496 7.313 1.004) 7.532 17.890 ( 1.163 7.739 -8.380) 11.466 19.000 ( 0.379 7.841 21.219) 22.625 20.439 ( -0.345 -11.100 -6.520) 12.878 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 7.914 17.633 9.062) 21.346 1.295 ( 4.068 15.749 15.604) 22.540 2.135 ( 7.184 16.164 24.704) 30.383 2.258 ( 6.066 0.137 -10.450) 12.083 2.383 ( 0.511 0.492 -12.299) 12.319 2.855 ( -0.918 -2.955 4.393) 5.373 3.043 ( -10.093 -0.836 6.048) 11.796 3.317 ( -1.767 -10.197 -4.441) 11.262 3.381 ( -2.070 -0.700 4.045) 4.597 3.531 ( 0.863 -7.887 -8.488) 11.619 3.717 ( -2.647 -5.441 -3.488) 6.984 4.025 ( -6.036 -2.573 -6.671) 9.357 4.235 ( -0.497 2.211 3.012) 3.770 4.285 ( 0.441 -0.297 3.424) 3.465 4.466 ( 1.450 -4.252 2.605) 5.193 4.528 ( -4.115 -1.714 -1.960) 4.869 4.938 ( -0.434 -1.922 3.253) 3.803 4.991 ( -0.254 -2.204 0.286) 2.237 6.645 ( -3.502 1.092 -2.079) 4.217 6.758 ( -1.779 -2.711 -0.760) 3.330 7.156 ( -1.018 -0.556 0.533) 1.276 7.535 ( 0.153 -3.712 -6.245) 7.267 8.129 ( -4.896 -5.715 -3.790) 8.426 8.270 ( -0.414 -8.156 -1.470) 8.297 8.594 ( -0.914 -1.478 3.213) 3.653 8.819 ( 8.852 -4.809 -0.105) 10.074 8.985 ( -1.432 -0.939 0.476) 1.778 9.210 ( 2.760 -0.719 0.636) 2.922 9.414 ( 0.228 4.128 1.359) 4.352 9.544 ( 9.152 1.673 7.294) 11.822 9.692 ( -2.369 -5.176 7.851) 9.698 9.918 ( 3.811 -1.630 -2.327) 4.754 10.093 ( -2.809 1.164 1.705) 3.486 10.290 ( -4.042 0.633 -3.880) 5.638 10.414 ( -0.013 1.197 4.522) 4.678 10.470 ( -0.758 3.695 0.833) 3.862 10.549 ( 1.310 10.078 -3.065) 10.615 10.804 ( 3.049 3.606 3.336) 5.782 11.263 ( 3.744 4.246 8.722) 10.398 11.412 ( -3.128 -3.059 -0.545) 4.409 11.711 ( -4.567 -2.365 -6.542) 8.322 11.903 ( -4.168 -7.346 4.057) 9.370 12.077 ( 6.590 4.904 -6.301) 10.353 12.344 ( 5.933 -0.119 -2.418) 6.408 12.970 ( -0.937 7.148 4.734) 8.625 13.159 ( -1.497 7.906 -1.522) 8.189 13.229 ( 3.462 -0.551 1.647) 3.874 13.600 ( -1.499 -1.030 -7.693) 7.905 15.010 ( 1.748 14.080 9.730) 17.203 15.638 ( -3.311 -2.576 5.800) 7.158 15.807 ( 7.971 -3.782 3.215) 9.390 16.266 ( -2.497 -6.035 -1.160) 6.633 16.586 ( -7.541 -7.115 -6.776) 12.386 16.640 ( -4.206 -4.288 -14.619) 15.805 16.965 ( 5.350 -4.860 -0.438) 7.241 17.087 ( 12.545 -8.703 -5.794) 16.330 17.613 ( -2.548 12.346 -1.516) 12.697 17.825 ( 0.096 10.738 -3.903) 11.426 19.240 ( -2.304 2.638 22.171) 22.446 20.286 ( -6.237 -10.368 -9.819) 15.583 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 10.736 13.876 8.463) 19.479 1.567 ( 5.399 6.554 16.736) 18.767 2.112 ( -2.030 -0.418 -14.733) 14.878 2.312 ( 4.707 4.292 -10.508) 12.288 2.425 ( 0.579 4.672 7.083) 8.505 2.876 ( -9.347 -8.792 1.885) 12.970 2.968 ( -2.964 -5.119 10.742) 12.264 3.175 ( -0.918 -3.477 -2.271) 4.253 3.450 ( 0.692 -1.232 -7.774) 7.902 3.501 ( -1.338 0.695 6.694) 6.862 3.614 ( -4.231 -4.046 0.695) 5.896 3.826 ( -7.812 -4.438 -5.205) 10.383 4.267 ( 1.003 1.703 1.045) 2.236 4.339 ( -1.449 -1.990 3.209) 4.045 4.419 ( -1.581 -3.836 -2.562) 4.876 4.523 ( 1.606 -0.553 2.572) 3.082 4.961 ( -1.857 -1.410 -1.058) 2.560 4.982 ( 0.098 -2.219 3.181) 3.880 6.544 ( -4.282 0.923 -2.976) 5.296 6.720 ( -2.893 -1.542 1.480) 3.597 7.131 ( -2.524 0.237 -0.496) 2.583 7.458 ( 0.260 -1.948 -6.605) 6.891 8.074 ( 0.368 -8.950 0.748) 8.988 8.224 ( -2.622 -10.330 -1.138) 10.718 8.633 ( -0.759 -0.912 5.067) 5.204 8.975 ( 8.345 -2.456 0.275) 8.704 8.998 ( 2.042 -0.720 -0.015) 2.165 9.233 ( 1.406 -4.163 -0.723) 4.453 9.444 ( 0.525 5.320 0.306) 5.354 9.639 ( -5.712 -2.821 3.006) 7.044 9.826 ( 9.719 -0.335 5.092) 10.977 9.956 ( 3.626 0.437 -2.569) 4.465 10.060 ( -3.046 0.653 1.262) 3.361 10.163 ( -3.517 -0.017 -5.618) 6.628 10.374 ( -5.602 3.437 2.695) 7.103 10.550 ( 5.206 0.811 3.119) 6.123 10.611 ( 5.624 9.899 1.472) 11.479 10.915 ( 4.155 2.010 5.266) 7.002 11.301 ( -4.733 -0.404 0.653) 4.795 11.385 ( -3.189 -2.198 -2.055) 4.384 11.586 ( -3.381 -0.431 -1.514) 3.730 11.800 ( -3.539 -7.875 -0.955) 8.686 12.256 ( 12.111 6.944 1.877) 14.086 12.417 ( 6.957 -0.409 -2.505) 7.406 12.999 ( -1.032 10.666 2.155) 10.930 13.130 ( -1.027 4.234 1.553) 4.625 13.294 ( 2.063 -0.296 1.030) 2.325 13.462 ( -2.908 -1.368 -9.358) 9.894 15.185 ( 5.433 10.167 8.881) 14.552 15.633 ( -3.218 -1.665 3.388) 4.961 15.983 ( 6.497 -3.991 3.821) 8.529 16.198 ( -5.295 -7.686 -0.501) 9.347 16.380 ( -0.569 -0.605 -12.973) 12.999 16.457 ( -2.309 -6.719 -5.882) 9.224 17.100 ( 7.055 -3.565 4.112) 8.910 17.249 ( 12.986 -4.305 -6.039) 14.955 17.503 ( -5.162 10.699 -2.473) 12.133 17.793 ( -0.112 9.613 -2.565) 9.950 19.424 ( -5.064 -1.980 19.881) 20.611 20.017 ( -10.188 -9.897 -11.945) 18.559 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.405 9.554 2.510) 12.346 1.833 ( 0.447 -1.749 6.111) 6.372 1.933 ( 4.614 -0.742 -3.191) 5.659 2.320 ( 6.823 4.993 -3.936) 9.326 2.360 ( -4.309 -3.413 -5.405) 7.709 2.694 ( -13.198 -8.119 3.787) 15.952 3.067 ( -2.067 -6.606 6.478) 9.480 3.162 ( -2.291 -3.751 -0.752) 4.459 3.346 ( -3.347 -0.107 -5.541) 6.474 3.416 ( -3.995 3.423 -3.166) 6.140 3.586 ( -7.190 -4.439 -2.004) 8.684 3.739 ( -3.329 -3.094 7.426) 8.707 4.251 ( -1.650 -3.329 -0.004) 3.715 4.331 ( 2.718 -1.517 -0.648) 3.179 4.471 ( 4.338 0.744 0.596) 4.442 4.591 ( 2.438 2.457 3.495) 4.919 4.904 ( -2.422 -3.445 -1.491) 4.467 5.019 ( 0.588 -2.322 1.665) 2.917 6.452 ( -2.844 1.987 -1.950) 3.980 6.702 ( -2.395 -0.043 2.579) 3.520 7.062 ( -2.822 -0.243 -2.150) 3.556 7.413 ( 2.290 -0.982 -4.645) 5.271 8.127 ( -0.913 -12.424 6.339) 13.977 8.173 ( 1.513 -9.912 -4.370) 10.937 8.671 ( -2.286 -1.776 5.240) 5.987 9.022 ( 0.251 -1.892 1.089) 2.197 9.114 ( 6.451 1.090 2.499) 7.004 9.215 ( -2.017 -2.611 -4.364) 5.471 9.414 ( -2.632 4.302 -1.627) 5.299 9.572 ( -2.719 -2.174 0.189) 3.486 9.932 ( -4.796 1.412 -0.759) 5.057 9.989 ( 1.211 -3.814 1.377) 4.232 10.047 ( 1.952 1.669 -0.680) 2.657 10.114 ( 6.532 -0.184 -2.066) 6.853 10.378 ( 3.111 3.688 2.680) 5.519 10.646 ( 3.684 4.153 -0.568) 5.580 10.736 ( 4.104 5.090 4.068) 7.701 11.056 ( 3.665 -0.628 5.671) 6.782 11.186 ( -5.910 3.369 -4.161) 7.974 11.292 ( -1.448 -5.004 -1.655) 5.466 11.451 ( -7.781 -8.860 -2.652) 12.086 11.828 ( 1.003 -0.709 2.996) 3.238 12.452 ( 10.079 9.073 -0.091) 13.562 12.521 ( 7.164 3.031 -1.945) 8.019 12.982 ( -1.802 9.814 -0.082) 9.978 13.173 ( 0.661 1.537 5.403) 5.656 13.303 ( -2.928 -1.715 -8.044) 8.730 13.319 ( 0.222 -1.381 0.081) 1.401 15.365 ( 5.811 3.444 4.010) 7.855 15.633 ( -1.102 -3.617 4.331) 5.750 16.003 ( -2.991 -9.657 -8.076) 12.939 16.149 ( -4.411 -6.664 11.134) 13.705 16.266 ( 4.552 2.002 -11.794) 12.800 16.493 ( 7.503 4.083 2.264) 8.838 17.176 ( -8.827 14.679 -0.395) 17.133 17.280 ( 5.174 4.145 -3.410) 7.455 17.571 ( 10.881 -8.738 3.223) 14.323 17.764 ( 2.455 3.806 -4.205) 6.180 19.524 ( -7.475 -5.903 15.269) 17.996 19.690 ( -11.028 -10.008 -12.407) 19.384 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.805 -6.744 -10.910) 12.851 1.811 ( -0.909 7.942 3.090) 8.570 2.205 ( 14.464 -5.300 3.218) 15.737 2.241 ( -1.717 -4.277 -2.461) 5.224 2.423 ( 2.754 1.380 -0.459) 3.114 2.587 ( -3.906 -7.319 9.745) 12.797 2.989 ( -8.205 -0.733 -2.537) 8.619 3.024 ( -11.458 -5.585 -3.191) 13.140 3.257 ( -2.701 1.476 2.368) 3.884 3.345 ( -4.819 -3.047 -5.796) 8.130 3.462 ( -0.295 -1.265 -0.139) 1.306 3.705 ( -6.620 -4.593 2.065) 8.317 4.280 ( 1.588 -1.288 1.474) 2.521 4.379 ( 3.055 -3.105 -0.069) 4.356 4.529 ( 3.926 1.947 -2.324) 4.960 4.665 ( 2.000 5.344 1.061) 5.804 4.862 ( -1.038 -6.766 -0.421) 6.858 5.038 ( 0.549 -2.614 0.036) 2.672 6.408 ( -0.764 2.824 -0.681) 3.004 6.673 ( -3.094 0.546 -0.290) 3.155 7.035 ( 0.230 -0.001 2.489) 2.499 7.419 ( 3.440 -0.267 -2.971) 4.553 8.107 ( -1.530 -10.722 -2.330) 11.078 8.235 ( 2.930 -10.477 3.920) 11.564 8.666 ( -4.316 -4.028 3.690) 6.962 9.037 ( -2.225 -4.926 -0.135) 5.407 9.101 ( -1.075 -0.211 -2.819) 3.024 9.214 ( -1.807 2.512 3.860) 4.947 9.361 ( 1.476 4.859 -3.584) 6.216 9.537 ( -0.602 0.790 -1.139) 1.511 9.844 ( -3.479 -2.244 -0.319) 4.153 9.967 ( -2.591 -2.412 1.070) 3.698 10.080 ( 1.273 3.591 -0.057) 3.811 10.242 ( 8.662 -1.247 -1.774) 8.929 10.526 ( 8.150 -0.439 4.529) 9.334 10.659 ( 0.914 5.019 -3.064) 5.951 10.797 ( -0.303 3.135 -0.386) 3.174 11.000 ( -3.588 0.324 -5.401) 6.492 11.180 ( -1.999 -5.071 3.226) 6.334 11.294 ( 1.113 1.324 -2.968) 3.436 11.346 ( -0.421 -7.011 2.842) 7.577 11.847 ( -1.691 -0.109 2.121) 2.715 12.557 ( 2.580 6.752 -2.562) 7.669 12.617 ( 9.162 8.352 -3.177) 12.798 12.960 ( -1.322 7.972 1.774) 8.273 13.159 ( -1.674 -3.184 -4.132) 5.479 13.295 ( 2.053 -0.863 3.996) 4.574 13.308 ( -1.797 -0.368 1.421) 2.320 15.464 ( 5.373 -4.019 -1.518) 6.879 15.685 ( -2.412 -10.567 5.566) 12.185 15.875 ( -0.932 -7.206 -3.666) 8.139 16.161 ( -4.318 -6.237 3.336) 8.287 16.314 ( 6.717 10.723 2.370) 12.873 16.689 ( 10.851 8.900 3.019) 14.355 16.959 ( -11.198 15.605 -2.716) 19.398 17.277 ( -4.671 11.914 -0.622) 12.812 17.721 ( 7.115 -4.339 -4.839) 9.636 17.875 ( 9.960 -9.170 3.399) 13.959 19.393 ( -7.053 -11.273 -10.486) 16.935 19.528 ( -9.052 -8.860 9.205) 15.658 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.706 -9.326 -6.264) 11.830 1.772 ( -1.272 2.879 -5.939) 6.721 2.232 ( 2.301 -3.902 3.030) 5.450 2.375 ( -4.627 -4.053 0.399) 6.164 2.478 ( 12.446 -2.959 -1.162) 12.845 2.730 ( -9.784 -6.036 -0.386) 11.503 2.804 ( 5.030 -6.916 9.804) 13.010 2.825 ( -9.233 4.700 -0.401) 10.368 3.155 ( -4.410 0.291 -9.148) 10.160 3.314 ( 2.719 -1.515 5.550) 6.363 3.490 ( 1.017 -0.575 -0.522) 1.280 3.625 ( -4.271 -5.831 1.590) 7.401 4.282 ( -0.791 -1.694 -2.011) 2.746 4.401 ( 0.733 -2.871 -2.281) 3.740 4.553 ( 2.556 1.998 -3.727) 4.941 4.686 ( 0.443 4.755 -0.112) 4.777 4.840 ( -0.582 -7.440 -1.659) 7.645 5.038 ( 0.045 -2.711 -1.030) 2.901 6.399 ( 0.174 2.150 -0.347) 2.185 6.608 ( -1.730 -0.192 -2.878) 3.363 7.106 ( 0.152 1.928 7.402) 7.650 7.457 ( 3.569 0.376 -0.732) 3.663 8.044 ( -1.195 -8.863 -4.610) 10.061 8.325 ( 1.954 -8.086 3.766) 9.132 8.632 ( -4.412 -6.320 3.794) 8.591 8.951 ( -1.523 -3.814 -2.979) 5.074 9.127 ( 0.173 -2.071 2.370) 3.152 9.184 ( -2.667 1.865 2.195) 3.925 9.296 ( 0.174 4.057 -10.602) 11.353 9.603 ( 3.169 4.140 7.205) 8.894 9.796 ( -1.456 -4.352 -2.014) 5.012 9.952 ( -1.059 -2.138 1.790) 2.983 10.084 ( -0.218 4.192 -0.457) 4.222 10.345 ( 5.596 -1.690 -1.771) 6.107 10.601 ( -2.247 -0.264 -2.141) 3.115 10.719 ( 4.375 -4.421 0.144) 6.221 10.744 ( -0.150 8.194 0.546) 8.213 10.921 ( 0.546 1.136 -4.550) 4.722 11.119 ( -3.724 -8.100 -2.796) 9.343 11.234 ( -0.711 -0.759 -5.778) 5.871 11.440 ( 1.530 0.238 5.739) 5.945 11.839 ( -1.809 -1.351 1.604) 2.769 12.561 ( 2.736 5.878 -2.255) 6.864 12.701 ( 4.806 11.795 -3.213) 13.135 12.968 ( -1.994 5.963 3.132) 7.025 13.131 ( 1.506 -3.908 -0.929) 4.290 13.274 ( -1.259 0.658 0.399) 1.475 13.370 ( -0.635 -2.560 4.422) 5.149 15.542 ( 6.313 -8.103 -1.867) 10.440 15.645 ( -5.166 -14.318 2.122) 15.369 15.901 ( 1.292 -4.278 3.054) 5.413 16.111 ( -5.282 -3.249 2.282) 6.608 16.465 ( 4.455 15.027 3.956) 16.165 16.810 ( -4.144 11.282 2.703) 12.319 16.901 ( 8.194 10.777 4.830) 14.374 17.132 ( -7.836 15.237 -3.640) 17.516 17.772 ( 6.229 -7.025 -6.059) 11.174 18.011 ( 1.282 -6.874 0.874) 7.047 19.264 ( 3.331 -13.646 -4.530) 14.760 19.439 ( -9.174 -10.505 2.391) 14.150 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.739 -3.671 -7.881) 8.725 1.764 ( 10.168 -5.003 -3.940) 11.998 2.189 ( -12.536 0.147 -4.763) 13.411 2.337 ( 0.828 -2.940 2.043) 3.675 2.516 ( -2.835 -4.812 7.118) 9.047 2.692 ( -1.862 1.300 0.594) 2.347 2.756 ( 5.098 0.136 0.183) 5.103 3.008 ( 2.919 -0.067 -2.011) 3.545 3.094 ( 8.785 -3.374 2.433) 9.720 3.408 ( 2.358 -4.188 -0.607) 4.845 3.507 ( 2.374 0.664 3.742) 4.481 3.584 ( -3.398 -7.065 0.063) 7.840 4.232 ( -1.373 -2.941 -1.577) 3.609 4.372 ( 0.488 -2.396 -3.537) 4.299 4.522 ( 0.408 1.097 -5.177) 5.307 4.626 ( -5.054 0.994 -4.791) 7.035 4.847 ( 2.441 -3.752 1.016) 4.590 5.013 ( -0.868 -2.507 -2.008) 3.327 6.412 ( 1.582 0.381 0.646) 1.751 6.555 ( 0.372 -1.398 -4.126) 4.372 7.186 ( -2.148 3.791 8.459) 9.515 7.509 ( 1.879 1.812 1.162) 2.858 7.973 ( -0.841 -8.119 -3.397) 8.841 8.367 ( 0.894 -4.597 -1.432) 4.897 8.606 ( -5.183 -7.659 5.217) 10.618 8.951 ( 3.460 -3.959 -0.336) 5.269 9.144 ( 1.517 2.257 -1.859) 3.294 9.176 ( -0.035 -1.013 -1.121) 1.511 9.216 ( 1.412 -0.042 -1.642) 2.166 9.690 ( -2.519 -3.424 -1.393) 4.473 9.787 ( 3.606 2.858 4.369) 6.345 9.969 ( 0.406 -0.809 1.643) 1.876 10.074 ( 0.375 2.804 -0.705) 2.915 10.347 ( -3.441 -0.955 -2.619) 4.428 10.551 ( -1.592 -1.995 -0.213) 2.562 10.649 ( -4.313 1.126 -2.768) 5.247 10.776 ( -2.571 6.693 -2.638) 7.639 10.939 ( 4.926 -7.853 -1.841) 9.451 11.064 ( 4.393 -2.867 -4.172) 6.703 11.144 ( -1.084 1.093 -5.214) 5.437 11.520 ( 0.132 -0.815 6.577) 6.628 11.817 ( -1.564 -3.036 -0.935) 3.540 12.599 ( 1.894 7.732 0.157) 7.962 12.683 ( -2.591 12.880 -3.429) 13.578 12.981 ( -0.162 4.285 2.778) 5.109 13.114 ( -1.081 1.056 -2.644) 3.046 13.331 ( 3.433 -2.314 5.639) 6.996 13.380 ( -2.035 -4.488 1.625) 5.189 15.562 ( -3.665 -9.132 0.446) 9.850 15.644 ( 1.348 -11.207 1.594) 11.400 15.881 ( -5.208 1.089 -1.059) 5.425 16.113 ( 1.949 -4.237 5.634) 7.313 16.539 ( 0.587 7.567 4.602) 8.876 16.798 ( -10.148 12.437 2.251) 16.209 16.980 ( 1.749 11.460 2.772) 11.919 17.139 ( 10.032 13.191 3.039) 16.848 17.769 ( 0.514 -8.562 -5.362) 10.116 17.954 ( -3.858 -3.053 -3.348) 5.951 19.255 ( -7.604 -10.779 -4.719) 14.010 19.421 ( 12.265 -14.291 2.014) 18.939 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -3.396 -3.068 -11.411) 12.295 1.882 ( -15.333 11.828 0.228) 19.366 1.979 ( 15.130 -2.346 -2.360) 15.491 2.373 ( 1.071 -3.372 3.412) 4.915 2.595 ( -1.201 -6.743 8.608) 11.001 2.719 ( 0.176 0.467 6.378) 6.397 2.796 ( 3.141 -0.493 -7.683) 8.315 3.011 ( 4.277 6.977 -7.428) 11.052 3.254 ( 4.963 -6.342 0.104) 8.054 3.434 ( 3.262 -3.194 0.509) 4.594 3.496 ( -2.218 -6.500 -4.583) 8.257 3.662 ( 7.042 -4.313 7.914) 11.438 4.223 ( 0.728 -2.146 -0.635) 2.353 4.339 ( -1.585 -1.899 -1.618) 2.956 4.466 ( -2.895 -5.596 -3.537) 7.225 4.474 ( -0.013 1.933 -5.620) 5.943 4.907 ( 1.899 -1.754 1.086) 2.804 4.967 ( -1.109 -1.354 -1.959) 2.626 6.477 ( 3.933 -0.738 2.519) 4.729 6.530 ( 2.666 -2.226 -4.183) 5.437 7.209 ( -4.538 4.159 4.515) 7.634 7.543 ( 0.530 2.238 1.535) 2.765 7.961 ( 1.743 -7.239 0.514) 7.463 8.329 ( -0.062 -3.245 -5.083) 6.031 8.580 ( -5.064 -6.110 5.623) 9.725 9.007 ( 1.292 -3.668 1.038) 4.025 9.164 ( 1.897 -2.907 -0.679) 3.537 9.196 ( 5.079 0.294 -2.220) 5.551 9.257 ( 2.722 -2.577 1.446) 4.017 9.580 ( -3.632 -4.628 -5.508) 8.059 9.908 ( 2.164 4.426 3.908) 6.289 10.008 ( 1.925 0.038 2.440) 3.108 10.095 ( 2.015 2.310 1.376) 3.360 10.193 ( -9.137 1.244 -3.865) 9.998 10.446 ( -10.166 -3.549 -2.001) 10.952 10.559 ( -0.467 -0.645 -4.587) 4.655 10.686 ( -2.014 6.980 -3.221) 7.947 10.926 ( -3.475 0.929 -3.615) 5.100 11.152 ( 10.602 -9.020 -1.939) 14.054 11.171 ( 5.850 3.740 0.708) 6.979 11.614 ( 0.908 -2.273 8.286) 8.640 11.755 ( -2.356 -2.873 -4.329) 5.705 12.519 ( -7.589 13.652 -4.131) 16.157 12.624 ( -2.524 6.060 0.096) 6.565 13.005 ( -0.979 4.235 1.617) 4.638 13.082 ( 0.204 3.118 -0.330) 3.142 13.354 ( -1.988 -3.729 0.186) 4.230 13.471 ( 4.999 -3.647 4.984) 7.946 15.459 ( -9.272 1.123 -1.036) 9.397 15.607 ( -7.286 -6.968 3.184) 10.573 15.841 ( 3.685 -5.421 -2.927) 7.178 16.269 ( 6.481 -6.766 7.647) 12.094 16.542 ( -10.662 12.269 -1.050) 16.288 16.663 ( -1.294 2.597 7.164) 7.729 17.038 ( 2.301 4.681 -3.253) 6.147 17.391 ( 8.764 15.824 11.221) 21.287 17.665 ( -5.167 -6.796 -3.553) 9.247 17.877 ( -0.516 -2.663 -3.158) 4.163 19.033 ( -7.026 -7.645 -10.896) 15.051 19.716 ( 16.531 -14.246 4.247) 22.232 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -7.018 3.572 -11.137) 13.639 1.625 ( -15.803 18.988 2.941) 24.878 2.251 ( 14.628 1.403 -1.171) 14.742 2.437 ( -4.397 -2.860 1.127) 5.365 2.544 ( -7.682 3.326 2.636) 8.776 2.644 ( -5.864 0.281 -5.731) 8.204 2.853 ( 3.595 -0.872 4.117) 5.534 3.079 ( 13.831 0.216 -3.236) 14.206 3.249 ( -1.411 -8.397 -2.089) 8.767 3.475 ( 5.702 -6.192 -3.760) 9.219 3.545 ( 6.397 -6.250 2.629) 9.322 3.900 ( 8.769 -4.963 8.080) 12.916 4.192 ( -0.179 0.299 -4.923) 4.935 4.256 ( -3.308 -1.279 -3.020) 4.658 4.422 ( 0.840 -2.343 -2.348) 3.421 4.504 ( 2.498 -4.911 4.485) 7.105 4.875 ( -1.575 -1.425 -3.826) 4.376 4.984 ( 1.261 -0.767 1.596) 2.174 6.554 ( 5.345 -1.855 -3.278) 6.539 6.592 ( 4.989 -0.484 3.557) 6.146 7.151 ( -4.244 2.123 -0.257) 4.752 7.563 ( 1.121 -0.095 -0.720) 1.336 8.043 ( 3.980 -4.748 4.818) 7.849 8.276 ( 1.048 -3.836 -4.595) 6.077 8.577 ( -3.265 -3.108 6.156) 7.630 9.012 ( -2.031 -3.668 -0.054) 4.193 9.149 ( -3.864 -5.972 3.188) 7.795 9.238 ( 1.299 -8.378 -4.100) 9.417 9.350 ( 6.398 -1.515 1.302) 6.703 9.476 ( -1.437 -0.028 -4.375) 4.605 9.904 ( -14.491 3.189 -3.848) 15.329 9.951 ( 1.377 3.227 -0.497) 3.544 10.110 ( 1.042 1.053 4.077) 4.338 10.187 ( 2.946 2.338 1.512) 4.054 10.251 ( -5.558 -1.962 -3.432) 6.820 10.504 ( -0.345 1.202 -3.153) 3.392 10.651 ( 0.707 5.974 -1.400) 6.176 10.806 ( -4.943 3.723 -3.051) 6.900 11.256 ( 2.054 3.732 0.016) 4.260 11.327 ( 8.319 -7.333 1.103) 11.145 11.650 ( -0.841 0.525 -4.610) 4.715 11.744 ( 2.463 -4.630 7.237) 8.937 12.347 ( -6.288 12.571 -3.529) 14.492 12.552 ( -5.585 2.185 -0.096) 5.998 12.970 ( -3.612 2.040 -0.243) 4.155 13.114 ( 2.331 5.310 1.074) 5.898 13.314 ( -2.738 -1.380 -0.751) 3.157 13.599 ( 4.596 -3.341 2.739) 6.308 15.254 ( -13.057 9.843 0.435) 16.357 15.532 ( -4.168 -5.915 0.227) 7.240 15.873 ( 1.385 -11.196 -0.673) 11.302 16.323 ( -6.345 7.987 -4.246) 11.049 16.501 ( 5.697 -3.398 9.870) 11.892 16.767 ( 1.857 -0.187 6.499) 6.762 16.990 ( -1.012 -0.231 -4.670) 4.784 17.542 ( -4.816 -0.056 -1.149) 4.951 17.636 ( 2.530 10.544 7.670) 13.282 17.871 ( 2.405 -4.360 1.827) 5.304 18.790 ( -3.928 -1.112 -13.539) 14.141 20.038 ( 15.642 -13.501 3.485) 20.955 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -5.684 15.069 -5.536) 17.031 1.423 ( -12.847 22.441 3.228) 26.059 1.988 ( -29.726 12.539 1.365) 32.291 2.374 ( -4.323 -0.663 -10.338) 11.225 2.571 ( 12.540 2.863 -2.096) 13.032 2.720 ( 5.325 -0.708 10.945) 12.192 2.947 ( 1.480 -1.635 2.695) 3.482 3.087 ( -0.967 -2.822 -6.591) 7.235 3.421 ( 15.817 -7.676 0.130) 17.581 3.533 ( 4.187 -7.975 -1.081) 9.072 3.707 ( 7.947 -9.056 4.241) 12.774 4.041 ( 2.176 -9.321 -4.241) 10.469 4.139 ( -0.016 0.788 -2.671) 2.785 4.257 ( 3.418 1.684 6.567) 7.592 4.408 ( -0.012 -2.504 -1.051) 2.716 4.581 ( -0.602 -0.042 2.469) 2.541 4.828 ( 1.382 -3.002 -1.806) 3.766 5.005 ( -0.395 -2.067 0.460) 2.154 6.627 ( 7.088 -1.199 -2.500) 7.611 6.699 ( 2.378 1.640 2.803) 4.025 7.101 ( 0.648 -1.193 -1.799) 2.254 7.569 ( 2.532 -3.856 -3.041) 5.525 8.180 ( 4.790 -3.784 3.872) 7.229 8.270 ( 2.862 -4.531 -1.357) 5.528 8.607 ( -2.538 -0.579 6.736) 7.221 8.920 ( -6.205 -6.630 -2.732) 9.483 9.103 ( -6.868 -6.597 3.040) 9.996 9.210 ( 1.383 -5.366 -1.647) 5.780 9.407 ( -2.813 1.363 -3.904) 5.002 9.456 ( 3.085 -3.651 2.341) 5.323 9.603 ( -14.399 5.848 -1.847) 15.651 9.942 ( -1.642 -2.175 -2.172) 3.485 10.089 ( -2.197 0.263 0.368) 2.243 10.235 ( 6.203 4.640 1.192) 7.838 10.282 ( 0.964 3.526 1.845) 4.095 10.481 ( 0.550 1.291 -1.214) 1.855 10.642 ( 0.269 4.640 -4.186) 6.255 10.728 ( -1.428 6.718 1.056) 6.949 11.207 ( -5.363 4.825 -1.162) 7.307 11.432 ( 2.683 -5.592 2.242) 6.595 11.641 ( 4.269 -4.738 -5.320) 8.305 11.876 ( 3.295 -0.891 7.649) 8.376 12.248 ( -1.745 12.894 -1.947) 13.157 12.443 ( -6.150 0.806 -2.092) 6.546 12.909 ( -3.068 -1.749 0.769) 3.614 13.159 ( 1.809 7.839 -0.439) 8.057 13.246 ( -3.390 -1.049 -0.877) 3.655 13.684 ( 3.440 -2.485 0.158) 4.246 15.061 ( -12.202 13.843 3.576) 18.797 15.479 ( -0.833 -5.452 -1.241) 5.653 15.842 ( -5.026 -9.944 0.696) 11.163 16.242 ( 1.636 3.642 -2.371) 4.644 16.679 ( 3.392 -6.409 5.195) 8.920 16.840 ( 1.451 -2.035 -0.020) 2.499 16.964 ( 2.573 0.520 0.450) 2.663 17.428 ( -8.284 -0.953 -0.166) 8.340 17.647 ( -2.924 5.280 -1.067) 6.130 17.978 ( 4.075 -4.898 0.460) 6.388 18.648 ( 0.928 9.915 -3.320) 10.497 20.300 ( 11.885 -12.707 0.916) 17.423 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.599 23.003 1.734) 23.076 1.223 ( -12.726 22.782 -1.339) 26.130 1.649 ( -21.024 22.808 20.926) 37.418 2.216 ( -2.040 0.006 -5.190) 5.576 2.704 ( 4.740 -0.976 -4.218) 6.420 2.833 ( 1.284 1.315 -6.430) 6.688 2.996 ( 4.975 -3.597 7.116) 9.399 3.084 ( -0.350 0.044 4.767) 4.780 3.538 ( 4.970 -7.966 -6.780) 11.582 3.657 ( 8.226 -6.775 0.370) 10.663 3.826 ( 1.279 -12.178 -5.483) 13.417 4.023 ( 3.652 -8.792 1.380) 9.620 4.138 ( 0.459 0.449 1.946) 2.049 4.366 ( -1.399 -2.832 2.668) 4.135 4.441 ( 3.511 1.159 2.601) 4.520 4.527 ( -3.354 4.923 -1.931) 6.262 4.885 ( 3.649 -4.311 2.069) 6.015 4.981 ( -2.220 -3.540 -0.504) 4.209 6.718 ( 4.277 0.463 -0.218) 4.308 6.728 ( 1.084 1.293 -1.032) 1.978 7.129 ( 3.545 -2.648 -1.079) 4.555 7.583 ( 3.948 -7.058 -4.315) 9.166 8.248 ( 3.407 -6.417 -2.570) 7.706 8.331 ( 1.460 -4.843 1.100) 5.177 8.630 ( -3.819 -0.231 5.557) 6.746 8.795 ( -5.114 -4.191 -0.742) 6.654 9.019 ( -3.395 -2.832 -0.167) 4.424 9.183 ( -5.710 -0.083 -0.355) 5.722 9.290 ( -1.882 3.750 -1.999) 4.648 9.467 ( -5.191 2.937 4.728) 7.611 9.516 ( -0.088 -6.977 4.952) 8.557 9.891 ( 0.806 -4.082 -3.420) 5.386 10.105 ( 1.217 2.276 0.879) 2.727 10.289 ( -0.047 3.206 1.017) 3.364 10.357 ( 2.646 2.761 4.286) 5.745 10.480 ( -0.189 2.880 -0.237) 2.896 10.590 ( 1.169 6.173 -4.499) 7.727 10.744 ( 0.573 7.491 0.337) 7.520 11.121 ( -3.559 3.273 0.756) 4.894 11.481 ( -0.994 -3.766 3.355) 5.141 11.636 ( 2.671 -7.457 -2.988) 8.466 12.024 ( 3.812 -4.216 4.924) 7.520 12.212 ( 0.481 14.213 -4.128) 14.808 12.295 ( -5.679 4.559 -4.783) 8.712 12.901 ( -1.310 -3.587 3.838) 5.414 13.143 ( -0.464 3.709 -2.054) 4.266 13.219 ( -0.138 3.943 0.091) 3.947 13.715 ( 1.902 -1.681 -2.580) 3.619 14.939 ( -9.089 15.798 6.634) 19.396 15.491 ( 3.185 -5.348 0.139) 6.226 15.755 ( -6.473 -6.955 2.513) 9.828 16.279 ( 4.575 -2.200 -2.439) 5.632 16.727 ( -1.275 -9.800 1.674) 10.023 16.859 ( 5.638 -1.884 -5.354) 8.000 17.029 ( 2.126 0.235 -0.156) 2.145 17.233 ( -12.713 -1.410 -3.405) 13.236 17.594 ( -0.229 3.959 -1.336) 4.184 17.967 ( 2.846 -0.773 -9.905) 10.335 18.758 ( 2.415 12.637 14.535) 19.411 20.444 ( 6.160 -11.905 -2.683) 13.670 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.431 20.958 3.118) 21.648 1.531 ( -2.057 22.633 0.965) 22.747 2.175 ( 1.161 13.912 13.560) 19.461 2.191 ( 2.078 1.910 5.834) 6.481 2.559 ( -4.190 0.763 -9.972) 10.844 2.838 ( 1.446 -0.464 -4.358) 4.615 3.075 ( -0.664 -5.971 1.611) 6.220 3.114 ( -2.103 -2.114 7.988) 8.526 3.381 ( -0.172 -4.550 -1.113) 4.687 3.428 ( -0.879 -10.337 -10.176) 14.532 3.617 ( 3.438 -6.581 -2.449) 7.818 3.932 ( 2.252 -12.246 6.377) 13.989 4.194 ( 1.306 -0.241 4.614) 4.801 4.307 ( -0.416 -3.446 2.995) 4.585 4.427 ( -4.461 4.534 -5.143) 8.180 4.608 ( -2.692 1.609 -0.608) 3.195 4.864 ( 0.727 -2.755 2.193) 3.595 4.920 ( 1.302 -1.495 1.873) 2.728 6.719 ( 0.018 -0.427 -2.600) 2.635 6.748 ( -0.831 -0.623 -1.902) 2.167 7.151 ( 1.666 1.230 0.427) 2.114 7.444 ( 2.842 -7.180 -2.524) 8.124 8.142 ( 1.351 -5.550 -2.062) 6.073 8.171 ( -4.673 -5.931 -2.766) 8.041 8.578 ( -2.935 -0.833 0.552) 3.100 8.659 ( -0.902 -3.649 -0.423) 3.783 9.037 ( -3.330 1.196 0.790) 3.626 9.135 ( 3.064 0.250 1.012) 3.237 9.369 ( 3.994 0.649 3.982) 5.678 9.454 ( 0.812 -3.850 5.666) 6.898 9.530 ( -1.413 3.497 5.013) 6.274 9.825 ( 2.415 -4.150 -0.362) 4.815 10.152 ( -1.353 2.044 -0.082) 2.452 10.301 ( -0.962 -2.292 1.540) 2.924 10.463 ( 1.715 4.008 -0.528) 4.391 10.525 ( 0.475 2.012 0.142) 2.073 10.770 ( -0.761 9.075 0.139) 9.108 10.866 ( -1.445 5.560 -0.408) 5.759 11.188 ( 2.516 3.420 4.499) 6.186 11.438 ( -0.688 -1.556 -0.105) 1.705 11.559 ( 6.054 -5.710 0.549) 8.340 11.835 ( -5.321 -9.260 -1.154) 10.742 12.320 ( -1.675 8.135 -10.148) 13.114 12.391 ( -2.874 6.739 -4.975) 8.856 12.940 ( 2.729 0.387 9.697) 10.081 13.122 ( 2.398 -2.877 2.644) 4.584 13.378 ( -0.325 8.907 -1.521) 9.041 13.661 ( 0.123 -1.672 -4.351) 4.663 15.246 ( -2.853 15.986 4.410) 16.826 15.496 ( 4.573 -3.723 3.661) 6.941 15.636 ( -3.265 -0.866 9.124) 9.729 16.262 ( 1.163 1.263 -4.656) 4.962 16.467 ( -2.315 -14.655 1.247) 14.889 16.772 ( 6.257 -10.856 -4.945) 13.471 16.910 ( -7.343 -0.501 -14.310) 16.092 16.944 ( -2.505 -1.897 -12.219) 12.616 17.756 ( 2.848 7.011 5.857) 9.570 17.984 ( 1.882 1.706 2.515) 3.575 19.221 ( 0.208 14.559 10.861) 18.165 20.186 ( -0.465 -14.738 -4.621) 15.452 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 5.864 19.796 0.900) 20.665 1.615 ( 1.633 16.412 10.513) 19.559 2.259 ( 4.039 0.558 -8.400) 9.338 2.389 ( 2.200 5.998 1.545) 6.573 2.432 ( 2.418 5.309 7.036) 9.140 2.795 ( -3.054 -1.260 -0.282) 3.316 2.942 ( -10.247 -12.655 -3.604) 16.677 3.126 ( -4.723 -5.392 1.641) 7.353 3.357 ( 1.743 -4.412 0.755) 4.804 3.426 ( 1.190 0.432 4.492) 4.667 3.591 ( -2.806 -6.636 -2.357) 7.581 3.954 ( -3.774 -6.053 -1.614) 7.313 4.263 ( 1.181 0.326 2.779) 3.038 4.312 ( -3.171 3.534 1.169) 4.890 4.379 ( 3.126 -3.932 3.283) 6.001 4.496 ( -6.258 -1.622 -3.643) 7.421 4.908 ( 0.322 -0.912 3.476) 3.608 4.953 ( -0.043 -1.560 0.746) 1.729 6.659 ( -3.040 0.274 -3.344) 4.528 6.706 ( -1.175 -2.462 -1.221) 2.989 7.172 ( -0.175 2.232 1.035) 2.466 7.451 ( 1.724 -5.024 -3.795) 6.528 8.014 ( -7.002 -5.313 -4.148) 9.719 8.109 ( -2.986 -7.862 -1.862) 8.614 8.583 ( 1.753 0.396 1.841) 2.573 8.727 ( 8.665 -4.411 0.812) 9.757 8.971 ( -3.406 -0.200 1.112) 3.589 9.172 ( -2.078 -3.615 0.830) 4.251 9.486 ( 4.516 2.565 1.213) 5.333 9.563 ( 2.534 1.551 7.323) 7.902 9.635 ( 4.823 -0.265 6.995) 8.501 9.881 ( 3.807 -2.792 1.037) 4.834 10.115 ( -2.416 1.345 -0.379) 2.791 10.264 ( -2.331 -2.682 -4.301) 5.579 10.469 ( -1.565 3.691 1.322) 4.221 10.538 ( -0.414 2.833 1.352) 3.167 10.738 ( 0.106 8.430 -0.927) 8.482 10.870 ( 0.865 2.880 2.406) 3.851 11.346 ( 2.219 2.679 4.317) 5.544 11.379 ( -0.362 1.262 0.183) 1.326 11.634 ( -0.318 -4.987 -4.491) 6.719 11.744 ( -4.458 -7.564 2.928) 9.255 12.196 ( 4.423 6.036 -6.704) 10.047 12.349 ( 3.671 0.238 -4.703) 5.971 13.082 ( 1.562 4.253 8.131) 9.308 13.204 ( 2.384 -0.302 2.221) 3.273 13.333 ( -2.260 7.817 -1.568) 8.287 13.579 ( -2.291 -1.255 -6.555) 7.056 15.286 ( 0.379 12.669 5.451) 13.797 15.606 ( -0.587 -1.731 7.227) 7.455 15.738 ( 2.379 -0.616 9.707) 10.013 16.214 ( 1.572 0.237 -8.575) 8.721 16.409 ( -4.948 -9.576 -0.357) 10.785 16.608 ( -3.998 -0.019 -17.929) 18.370 16.843 ( 4.380 -7.506 -5.418) 10.241 16.867 ( 11.831 -12.514 -5.332) 18.028 17.841 ( -0.721 10.450 3.604) 11.077 18.011 ( -0.902 7.138 0.630) 7.222 19.332 ( -4.257 7.279 14.070) 16.403 20.053 ( -6.919 -13.276 -7.065) 16.554 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 5.685 12.132 4.722) 14.206 1.749 ( 2.225 10.046 5.897) 11.859 2.134 ( -1.307 1.944 -11.384) 11.623 2.411 ( 4.585 5.763 -6.089) 9.555 2.472 ( -8.523 -2.380 -2.006) 9.074 2.719 ( -9.212 -3.568 1.390) 9.976 2.819 ( -0.970 -9.550 7.007) 11.885 3.095 ( -1.664 -4.577 2.689) 5.563 3.360 ( 0.162 -6.004 -3.125) 6.771 3.494 ( -4.819 -7.276 -1.244) 8.815 3.565 ( 0.334 3.682 12.888) 13.408 3.790 ( -7.990 -0.145 -6.680) 10.415 4.301 ( -2.053 -0.930 0.312) 2.275 4.315 ( -2.151 2.424 -0.897) 3.363 4.361 ( 0.882 -1.958 4.243) 4.755 4.496 ( 4.055 -2.165 2.647) 5.304 4.929 ( -2.116 -1.312 -0.590) 2.559 4.950 ( 0.059 -1.177 2.317) 2.599 6.566 ( -3.247 1.260 -2.632) 4.366 6.683 ( -1.833 -2.298 1.578) 3.336 7.160 ( -1.496 2.863 -1.490) 3.558 7.411 ( 1.021 -3.010 -6.009) 6.797 7.903 ( -2.778 -7.585 0.285) 8.083 8.024 ( -3.227 -9.807 -2.010) 10.518 8.644 ( -0.262 2.419 4.553) 5.162 8.917 ( 9.098 -2.677 2.620) 9.839 8.983 ( 4.131 -1.747 0.940) 4.583 9.116 ( -2.984 -7.465 -0.307) 8.045 9.548 ( 1.354 4.929 -1.083) 5.224 9.612 ( -5.823 1.139 6.112) 8.518 9.817 ( 8.274 -0.405 2.243) 8.582 9.962 ( 4.431 -0.801 -0.281) 4.512 10.070 ( -1.723 0.555 -0.720) 1.948 10.150 ( -1.837 -1.325 -6.716) 7.088 10.436 ( -5.505 3.274 4.585) 7.877 10.577 ( 2.824 1.230 3.643) 4.771 10.777 ( 3.572 6.779 0.228) 7.666 10.942 ( 2.928 0.512 3.699) 4.745 11.242 ( -4.332 -2.625 -3.960) 6.430 11.458 ( -0.714 5.201 -1.188) 5.382 11.477 ( -10.579 -6.854 -4.379) 13.344 11.742 ( 1.935 -0.332 3.940) 4.402 12.361 ( 13.547 3.744 2.270) 14.237 12.410 ( 9.383 -0.207 -2.467) 9.705 13.176 ( -0.405 6.378 5.466) 8.409 13.205 ( -2.260 3.806 -1.247) 4.599 13.302 ( -0.889 1.163 0.679) 1.613 13.434 ( -4.230 -1.517 -8.635) 9.734 15.364 ( 1.116 7.393 4.778) 8.873 15.624 ( -6.113 -0.523 5.971) 8.562 15.904 ( 3.552 -1.679 7.639) 8.590 16.064 ( -5.033 -6.113 -10.044) 12.790 16.377 ( 2.912 -0.408 -10.195) 10.611 16.434 ( 5.338 5.028 -2.471) 7.738 16.962 ( 10.860 -9.634 1.750) 14.622 17.039 ( 14.576 -13.733 -3.460) 20.323 17.783 ( -6.786 14.294 -2.593) 16.034 17.982 ( -2.951 8.461 -0.018) 8.960 19.399 ( -7.683 -0.128 14.357) 16.284 19.803 ( -11.586 -11.628 -8.541) 18.504 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 1.580 3.530 -10.102) 10.817 1.838 ( 1.650 1.786 8.483) 8.824 2.020 ( 1.416 5.087 -3.248) 6.199 2.258 ( -8.203 -6.727 -3.785) 11.263 2.441 ( 3.820 6.555 -0.906) 7.641 2.560 ( -11.517 -2.689 3.167) 12.243 2.914 ( -0.310 -8.237 6.080) 10.242 3.049 ( -6.346 -6.435 -1.100) 9.104 3.306 ( -2.698 -4.341 -2.058) 5.510 3.421 ( -2.662 -6.796 -0.500) 7.316 3.542 ( -8.194 2.680 -5.354) 10.148 3.678 ( -5.133 -2.735 5.218) 7.814 4.238 ( -0.288 2.367 2.462) 3.427 4.337 ( 2.197 2.192 -1.355) 3.387 4.475 ( 4.173 -0.573 3.729) 5.626 4.594 ( 4.010 -2.278 3.204) 5.616 4.867 ( -2.641 0.012 -2.380) 3.556 4.975 ( 0.181 -2.088 1.326) 2.479 6.500 ( -2.142 2.806 -0.719) 3.602 6.681 ( -1.828 -2.161 2.819) 3.995 7.089 ( -1.923 3.175 -3.842) 5.343 7.378 ( 2.737 -2.828 -4.766) 6.181 7.909 ( -1.993 -9.050 5.744) 10.903 7.982 ( 2.192 -9.295 -2.810) 9.955 8.661 ( -3.596 1.211 4.003) 5.516 8.974 ( -3.439 -3.642 1.054) 5.119 9.100 ( 5.482 -2.306 0.054) 5.947 9.169 ( 7.610 -1.718 1.937) 8.038 9.494 ( -1.862 3.486 -5.014) 6.385 9.533 ( -7.811 -0.709 2.129) 8.126 9.923 ( 2.061 -2.468 -0.364) 3.236 9.959 ( -4.356 0.506 -1.068) 4.514 10.076 ( 3.672 1.315 -0.761) 3.974 10.124 ( 6.612 0.569 -2.896) 7.241 10.433 ( -1.759 2.767 5.198) 6.146 10.694 ( 3.511 0.614 5.173) 6.282 10.820 ( 1.973 2.563 -1.458) 3.547 11.014 ( -0.140 -3.126 1.266) 3.376 11.151 ( -1.753 -2.895 -2.742) 4.356 11.265 ( -6.968 -4.938 -1.800) 8.728 11.407 ( 0.174 8.227 -3.050) 8.776 11.818 ( -0.566 -1.407 4.336) 4.594 12.566 ( 12.146 3.836 -0.506) 12.747 12.616 ( 9.848 5.265 1.533) 11.272 13.131 ( -3.000 4.639 -0.731) 5.572 13.202 ( -3.348 1.260 -1.369) 3.830 13.270 ( -1.847 -1.189 -4.465) 4.977 13.293 ( -1.767 -0.930 1.379) 2.427 15.407 ( -0.018 0.946 0.355) 1.011 15.570 ( -7.464 -3.433 5.299) 9.776 15.848 ( -1.281 -4.683 -10.075) 11.184 16.034 ( -2.419 -5.800 6.588) 9.104 16.378 ( 8.770 10.078 -2.018) 13.511 16.616 ( 12.568 7.772 2.204) 14.940 17.184 ( 12.379 -8.013 0.092) 14.746 17.282 ( 14.383 -12.178 2.488) 19.010 17.584 ( -9.925 14.264 -5.087) 18.107 17.899 ( -5.253 7.423 -2.627) 9.466 19.401 ( -10.026 -6.278 11.314) 16.369 19.487 ( -13.343 -10.094 -8.582) 18.804 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.935 0.840 -12.607) 12.782 1.926 ( -2.002 2.873 1.251) 3.719 2.080 ( 5.207 -7.234 1.526) 9.043 2.167 ( 0.762 -4.444 0.672) 4.559 2.439 ( -4.735 1.399 0.327) 4.948 2.521 ( 2.019 1.783 6.935) 7.440 2.878 ( -11.155 -5.788 -1.682) 12.679 2.912 ( -6.907 -8.261 4.132) 11.534 3.233 ( -3.779 -3.769 0.349) 5.348 3.314 ( -6.199 -2.597 -5.264) 8.537 3.439 ( 1.493 0.050 -1.263) 1.956 3.606 ( -5.172 -5.266 0.022) 7.381 4.302 ( 1.374 3.677 1.994) 4.403 4.354 ( 1.953 1.010 -1.007) 2.419 4.552 ( 3.900 0.173 -1.712) 4.263 4.695 ( 2.180 -4.571 2.861) 5.816 4.801 ( -1.127 2.795 -2.606) 3.984 4.986 ( 0.284 -2.642 -0.105) 2.659 6.472 ( -0.846 3.567 -0.277) 3.677 6.659 ( -2.635 -1.904 -0.825) 3.354 7.066 ( 1.120 3.306 2.329) 4.196 7.388 ( 3.203 -3.252 -2.110) 5.028 7.931 ( -0.636 -6.736 1.474) 6.924 8.042 ( 3.459 -8.889 3.735) 10.243 8.619 ( -4.792 -0.389 1.422) 5.013 8.918 ( -3.444 -7.156 -0.871) 7.989 9.114 ( 0.248 2.052 -2.458) 3.212 9.282 ( -1.611 4.273 2.060) 5.010 9.436 ( 2.653 2.082 -6.307) 7.152 9.477 ( 1.174 -5.816 2.681) 6.511 9.834 ( -6.219 0.762 -0.967) 6.339 9.930 ( -1.399 -1.854 0.801) 2.457 10.155 ( 4.684 3.509 -0.483) 5.873 10.224 ( 6.858 -0.620 -0.841) 6.937 10.466 ( -1.034 -2.825 3.082) 4.306 10.758 ( 2.214 5.139 -2.820) 6.266 10.834 ( 0.702 -3.475 0.374) 3.565 10.955 ( -3.851 -3.238 -0.906) 5.112 11.097 ( -1.175 -0.176 -2.638) 2.893 11.223 ( -0.317 -4.156 -0.163) 4.171 11.434 ( 3.595 8.771 1.675) 9.626 11.825 ( -2.876 -2.414 2.707) 4.629 12.682 ( 2.460 6.669 -2.974) 7.705 12.780 ( 10.353 7.559 0.114) 12.819 13.045 ( -2.593 -1.166 -4.093) 4.983 13.130 ( -2.192 1.669 -0.217) 2.763 13.249 ( 0.590 -3.057 -0.048) 3.113 13.304 ( -1.553 -0.536 4.092) 4.409 15.396 ( 0.969 -2.907 -1.880) 3.595 15.489 ( -7.044 -8.246 2.351) 11.097 15.794 ( 1.516 -1.436 -0.514) 2.151 16.034 ( -3.059 -6.727 3.139) 8.029 16.581 ( 10.430 16.030 6.019) 20.049 16.866 ( 13.214 9.344 2.645) 16.399 17.279 ( -10.072 16.340 -7.438) 20.585 17.354 ( 8.175 -4.020 -1.560) 9.243 17.625 ( 10.207 -11.256 8.567) 17.444 17.754 ( -4.531 2.174 -6.597) 8.293 19.175 ( -10.432 -9.906 -8.220) 16.569 19.335 ( -10.809 -10.484 6.833) 16.536 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 4.792 -1.558 -9.253) 10.536 1.794 ( -4.067 -1.847 -11.170) 12.031 2.171 ( 2.507 -2.789 6.050) 7.118 2.248 ( -3.613 -6.130 5.804) 9.182 2.466 ( 11.174 0.622 -0.945) 11.231 2.655 ( -12.381 -1.542 0.812) 12.503 2.673 ( 2.530 -5.178 8.375) 10.167 2.818 ( -8.218 -5.231 4.987) 10.944 3.146 ( -2.318 -1.017 -4.798) 5.425 3.258 ( 1.233 -3.347 1.915) 4.048 3.466 ( 2.164 -2.443 -1.103) 3.445 3.533 ( -2.825 -3.746 -0.570) 4.726 4.289 ( -0.947 2.443 -3.355) 4.257 4.368 ( 0.640 0.245 -2.020) 2.133 4.568 ( 1.818 -0.532 -4.467) 4.852 4.703 ( -1.003 -5.470 -2.189) 5.977 4.786 ( 1.100 4.217 -0.505) 4.387 4.983 ( -0.061 -2.879 -0.925) 3.024 6.451 ( -0.445 2.994 -1.663) 3.453 6.591 ( -1.497 -1.439 -3.844) 4.369 7.157 ( 0.921 3.419 8.481) 9.190 7.439 ( 3.001 -2.750 1.748) 4.430 7.921 ( -1.168 -3.299 -0.776) 3.585 8.154 ( 1.399 -8.922 7.413) 11.684 8.555 ( -3.141 -1.165 -0.360) 3.369 8.848 ( -0.893 -6.692 -2.804) 7.311 9.112 ( 0.544 1.245 0.695) 1.526 9.235 ( -2.555 3.436 0.442) 4.305 9.342 ( -0.190 0.073 -11.542) 11.544 9.597 ( 3.147 -5.215 3.155) 6.860 9.764 ( -1.301 1.946 1.989) 3.072 9.925 ( -0.484 -1.378 1.541) 2.123 10.189 ( 0.418 6.322 -1.089) 6.429 10.312 ( 4.146 -1.367 -0.952) 4.468 10.459 ( -2.258 -8.259 1.502) 8.693 10.765 ( 3.823 5.082 -4.145) 7.591 10.802 ( -3.309 -7.328 -3.068) 8.606 10.924 ( 0.291 2.845 0.957) 3.016 11.040 ( -0.615 0.908 -4.494) 4.626 11.200 ( -0.426 -2.634 -2.671) 3.776 11.517 ( 1.633 6.294 3.476) 7.373 11.798 ( -2.944 -2.664 1.386) 4.205 12.686 ( 2.699 6.672 -1.199) 7.297 12.898 ( 4.932 7.875 -2.612) 9.652 13.042 ( 3.221 -2.988 1.758) 4.732 13.074 ( -3.744 3.257 0.404) 4.979 13.267 ( 0.237 -1.584 1.175) 1.986 13.311 ( -2.350 -3.409 2.190) 4.684 15.411 ( 1.599 -5.797 -0.881) 6.078 15.424 ( -2.776 -7.671 2.989) 8.688 15.842 ( 0.853 -1.517 3.999) 4.361 16.024 ( -2.439 -5.260 3.533) 6.790 16.786 ( 2.407 17.131 4.056) 17.768 17.042 ( -4.609 12.456 -0.189) 13.282 17.127 ( 10.947 12.118 1.262) 16.379 17.369 ( -4.144 7.526 -3.505) 9.279 17.626 ( 1.212 -7.509 -6.439) 9.965 17.860 ( 4.344 -8.332 6.114) 11.211 18.996 ( 0.347 -12.327 -5.279) 13.415 19.208 ( -9.143 -12.750 0.726) 15.707 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 4.003 -1.516 -10.797) 11.615 1.669 ( 10.890 -4.924 -8.985) 14.952 2.213 ( -4.981 -0.665 4.083) 6.475 2.295 ( 3.085 -0.828 5.031) 5.959 2.438 ( -13.721 -1.283 4.241) 14.419 2.665 ( 6.180 -0.852 2.442) 6.700 2.751 ( -0.379 -3.576 3.399) 4.948 2.881 ( 4.648 -6.395 7.989) 11.240 3.129 ( 5.483 1.630 -2.174) 6.119 3.300 ( 1.692 -6.002 -0.996) 6.315 3.457 ( -0.553 -4.422 -2.999) 5.372 3.525 ( 1.217 -0.982 2.259) 2.747 4.218 ( -2.047 1.624 -2.986) 3.968 4.336 ( 0.636 -0.732 -4.436) 4.541 4.509 ( -1.296 -2.056 -6.277) 6.731 4.608 ( -2.973 -2.529 -7.371) 8.341 4.827 ( 2.273 1.347 1.928) 3.271 4.962 ( -0.679 -2.605 -1.444) 3.055 6.434 ( 1.147 1.771 -1.259) 2.457 6.529 ( 0.396 -1.263 -4.883) 5.060 7.263 ( -1.802 4.057 9.858) 10.811 7.515 ( 1.610 -1.945 3.811) 4.572 7.879 ( -3.268 -0.987 0.910) 3.532 8.234 ( -2.577 -8.899 7.109) 11.678 8.507 ( -0.893 -1.252 -1.866) 2.418 8.851 ( 3.395 -6.841 -0.823) 7.682 9.131 ( 1.249 -0.433 -0.894) 1.596 9.204 ( -0.118 -0.413 -9.796) 9.806 9.227 ( 1.039 3.113 -0.117) 3.284 9.592 ( -1.337 -5.871 -3.459) 6.944 9.854 ( 4.076 2.924 6.161) 7.945 9.956 ( 1.120 -0.728 2.780) 3.084 10.158 ( -0.730 5.904 -2.595) 6.490 10.319 ( -3.260 -1.324 0.249) 3.527 10.449 ( -1.384 -6.544 1.262) 6.806 10.641 ( -6.380 -5.146 -6.848) 10.681 10.808 ( 4.849 -0.009 -3.944) 6.250 10.946 ( 0.776 7.093 -0.069) 7.136 10.994 ( 2.652 -2.702 -5.517) 6.692 11.169 ( 1.455 -1.122 -1.933) 2.667 11.563 ( -1.415 4.876 4.610) 6.858 11.763 ( -1.647 -2.294 -0.514) 2.870 12.744 ( 2.270 7.082 1.578) 7.602 12.878 ( -4.683 6.674 -2.351) 8.485 13.058 ( 1.204 3.238 1.061) 3.615 13.112 ( 2.466 -1.341 -0.293) 2.822 13.289 ( -1.573 -4.243 1.209) 4.684 13.294 ( 0.863 -1.285 3.182) 3.538 15.413 ( -0.396 -5.796 2.196) 6.210 15.465 ( 1.140 -7.100 2.264) 7.539 15.891 ( -1.041 0.327 3.244) 3.422 16.044 ( -0.639 -3.404 5.201) 6.249 16.717 ( -7.005 11.219 0.954) 13.261 17.016 ( -7.807 10.172 2.574) 13.078 17.186 ( -2.414 7.271 -6.895) 10.307 17.392 ( 10.116 10.346 4.792) 15.242 17.599 ( 0.355 -6.229 -1.239) 6.361 17.907 ( -2.183 -1.244 1.068) 2.731 19.025 ( -1.229 -12.132 -5.737) 13.476 19.120 ( 9.582 -15.600 -0.263) 18.310 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.352 3.028 -13.044) 14.081 1.920 ( 22.597 -4.121 -3.010) 23.166 2.161 ( -9.358 14.452 2.248) 17.363 2.276 ( -4.063 -5.284 6.161) 9.077 2.454 ( 2.151 -6.920 7.776) 10.629 2.712 ( -3.124 -1.703 5.403) 6.469 2.797 ( 1.537 0.700 -1.614) 2.336 3.024 ( 3.180 -6.183 1.460) 7.105 3.204 ( 5.316 1.018 -3.767) 6.594 3.320 ( 3.627 -7.750 -0.708) 8.585 3.386 ( -1.809 -1.819 -5.445) 6.018 3.624 ( 6.017 -1.900 4.628) 7.825 4.190 ( 0.814 -0.603 0.018) 1.013 4.305 ( 1.132 -2.114 -2.218) 3.266 4.377 ( -4.477 -2.570 -6.716) 8.471 4.483 ( -0.812 -1.124 -7.533) 7.660 4.881 ( 1.160 -0.666 0.820) 1.569 4.935 ( -0.212 -1.737 -0.783) 1.917 6.474 ( 3.942 0.407 0.768) 4.037 6.502 ( 3.005 -0.699 -4.024) 5.070 7.297 ( -5.215 4.792 5.219) 8.798 7.560 ( -1.037 -1.352 2.574) 3.087 7.872 ( -1.021 -1.010 5.871) 6.044 8.227 ( -5.093 -7.574 3.507) 9.778 8.491 ( 0.677 -1.303 -0.076) 1.470 8.912 ( 3.436 -6.929 0.492) 7.750 9.095 ( -2.028 -5.654 -5.152) 7.914 9.116 ( -0.318 -4.300 -5.294) 6.828 9.282 ( 5.544 4.676 -0.577) 7.276 9.531 ( 0.135 -1.443 -4.243) 4.484 9.988 ( 2.318 3.212 4.299) 5.846 10.013 ( 1.424 0.520 3.261) 3.596 10.142 ( 1.817 2.774 0.142) 3.319 10.219 ( -7.320 1.667 -0.837) 7.554 10.355 ( -8.434 -5.093 -3.762) 10.546 10.522 ( 1.046 -4.179 -4.194) 6.012 10.797 ( -0.154 4.113 -3.643) 5.496 10.947 ( -2.254 -0.587 -3.160) 3.926 11.035 ( 10.677 -0.213 -1.093) 10.735 11.234 ( 6.161 0.601 0.760) 6.237 11.590 ( -2.179 1.225 5.272) 5.834 11.726 ( -1.372 -0.688 -1.705) 2.294 12.721 ( -9.210 6.873 -2.554) 11.772 12.726 ( -6.475 4.181 0.034) 7.707 13.081 ( 1.266 3.252 -1.146) 3.673 13.143 ( 1.977 2.934 0.109) 3.540 13.293 ( -0.104 -2.031 1.446) 2.496 13.390 ( 4.943 -4.420 3.777) 7.631 15.439 ( 0.891 -2.339 0.567) 2.567 15.491 ( -2.525 -4.962 4.006) 6.859 15.844 ( -4.839 4.340 -2.511) 6.968 16.149 ( 3.671 -5.569 7.922) 10.356 16.682 ( -1.884 4.064 5.578) 7.154 16.809 ( -15.454 11.419 2.057) 19.325 17.078 ( -2.119 -1.302 -8.240) 8.607 17.472 ( -4.681 -9.768 2.487) 11.113 17.719 ( 6.976 13.924 8.033) 17.524 17.867 ( -0.413 1.837 -3.229) 3.738 18.895 ( 1.030 -5.529 -11.510) 12.810 19.403 ( 17.838 -17.243 2.929) 24.982 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 5.262 13.505 -9.654) 17.415 1.999 ( -11.420 18.084 2.746) 21.564 2.273 ( 20.721 -1.215 -3.206) 21.003 2.328 ( -1.642 -5.564 3.836) 6.955 2.558 ( -0.656 -2.826 6.501) 7.118 2.642 ( -6.524 -0.589 -2.712) 7.090 2.828 ( 1.121 -1.236 4.642) 4.932 3.028 ( 2.910 -7.868 -0.716) 8.419 3.205 ( 0.548 6.330 -7.343) 9.710 3.345 ( 4.374 -6.147 -2.802) 8.048 3.391 ( 4.415 -8.186 1.865) 9.486 3.796 ( 6.907 -6.898 2.008) 9.966 4.188 ( 0.421 -0.363 -3.189) 3.237 4.256 ( -0.936 1.550 -2.800) 3.334 4.354 ( 2.072 -3.940 -0.171) 4.455 4.428 ( 2.080 -3.393 1.212) 4.161 4.860 ( -1.099 0.101 -2.668) 2.887 4.953 ( 0.771 -2.047 1.021) 2.414 6.533 ( 5.672 -0.142 -2.639) 6.257 6.585 ( 5.836 -0.413 2.722) 6.453 7.218 ( -6.374 4.701 -0.318) 7.927 7.539 ( -2.269 -2.819 -0.990) 3.752 7.980 ( 2.298 -1.444 9.357) 9.743 8.178 ( -2.739 -5.922 0.662) 6.558 8.531 ( 1.467 -0.637 3.423) 3.778 8.939 ( -5.166 -3.647 -2.220) 6.702 8.993 ( 2.091 -10.781 -2.377) 11.237 9.054 ( -1.689 -7.465 -2.323) 7.999 9.366 ( 4.923 2.674 -1.240) 5.738 9.491 ( 0.471 0.692 -4.362) 4.442 9.959 ( -11.384 2.505 -1.045) 11.703 10.014 ( -2.477 2.660 -0.730) 3.708 10.123 ( -3.915 -0.190 2.850) 4.846 10.212 ( 2.198 1.055 -3.278) 4.085 10.244 ( 5.119 1.537 2.028) 5.717 10.519 ( 2.172 -0.818 -2.084) 3.120 10.754 ( -0.314 4.486 -2.466) 5.128 10.870 ( -3.225 1.817 -1.093) 3.860 11.218 ( 9.899 -2.496 0.177) 10.210 11.351 ( 5.276 4.262 0.062) 6.783 11.580 ( -2.129 -4.053 -2.006) 4.998 11.715 ( -0.384 -0.553 5.032) 5.077 12.539 ( -8.629 6.574 -0.271) 10.851 12.591 ( -7.913 1.558 -0.301) 8.070 13.024 ( -3.386 3.952 -4.454) 6.850 13.220 ( 4.845 5.380 1.607) 7.416 13.283 ( -2.516 -1.916 -0.345) 3.181 13.521 ( 5.859 -4.521 2.274) 7.742 15.434 ( 0.388 1.534 -3.778) 4.096 15.476 ( -6.829 4.756 6.687) 10.676 15.719 ( -4.537 -2.413 -2.996) 5.949 16.292 ( 3.835 -7.787 1.954) 8.897 16.610 ( -10.963 11.043 6.084) 16.707 16.761 ( -0.224 0.132 6.559) 6.564 16.952 ( -1.740 -3.469 -4.416) 5.879 17.406 ( -7.953 -11.389 5.699) 15.014 17.800 ( -1.530 3.488 -3.221) 4.988 17.888 ( 3.776 5.413 0.754) 6.643 18.835 ( 7.652 6.795 -9.925) 14.256 19.736 ( 16.859 -17.139 2.806) 24.205 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.682 22.066 -4.918) 22.905 1.847 ( -8.707 20.301 -1.090) 22.117 2.192 ( -16.435 6.369 4.173) 18.113 2.335 ( -4.532 -1.922 -8.683) 9.982 2.590 ( 7.882 -1.049 -1.004) 8.015 2.735 ( 8.156 0.571 8.257) 11.620 2.919 ( 2.184 -1.387 4.597) 5.275 3.037 ( -2.576 -2.497 -3.938) 5.327 3.275 ( 14.407 -5.192 1.063) 15.351 3.377 ( 2.500 -6.941 -2.177) 7.692 3.512 ( 5.947 -9.942 2.350) 11.821 3.827 ( 0.641 -12.326 -6.240) 13.830 4.146 ( -0.141 0.281 -2.590) 2.609 4.300 ( 0.933 0.058 2.500) 2.670 4.360 ( 3.445 -0.317 2.119) 4.057 4.559 ( 4.062 -2.337 5.917) 7.549 4.805 ( -0.635 0.971 -3.479) 3.667 4.959 ( -0.953 -2.572 -0.122) 2.746 6.617 ( 6.827 0.335 -1.592) 7.018 6.713 ( 4.403 -0.430 2.892) 5.285 7.119 ( -2.310 3.192 -2.361) 4.594 7.480 ( -1.178 -5.520 -3.310) 6.544 8.116 ( 1.912 -2.712 3.984) 5.185 8.168 ( 0.945 -5.278 2.159) 5.781 8.601 ( -0.002 0.351 5.157) 5.169 8.795 ( -5.398 -5.783 -2.713) 8.363 8.977 ( -3.412 -5.581 1.106) 6.635 9.079 ( 5.412 -7.386 -0.332) 9.162 9.406 ( 0.668 -0.227 -1.353) 1.526 9.442 ( -0.840 0.649 -2.513) 2.728 9.711 ( -13.834 5.054 -1.350) 14.790 9.901 ( -6.459 -2.009 -2.107) 7.085 10.118 ( 1.228 2.251 0.718) 2.663 10.283 ( 2.319 -0.962 1.752) 3.062 10.352 ( 6.316 5.182 0.086) 8.171 10.522 ( 0.690 2.049 -1.906) 2.882 10.732 ( 0.481 4.406 -1.951) 4.843 10.842 ( -0.518 3.964 2.614) 4.776 11.305 ( -2.609 1.779 -2.648) 4.121 11.367 ( 1.987 3.224 0.441) 3.813 11.539 ( 2.513 -5.567 -5.571) 8.267 11.808 ( 1.372 -5.574 7.268) 9.261 12.469 ( -1.929 7.382 0.440) 7.642 12.489 ( -4.023 4.730 3.888) 7.326 12.892 ( -4.768 0.917 -5.188) 7.106 13.200 ( -4.823 -3.441 -2.352) 6.374 13.314 ( 4.153 7.307 0.893) 8.452 13.626 ( 4.591 -3.509 0.226) 5.782 15.369 ( -2.738 12.957 -3.555) 13.712 15.421 ( -6.523 3.972 5.064) 9.163 15.646 ( -2.907 -9.211 0.573) 9.676 16.302 ( 0.167 -0.913 -2.510) 2.676 16.545 ( -6.305 -4.588 4.494) 9.000 16.792 ( 0.270 -3.245 -1.380) 3.537 16.979 ( 3.685 1.554 4.016) 5.668 17.342 ( -8.769 -7.553 6.071) 13.070 17.718 ( -2.157 2.510 -4.639) 5.698 17.897 ( 2.019 -3.411 -4.745) 6.183 18.920 ( 9.250 17.351 -1.364) 19.710 20.011 ( 12.693 -16.654 1.015) 20.964 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 2.414 23.638 0.364) 23.763 1.652 ( -7.118 20.874 -6.993) 23.137 2.064 ( -11.502 18.253 17.153) 27.563 2.186 ( -1.934 -3.109 -4.382) 5.710 2.675 ( 1.650 -1.113 -2.238) 2.995 2.881 ( 0.522 2.641 -8.571) 8.983 2.948 ( 5.419 -1.753 7.042) 9.057 3.061 ( 1.486 -2.288 5.642) 6.267 3.382 ( 1.840 -6.347 -2.730) 7.150 3.511 ( 10.767 -8.008 -2.323) 13.618 3.580 ( 0.875 -12.386 -5.369) 13.528 3.796 ( 2.766 -13.495 3.405) 14.190 4.142 ( 0.338 0.159 1.648) 1.689 4.300 ( -1.739 -4.095 1.968) 4.865 4.482 ( 2.760 3.292 2.264) 4.856 4.623 ( -1.117 3.654 0.637) 3.874 4.806 ( 3.294 -2.790 0.789) 4.388 4.923 ( -2.118 -2.506 -0.556) 3.328 6.704 ( 5.160 -0.195 -1.987) 5.533 6.768 ( -0.383 0.859 0.733) 1.192 7.110 ( 3.030 1.025 -1.126) 3.391 7.439 ( 1.296 -7.555 -3.398) 8.384 8.137 ( 1.703 -4.520 -1.999) 5.227 8.218 ( -0.192 -6.166 1.090) 6.265 8.622 ( -3.692 -0.355 3.639) 5.196 8.715 ( -4.127 -3.831 0.742) 5.679 8.978 ( 3.028 -0.850 1.148) 3.348 9.150 ( 0.537 -3.350 0.541) 3.436 9.344 ( -2.128 1.583 -2.549) 3.679 9.409 ( -3.130 -3.014 2.622) 5.075 9.547 ( -6.001 4.593 3.326) 8.256 9.816 ( -0.669 -3.778 -1.606) 4.159 10.151 ( 1.129 2.452 0.572) 2.760 10.301 ( -1.413 -1.539 1.516) 2.581 10.433 ( 2.803 4.394 -0.192) 5.216 10.517 ( 0.986 1.660 -0.934) 2.145 10.740 ( 2.344 7.731 0.033) 8.079 10.879 ( 0.294 5.703 1.489) 5.902 11.195 ( -5.151 3.779 -0.122) 6.390 11.409 ( 2.302 -3.465 -0.357) 4.175 11.519 ( 2.031 -3.486 -3.323) 5.227 11.882 ( -0.939 -9.001 3.161) 9.586 12.411 ( -1.652 7.991 -3.067) 8.717 12.513 ( -1.566 14.331 -2.188) 14.581 12.813 ( -0.532 -5.239 4.134) 6.695 13.108 ( -2.453 -4.644 -0.865) 5.323 13.372 ( 2.300 8.449 -0.387) 8.766 13.676 ( 2.504 -2.476 -2.049) 4.074 15.282 ( -5.856 17.987 2.295) 19.055 15.412 ( 1.513 -2.399 1.177) 3.071 15.619 ( -4.365 -5.278 5.380) 8.709 16.284 ( 1.054 1.796 -2.581) 3.316 16.494 ( -3.320 -13.453 1.369) 13.924 16.765 ( 1.996 -7.648 -5.023) 9.365 17.048 ( 0.396 2.005 -2.311) 3.085 17.198 ( -9.269 -2.167 -5.794) 11.144 17.669 ( 1.017 3.708 0.534) 3.882 17.913 ( 3.254 -4.161 0.438) 5.300 19.076 ( 5.366 18.950 5.778) 20.525 20.172 ( 6.518 -15.869 -1.701) 17.239 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.864 14.050 3.225) 14.441 1.894 ( 0.321 9.432 -3.613) 10.105 2.159 ( 6.073 1.943 2.845) 6.982 2.300 ( 2.927 -5.632 4.682) 7.886 2.669 ( -7.411 10.557 -8.972) 15.712 2.873 ( -1.290 2.640 1.102) 3.138 2.896 ( -4.389 -8.815 -7.843) 12.589 3.018 ( -1.905 -7.665 7.003) 10.555 3.336 ( 1.989 1.747 -1.915) 3.267 3.375 ( 0.984 0.636 2.412) 2.682 3.523 ( 3.877 -0.589 -0.304) 3.934 3.671 ( 2.948 -12.990 8.491) 15.796 4.202 ( 0.811 1.214 4.495) 4.726 4.243 ( 0.218 -2.862 3.648) 4.642 4.522 ( -4.676 4.718 -3.487) 7.502 4.598 ( -4.567 -2.633 -2.586) 5.872 4.854 ( 1.912 1.400 2.714) 3.603 4.890 ( 1.538 -1.795 1.929) 3.051 6.714 ( 0.004 0.302 -3.275) 3.289 6.731 ( -1.264 -1.204 -3.090) 3.549 7.207 ( 2.337 4.331 0.448) 4.941 7.312 ( 2.786 -6.277 -0.637) 6.897 8.068 ( -1.042 -1.787 -1.795) 2.739 8.079 ( -3.199 -2.939 -2.073) 4.813 8.574 ( -1.992 0.529 -0.336) 2.088 8.601 ( -1.366 -2.218 -0.523) 2.657 9.071 ( -3.102 2.270 1.376) 4.083 9.117 ( -0.376 -2.026 1.575) 2.593 9.376 ( 4.078 0.669 3.542) 5.443 9.401 ( 5.113 -1.773 4.114) 6.798 9.623 ( -1.153 5.377 3.796) 6.682 9.730 ( 0.679 -5.400 2.253) 5.891 10.196 ( -1.086 2.522 -0.662) 2.824 10.249 ( -0.807 -2.839 -0.320) 2.968 10.527 ( 1.697 2.361 -0.049) 2.908 10.549 ( 1.152 0.157 0.503) 1.267 10.904 ( -2.207 4.479 0.229) 4.999 10.939 ( -3.240 1.160 0.422) 3.467 11.264 ( 5.530 4.663 2.338) 7.602 11.367 ( 5.592 -5.458 1.219) 7.908 11.543 ( -0.007 3.814 -1.321) 4.036 11.664 ( -3.481 -7.955 -1.061) 8.748 12.446 ( -4.777 4.500 -9.049) 11.178 12.479 ( -6.725 1.477 -9.380) 11.635 12.970 ( 5.469 3.051 10.294) 12.049 13.049 ( 4.286 -4.435 6.301) 8.818 13.525 ( -0.198 6.084 -1.948) 6.391 13.615 ( 0.009 -3.270 -3.048) 4.470 15.417 ( -1.218 2.036 3.111) 3.912 15.444 ( 2.559 -1.718 3.429) 4.611 15.792 ( -2.521 16.468 8.549) 18.725 16.144 ( -2.112 -18.121 3.673) 18.610 16.353 ( 2.061 7.821 -5.062) 9.541 16.547 ( 3.760 -11.458 -4.849) 12.997 16.908 ( -5.833 0.184 -15.793) 16.837 16.918 ( -4.584 -0.906 -14.914) 15.629 17.880 ( 3.562 5.603 8.679) 10.928 17.967 ( 3.169 -3.075 8.304) 9.404 19.538 ( -0.237 17.390 2.869) 17.626 19.876 ( -0.465 -16.928 -1.769) 17.027 ======================= Grid point 144 (76/170) ======================= q-point: ( 0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 2.980 10.658 0.023) 11.067 1.904 ( 0.798 8.827 2.437) 9.192 2.304 ( 2.588 5.702 -0.487) 6.281 2.418 ( 3.271 -1.961 -0.178) 3.818 2.473 ( 2.728 0.902 -3.664) 4.657 2.634 ( -8.183 -15.682 -11.005) 20.832 2.876 ( -6.164 7.726 5.429) 11.277 3.025 ( -6.540 -6.889 5.825) 11.143 3.320 ( -0.029 2.139 -2.318) 3.154 3.405 ( -1.215 -5.165 0.227) 5.311 3.582 ( 0.058 7.695 6.814) 10.278 3.780 ( -0.755 -10.873 5.915) 12.401 4.278 ( 2.094 1.386 3.245) 4.103 4.317 ( 3.184 -2.575 3.313) 5.268 4.391 ( -5.167 4.019 -1.666) 6.755 4.457 ( -6.474 -2.649 -3.523) 7.832 4.907 ( 0.211 0.742 2.773) 2.879 4.928 ( -0.048 -1.199 1.558) 1.967 6.659 ( -1.945 0.011 -3.514) 4.017 6.669 ( -1.062 -1.216 -2.433) 2.920 7.240 ( 0.965 4.632 0.271) 4.739 7.344 ( 1.981 -5.720 -1.476) 6.230 7.950 ( -7.087 -0.887 -3.812) 8.096 7.985 ( -5.409 -4.392 -2.799) 7.509 8.606 ( 5.404 1.905 1.254) 5.866 8.654 ( 7.817 -3.049 1.110) 8.464 8.993 ( -6.273 2.754 1.632) 7.043 9.076 ( -6.219 -5.362 1.680) 8.382 9.530 ( 7.002 2.544 3.337) 8.163 9.575 ( 6.421 -1.460 5.326) 8.469 9.690 ( 3.087 5.505 4.990) 8.046 9.801 ( 3.360 -5.275 3.713) 7.273 10.151 ( -2.050 2.369 -2.352) 3.918 10.205 ( -1.892 -3.073 -3.665) 5.143 10.535 ( -1.738 2.741 0.683) 3.316 10.565 ( -0.867 -0.142 1.061) 1.377 10.861 ( -0.997 4.168 0.143) 4.288 10.901 ( -1.028 -0.030 1.334) 1.684 11.376 ( -1.775 2.437 -4.457) 5.381 11.424 ( 3.814 -0.423 -0.555) 3.877 11.563 ( -0.699 -0.043 1.678) 1.818 11.626 ( 1.096 -4.894 5.514) 7.454 12.292 ( 2.097 3.730 -7.322) 8.481 12.340 ( 1.808 -1.315 -6.588) 6.957 13.146 ( 2.943 2.665 7.479) 8.468 13.188 ( 3.170 -1.529 5.222) 6.298 13.465 ( -3.526 5.460 -2.902) 7.118 13.543 ( -3.209 -2.693 -4.643) 6.254 15.454 ( -0.632 5.145 4.767) 7.042 15.538 ( 0.847 -4.249 6.039) 7.432 15.867 ( -0.974 12.187 8.747) 15.033 16.120 ( -3.295 -11.985 -2.262) 12.634 16.374 ( 6.684 7.891 -3.866) 11.040 16.588 ( 8.368 -11.100 -12.279) 18.547 16.646 ( -1.336 0.510 -8.847) 8.962 16.721 ( 1.419 -5.539 -10.241) 11.729 18.007 ( 0.254 6.430 6.255) 8.974 18.077 ( -0.003 -0.367 5.144) 5.157 19.524 ( -6.270 12.115 4.469) 14.355 19.784 ( -7.126 -14.068 -2.648) 15.990 ======================= Grid point 145 (77/170) ======================= q-point: ( 0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 2.987 7.426 -2.230) 8.309 1.925 ( -2.447 6.671 2.731) 7.612 2.160 ( -4.049 2.173 -9.215) 10.297 2.312 ( -10.252 -11.017 -8.668) 17.367 2.527 ( 5.591 5.960 -0.642) 8.197 2.649 ( 4.940 -7.189 5.533) 10.329 2.790 ( -9.543 8.335 3.530) 13.153 2.971 ( -5.592 -8.715 3.831) 11.041 3.284 ( -1.751 -0.388 -1.457) 2.311 3.347 ( -4.030 -6.234 -0.695) 7.456 3.665 ( -2.647 5.626 7.653) 9.860 3.759 ( -5.884 -3.501 -0.409) 6.859 4.299 ( -2.734 0.839 0.316) 2.878 4.321 ( -0.757 -1.169 2.822) 3.147 4.383 ( 2.010 3.008 1.854) 4.066 4.443 ( 4.107 -3.073 2.169) 5.570 4.919 ( -1.560 0.235 0.720) 1.734 4.931 ( -0.783 -0.840 1.588) 1.960 6.594 ( -1.979 1.701 -1.611) 3.067 6.634 ( -1.390 -2.454 0.097) 2.822 7.238 ( -0.012 4.873 -2.691) 5.566 7.335 ( 1.165 -4.719 -4.471) 6.604 7.814 ( -4.216 -1.025 -0.846) 4.420 7.865 ( -4.092 -5.930 -1.788) 7.424 8.730 ( 2.254 6.164 3.904) 7.636 8.854 ( 10.569 -5.068 3.571) 12.254 8.949 ( 0.200 -0.782 1.803) 1.976 8.982 ( -4.409 -4.705 1.134) 6.547 9.624 ( 0.136 3.265 0.129) 3.270 9.657 ( -3.879 0.945 3.721) 5.458 9.830 ( 7.439 2.619 1.169) 7.972 9.910 ( 4.953 -4.296 1.524) 6.731 10.088 ( -0.978 1.261 -2.642) 3.087 10.118 ( -1.075 -1.759 -4.937) 5.350 10.507 ( -3.810 3.822 4.093) 6.773 10.569 ( -0.753 -2.146 3.959) 4.566 10.878 ( 1.576 3.841 0.099) 4.153 10.931 ( 1.620 -1.627 1.513) 2.750 11.237 ( -4.958 2.204 -5.536) 7.751 11.322 ( -6.327 -6.392 -6.288) 10.974 11.606 ( -0.740 7.138 1.854) 7.412 11.712 ( 1.388 -3.419 3.949) 5.405 12.403 ( 12.639 0.903 0.625) 12.686 12.410 ( 11.819 0.049 -0.066) 11.819 13.241 ( 0.471 2.024 3.595) 4.153 13.262 ( 0.449 0.444 2.283) 2.368 13.346 ( -5.927 3.232 -3.074) 7.418 13.400 ( -5.999 -2.124 -6.408) 9.031 15.478 ( -3.041 5.001 3.581) 6.862 15.571 ( -5.207 -4.419 5.013) 8.472 15.927 ( -0.903 2.289 2.200) 3.300 15.974 ( -4.471 -3.116 -7.958) 9.645 16.461 ( 8.618 9.212 -4.395) 13.358 16.561 ( 9.949 6.568 -2.391) 12.159 16.740 ( 11.306 -12.040 -0.425) 16.521 16.785 ( 12.469 -10.889 -2.845) 16.797 18.008 ( -4.832 8.170 -0.063) 9.492 18.080 ( -3.650 0.928 0.878) 3.867 19.441 ( -10.623 4.818 5.905) 13.074 19.587 ( -12.100 -9.899 -2.694) 15.864 ======================= Grid point 146 (78/170) ======================= q-point: ( 0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.116 6.248 -7.741) 10.010 1.912 ( -1.047 5.436 2.450) 6.053 2.011 ( -2.499 -4.292 -6.099) 7.865 2.088 ( -6.583 -9.620 -3.004) 12.038 2.580 ( 0.069 7.018 2.107) 7.327 2.635 ( -10.758 6.254 6.026) 13.826 2.777 ( 1.207 -3.484 1.302) 3.910 2.901 ( -7.012 -9.430 0.987) 11.792 3.233 ( -2.162 -1.171 -1.526) 2.894 3.282 ( -2.812 -5.748 -0.571) 6.424 3.592 ( -8.015 2.080 -2.505) 8.651 3.631 ( -7.526 -2.155 -0.062) 7.828 4.322 ( 1.453 5.231 5.373) 7.638 4.388 ( 1.882 0.694 1.644) 2.593 4.455 ( 3.777 0.280 3.069) 4.874 4.521 ( 3.775 -4.526 -0.032) 5.894 4.893 ( -1.245 2.107 -0.523) 2.502 4.935 ( -0.429 -2.112 0.766) 2.287 6.558 ( -1.551 3.195 0.439) 3.578 6.624 ( -1.458 -3.427 1.710) 4.098 7.181 ( -0.669 5.880 -4.419) 7.385 7.297 ( 1.306 -5.473 -4.780) 7.383 7.800 ( -0.104 -1.830 3.572) 4.015 7.836 ( 1.665 -5.160 0.169) 5.425 8.726 ( -4.940 5.439 2.457) 7.747 8.858 ( -5.882 -7.455 0.623) 9.516 9.087 ( 8.930 1.221 2.761) 9.426 9.129 ( 10.581 -2.515 4.257) 11.679 9.535 ( -5.729 1.497 -4.547) 7.466 9.549 ( -7.516 0.604 -2.614) 7.981 9.906 ( 0.585 0.911 -0.582) 1.229 9.942 ( -2.496 -1.997 -0.677) 3.267 10.099 ( 4.955 1.085 -1.121) 5.195 10.119 ( 6.338 -0.889 -2.013) 6.709 10.514 ( -3.519 5.656 6.435) 9.262 10.635 ( -0.524 -5.971 7.490) 9.593 10.876 ( 0.716 3.719 -4.068) 5.558 10.950 ( 0.309 -3.564 -2.317) 4.263 11.137 ( -1.158 0.941 -1.920) 2.431 11.178 ( -2.873 -3.277 -2.264) 4.911 11.597 ( -0.136 9.574 -0.325) 9.581 11.750 ( -0.872 -5.756 2.174) 6.215 12.638 ( 13.114 3.304 2.755) 13.802 12.673 ( 12.396 0.311 3.498) 12.884 13.173 ( -4.979 0.982 -4.874) 7.036 13.197 ( -6.740 -1.427 -8.114) 10.644 13.277 ( -1.942 1.117 1.148) 2.517 13.288 ( -1.796 -0.012 2.808) 3.333 15.428 ( -4.489 1.893 -0.259) 4.879 15.490 ( -7.899 -4.261 1.386) 9.082 15.837 ( -1.125 2.767 -4.448) 5.357 15.922 ( -1.952 -5.430 0.956) 5.848 16.639 ( 12.116 15.572 3.934) 20.118 16.779 ( 14.137 8.004 1.801) 16.346 16.986 ( 14.915 -13.771 -0.543) 20.307 17.005 ( 15.347 -11.358 3.059) 19.336 17.852 ( -9.133 11.206 -5.583) 15.497 17.975 ( -7.153 -0.849 -3.393) 7.962 19.308 ( -13.013 -2.445 4.847) 14.100 19.332 ( -14.334 -5.028 -1.591) 15.274 ======================= Grid point 147 (79/170) ======================= q-point: ( 0.36 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -3.645 7.796 -11.795) 14.601 1.876 ( -3.718 -9.494 -9.659) 14.045 1.991 ( 2.691 1.361 7.882) 8.439 2.062 ( 1.916 -5.265 3.601) 6.661 2.543 ( -5.812 7.413 1.697) 9.571 2.596 ( -3.784 4.322 6.461) 8.646 2.751 ( -6.053 -6.765 1.402) 9.185 2.771 ( -8.547 -5.603 1.786) 10.375 3.173 ( -2.719 -0.787 -1.360) 3.140 3.223 ( -2.597 -5.121 -2.049) 6.097 3.465 ( -3.020 2.056 -1.604) 3.990 3.518 ( -4.044 -3.536 -0.950) 5.455 4.394 ( 0.809 4.313 -0.586) 4.427 4.404 ( 1.382 2.909 -0.795) 3.317 4.539 ( 3.530 -0.718 -0.738) 3.677 4.587 ( 1.964 -5.278 2.285) 6.077 4.872 ( 0.013 3.576 -1.252) 3.789 4.934 ( 0.084 -2.850 -0.542) 2.902 6.541 ( -1.169 3.459 -0.113) 3.653 6.607 ( -1.823 -3.221 -0.488) 3.734 7.162 ( 1.422 6.218 1.095) 6.472 7.290 ( 2.093 -6.403 -0.586) 6.762 7.860 ( 1.845 -0.498 3.032) 3.584 7.905 ( 3.259 -4.897 3.455) 6.822 8.657 ( -4.861 4.254 0.414) 6.472 8.773 ( -4.375 -7.201 -0.463) 8.439 9.188 ( 1.889 5.565 -1.697) 6.117 9.317 ( 5.896 -6.477 -0.390) 8.767 9.386 ( -4.960 3.538 -1.698) 6.325 9.450 ( 0.547 -1.699 -2.252) 2.874 9.853 ( -4.593 1.201 -0.393) 4.764 9.888 ( -2.584 -2.301 0.962) 3.592 10.194 ( 6.625 0.960 -0.787) 6.740 10.212 ( 6.079 -0.828 -1.346) 6.281 10.498 ( -5.590 6.208 3.371) 9.008 10.667 ( -3.891 -10.120 3.011) 11.253 10.856 ( 3.141 4.615 -3.590) 6.637 10.925 ( 2.090 -2.152 -3.293) 4.455 11.120 ( -0.110 1.818 -0.826) 2.000 11.161 ( -0.092 -2.457 0.518) 2.512 11.608 ( 1.011 8.495 0.836) 8.596 11.748 ( -1.713 -5.613 1.619) 6.088 12.809 ( 2.850 5.951 -1.516) 6.771 12.880 ( 8.609 0.648 2.898) 9.107 13.015 ( -2.545 1.450 -6.542) 7.168 13.103 ( 1.763 -5.097 0.203) 5.397 13.240 ( -3.159 2.145 0.307) 3.830 13.281 ( -2.615 -1.752 1.871) 3.662 15.357 ( -2.421 -0.728 -0.823) 2.658 15.379 ( -5.715 -3.163 0.703) 6.570 15.814 ( -0.171 3.279 1.402) 3.571 15.908 ( -1.906 -5.975 2.501) 6.752 16.905 ( 11.616 16.044 5.134) 20.463 17.049 ( 13.628 8.183 3.975) 16.386 17.206 ( 14.000 -7.905 -2.801) 16.320 17.339 ( 15.052 -14.043 7.657) 21.964 17.597 ( -11.155 12.864 -7.563) 18.631 17.770 ( -9.757 -3.665 -6.550) 12.310 19.062 ( -12.945 -0.662 -2.868) 13.275 19.145 ( -12.600 -8.151 3.007) 15.305 ======================= Grid point 148 (80/170) ======================= q-point: ( 0.45 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.963 5.763 -12.146) 13.767 1.686 ( -1.357 -8.160 -13.989) 16.252 2.136 ( 0.712 0.093 9.535) 9.562 2.170 ( 0.557 -2.814 7.222) 7.771 2.504 ( 2.028 3.568 0.963) 4.216 2.586 ( -5.668 -3.721 4.073) 7.909 2.669 ( -5.940 0.912 5.010) 7.824 2.704 ( -3.581 -4.274 5.955) 8.158 3.126 ( -0.593 0.400 -1.186) 1.385 3.183 ( 0.322 -4.480 -0.470) 4.516 3.434 ( -0.152 0.324 -0.936) 1.002 3.471 ( -0.875 -2.856 -0.621) 3.051 4.357 ( -0.203 3.796 -4.961) 6.250 4.396 ( 0.235 0.797 -3.853) 3.941 4.552 ( 0.865 0.229 -3.861) 3.963 4.606 ( -0.139 -4.441 -1.897) 4.831 4.863 ( 0.512 3.578 -1.041) 3.761 4.926 ( 0.091 -2.983 -1.019) 3.153 6.508 ( -0.903 2.731 -2.403) 3.749 6.555 ( -1.199 -2.169 -3.282) 4.113 7.242 ( 1.394 5.255 7.232) 9.048 7.352 ( 1.966 -5.636 4.605) 7.539 7.914 ( 0.052 2.305 2.980) 3.767 8.001 ( 0.822 -6.418 6.137) 8.917 8.588 ( -2.335 4.356 -1.258) 5.100 8.707 ( -1.466 -7.283 -1.750) 7.633 9.176 ( 0.511 4.943 -1.890) 5.317 9.275 ( -1.244 -3.645 -3.643) 5.302 9.342 ( 0.177 4.731 -6.156) 7.766 9.468 ( 1.638 -7.120 -2.288) 7.656 9.820 ( -0.565 3.216 3.561) 4.832 9.882 ( -0.665 -2.952 2.981) 4.248 10.275 ( 3.619 1.179 -0.590) 3.852 10.294 ( 4.123 -1.090 0.535) 4.298 10.418 ( -5.701 6.073 0.057) 8.330 10.600 ( -4.103 -10.863 -2.134) 11.806 10.868 ( 2.927 4.801 -4.027) 6.916 10.938 ( 2.920 -1.917 -2.701) 4.416 11.092 ( -1.153 3.221 -2.177) 4.056 11.148 ( -0.965 -2.656 -1.285) 3.105 11.641 ( 0.553 5.881 1.988) 6.232 11.736 ( -1.828 -3.876 1.577) 4.566 12.811 ( 2.366 6.012 -1.105) 6.555 12.917 ( 1.888 -4.663 -1.969) 5.403 13.072 ( 5.074 5.584 1.789) 7.754 13.132 ( -3.078 1.198 0.311) 3.317 13.219 ( 1.320 -2.200 1.979) 3.240 13.243 ( -3.227 -3.321 0.863) 4.710 15.326 ( -2.024 -1.686 1.862) 3.226 15.338 ( -0.586 -2.553 1.400) 2.970 15.849 ( 0.041 2.251 4.464) 4.999 15.922 ( -1.059 -4.882 4.351) 6.625 17.092 ( 4.142 13.560 0.842) 14.204 17.280 ( 0.495 3.520 -11.126) 11.680 17.286 ( 1.417 5.241 5.474) 7.709 17.453 ( 3.742 6.185 -0.534) 7.249 17.492 ( -3.660 -4.724 -3.821) 7.093 17.687 ( 8.564 -10.285 9.622) 16.483 18.859 ( -4.855 -0.351 -4.411) 6.569 18.972 ( -8.316 -10.464 -1.620) 13.464 ======================= Grid point 149 (81/170) ======================= q-point: (-0.45 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 8.357 2.222 -13.195) 15.776 1.578 ( 11.582 -4.263 -12.286) 17.414 2.191 ( -4.780 0.045 8.091) 9.398 2.234 ( -2.271 -4.041 8.316) 9.520 2.506 ( -5.461 5.877 2.653) 8.450 2.628 ( -1.195 -6.594 4.386) 8.009 2.701 ( 6.077 3.648 6.143) 9.379 2.788 ( 2.493 -4.424 7.497) 9.055 3.140 ( 3.145 0.774 -0.452) 3.270 3.195 ( 1.242 -4.567 -1.577) 4.989 3.424 ( 0.955 1.147 -1.292) 1.974 3.476 ( 1.693 -3.394 0.881) 3.894 4.277 ( -1.779 3.673 -5.356) 6.733 4.331 ( -0.496 -1.105 -6.495) 6.607 4.485 ( -1.125 0.882 -6.565) 6.718 4.542 ( -0.953 -3.890 -6.782) 7.877 4.868 ( 0.605 2.395 0.240) 2.481 4.914 ( -0.238 -2.375 -0.767) 2.507 6.472 ( 0.722 1.915 -2.573) 3.288 6.504 ( 0.504 -1.416 -3.929) 4.207 7.346 ( -0.885 4.652 8.974) 10.146 7.441 ( 0.359 -4.868 6.478) 8.111 7.925 ( -4.134 5.020 5.046) 8.231 8.057 ( -3.962 -8.403 7.856) 12.167 8.553 ( 0.983 5.398 -3.048) 6.276 8.694 ( 2.311 -8.453 -1.846) 8.955 9.143 ( -0.822 1.587 -5.186) 5.486 9.182 ( -1.555 -1.928 -8.487) 8.842 9.318 ( 3.432 6.434 -1.336) 7.413 9.460 ( 2.508 -7.531 -2.911) 8.454 9.900 ( 2.831 2.034 5.698) 6.680 9.935 ( 1.666 -1.489 4.529) 5.050 10.298 ( -0.202 7.266 -3.516) 8.074 10.312 ( -4.045 1.772 0.420) 4.436 10.347 ( -1.445 -3.509 1.862) 4.227 10.479 ( -3.826 -9.511 -6.367) 12.068 10.869 ( 3.173 4.193 -4.307) 6.797 10.941 ( 2.285 -3.127 -5.116) 6.417 11.057 ( 0.408 4.268 -1.032) 4.410 11.124 ( 1.164 -2.923 -1.127) 3.342 11.662 ( -1.298 4.400 2.493) 5.221 11.724 ( -1.352 -2.162 0.936) 2.716 12.867 ( 1.411 5.417 1.430) 5.777 12.937 ( -2.715 -0.780 -0.639) 2.896 13.076 ( 1.922 -0.227 0.186) 1.944 13.093 ( -1.147 -0.884 -1.933) 2.415 13.248 ( 1.073 0.412 2.854) 3.077 13.272 ( 0.644 -1.294 2.493) 2.881 15.346 ( 0.747 -1.106 2.975) 3.260 15.366 ( 0.825 -3.104 2.655) 4.167 15.913 ( 0.115 2.150 5.731) 6.122 15.973 ( -0.260 -3.706 5.992) 7.050 16.964 ( -9.427 13.390 -5.533) 17.285 17.186 ( -2.321 -3.423 -10.824) 11.587 17.200 ( -11.264 4.181 0.910) 12.049 17.343 ( -2.739 -7.541 2.089) 8.290 17.734 ( 9.411 11.994 8.592) 17.500 17.885 ( 2.474 -2.949 6.156) 7.260 18.834 ( 5.933 -5.553 -5.938) 10.065 18.868 ( 5.091 -8.767 -4.662) 11.158 ======================= Grid point 150 (82/170) ======================= q-point: (-0.36 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 13.384 10.371 -10.755) 20.058 1.768 ( 21.380 -11.253 -7.564) 25.317 2.228 ( -2.394 1.627 9.214) 9.658 2.304 ( -1.774 -4.671 9.898) 11.088 2.455 ( -2.816 10.810 1.306) 11.247 2.634 ( -2.872 -6.691 3.432) 8.049 2.829 ( 0.355 2.737 2.629) 3.811 2.903 ( 1.130 -4.985 3.438) 6.161 3.181 ( 2.711 -1.786 -3.079) 4.475 3.198 ( 3.440 -3.886 -0.661) 5.232 3.440 ( 2.361 5.538 -2.314) 6.450 3.552 ( 4.957 -5.278 1.518) 7.398 4.206 ( 0.008 1.947 -2.795) 3.406 4.253 ( -0.085 -2.703 -3.829) 4.688 4.379 ( -1.452 2.109 -7.082) 7.530 4.437 ( -0.925 -3.247 -8.014) 8.696 4.883 ( 0.379 0.770 0.395) 0.945 4.905 ( 0.038 -1.343 -0.132) 1.350 6.486 ( 3.397 0.623 -1.043) 3.608 6.495 ( 3.218 -0.298 -2.386) 4.017 7.394 ( -4.062 5.123 5.175) 8.338 7.493 ( -2.204 -4.823 4.036) 6.664 7.921 ( -4.644 5.306 8.741) 11.230 8.059 ( -6.484 -8.554 8.667) 13.796 8.548 ( 3.368 6.692 -3.887) 8.440 8.726 ( 4.276 -10.749 -2.793) 11.901 9.030 ( -3.838 -0.369 -6.122) 7.235 9.056 ( -3.074 -2.541 -6.008) 7.211 9.389 ( 5.770 5.741 -2.041) 8.391 9.485 ( 3.861 -3.717 -3.496) 6.399 10.023 ( 2.095 0.969 6.235) 6.648 10.030 ( 2.330 0.503 4.813) 5.371 10.196 ( -5.132 2.534 -1.353) 5.881 10.252 ( -7.677 -2.381 -1.023) 8.102 10.291 ( 0.637 3.429 -3.654) 5.051 10.408 ( 2.761 -6.760 -3.534) 8.112 10.860 ( 0.984 2.666 -3.865) 4.797 10.906 ( 0.758 -2.288 -4.591) 5.185 11.104 ( 5.873 4.733 0.450) 7.557 11.191 ( 6.254 -4.017 1.387) 7.562 11.653 ( -2.958 3.913 1.918) 5.267 11.708 ( -1.515 -1.616 0.283) 2.233 12.781 ( -9.560 1.716 -1.363) 9.808 12.793 ( -10.323 0.870 -1.768) 10.509 13.138 ( 5.799 2.922 -0.468) 6.510 13.177 ( 5.778 -0.151 0.484) 5.800 13.279 ( -0.593 0.572 1.782) 1.963 13.314 ( 2.065 -2.961 2.552) 4.421 15.405 ( 1.909 -0.615 2.271) 3.030 15.421 ( 1.556 -2.206 3.215) 4.198 15.947 ( -3.018 5.432 2.063) 6.548 16.048 ( 0.476 -5.049 6.197) 8.007 16.799 ( -5.149 8.061 0.252) 9.568 16.957 ( -7.087 -5.084 -4.306) 9.727 17.056 ( -12.504 8.454 0.826) 15.116 17.264 ( -9.849 -11.076 3.613) 15.256 17.918 ( 1.447 5.043 3.416) 6.261 17.929 ( 1.981 3.261 -1.272) 4.022 18.874 ( 12.048 4.715 -7.353) 14.881 19.079 ( 17.875 -15.054 -0.472) 23.374 ======================= Grid point 151 (83/170) ======================= q-point: (-0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 12.801 18.164 -6.455) 23.140 2.021 ( 12.991 -15.639 -3.904) 20.702 2.333 ( -0.051 8.464 9.897) 13.022 2.372 ( 0.811 7.433 0.315) 7.483 2.471 ( 3.775 -3.807 4.199) 6.810 2.584 ( -4.970 -6.401 -2.702) 8.542 2.826 ( -1.973 1.304 3.896) 4.558 2.887 ( -1.562 -5.352 0.651) 5.613 3.240 ( 5.296 -1.955 -0.493) 5.667 3.262 ( 4.463 -4.260 0.472) 6.187 3.407 ( -0.825 10.841 -5.509) 12.188 3.622 ( 2.592 -10.599 -2.819) 11.269 4.205 ( 1.852 2.353 -2.999) 4.238 4.272 ( 2.517 -4.033 -1.639) 5.029 4.305 ( 0.963 2.807 -1.620) 3.381 4.365 ( 1.806 -3.165 0.073) 3.644 4.879 ( -0.388 1.569 -0.896) 1.848 4.914 ( 0.312 -1.950 0.275) 1.994 6.545 ( 5.515 1.214 -0.935) 5.724 6.571 ( 5.681 -1.149 1.021) 5.885 7.328 ( -6.330 6.324 -0.260) 8.951 7.451 ( -4.691 -5.923 -0.581) 7.578 7.989 ( -1.113 2.272 10.342) 10.647 8.064 ( -3.775 -5.261 7.161) 9.654 8.581 ( 4.355 6.012 -1.757) 7.629 8.754 ( 3.006 -11.151 -5.024) 12.594 8.914 ( -2.873 0.016 -0.958) 3.028 8.950 ( -3.468 -3.628 -2.155) 5.462 9.431 ( 3.164 3.504 -3.753) 6.031 9.484 ( 1.787 -1.596 -4.959) 5.508 10.003 ( -9.866 2.041 -0.112) 10.076 10.034 ( -8.251 -0.761 -0.355) 8.293 10.135 ( 0.092 1.992 1.445) 2.463 10.185 ( 2.046 -2.604 1.149) 3.506 10.338 ( 6.892 6.326 -0.185) 9.357 10.457 ( 5.315 -5.258 -0.524) 7.495 10.824 ( -0.311 2.790 -2.567) 3.804 10.866 ( -0.784 -1.600 -1.700) 2.463 11.242 ( 8.567 4.157 0.256) 9.526 11.339 ( 8.669 -4.698 0.766) 9.890 11.598 ( -5.037 4.684 -0.246) 6.883 11.681 ( -2.687 -3.137 1.656) 4.450 12.607 ( -9.200 1.157 1.105) 9.338 12.611 ( -8.246 0.536 0.081) 8.264 13.123 ( -3.050 5.715 -4.563) 7.924 13.223 ( -2.344 -4.135 -2.384) 5.318 13.326 ( 5.765 5.227 2.115) 8.064 13.427 ( 6.577 -5.085 2.074) 8.568 15.437 ( -0.165 1.398 0.312) 1.442 15.486 ( 1.517 -3.120 2.430) 4.236 15.859 ( -6.616 12.767 -1.058) 14.418 16.103 ( -0.114 -11.436 2.171) 11.641 16.777 ( -2.027 2.975 1.147) 3.778 16.821 ( -12.130 3.079 -1.802) 12.643 16.906 ( -2.768 5.318 8.920) 10.747 17.148 ( -10.461 -14.175 9.390) 19.963 17.872 ( -0.065 3.929 -7.311) 8.300 17.930 ( -0.085 -1.237 -5.631) 5.766 19.058 ( 15.607 15.254 -2.918) 22.018 19.389 ( 17.469 -18.034 1.127) 25.133 ======================= Grid point 152 (84/170) ======================= q-point: (-0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 4.910 20.415 -3.085) 21.223 2.095 ( -0.314 -9.880 1.125) 9.948 2.201 ( -6.457 11.739 -9.937) 16.680 2.364 ( -7.144 -1.501 -5.573) 9.184 2.575 ( 7.974 2.629 4.246) 9.409 2.688 ( 8.636 -5.673 8.906) 13.641 2.895 ( 2.723 0.151 6.290) 6.856 2.950 ( 1.999 -5.279 5.177) 7.659 3.286 ( 1.648 0.867 -3.500) 3.964 3.342 ( 1.484 5.929 -1.185) 6.226 3.352 ( 6.364 -3.765 -2.984) 7.974 3.575 ( -0.743 -13.239 -5.808) 14.476 4.167 ( -0.384 2.189 -2.519) 3.359 4.233 ( -0.980 -4.313 -1.953) 4.835 4.420 ( 6.079 4.141 5.406) 9.129 4.497 ( 5.830 -3.708 5.684) 8.947 4.850 ( -1.000 3.013 -1.955) 3.729 4.907 ( -0.844 -2.740 -0.811) 2.979 6.641 ( 5.992 1.990 -0.135) 6.315 6.685 ( 5.387 -2.192 1.506) 6.008 7.216 ( -3.737 6.443 -2.574) 7.881 7.354 ( -3.381 -7.210 -2.995) 8.508 8.079 ( -0.523 -0.915 4.081) 4.215 8.090 ( -0.331 -2.334 4.416) 5.006 8.632 ( 0.441 2.806 1.867) 3.399 8.700 ( -2.761 -4.112 -1.293) 5.118 8.910 ( 0.898 -0.854 0.818) 1.484 8.952 ( 5.183 -4.950 1.074) 7.247 9.419 ( 0.064 1.227 -2.951) 3.197 9.441 ( -0.602 -0.758 -3.663) 3.789 9.797 ( -11.976 3.802 -0.913) 12.599 9.859 ( -9.364 -2.554 -1.260) 9.788 10.171 ( 1.831 3.107 0.595) 3.656 10.235 ( 1.846 -3.268 0.533) 3.791 10.457 ( 5.611 4.991 0.114) 7.511 10.527 ( 2.794 -1.816 -0.952) 3.466 10.809 ( 1.157 3.509 -0.177) 3.699 10.862 ( 0.965 -1.530 1.946) 2.657 11.332 ( 2.745 3.404 -4.193) 6.058 11.425 ( 0.699 -5.374 -4.895) 7.303 11.517 ( -1.473 8.415 1.536) 8.680 11.677 ( -1.373 -7.642 4.284) 8.868 12.541 ( -2.198 2.711 3.504) 4.945 12.569 ( -0.736 0.654 7.510) 7.574 12.969 ( -6.270 6.529 -7.815) 11.959 13.103 ( -5.790 -6.378 -4.782) 9.852 13.444 ( 5.435 5.990 0.741) 8.122 13.547 ( 5.505 -4.645 0.436) 7.216 15.413 ( -1.280 2.542 -1.275) 3.119 15.497 ( -2.296 -6.053 -0.122) 6.475 15.762 ( -4.760 19.424 2.729) 20.184 16.114 ( -0.374 -15.821 1.503) 15.897 16.587 ( -10.691 6.177 -2.219) 12.545 16.707 ( -5.155 -5.472 -3.349) 8.230 17.038 ( 2.341 4.843 9.755) 11.140 17.172 ( -3.829 -8.667 11.608) 14.984 17.770 ( -0.327 3.047 -7.987) 8.555 17.833 ( 0.286 -3.327 -8.452) 9.087 19.286 ( 12.444 19.576 0.216) 23.197 19.663 ( 13.117 -18.902 0.876) 23.024 ======================= Grid point 153 (85/170) ======================= q-point: (-0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -1.202 17.647 0.555) 17.696 1.990 ( -3.778 6.780 -8.049) 11.182 2.093 ( -0.035 0.143 0.114) 0.186 2.250 ( -1.642 -2.791 0.837) 3.345 2.738 ( 2.669 9.083 5.906) 11.158 2.891 ( 4.236 -4.569 6.104) 8.722 2.930 ( -2.808 2.515 -6.844) 7.814 3.006 ( 1.569 -3.665 2.304) 4.604 3.308 ( 1.614 -2.712 0.765) 3.247 3.364 ( 1.791 -7.550 -4.086) 8.769 3.419 ( 8.222 0.937 -1.134) 8.352 3.550 ( 2.010 -10.592 2.182) 10.999 4.159 ( -0.233 1.897 1.963) 2.740 4.218 ( -1.005 -3.959 1.984) 4.541 4.556 ( 2.521 3.980 2.707) 5.434 4.626 ( 1.863 -2.747 2.836) 4.366 4.815 ( 0.172 2.969 -0.985) 3.133 4.874 ( -0.996 -2.754 -0.856) 3.051 6.717 ( 3.364 1.539 -1.399) 3.955 6.755 ( 1.465 -1.830 -0.390) 2.376 7.172 ( 1.509 5.110 -1.539) 5.546 7.294 ( 0.544 -7.146 -2.403) 7.559 8.085 ( 0.160 -0.585 -0.776) 0.985 8.117 ( -0.656 -3.738 0.423) 3.819 8.624 ( -3.809 0.693 2.319) 4.513 8.653 ( -4.015 -2.374 1.506) 4.901 8.995 ( 6.173 2.565 1.929) 6.958 9.068 ( 5.072 -4.529 1.853) 7.048 9.362 ( -2.621 0.685 -1.396) 3.048 9.377 ( -3.495 -0.944 -0.698) 3.687 9.643 ( -5.883 5.091 1.936) 8.017 9.737 ( -3.785 -4.462 0.307) 5.859 10.200 ( 0.769 2.654 0.343) 2.784 10.254 ( -0.047 -2.823 0.413) 2.853 10.506 ( 1.731 2.827 -1.085) 3.488 10.536 ( 0.767 -0.114 -1.128) 1.369 10.868 ( 3.502 5.248 2.225) 6.690 10.932 ( 1.933 -0.715 3.152) 3.766 11.259 ( -2.909 3.386 -3.251) 5.523 11.336 ( -1.295 -4.209 -3.614) 5.697 11.546 ( 1.564 5.963 -0.478) 6.183 11.702 ( -1.030 -9.143 1.485) 9.320 12.564 ( -1.415 7.550 0.461) 7.695 12.699 ( -2.053 -6.255 0.830) 6.635 12.774 ( -0.444 11.966 0.158) 11.975 12.978 ( -2.067 -8.708 -1.017) 9.007 13.516 ( 3.017 6.217 -0.692) 6.945 13.614 ( 3.042 -3.961 -1.353) 5.174 15.394 ( 0.352 1.067 0.396) 1.191 15.438 ( -3.140 -2.475 0.004) 3.998 15.755 ( -3.449 18.878 6.622) 20.301 16.130 ( -1.194 -17.937 3.273) 18.272 16.423 ( -4.394 6.599 -3.731) 8.762 16.590 ( -2.273 -9.576 -4.442) 10.798 17.097 ( -1.678 2.793 -4.168) 5.291 17.151 ( -5.070 -2.665 -5.494) 7.936 17.742 ( 2.713 3.952 2.310) 5.321 17.825 ( 3.446 -4.548 3.156) 6.521 19.460 ( 6.480 19.923 1.694) 21.019 19.836 ( 6.712 -18.503 -0.364) 19.686 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -9.609 0.000 23.580) 25.462 1.237 ( 0.224 0.000 27.299) 27.300 1.911 ( -1.568 0.000 36.437) 36.470 1.941 ( 8.177 0.000 -15.608) 17.620 2.306 ( -3.299 0.000 -19.425) 19.703 2.908 ( 10.451 0.000 5.814) 11.959 3.183 ( -6.851 0.000 2.207) 7.198 3.364 ( -2.467 0.000 -5.340) 5.882 3.433 ( 1.323 0.000 2.525) 2.851 3.702 ( -0.391 0.000 -3.981) 4.000 3.822 ( 2.710 0.000 -11.824) 12.130 3.979 ( -0.446 0.000 -9.220) 9.231 4.276 ( -2.904 0.000 4.668) 5.497 4.380 ( -0.125 0.000 3.467) 3.469 4.524 ( -0.037 0.000 2.469) 2.469 4.588 ( 1.457 0.000 -0.581) 1.569 5.038 ( -2.091 0.000 1.770) 2.740 5.069 ( 0.163 0.000 -0.330) 0.368 6.674 ( -2.744 0.000 2.245) 3.545 6.784 ( 4.954 0.000 -2.641) 5.614 7.214 ( -0.331 0.000 1.366) 1.406 7.517 ( 1.995 0.000 -11.088) 11.266 8.285 ( -7.120 0.000 -2.210) 7.456 8.326 ( 4.449 0.000 -3.968) 5.961 8.770 ( -4.393 0.000 4.178) 6.062 8.839 ( 4.429 0.000 -0.110) 4.430 9.036 ( 7.968 0.000 1.482) 8.105 9.115 ( -7.727 0.000 -0.254) 7.731 9.390 ( 6.255 0.000 10.526) 12.244 9.516 ( -8.397 0.000 8.824) 12.181 9.815 ( 1.678 0.000 -3.393) 3.786 9.890 ( -0.141 0.000 -9.197) 9.198 10.114 ( -0.342 0.000 1.210) 1.258 10.185 ( -2.721 0.000 0.325) 2.741 10.332 ( 6.073 0.000 2.503) 6.568 10.348 ( 1.167 0.000 0.815) 1.423 10.599 ( -8.831 0.000 6.798) 11.144 10.658 ( 5.008 0.000 1.531) 5.237 11.193 ( 5.458 0.000 9.159) 10.662 11.624 ( -8.529 0.000 3.964) 9.406 11.663 ( -1.110 0.000 -5.761) 5.867 11.828 ( 1.559 0.000 -7.888) 8.041 12.150 ( 3.176 0.000 7.446) 8.095 12.321 ( 4.671 0.000 0.498) 4.698 12.846 ( -8.908 0.000 -1.690) 9.067 12.870 ( 5.429 0.000 -3.311) 6.359 13.254 ( 1.193 0.000 2.043) 2.366 13.544 ( 0.217 0.000 -9.214) 9.217 14.891 ( -7.466 0.000 17.355) 18.893 15.641 ( 4.861 0.000 -13.538) 14.384 15.825 ( 1.818 0.000 9.335) 9.510 16.411 ( 0.602 0.000 -10.959) 10.975 16.916 ( 0.508 0.000 0.601) 0.787 16.926 ( 1.763 0.000 0.229) 1.778 16.990 ( -2.195 0.000 3.477) 4.112 17.061 ( -15.961 0.000 -0.985) 15.991 17.231 ( 9.835 0.000 -10.051) 14.062 17.363 ( 3.416 0.000 -8.882) 9.517 19.488 ( 0.176 0.000 26.251) 26.252 20.411 ( -0.329 0.000 -15.461) 15.464 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.771 0.000 22.080) 22.253 1.601 ( 6.200 0.000 23.741) 24.538 1.901 ( 9.390 0.000 -16.251) 18.769 2.035 ( 1.750 0.000 -21.039) 21.111 2.339 ( 2.892 0.000 24.960) 25.127 2.951 ( 3.277 0.000 -18.083) 18.378 3.213 ( -1.838 0.000 10.345) 10.507 3.306 ( -3.752 0.000 10.911) 11.538 3.356 ( -5.110 0.000 -6.748) 8.465 3.632 ( -0.486 0.000 -3.313) 3.348 3.788 ( 0.592 0.000 -1.940) 2.028 3.857 ( -1.499 0.000 -10.086) 10.196 4.284 ( -2.331 0.000 5.115) 5.621 4.405 ( 0.383 0.000 0.465) 0.603 4.532 ( -1.756 0.000 1.766) 2.490 4.564 ( -2.395 0.000 -2.268) 3.299 5.022 ( -1.846 0.000 1.693) 2.504 5.076 ( 0.189 0.000 0.884) 0.904 6.611 ( -6.603 0.000 0.275) 6.609 6.786 ( -0.751 0.000 -2.348) 2.465 7.222 ( -2.255 0.000 3.625) 4.269 7.415 ( 0.694 0.000 -9.200) 9.226 8.216 ( 0.374 0.000 0.794) 0.878 8.418 ( 8.850 0.000 -1.179) 8.928 8.750 ( -2.478 0.000 3.036) 3.918 8.934 ( 5.851 0.000 -0.821) 5.909 9.001 ( -2.053 0.000 -2.736) 3.421 9.202 ( 7.881 0.000 2.198) 8.181 9.423 ( -9.632 0.000 7.980) 12.508 9.676 ( -4.314 0.000 -10.482) 11.335 9.696 ( 10.729 0.000 10.124) 14.752 9.890 ( 6.839 0.000 -5.893) 9.028 10.124 ( -0.775 0.000 2.582) 2.696 10.176 ( -0.108 0.000 2.432) 2.435 10.300 ( -3.770 0.000 -2.771) 4.679 10.370 ( -7.587 0.000 -1.523) 7.738 10.564 ( 1.999 0.000 4.490) 4.915 10.800 ( 7.575 0.000 3.460) 8.328 11.400 ( -0.621 0.000 10.343) 10.362 11.466 ( -7.075 0.000 -11.696) 13.669 11.600 ( 3.295 0.000 5.508) 6.418 11.862 ( 6.669 0.000 -2.273) 7.046 12.221 ( -2.419 0.000 3.482) 4.240 12.339 ( -0.311 0.000 -5.701) 5.710 12.713 ( -4.091 0.000 -0.219) 4.097 12.962 ( 7.129 0.000 1.228) 7.234 13.302 ( 0.471 0.000 3.555) 3.586 13.427 ( -1.146 0.000 -9.183) 9.255 15.028 ( -0.800 0.000 17.526) 17.545 15.575 ( 6.666 0.000 -13.746) 15.277 15.984 ( 1.899 0.000 11.955) 12.105 16.251 ( 0.699 0.000 -17.219) 17.233 16.858 ( -11.596 0.000 5.634) 12.892 16.901 ( -3.373 0.000 0.481) 3.408 16.919 ( -3.078 0.000 0.068) 3.079 16.957 ( -5.313 0.000 1.143) 5.435 17.323 ( 11.772 0.000 -6.034) 13.228 17.397 ( 10.775 0.000 -4.434) 11.651 19.762 ( -2.444 0.000 23.487) 23.614 20.170 ( -4.335 0.000 -18.484) 18.986 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.312 0.000 17.669) 17.718 1.794 ( 8.669 0.000 -12.643) 15.330 1.861 ( 6.048 0.000 -19.178) 20.109 2.076 ( 10.446 0.000 19.354) 21.993 2.490 ( -4.892 0.000 3.954) 6.290 2.799 ( 5.071 0.000 -19.536) 20.183 3.132 ( -11.609 0.000 5.092) 12.677 3.247 ( -3.367 0.000 0.702) 3.439 3.525 ( 2.464 0.000 16.820) 17.000 3.548 ( -2.247 0.000 -8.369) 8.665 3.678 ( -4.878 0.000 -11.634) 12.616 3.822 ( -0.026 0.000 8.311) 8.311 4.332 ( 1.163 0.000 5.346) 5.471 4.378 ( -1.614 0.000 -6.050) 6.262 4.484 ( -3.165 0.000 -0.289) 3.178 4.511 ( -1.841 0.000 -0.070) 1.843 5.025 ( -0.284 0.000 1.964) 1.984 5.088 ( 0.084 0.000 0.546) 0.552 6.484 ( -7.068 0.000 -0.714) 7.104 6.732 ( -2.428 0.000 -1.441) 2.823 7.213 ( -4.721 0.000 4.965) 6.851 7.332 ( 0.909 0.000 -7.483) 7.538 8.284 ( 4.047 0.000 1.328) 4.259 8.530 ( 3.413 0.000 -0.382) 3.434 8.779 ( 1.281 0.000 5.170) 5.326 8.949 ( 2.777 0.000 -0.870) 2.911 9.058 ( 7.473 0.000 -3.765) 8.368 9.270 ( -4.161 0.000 2.568) 4.889 9.421 ( -1.622 0.000 8.077) 8.238 9.510 ( -0.431 0.000 -9.805) 9.814 9.921 ( 4.406 0.000 -5.521) 7.063 9.946 ( 5.885 0.000 4.725) 7.547 10.131 ( -6.609 0.000 2.024) 6.912 10.188 ( -3.931 0.000 -1.161) 4.099 10.198 ( -1.265 0.000 0.433) 1.337 10.273 ( 7.503 0.000 0.116) 7.503 10.661 ( 4.117 0.000 0.292) 4.127 10.975 ( 7.459 0.000 4.589) 8.758 11.206 ( -5.742 0.000 -13.374) 14.554 11.401 ( -6.098 0.000 5.629) 8.299 11.794 ( 6.321 0.000 3.163) 7.068 11.907 ( -1.413 0.000 -2.192) 2.608 12.198 ( -2.195 0.000 3.746) 4.342 12.256 ( 4.239 0.000 -7.708) 8.797 12.686 ( -0.571 0.000 0.265) 0.629 13.118 ( 7.143 0.000 3.288) 7.863 13.304 ( -1.888 0.000 -6.919) 7.172 13.348 ( -1.022 0.000 5.148) 5.249 15.252 ( 4.224 0.000 15.227) 15.802 15.559 ( 9.067 0.000 -11.487) 14.634 16.073 ( 2.219 0.000 -16.183) 16.335 16.157 ( 1.026 0.000 13.445) 13.484 16.771 ( -8.310 0.000 6.270) 10.410 16.805 ( -9.361 0.000 1.555) 9.489 16.838 ( -6.816 0.000 1.920) 7.082 16.857 ( -4.511 0.000 -3.195) 5.528 17.467 ( 12.197 0.000 -4.786) 13.103 17.610 ( 15.373 0.000 1.569) 15.453 19.858 ( -5.713 0.000 -19.553) 20.371 19.939 ( -6.116 0.000 18.983) 19.944 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.168 0.000 9.948) 9.950 1.803 ( 10.728 0.000 -14.972) 18.419 1.834 ( 13.004 0.000 -9.508) 16.109 2.404 ( -3.387 0.000 -1.563) 3.730 2.475 ( 8.637 0.000 16.112) 18.281 2.655 ( 2.222 0.000 -14.881) 15.046 3.011 ( -8.753 0.000 6.655) 10.996 3.201 ( -5.228 0.000 3.599) 6.347 3.373 ( -6.245 0.000 -8.412) 10.477 3.414 ( -9.614 0.000 -12.177) 15.515 3.703 ( -2.843 0.000 10.614) 10.988 3.939 ( -1.047 0.000 10.380) 10.432 4.244 ( -0.929 0.000 -7.849) 7.904 4.425 ( 2.400 0.000 -0.730) 2.509 4.455 ( -0.518 0.000 -1.466) 1.554 4.491 ( 1.602 0.000 2.221) 2.739 5.046 ( 0.253 0.000 0.733) 0.776 5.088 ( 0.113 0.000 -0.932) 0.939 6.388 ( -3.696 0.000 0.563) 3.739 6.679 ( -2.703 0.000 -0.340) 2.724 7.190 ( -5.278 0.000 5.968) 7.967 7.283 ( 3.082 0.000 -5.976) 6.723 8.318 ( 0.888 0.000 -3.342) 3.458 8.512 ( -1.537 0.000 -3.730) 4.034 8.931 ( 4.263 0.000 11.230) 12.012 9.007 ( 5.367 0.000 -4.706) 7.138 9.123 ( 1.692 0.000 2.414) 2.948 9.207 ( -4.263 0.000 0.858) 4.349 9.422 ( -0.943 0.000 -4.400) 4.500 9.436 ( -7.542 0.000 5.855) 9.548 9.884 ( -2.172 0.000 -3.881) 4.448 10.000 ( 0.379 0.000 0.122) 0.398 10.041 ( 5.706 0.000 -7.261) 9.235 10.232 ( 0.787 0.000 7.601) 7.642 10.235 ( 3.995 0.000 -0.209) 4.000 10.453 ( 8.723 0.000 1.761) 8.899 10.693 ( 2.408 0.000 -4.126) 4.777 10.992 ( -2.758 0.000 -8.484) 8.921 11.161 ( 10.310 0.000 1.283) 10.390 11.366 ( -5.476 0.000 4.804) 7.285 11.761 ( -8.014 0.000 -5.395) 9.661 11.799 ( -1.438 0.000 -4.927) 5.132 12.288 ( 2.514 0.000 7.793) 8.189 12.306 ( 8.293 0.000 -7.320) 11.062 12.701 ( 1.522 0.000 2.701) 3.100 13.224 ( -0.635 0.000 -2.370) 2.453 13.229 ( 3.930 0.000 -2.681) 4.757 13.402 ( -1.710 0.000 9.247) 9.404 15.508 ( 7.577 0.000 11.194) 13.517 15.610 ( 10.663 0.000 -8.758) 13.798 15.974 ( 5.562 0.000 -11.387) 12.673 16.331 ( 0.276 0.000 14.528) 14.531 16.634 ( -13.468 0.000 2.588) 13.715 16.662 ( -9.151 0.000 0.167) 9.153 16.736 ( -4.233 0.000 -4.888) 6.466 16.797 ( -5.898 0.000 9.708) 11.359 17.605 ( 11.100 0.000 -5.626) 12.444 17.900 ( 14.029 0.000 3.198) 14.389 19.558 ( -2.953 0.000 -17.715) 17.960 19.993 ( -9.948 0.000 13.398) 16.687 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -2.030 0.000 2.276) 3.049 1.870 ( 14.500 0.000 -10.183) 17.719 2.004 ( 14.792 0.000 -3.437) 15.186 2.387 ( 1.308 0.000 1.818) 2.239 2.424 ( -4.901 0.000 -13.630) 14.484 2.715 ( -1.772 0.000 7.992) 8.186 3.024 ( -9.047 0.000 -8.648) 12.516 3.105 ( -7.658 0.000 -7.085) 10.433 3.167 ( 2.850 0.000 10.305) 10.692 3.237 ( -3.527 0.000 5.967) 6.931 3.643 ( -9.038 0.000 -0.438) 9.049 3.995 ( -5.072 0.000 7.998) 9.471 4.250 ( 6.977 0.000 -1.160) 7.073 4.367 ( -0.233 0.000 -7.931) 7.935 4.411 ( -0.876 0.000 -4.481) 4.566 4.604 ( 3.283 0.000 4.003) 5.178 5.033 ( -0.986 0.000 -2.244) 2.451 5.071 ( 0.267 0.000 -2.572) 2.586 6.376 ( -0.144 0.000 2.636) 2.640 6.631 ( -2.829 0.000 0.200) 2.836 7.183 ( -4.231 0.000 6.772) 7.985 7.305 ( 6.215 0.000 -4.232) 7.519 8.258 ( -0.389 0.000 -6.335) 6.347 8.422 ( -1.387 0.000 -6.733) 6.875 9.005 ( 2.233 0.000 -7.601) 7.922 9.046 ( -7.233 0.000 7.161) 10.178 9.106 ( -5.523 0.000 2.843) 6.212 9.231 ( 5.790 0.000 4.032) 7.056 9.332 ( -9.773 0.000 3.694) 10.448 9.449 ( 3.097 0.000 6.949) 7.608 9.818 ( 0.556 0.000 -4.904) 4.936 10.006 ( 0.233 0.000 0.273) 0.358 10.075 ( 4.161 0.000 -4.032) 5.794 10.278 ( 2.470 0.000 -2.654) 3.626 10.401 ( 8.570 0.000 7.294) 11.253 10.525 ( 0.883 0.000 -2.262) 2.428 10.659 ( 1.997 0.000 -6.773) 7.062 10.931 ( 0.740 0.000 -1.913) 2.052 11.301 ( -6.893 0.000 1.057) 6.974 11.364 ( 12.194 0.000 0.200) 12.195 11.570 ( -5.992 0.000 -5.259) 7.973 11.743 ( 0.969 0.000 -1.755) 2.005 12.307 ( 4.449 0.000 -9.492) 10.484 12.382 ( -1.583 0.000 5.158) 5.396 12.807 ( 3.340 0.000 6.151) 6.999 13.187 ( -1.700 0.000 -5.694) 5.943 13.241 ( 2.751 0.000 2.490) 3.711 13.491 ( -0.572 0.000 7.625) 7.646 15.703 ( 10.994 0.000 -6.703) 12.876 15.759 ( 9.763 0.000 6.844) 11.923 16.004 ( 9.093 0.000 -5.052) 10.403 16.361 ( -14.326 0.000 1.118) 14.370 16.494 ( -10.112 0.000 -0.561) 10.127 16.550 ( -7.105 0.000 18.781) 20.080 16.612 ( 0.021 0.000 -6.652) 6.652 16.850 ( -3.133 0.000 12.395) 12.785 17.703 ( 9.594 0.000 -7.487) 12.169 18.088 ( 5.304 0.000 -1.518) 5.517 19.401 ( 5.646 0.000 -10.995) 12.360 19.918 ( -13.343 0.000 7.610) 15.361 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -2.433 0.000 0.579) 2.501 2.048 ( 15.813 0.000 -3.705) 16.242 2.093 ( -8.977 0.000 -3.415) 9.605 2.287 ( 16.734 0.000 -11.965) 20.571 2.460 ( 3.767 0.000 0.042) 3.767 2.603 ( -19.723 0.000 -9.961) 22.096 2.786 ( -0.811 0.000 6.064) 6.118 2.892 ( -7.183 0.000 -3.278) 7.895 3.301 ( 0.307 0.000 6.542) 6.549 3.474 ( 0.014 0.000 2.506) 2.506 3.513 ( 6.564 0.000 8.142) 10.458 3.950 ( -8.848 0.000 3.920) 9.677 4.269 ( 1.268 0.000 -8.968) 9.058 4.317 ( -2.438 0.000 -5.778) 6.271 4.395 ( 8.835 0.000 1.263) 8.925 4.644 ( -3.169 0.000 1.609) 3.554 4.970 ( -1.429 0.000 -3.778) 4.039 5.037 ( -0.037 0.000 -3.726) 3.726 6.431 ( 1.705 0.000 3.893) 4.250 6.595 ( -1.496 0.000 -0.101) 1.499 7.200 ( -3.367 0.000 6.616) 7.424 7.367 ( 5.617 0.000 -3.300) 6.515 8.180 ( 0.197 0.000 -6.196) 6.200 8.319 ( -0.366 0.000 -8.288) 8.296 8.934 ( 0.821 0.000 -3.821) 3.908 8.952 ( -7.636 0.000 0.898) 7.689 9.105 ( 0.456 0.000 2.604) 2.644 9.224 ( -6.253 0.000 2.825) 6.862 9.369 ( 0.283 0.000 7.227) 7.233 9.620 ( 4.059 0.000 10.300) 11.071 9.779 ( 1.974 0.000 -5.670) 6.004 10.019 ( 0.781 0.000 0.493) 0.923 10.076 ( -0.723 0.000 -0.462) 0.858 10.251 ( 0.471 0.000 -6.270) 6.287 10.490 ( -0.653 0.000 -3.007) 3.077 10.548 ( 0.824 0.000 -2.752) 2.873 10.726 ( 12.976 0.000 2.740) 13.263 10.893 ( -5.211 0.000 1.041) 5.314 11.171 ( -7.180 0.000 -2.002) 7.454 11.374 ( -1.584 0.000 -8.553) 8.699 11.631 ( 8.954 0.000 5.238) 10.374 11.787 ( 3.390 0.000 1.618) 3.756 12.282 ( 5.762 0.000 -8.215) 10.034 12.325 ( -9.216 0.000 -0.181) 9.218 12.909 ( 0.944 0.000 4.917) 5.007 13.084 ( -2.758 0.000 -3.948) 4.817 13.363 ( 5.413 0.000 5.419) 7.659 13.537 ( -1.885 0.000 3.405) 3.892 15.831 ( 11.395 0.000 -3.554) 11.936 15.977 ( 6.084 0.000 1.782) 6.339 16.094 ( -14.350 0.000 2.033) 14.493 16.134 ( 8.535 0.000 0.032) 8.535 16.321 ( -8.299 0.000 -1.629) 8.457 16.449 ( -7.852 0.000 -1.628) 8.019 16.757 ( 1.624 0.000 14.234) 14.326 16.979 ( -0.014 0.000 14.037) 14.037 17.757 ( 8.602 0.000 -9.032) 12.473 18.029 ( -4.001 0.000 -8.642) 9.523 19.502 ( 14.434 0.000 -2.562) 14.659 19.728 ( -16.120 0.000 2.608) 16.330 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -5.728 0.000 7.109) 9.130 1.901 ( -1.787 0.000 -7.842) 8.044 2.129 ( -22.504 0.000 -8.682) 24.121 2.267 ( 9.603 0.000 -0.412) 9.612 2.472 ( 14.175 0.000 -6.218) 15.479 2.484 ( 9.210 0.000 -6.784) 11.439 2.831 ( -2.078 0.000 3.739) 4.278 2.855 ( -0.357 0.000 4.351) 4.366 3.363 ( 0.384 0.000 2.941) 2.966 3.435 ( 0.303 0.000 2.005) 2.028 3.795 ( -10.673 0.000 -0.992) 10.719 3.823 ( 10.464 0.000 8.293) 13.352 4.204 ( -1.653 0.000 -6.087) 6.307 4.228 ( 3.575 0.000 -4.909) 6.072 4.538 ( -7.976 0.000 -1.997) 8.222 4.570 ( 7.956 0.000 3.751) 8.796 4.924 ( -0.619 0.000 -0.886) 1.081 4.980 ( -1.312 0.000 -4.018) 4.227 6.513 ( 2.530 0.000 3.776) 4.545 6.571 ( -0.354 0.000 -1.697) 1.733 7.211 ( -3.730 0.000 5.010) 6.246 7.409 ( 4.043 0.000 -2.846) 4.945 8.133 ( 1.053 0.000 -3.177) 3.347 8.230 ( 1.310 0.000 -7.585) 7.697 8.840 ( -6.279 0.000 0.663) 6.314 8.976 ( 6.880 0.000 -1.944) 7.149 9.167 ( 2.867 0.000 4.016) 4.935 9.188 ( -0.451 0.000 0.514) 0.684 9.422 ( -4.041 0.000 8.801) 9.685 9.723 ( 0.591 0.000 -5.385) 5.417 9.819 ( 3.434 0.000 9.151) 9.774 10.029 ( -0.456 0.000 -1.257) 1.337 10.053 ( -1.482 0.000 0.692) 1.636 10.141 ( -3.144 0.000 -8.238) 8.818 10.438 ( -1.820 0.000 -2.056) 2.746 10.507 ( 0.034 0.000 -3.446) 3.446 10.790 ( -8.117 0.000 0.788) 8.155 10.976 ( -1.000 0.000 8.581) 8.639 11.057 ( 6.448 0.000 -4.676) 7.965 11.287 ( 2.650 0.000 -6.264) 6.802 11.795 ( 3.265 0.000 3.374) 4.696 11.856 ( 2.066 0.000 -0.438) 2.112 12.079 ( -15.782 0.000 -2.961) 16.057 12.331 ( 8.391 0.000 -3.534) 9.105 12.961 ( -0.392 0.000 3.648) 3.669 13.021 ( -1.346 0.000 -1.191) 1.797 13.505 ( -3.927 0.000 -0.334) 3.942 13.515 ( 5.112 0.000 4.391) 6.739 15.748 ( -19.240 0.000 0.883) 19.261 15.977 ( 5.632 0.000 -0.105) 5.633 16.148 ( -1.651 0.000 0.595) 1.755 16.164 ( -3.331 0.000 1.361) 3.598 16.314 ( 9.512 0.000 -1.425) 9.618 16.344 ( 2.699 0.000 -1.385) 3.033 16.930 ( -0.009 0.000 12.391) 12.391 17.154 ( 2.132 0.000 11.344) 11.543 17.799 ( 8.446 0.000 -7.516) 11.306 17.816 ( -6.345 0.000 -10.458) 12.232 19.447 ( -18.403 0.000 -0.530) 18.411 19.771 ( 17.395 0.000 0.931) 17.420 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -18.157 0.000 12.000) 21.764 1.656 ( -23.973 0.000 -3.328) 24.203 1.898 ( 10.805 0.000 -7.752) 13.298 2.366 ( 8.171 0.000 -6.163) 10.235 2.543 ( 2.684 0.000 -8.146) 8.577 2.632 ( 1.955 0.000 3.396) 3.919 2.854 ( 1.079 0.000 5.265) 5.374 2.906 ( 6.953 0.000 1.018) 7.027 3.430 ( 4.414 0.000 4.094) 6.021 3.503 ( 4.122 0.000 0.443) 4.145 3.607 ( -6.723 0.000 -4.673) 8.187 4.010 ( 3.220 0.000 2.940) 4.360 4.182 ( 5.136 0.000 -0.215) 5.140 4.259 ( 3.289 0.000 -1.362) 3.560 4.383 ( -5.222 0.000 -3.055) 6.050 4.711 ( 2.576 0.000 1.387) 2.926 4.918 ( -0.421 0.000 -1.169) 1.242 4.927 ( -0.127 0.000 2.261) 2.265 6.542 ( 0.869 0.000 -3.591) 3.694 6.596 ( 2.661 0.000 2.659) 3.762 7.186 ( -3.987 0.000 2.279) 4.592 7.450 ( 5.189 0.000 -3.282) 6.140 8.150 ( 2.215 0.000 1.563) 2.711 8.198 ( 3.707 0.000 -4.959) 6.191 8.766 ( -4.996 0.000 2.924) 5.789 9.064 ( 4.843 0.000 -0.812) 4.910 9.212 ( 3.288 0.000 -1.369) 3.562 9.314 ( 8.234 0.000 4.486) 9.377 9.466 ( -3.693 0.000 10.584) 11.210 9.621 ( -3.928 0.000 -7.167) 8.172 9.889 ( -6.130 0.000 -11.031) 12.620 9.955 ( 1.062 0.000 5.931) 6.025 10.017 ( -7.192 0.000 -0.521) 7.211 10.074 ( 2.218 0.000 2.953) 3.693 10.399 ( -1.669 0.000 1.507) 2.249 10.476 ( -0.338 0.000 -1.498) 1.536 10.654 ( -5.185 0.000 -3.786) 6.420 10.860 ( -11.007 0.000 1.538) 11.114 11.274 ( 9.885 0.000 3.251) 10.406 11.331 ( 7.781 0.000 -1.726) 7.970 11.660 ( -13.579 0.000 -8.697) 16.126 11.818 ( -0.717 0.000 -1.880) 2.012 11.958 ( -2.572 0.000 4.796) 5.442 12.454 ( 6.421 0.000 0.693) 6.458 12.991 ( -0.840 0.000 3.790) 3.882 12.994 ( -0.829 0.000 -1.140) 1.410 13.402 ( -5.483 0.000 -3.243) 6.371 13.625 ( 3.871 0.000 1.424) 4.125 15.448 ( -19.586 0.000 4.258) 20.043 15.935 ( -5.377 0.000 -1.400) 5.556 15.995 ( -10.224 0.000 -2.748) 10.586 16.260 ( 6.266 0.000 4.510) 7.720 16.468 ( 10.511 0.000 -1.255) 10.586 16.486 ( 10.528 0.000 0.062) 10.528 17.027 ( -2.346 0.000 7.030) 7.411 17.274 ( 3.206 0.000 0.445) 3.237 17.621 ( -3.682 0.000 -6.961) 7.875 17.887 ( 7.740 0.000 -0.894) 7.792 19.115 ( -19.797 0.000 0.036) 19.797 20.075 ( 17.087 0.000 0.544) 17.096 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -23.566 0.000 4.530) 23.997 1.334 ( -22.952 0.000 13.889) 26.827 2.041 ( 15.357 0.000 -9.618) 18.120 2.179 ( -23.002 0.000 -0.913) 23.020 2.440 ( -2.586 0.000 -4.474) 5.168 2.773 ( 8.643 0.000 8.432) 12.075 2.972 ( 2.853 0.000 7.314) 7.851 3.078 ( 7.727 0.000 -4.736) 9.063 3.429 ( 1.084 0.000 -5.834) 5.934 3.545 ( 5.152 0.000 -6.645) 8.408 3.687 ( 13.369 0.000 5.777) 14.564 4.084 ( 0.791 0.000 6.549) 6.597 4.234 ( -1.677 0.000 -3.734) 4.093 4.300 ( 7.234 0.000 -1.038) 7.308 4.361 ( 2.623 0.000 0.658) 2.704 4.638 ( -6.873 0.000 -3.580) 7.750 4.966 ( 0.425 0.000 3.594) 3.619 4.978 ( 3.691 0.000 2.860) 4.670 6.532 ( 4.046 0.000 -4.594) 6.122 6.653 ( 0.981 0.000 1.528) 1.816 7.151 ( -1.150 0.000 0.274) 1.182 7.503 ( 6.949 0.000 -5.466) 8.841 8.240 ( 5.626 0.000 -1.762) 5.896 8.243 ( 3.787 0.000 5.328) 6.537 8.734 ( -4.818 0.000 5.553) 7.352 9.122 ( 1.084 0.000 1.640) 1.966 9.238 ( 0.828 0.000 -1.379) 1.609 9.385 ( -5.810 0.000 -8.851) 10.588 9.518 ( -5.366 0.000 5.248) 7.506 9.559 ( 7.388 0.000 4.941) 8.888 9.635 ( -11.183 0.000 -4.134) 11.922 9.894 ( -2.173 0.000 -0.601) 2.255 10.008 ( 1.016 0.000 1.336) 1.678 10.153 ( 1.482 0.000 1.886) 2.398 10.414 ( -1.491 0.000 3.341) 3.659 10.459 ( -1.228 0.000 1.195) 1.713 10.549 ( -0.381 0.000 -4.992) 5.007 10.650 ( -14.886 0.000 -0.539) 14.896 11.266 ( -9.251 0.000 -2.141) 9.495 11.488 ( 11.318 0.000 -0.058) 11.318 11.577 ( 7.723 0.000 2.822) 8.222 11.764 ( -1.042 0.000 -3.396) 3.552 11.956 ( -5.014 0.000 4.805) 6.945 12.507 ( -0.296 0.000 -1.611) 1.638 12.947 ( -1.690 0.000 -3.922) 4.271 13.030 ( -0.934 0.000 5.187) 5.270 13.274 ( -3.889 0.000 -3.460) 5.205 13.678 ( 2.804 0.000 -1.896) 3.384 15.194 ( -19.347 0.000 8.433) 21.105 15.806 ( -7.949 0.000 -1.943) 8.183 15.838 ( -2.455 0.000 -3.485) 4.263 16.393 ( 2.035 0.000 5.643) 5.999 16.636 ( 11.154 0.000 -1.758) 11.292 16.655 ( 9.267 0.000 -0.078) 9.267 17.022 ( -3.377 0.000 1.695) 3.779 17.278 ( 4.538 0.000 -9.784) 10.785 17.536 ( -0.478 0.000 -2.942) 2.981 17.975 ( 1.354 0.000 -2.358) 2.719 18.846 ( -15.726 0.000 9.758) 18.508 20.337 ( 14.645 0.000 -2.223) 14.813 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -19.333 0.000 15.857) 25.004 1.118 ( -22.313 0.000 15.427) 27.127 1.791 ( -31.089 0.000 18.652) 36.255 2.085 ( 4.553 0.000 -11.852) 12.697 2.462 ( 8.336 0.000 0.360) 8.344 2.881 ( -3.520 0.000 -11.371) 11.903 3.097 ( 6.644 0.000 6.184) 9.077 3.099 ( 0.900 0.000 8.769) 8.815 3.514 ( 12.356 0.000 -4.660) 13.206 3.537 ( 5.157 0.000 -9.395) 10.718 3.968 ( 10.269 0.000 1.859) 10.436 4.176 ( 0.544 0.000 4.932) 4.962 4.177 ( 0.673 0.000 -2.437) 2.528 4.340 ( 0.623 0.000 -6.269) 6.300 4.417 ( 2.213 0.000 1.660) 2.767 4.509 ( -2.921 0.000 1.426) 3.251 5.013 ( 0.134 0.000 3.361) 3.364 5.052 ( 2.143 0.000 0.856) 2.308 6.582 ( 8.194 0.000 -4.416) 9.308 6.667 ( -0.856 0.000 1.411) 1.651 7.163 ( 2.134 0.000 -0.238) 2.147 7.551 ( 7.938 0.000 -8.037) 11.296 8.325 ( 5.318 0.000 -0.928) 5.399 8.382 ( 3.995 0.000 5.731) 6.986 8.732 ( -4.052 0.000 7.021) 8.107 9.023 ( -10.894 0.000 -5.458) 12.185 9.186 ( -5.839 0.000 -4.334) 7.271 9.259 ( -0.524 0.000 0.687) 0.864 9.270 ( -12.214 0.000 -2.596) 12.487 9.564 ( -7.803 0.000 9.736) 12.478 9.764 ( 7.634 0.000 6.028) 9.727 9.995 ( 10.208 0.000 2.546) 10.521 9.998 ( -1.452 0.000 -6.466) 6.628 10.124 ( -4.132 0.000 0.321) 4.144 10.368 ( -3.885 0.000 -2.199) 4.464 10.400 ( -11.072 0.000 0.793) 11.100 10.493 ( 0.534 0.000 4.121) 4.156 10.553 ( 2.236 0.000 0.782) 2.368 11.142 ( -4.437 0.000 0.348) 4.451 11.654 ( 8.158 0.000 -5.514) 9.847 11.758 ( 4.886 0.000 2.025) 5.289 11.766 ( 6.882 0.000 6.906) 9.750 11.887 ( -9.133 0.000 3.889) 9.926 12.415 ( -5.529 0.000 -4.375) 7.051 12.865 ( 0.211 0.000 -5.982) 5.986 13.055 ( -3.407 0.000 4.212) 5.418 13.214 ( -0.267 0.000 -1.208) 1.237 13.677 ( 2.048 0.000 -5.113) 5.508 14.997 ( -18.062 0.000 12.114) 21.748 15.705 ( -3.398 0.000 1.357) 3.659 15.770 ( 1.151 0.000 -6.591) 6.691 16.463 ( 0.225 0.000 3.457) 3.464 16.783 ( 8.322 0.000 -1.819) 8.518 16.789 ( 6.721 0.000 -0.016) 6.721 16.984 ( -2.225 0.000 0.897) 2.399 17.229 ( 6.064 0.000 -12.823) 14.185 17.501 ( 0.418 0.000 -4.206) 4.227 17.795 ( -11.824 0.000 -11.210) 16.293 18.887 ( -3.798 0.000 23.306) 23.613 20.500 ( 10.387 0.000 -6.439) 12.221 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -16.202 0.000 21.175) 26.663 1.000 ( -9.539 0.000 25.195) 26.940 1.659 ( -20.824 0.000 35.655) 41.291 2.002 ( 3.570 0.000 -12.057) 12.575 2.606 ( -5.537 0.000 -18.263) 19.084 2.660 ( 11.486 0.000 3.429) 11.987 3.193 ( -2.502 0.000 8.692) 9.045 3.303 ( 5.689 0.000 7.658) 9.540 3.483 ( 1.663 0.000 -10.788) 10.915 3.655 ( 9.603 0.000 -4.200) 10.481 3.966 ( 0.082 0.000 -11.548) 11.548 4.113 ( -2.384 0.000 -9.657) 9.947 4.243 ( 1.197 0.000 4.867) 5.012 4.329 ( -0.587 0.000 5.683) 5.713 4.477 ( 1.983 0.000 2.372) 3.092 4.545 ( 2.752 0.000 1.024) 2.937 5.041 ( -1.014 0.000 2.492) 2.690 5.073 ( 0.635 0.000 -0.864) 1.073 6.673 ( -0.977 0.000 2.288) 2.487 6.691 ( 9.355 0.000 -3.419) 9.960 7.197 ( 1.587 0.000 0.001) 1.587 7.572 ( 6.546 0.000 -10.237) 12.151 8.351 ( 0.840 0.000 -4.285) 4.367 8.431 ( -4.625 0.000 -0.033) 4.625 8.766 ( -2.254 0.000 7.153) 7.500 8.830 ( -3.629 0.000 -2.107) 4.196 8.980 ( -3.885 0.000 -2.838) 4.811 9.228 ( -0.191 0.000 6.319) 6.322 9.234 ( -6.443 0.000 2.324) 6.849 9.550 ( -7.797 0.000 9.678) 12.428 9.850 ( -0.720 0.000 -8.112) 8.144 9.923 ( 3.013 0.000 3.441) 4.574 10.103 ( -1.605 0.000 2.544) 3.008 10.199 ( 6.526 0.000 3.002) 7.183 10.281 ( -1.059 0.000 -2.078) 2.332 10.281 ( -0.208 0.000 -4.230) 4.235 10.581 ( -2.897 0.000 11.989) 12.334 10.597 ( 1.541 0.000 1.193) 1.949 11.101 ( -0.921 0.000 1.040) 1.389 11.673 ( 3.924 0.000 -4.710) 6.130 11.748 ( -12.127 0.000 5.334) 13.248 11.886 ( 5.354 0.000 -3.263) 6.270 11.972 ( 6.999 0.000 7.001) 9.900 12.283 ( -2.635 0.000 -1.922) 3.261 12.840 ( 4.111 0.000 -5.104) 6.554 12.996 ( -7.273 0.000 0.899) 7.328 13.220 ( 1.144 0.000 0.350) 1.197 13.630 ( 1.298 0.000 -7.740) 7.848 14.883 ( -13.969 0.000 15.185) 20.633 15.712 ( 3.497 0.000 -10.537) 11.102 15.720 ( 0.070 0.000 5.528) 5.528 16.478 ( 0.213 0.000 -2.029) 2.040 16.873 ( 5.027 0.000 -1.406) 5.220 16.877 ( 3.492 0.000 0.301) 3.504 16.977 ( -0.964 0.000 2.299) 2.493 17.201 ( 6.517 0.000 -9.987) 11.926 17.417 ( -15.403 0.000 -11.109) 18.991 17.438 ( 0.404 0.000 -7.650) 7.661 19.167 ( 0.582 0.000 26.768) 26.774 20.528 ( 5.018 0.000 -11.167) 12.243 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -6.356 4.800 22.907) 24.252 1.252 ( -0.314 4.830 24.695) 25.164 1.968 ( 7.540 2.737 -13.514) 15.715 2.069 ( -2.280 13.329 29.088) 32.078 2.274 ( -3.085 -1.818 -16.444) 16.829 2.916 ( 9.258 -0.152 7.311) 11.798 3.221 ( -6.399 3.063 3.070) 7.730 3.325 ( -1.310 -3.341 -8.997) 9.686 3.439 ( 1.791 0.154 4.688) 5.021 3.631 ( -2.749 -9.114 -11.006) 14.552 3.735 ( 4.732 -3.998 -4.603) 7.718 4.029 ( -1.729 1.853 -10.128) 10.441 4.278 ( -2.372 0.429 4.567) 5.164 4.341 ( 0.203 -2.890 3.759) 4.746 4.515 ( 0.954 -1.497 1.616) 2.401 4.586 ( -0.090 -0.217 -0.435) 0.495 5.020 ( -1.502 -1.880 1.734) 2.966 5.044 ( 0.305 -2.248 0.393) 2.302 6.683 ( -2.968 0.673 1.431) 3.363 6.767 ( 4.547 -1.638 -2.468) 5.427 7.198 ( -0.140 -1.387 1.741) 2.230 7.493 ( 2.311 -2.222 -10.129) 10.625 8.265 ( -6.434 -2.138 -2.462) 7.213 8.293 ( 4.045 -3.225 -3.552) 6.275 8.735 ( -4.293 -3.258 3.713) 6.544 8.810 ( 3.006 -2.944 -0.147) 4.210 9.049 ( 3.058 0.406 1.468) 3.417 9.120 ( -2.338 0.413 -0.276) 2.390 9.430 ( 5.716 3.277 8.907) 11.079 9.510 ( -7.612 -0.352 7.150) 10.450 9.809 ( 3.582 -0.939 -3.400) 5.027 9.873 ( -0.947 -1.764 -4.257) 4.704 10.126 ( -0.975 1.343 2.529) 3.025 10.280 ( 1.150 4.741 -4.327) 6.521 10.313 ( -0.939 2.294 2.447) 3.483 10.370 ( 3.194 1.207 1.470) 3.718 10.602 ( -6.867 0.800 6.716) 9.639 10.685 ( 3.725 2.545 1.052) 4.632 11.212 ( 5.434 2.258 9.194) 10.916 11.581 ( -6.924 -3.548 2.019) 8.038 11.746 ( -4.620 5.733 -7.101) 10.229 11.822 ( 3.847 -1.439 -5.241) 6.659 12.102 ( 3.116 -3.664 4.470) 6.566 12.271 ( 3.633 -4.055 -0.242) 5.450 12.913 ( -5.496 6.897 0.243) 8.823 12.954 ( 2.721 7.351 -1.802) 8.043 13.239 ( 1.209 -1.371 2.414) 3.028 13.538 ( 0.141 -0.501 -9.201) 9.216 14.969 ( -6.903 7.767 16.502) 19.501 15.655 ( 4.636 1.365 -11.114) 12.119 15.801 ( 1.319 -2.312 9.512) 9.878 16.386 ( 0.545 -3.001 -7.763) 8.341 16.694 ( 0.129 -12.498 -6.082) 13.900 16.830 ( -5.119 -8.120 -3.199) 10.118 16.966 ( 2.588 -4.218 0.765) 5.008 17.076 ( -2.758 -4.884 -2.601) 6.182 17.373 ( -0.979 14.042 -2.817) 14.355 17.499 ( 4.125 11.939 -5.901) 13.941 19.482 ( 0.384 -0.618 25.148) 25.159 20.364 ( -0.426 -4.767 -14.735) 15.493 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.278 7.401 20.056) 21.416 1.592 ( 5.674 0.531 22.853) 23.553 1.917 ( 7.242 0.806 -17.594) 19.044 2.019 ( 3.556 0.179 -19.100) 19.429 2.428 ( -0.284 8.028 22.068) 23.485 3.035 ( 3.877 6.898 -15.495) 17.399 3.191 ( 0.669 -4.981 13.361) 14.275 3.229 ( -8.314 -3.940 3.480) 9.836 3.360 ( -3.754 -1.157 -7.255) 8.250 3.568 ( 1.857 -5.227 -3.453) 6.534 3.749 ( -1.280 -1.991 2.880) 3.728 3.887 ( -1.616 0.197 -9.512) 9.650 4.286 ( -2.243 0.209 4.282) 4.839 4.383 ( 0.974 -1.646 1.546) 2.459 4.523 ( -3.104 -2.042 -0.996) 3.847 4.546 ( -1.182 -0.874 -0.159) 1.479 5.012 ( -1.700 -0.989 1.093) 2.250 5.054 ( 0.145 -2.109 1.170) 2.416 6.610 ( -6.386 -0.099 -0.206) 6.390 6.776 ( -0.276 -1.091 -1.652) 1.999 7.208 ( -2.564 -1.225 3.301) 4.356 7.403 ( 0.897 -1.148 -8.737) 8.858 8.182 ( -0.523 -3.491 0.301) 3.543 8.375 ( 6.444 -4.395 -0.679) 7.830 8.720 ( -1.566 -2.655 3.159) 4.414 8.895 ( 6.174 -3.310 -0.139) 7.007 8.995 ( -2.273 -0.241 -1.522) 2.746 9.225 ( 6.858 0.759 0.847) 6.952 9.426 ( -7.239 0.829 5.350) 9.039 9.689 ( 6.036 0.284 4.344) 7.442 9.735 ( -0.627 3.465 -3.725) 5.126 9.857 ( 5.339 -1.966 -4.402) 7.194 10.127 ( -2.476 0.733 2.855) 3.850 10.250 ( -4.587 -3.938 -2.070) 6.390 10.304 ( 2.712 10.079 0.429) 10.447 10.413 ( -4.841 3.551 -1.056) 6.096 10.550 ( 0.466 -0.927 4.916) 5.024 10.818 ( 7.571 1.678 2.889) 8.276 11.396 ( -3.803 0.347 3.051) 4.887 11.513 ( 4.456 -0.342 1.389) 4.680 11.539 ( -8.246 -0.815 -1.687) 8.456 11.926 ( 10.874 2.989 -2.419) 11.533 12.106 ( -6.751 -7.391 0.469) 10.021 12.322 ( 4.433 -2.333 -2.765) 5.722 12.830 ( -3.695 10.245 0.745) 10.917 13.021 ( 5.030 5.558 1.195) 7.591 13.295 ( 0.769 -0.605 3.907) 4.027 13.419 ( -1.232 -0.726 -9.325) 9.434 15.097 ( -1.103 6.816 16.381) 17.777 15.595 ( 4.962 2.061 -11.421) 12.622 15.974 ( 3.223 -1.185 11.687) 12.181 16.234 ( 0.386 -1.620 -17.126) 17.206 16.609 ( -8.122 -13.955 5.033) 16.913 16.695 ( -6.329 -12.140 -3.430) 14.114 17.023 ( 4.713 0.115 -2.211) 5.207 17.103 ( 2.097 2.367 2.500) 4.031 17.354 ( 3.220 6.970 -0.834) 7.723 17.508 ( 4.593 11.071 -5.162) 13.050 19.743 ( -2.602 -1.898 22.476) 22.706 20.129 ( -4.692 -4.216 -17.691) 18.782 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 2.209 5.902 14.035) 15.385 1.780 ( 4.149 -1.016 -14.898) 15.498 1.840 ( 8.410 -1.163 -9.210) 12.526 2.081 ( 10.192 1.533 13.017) 16.603 2.482 ( -7.500 -0.344 1.291) 7.618 2.918 ( 5.036 10.122 -17.121) 20.517 3.091 ( -12.761 -4.056 4.776) 14.217 3.262 ( -1.154 -0.539 2.609) 2.904 3.406 ( 1.251 -8.033 7.012) 10.736 3.507 ( -2.403 -4.100 -1.956) 5.138 3.679 ( -4.934 -0.141 -8.740) 10.037 3.862 ( 0.274 1.910 9.120) 9.322 4.310 ( 0.010 -1.790 1.888) 2.602 4.374 ( -1.824 -1.269 -4.840) 5.326 4.444 ( -1.649 -2.787 1.340) 3.505 4.543 ( -0.829 2.595 0.718) 2.817 4.997 ( -1.056 -2.741 0.808) 3.047 5.069 ( 0.138 -1.886 0.622) 1.990 6.487 ( -6.583 0.421 -0.767) 6.641 6.740 ( -1.890 0.699 -0.553) 2.090 7.175 ( -5.040 -3.061 2.351) 6.348 7.339 ( 1.395 0.183 -5.424) 5.604 8.231 ( 3.439 -5.254 0.866) 6.339 8.439 ( 0.509 -8.371 1.044) 8.451 8.767 ( 1.300 -1.334 4.648) 5.007 8.962 ( 3.655 1.413 0.162) 3.922 9.033 ( 7.605 -2.016 -2.095) 8.142 9.270 ( -3.031 -0.884 0.627) 3.218 9.393 ( -2.530 -0.744 0.523) 2.689 9.589 ( -1.504 5.239 -3.180) 6.310 9.894 ( 4.681 -1.435 -3.776) 6.183 9.939 ( 8.221 -1.525 2.908) 8.852 10.101 ( -5.385 -1.651 -1.148) 5.748 10.138 ( -3.841 -2.599 2.408) 5.226 10.288 ( -3.791 6.775 0.347) 7.771 10.390 ( 6.418 8.813 -0.965) 10.945 10.652 ( 4.524 -0.334 1.020) 4.649 10.988 ( 8.042 1.030 3.431) 8.804 11.198 ( -7.078 0.361 -10.438) 12.617 11.430 ( -6.228 -0.554 3.143) 6.998 11.684 ( 2.560 -3.971 5.092) 6.946 11.936 ( -7.264 -9.183 -4.340) 12.488 12.113 ( 10.850 6.925 1.121) 12.921 12.348 ( 3.914 1.728 -4.140) 5.953 12.799 ( -1.548 10.499 0.809) 10.644 13.141 ( 5.570 2.087 2.965) 6.646 13.293 ( -1.871 -1.013 -6.930) 7.249 13.348 ( -0.775 0.012 5.170) 5.228 15.287 ( 2.787 3.462 12.178) 12.963 15.581 ( 7.539 2.095 -7.995) 11.187 16.060 ( 2.675 -1.102 -14.659) 14.942 16.160 ( 1.064 -0.474 12.359) 12.414 16.499 ( -6.137 -15.097 -2.965) 16.564 16.599 ( -7.302 -9.806 6.884) 14.031 17.007 ( -4.424 9.517 -1.847) 10.657 17.135 ( -1.925 10.668 2.836) 11.206 17.476 ( 8.830 1.756 -2.209) 9.270 17.583 ( 11.966 -0.778 -0.521) 12.002 19.816 ( -6.414 -4.165 -18.829) 20.322 19.905 ( -6.456 -3.440 18.111) 19.532 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.607 -5.216 -6.196) 9.850 1.735 ( 0.807 3.381 1.261) 3.698 1.906 ( 14.594 3.315 -10.788) 18.449 2.353 ( -4.182 -3.659 -1.933) 5.883 2.446 ( 8.408 -2.829 16.988) 19.165 2.793 ( 1.720 11.754 -14.303) 18.593 2.946 ( -10.306 -5.407 6.031) 13.108 3.238 ( -5.158 -2.559 -0.685) 5.799 3.302 ( -6.316 -0.165 -4.160) 7.565 3.445 ( -7.440 0.036 -9.885) 12.372 3.607 ( -1.057 -7.603 10.229) 12.789 3.931 ( -5.877 -2.024 5.553) 8.335 4.258 ( 1.116 1.123 -3.378) 3.731 4.382 ( 3.083 -3.440 -0.570) 4.654 4.451 ( 0.232 -0.571 -0.903) 1.094 4.541 ( 0.998 4.571 0.615) 4.719 4.995 ( -0.344 -4.864 0.302) 4.885 5.070 ( 0.232 -1.732 -0.797) 1.921 6.397 ( -3.482 1.006 0.367) 3.643 6.700 ( -2.793 1.769 -0.171) 3.311 7.129 ( -2.824 -4.195 2.926) 5.842 7.318 ( 1.805 1.940 -2.945) 3.961 8.249 ( -0.079 -6.449 -3.449) 7.314 8.438 ( -0.907 -7.049 -0.294) 7.113 8.871 ( 1.954 -5.252 8.476) 10.161 9.026 ( 5.189 1.000 -3.953) 6.599 9.145 ( 1.811 2.407 3.463) 4.590 9.189 ( -3.964 -2.048 -0.499) 4.489 9.336 ( -1.793 -3.162 -1.085) 3.793 9.537 ( -5.180 4.390 0.675) 6.823 9.886 ( -2.382 0.424 -3.109) 3.939 9.992 ( 3.198 -0.153 -2.237) 3.905 10.068 ( 3.920 1.215 -3.430) 5.349 10.135 ( -0.647 -4.004 3.767) 5.536 10.362 ( 5.812 6.312 4.878) 9.871 10.487 ( 6.492 3.654 -1.304) 7.563 10.705 ( 3.580 1.380 -3.263) 5.037 10.972 ( -2.729 -1.064 -11.831) 12.188 11.169 ( 6.444 1.889 4.870) 8.296 11.377 ( -4.778 -1.801 2.634) 5.746 11.634 ( -7.877 -9.848 -2.248) 12.810 11.838 ( -0.823 2.741 -1.782) 3.372 12.302 ( 8.173 5.195 2.438) 9.987 12.365 ( 4.679 2.176 -6.174) 8.046 12.807 ( 0.611 9.446 3.004) 9.931 13.188 ( 0.057 -2.342 -3.619) 4.312 13.258 ( 2.540 1.378 -1.085) 3.087 13.402 ( -1.752 -0.004 8.716) 8.890 15.436 ( 5.292 -4.006 1.699) 6.851 15.685 ( 10.219 3.805 -0.212) 10.907 15.995 ( 5.869 2.907 -8.389) 10.643 16.237 ( -7.889 -14.490 6.488) 17.728 16.449 ( 3.166 -1.533 3.581) 5.020 16.551 ( -9.106 -5.179 6.527) 12.343 16.892 ( -7.769 8.639 2.574) 11.900 17.083 ( -6.347 17.237 0.340) 18.372 17.575 ( 9.571 -2.018 -5.643) 11.292 17.852 ( 14.011 -4.874 3.730) 15.296 19.507 ( -4.077 -4.999 -17.393) 18.551 19.944 ( -10.310 -4.964 12.711) 17.103 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 8.289 -10.854 -6.775) 15.245 1.734 ( -2.442 1.180 -0.497) 2.757 2.076 ( 17.139 4.012 -7.075) 18.970 2.310 ( -0.430 -3.473 0.655) 3.560 2.609 ( -4.565 8.195 -3.353) 9.962 2.697 ( 0.095 1.623 2.854) 3.285 2.975 ( -1.361 -4.666 3.236) 5.839 3.014 ( -7.729 -8.029 0.475) 11.154 3.142 ( -7.862 1.636 -10.496) 13.215 3.333 ( -0.514 4.073 7.322) 8.394 3.603 ( -7.131 -4.067 0.455) 8.222 3.882 ( -4.032 -8.877 4.976) 10.947 4.287 ( 3.132 0.728 -0.616) 3.274 4.377 ( 0.079 0.553 -6.492) 6.516 4.416 ( 0.923 1.410 -4.070) 4.405 4.611 ( 2.935 1.219 3.053) 4.407 4.973 ( -1.080 -5.702 -2.444) 6.297 5.061 ( 0.227 -1.196 -1.691) 2.083 6.380 ( -0.378 0.458 1.853) 1.946 6.638 ( -3.563 0.468 -0.699) 3.661 7.161 ( -0.356 -1.299 6.180) 6.325 7.334 ( 4.064 2.299 -2.597) 5.342 8.177 ( -1.564 -6.911 -5.106) 8.734 8.398 ( -0.351 -2.821 -4.701) 5.494 8.967 ( -5.172 -8.077 9.739) 13.668 9.040 ( 2.861 1.120 -6.698) 7.369 9.075 ( -5.084 -1.964 -1.190) 5.579 9.197 ( 2.173 -0.536 2.172) 3.118 9.308 ( -7.178 -1.640 3.205) 8.031 9.526 ( 2.838 5.178 6.219) 8.576 9.816 ( -0.442 -0.197 -4.242) 4.270 10.020 ( 1.109 0.978 -0.463) 1.549 10.065 ( -0.563 -0.920 -1.066) 1.516 10.227 ( 6.883 -2.728 -0.152) 7.405 10.478 ( 4.340 4.626 -0.867) 6.402 10.569 ( 3.088 5.573 1.468) 6.538 10.711 ( 2.730 3.309 -5.418) 6.910 10.860 ( 2.960 -6.033 -5.842) 8.905 11.249 ( -3.690 -1.945 -0.482) 4.199 11.347 ( -1.047 -3.844 0.427) 4.007 11.494 ( -1.992 -5.602 -1.541) 6.142 11.833 ( 0.823 6.241 1.056) 6.383 12.338 ( 4.603 3.189 -9.096) 10.682 12.437 ( 2.385 5.713 3.365) 7.046 12.883 ( 1.574 6.805 4.982) 8.580 13.161 ( 0.258 -2.648 -3.251) 4.201 13.262 ( 0.808 1.762 0.595) 2.028 13.479 ( -1.022 -1.214 7.058) 7.234 15.539 ( 8.478 -8.453 -2.591) 12.250 15.874 ( 10.447 1.928 0.983) 10.669 16.050 ( 4.704 2.530 -1.296) 5.497 16.136 ( -5.571 -13.741 1.400) 14.893 16.412 ( -13.779 0.892 3.514) 14.248 16.609 ( 4.955 4.117 8.768) 10.880 16.847 ( -4.540 6.748 5.214) 9.661 16.958 ( -8.762 15.461 3.540) 18.120 17.662 ( 9.379 -3.708 -7.238) 12.414 18.054 ( 5.731 -3.473 -0.535) 6.723 19.329 ( 4.448 -7.050 -11.205) 13.966 19.857 ( -13.553 -6.203 7.038) 16.484 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -4.420 0.113 -0.854) 4.503 1.749 ( 8.102 -16.022 -4.702) 18.559 2.274 ( 6.135 4.611 -0.802) 7.717 2.316 ( 9.594 0.119 -7.238) 12.019 2.463 ( -8.403 3.536 -5.660) 10.731 2.666 ( -5.866 5.009 -1.070) 7.788 2.804 ( -1.507 1.136 3.839) 4.278 2.879 ( -7.375 -0.018 -7.222) 10.323 3.211 ( 3.756 -7.850 9.478) 12.867 3.460 ( -1.973 -1.759 0.465) 2.684 3.510 ( 4.757 -0.637 5.797) 7.526 3.856 ( -6.913 -8.462 3.398) 11.443 4.280 ( -0.382 -0.050 -6.441) 6.453 4.317 ( 0.899 -0.365 -2.865) 3.025 4.408 ( 4.647 1.549 -3.286) 5.899 4.646 ( -2.554 0.432 0.420) 2.624 4.920 ( -0.485 -4.704 -2.617) 5.404 5.033 ( -0.392 -0.669 -2.884) 2.987 6.416 ( 1.303 -1.262 2.759) 3.302 6.578 ( -2.079 -1.624 -1.265) 2.926 7.226 ( -1.941 2.637 7.254) 7.958 7.389 ( 5.402 2.245 -2.523) 6.370 8.099 ( -1.044 -6.309 -3.772) 7.424 8.325 ( 0.576 -0.352 -7.802) 7.831 8.916 ( -7.298 -3.827 2.453) 8.598 8.980 ( 0.276 4.049 -4.915) 6.375 9.045 ( -0.115 -5.874 3.098) 6.642 9.222 ( -4.071 -0.548 1.159) 4.268 9.299 ( 1.095 -5.112 6.497) 8.339 9.683 ( 3.441 4.088 7.852) 9.498 9.765 ( 0.640 -0.912 -4.012) 4.164 10.027 ( -0.056 1.075 0.033) 1.077 10.040 ( -1.084 -2.846 0.362) 3.067 10.277 ( 2.078 1.824 -5.775) 6.403 10.504 ( 1.572 1.646 -2.055) 3.066 10.613 ( -1.568 6.232 -2.545) 6.912 10.724 ( 8.211 -0.752 0.034) 8.246 10.897 ( 2.365 -0.968 0.633) 2.633 11.131 ( -6.360 -2.753 -2.400) 7.334 11.230 ( -3.965 -10.825 -7.068) 13.522 11.577 ( 4.651 -2.547 4.986) 7.279 11.863 ( 0.266 2.210 0.483) 2.278 12.343 ( 6.962 7.124 -5.904) 11.579 12.446 ( -4.184 10.264 0.049) 11.084 12.947 ( 0.055 3.437 3.879) 5.183 13.095 ( -2.118 0.809 -3.436) 4.116 13.352 ( 4.698 -1.087 4.974) 6.927 13.512 ( -2.244 -2.532 3.040) 4.549 15.676 ( 10.748 -9.814 -1.549) 14.637 15.934 ( -9.456 -10.618 -1.409) 14.288 16.047 ( 2.197 -2.980 2.463) 4.446 16.168 ( -2.051 -1.225 0.573) 2.456 16.290 ( 2.797 10.587 3.561) 11.515 16.704 ( -6.683 15.230 -6.184) 17.744 16.805 ( -0.447 5.277 14.219) 15.173 17.009 ( 0.334 3.253 13.012) 13.416 17.719 ( 8.310 -3.691 -8.468) 12.425 18.010 ( -3.795 -1.847 -8.011) 9.055 19.414 ( 13.909 -8.728 -2.557) 16.619 19.659 ( -15.851 -6.920 2.008) 17.412 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -5.568 -5.980 2.050) 8.424 1.809 ( 6.681 -7.292 -5.424) 11.279 2.082 ( -19.859 -0.546 -4.168) 20.299 2.356 ( 3.844 5.477 1.180) 6.794 2.496 ( 14.089 2.590 -5.791) 15.451 2.605 ( 5.113 8.949 -9.036) 13.707 2.814 ( -0.992 -3.322 5.674) 6.650 2.835 ( -1.840 0.719 2.091) 2.877 3.326 ( 1.121 -3.779 3.916) 5.556 3.429 ( 1.259 -0.904 0.918) 1.802 3.713 ( -9.154 -7.606 -2.373) 12.135 3.739 ( 8.482 -6.857 7.198) 13.068 4.217 ( -1.613 1.130 -3.846) 4.321 4.287 ( 3.252 4.115 -4.162) 6.696 4.481 ( -0.267 -4.757 1.220) 4.918 4.552 ( -1.271 -2.390 -2.523) 3.700 4.917 ( 0.955 -0.777 0.913) 1.532 4.980 ( -1.460 -0.335 -3.633) 3.930 6.484 ( 2.687 -2.538 3.095) 4.821 6.537 ( -0.375 -3.126 -2.324) 3.914 7.249 ( -4.139 3.754 4.965) 7.475 7.439 ( 3.847 2.999 -2.300) 5.393 8.069 ( 0.377 -4.977 -0.094) 4.992 8.245 ( 1.598 0.406 -8.423) 8.583 8.823 ( -6.266 -1.824 1.967) 6.816 8.986 ( 5.419 0.861 -3.419) 6.465 9.107 ( 2.128 -4.295 4.766) 6.760 9.203 ( 1.678 -0.558 -0.791) 1.938 9.373 ( -2.530 -4.259 9.015) 10.287 9.672 ( -0.915 -4.874 -7.102) 8.662 9.864 ( 2.065 3.987 9.075) 10.125 10.014 ( -0.654 -0.892 0.938) 1.450 10.052 ( 1.015 -0.183 -0.100) 1.036 10.179 ( -2.986 3.285 -8.422) 9.521 10.501 ( 0.534 4.193 -1.819) 4.601 10.520 ( -3.211 3.256 -3.415) 5.707 10.780 ( -9.411 -3.092 2.651) 10.255 10.971 ( -2.255 1.180 1.488) 2.948 11.025 ( 6.607 -2.528 -1.934) 7.334 11.160 ( 5.891 -10.777 -5.386) 13.411 11.710 ( 2.489 -3.814 6.234) 7.720 11.824 ( -2.319 -3.415 -4.069) 5.796 12.299 ( -9.214 16.367 -2.812) 18.992 12.431 ( 6.680 8.814 -1.358) 11.142 12.985 ( -0.344 2.209 3.208) 3.910 13.039 ( -1.234 1.755 -1.090) 2.406 13.476 ( -3.745 -2.960 -0.254) 4.780 13.492 ( 5.043 -2.328 3.981) 6.834 15.697 ( -14.706 -5.352 -1.510) 15.722 15.858 ( 10.188 -9.349 0.350) 13.832 15.956 ( -11.384 -6.283 4.545) 13.774 16.266 ( 9.947 -3.294 -0.857) 10.513 16.411 ( -2.364 13.100 1.127) 13.359 16.529 ( 0.117 13.493 -1.786) 13.612 16.955 ( -0.239 2.373 10.364) 10.635 17.195 ( 4.052 4.605 10.879) 12.490 17.748 ( 4.022 -4.220 -6.767) 8.932 17.818 ( -2.164 -0.447 -10.226) 10.462 19.373 ( -17.841 -7.336 -1.048) 19.319 19.686 ( 17.484 -8.539 0.953) 19.481 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -14.831 -10.400 0.866) 18.135 1.723 ( -21.546 8.011 4.806) 23.484 1.902 ( 13.177 0.225 -6.587) 14.734 2.449 ( 6.969 5.037 -2.617) 8.988 2.578 ( 2.338 3.423 -5.343) 6.762 2.660 ( -2.718 4.150 -0.711) 5.012 2.842 ( 5.981 -3.266 2.945) 7.423 2.863 ( 3.676 -2.173 2.834) 5.125 3.397 ( 2.932 -3.250 4.303) 6.138 3.476 ( 1.009 -4.115 -5.507) 6.948 3.548 ( -1.370 -4.002 -0.350) 4.244 3.963 ( 8.047 -6.524 6.385) 12.169 4.141 ( -1.078 0.714 -3.620) 3.843 4.325 ( 0.806 2.036 -0.606) 2.272 4.361 ( -2.227 -1.115 -3.695) 4.456 4.636 ( 2.857 -6.372 3.600) 7.856 4.902 ( -2.194 -1.071 -2.854) 3.756 4.963 ( 1.595 1.794 2.309) 3.331 6.511 ( 1.469 -2.855 -3.317) 4.617 6.575 ( 3.739 -1.984 2.718) 5.030 7.203 ( -5.509 1.923 1.745) 6.090 7.470 ( 3.944 2.095 -3.309) 5.558 8.112 ( 2.111 -3.107 3.617) 5.214 8.199 ( 3.252 -0.296 -5.962) 6.798 8.763 ( -5.029 -0.639 4.198) 6.582 9.045 ( 4.134 -1.723 -1.117) 4.616 9.196 ( 4.253 -1.664 -0.746) 4.628 9.281 ( 6.781 -3.192 2.415) 7.875 9.441 ( -2.771 -3.050 10.382) 11.169 9.543 ( -3.633 -6.524 -8.066) 10.991 9.906 ( -3.197 1.289 -2.786) 4.432 9.989 ( -6.107 3.389 -3.743) 7.924 10.065 ( -0.247 2.201 0.201) 2.224 10.096 ( 2.795 3.150 5.244) 6.726 10.422 ( -4.827 1.937 -0.107) 5.202 10.506 ( 0.789 2.181 -0.906) 2.489 10.605 ( -9.138 -4.427 -0.978) 10.201 10.831 ( -8.293 -0.491 -2.529) 8.684 11.192 ( 6.263 -3.980 1.416) 7.555 11.298 ( 12.639 -5.304 0.377) 13.712 11.642 ( -7.812 0.297 -5.567) 9.597 11.841 ( 2.195 -2.229 3.782) 4.908 12.119 ( -7.435 15.431 -2.251) 17.276 12.513 ( 2.774 5.321 0.319) 6.009 13.007 ( -1.231 1.360 3.004) 3.520 13.022 ( -0.147 2.621 -0.545) 2.681 13.386 ( -4.626 -1.585 -2.579) 5.528 13.602 ( 4.201 -2.357 1.303) 4.990 15.432 ( -16.037 -1.257 1.542) 16.160 15.802 ( -10.316 -5.654 2.225) 11.972 16.041 ( 8.196 -12.565 2.124) 15.151 16.214 ( -9.657 10.924 -4.281) 15.196 16.451 ( 10.092 -0.734 0.788) 10.150 16.657 ( 7.555 9.807 2.233) 12.579 17.017 ( -3.163 -0.726 5.101) 6.046 17.349 ( 5.270 7.761 0.228) 9.384 17.612 ( -3.312 -0.647 -6.494) 7.318 17.858 ( 7.437 -2.835 -0.121) 7.960 19.048 ( -18.675 -6.656 -0.685) 19.838 19.996 ( 17.382 -8.041 0.701) 19.164 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -19.341 -7.404 4.216) 21.135 1.456 ( -21.199 10.615 9.905) 25.694 2.074 ( 15.369 3.060 -8.910) 18.027 2.292 ( -22.328 9.743 0.212) 24.362 2.454 ( -3.153 1.034 -4.176) 5.334 2.754 ( 7.448 -1.313 9.438) 12.094 2.974 ( 3.287 -0.458 5.877) 6.749 3.036 ( 7.941 -3.330 -4.764) 9.841 3.340 ( 3.089 -7.313 -7.322) 10.800 3.541 ( 5.416 -1.957 -1.412) 5.929 3.669 ( 11.743 -2.001 3.488) 12.412 4.108 ( 0.820 -3.954 -2.977) 5.017 4.125 ( 2.585 -2.292 3.592) 4.983 4.284 ( 1.421 -2.261 1.970) 3.319 4.391 ( 2.652 1.638 -0.876) 3.237 4.635 ( -4.573 -0.478 -1.872) 4.965 4.889 ( 1.345 -4.699 2.623) 5.546 5.017 ( 1.541 0.877 1.756) 2.495 6.517 ( 4.482 -1.427 -3.988) 6.167 6.660 ( 2.554 0.447 2.015) 3.284 7.134 ( -2.756 -1.203 -0.128) 3.010 7.497 ( 5.214 -0.372 -5.315) 7.455 8.195 ( 4.474 -3.499 -0.583) 5.710 8.241 ( 4.083 -0.488 3.631) 5.486 8.747 ( -4.384 0.713 6.475) 7.852 9.084 ( -0.338 -3.630 0.707) 3.714 9.240 ( 2.676 -1.428 -1.224) 3.271 9.305 ( -4.632 -6.041 -8.009) 11.049 9.483 ( 0.605 -4.179 1.567) 4.504 9.514 ( 1.040 -3.329 6.458) 7.339 9.700 ( -11.371 5.497 -3.220) 13.034 9.905 ( -0.546 0.927 -0.132) 1.084 10.080 ( 1.555 4.945 -0.467) 5.205 10.183 ( -0.121 2.840 1.230) 3.097 10.355 ( -6.335 -4.682 6.583) 10.266 10.472 ( -0.767 -3.565 -3.155) 4.822 10.540 ( -2.377 4.479 3.372) 6.089 10.654 ( -6.468 2.759 -4.651) 8.431 11.236 ( -3.571 -1.199 0.006) 3.767 11.510 ( 7.234 -6.210 2.541) 9.867 11.524 ( 6.273 1.557 -3.675) 7.435 11.888 ( 0.090 6.444 0.822) 6.497 12.013 ( -4.762 8.294 1.546) 9.688 12.505 ( -2.735 0.189 -2.321) 3.592 12.997 ( -1.277 4.082 -2.372) 4.891 13.027 ( -1.034 -0.224 3.825) 3.968 13.282 ( -3.404 0.767 -2.567) 4.332 13.661 ( 3.169 -1.720 -1.785) 4.023 15.208 ( -16.010 1.670 6.411) 17.327 15.663 ( -7.146 -6.172 0.097) 9.442 16.024 ( -7.188 9.433 -3.426) 12.344 16.186 ( 5.653 -13.691 2.785) 15.072 16.619 ( 8.836 -0.024 -0.846) 8.876 16.798 ( 7.169 6.528 0.853) 9.734 16.984 ( -4.018 -3.142 0.983) 5.195 17.377 ( 4.047 8.576 -7.311) 11.974 17.528 ( 0.002 0.856 -4.471) 4.552 17.956 ( 1.409 -2.074 -1.792) 3.082 18.798 ( -13.546 -4.409 9.354) 17.042 20.265 ( 14.946 -7.281 -1.950) 16.739 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -16.335 -2.740 14.493) 22.009 1.231 ( -20.051 10.819 11.804) 25.660 1.941 ( -27.724 12.924 17.955) 35.469 2.115 ( 3.256 2.898 -10.727) 11.579 2.483 ( 9.080 1.682 -0.372) 9.242 2.836 ( -4.278 -3.679 -11.517) 12.825 3.054 ( 6.915 -3.553 7.540) 10.830 3.120 ( 1.725 1.169 7.883) 8.154 3.423 ( 11.239 -5.818 -7.039) 14.482 3.587 ( 6.480 1.066 -5.348) 8.469 3.902 ( 7.545 -6.643 -1.646) 10.186 4.082 ( 3.911 -6.260 -1.889) 7.619 4.189 ( -0.049 -0.864 5.658) 5.724 4.373 ( 0.747 1.943 -3.872) 4.396 4.402 ( 2.219 -0.085 2.743) 3.529 4.526 ( -3.367 1.179 -0.034) 3.567 4.960 ( 1.744 -4.581 3.601) 6.082 5.044 ( 0.311 -1.350 0.111) 1.390 6.576 ( 7.994 -0.582 -3.961) 8.940 6.696 ( -0.481 2.566 1.492) 3.007 7.129 ( 2.082 -3.102 -0.156) 3.739 7.522 ( 6.448 -2.532 -7.350) 10.100 8.266 ( 4.873 -5.028 -1.248) 7.112 8.368 ( 3.550 -1.502 4.714) 6.089 8.758 ( -3.935 1.575 7.042) 8.220 8.967 ( -8.748 -5.126 -4.714) 11.182 9.216 ( 0.073 -1.213 0.103) 1.219 9.233 ( -12.980 1.102 -7.394) 14.979 9.271 ( -2.106 -1.345 0.773) 2.616 9.597 ( -7.765 2.350 7.894) 11.319 9.692 ( 6.026 -6.111 6.391) 10.701 9.941 ( 0.009 -2.757 -2.900) 4.002 10.056 ( 0.460 1.431 -2.174) 2.643 10.157 ( 0.279 4.553 2.422) 5.165 10.387 ( -4.035 1.150 7.424) 8.528 10.440 ( 1.488 -0.833 -3.905) 4.261 10.459 ( -4.267 4.362 -0.661) 6.138 10.616 ( 0.627 5.311 2.922) 6.094 11.148 ( -4.807 1.220 0.348) 4.971 11.607 ( 6.361 -5.597 -1.899) 8.683 11.680 ( 6.528 -6.910 3.082) 9.993 11.888 ( 1.865 11.634 -3.699) 12.350 11.983 ( -3.899 7.036 6.653) 10.439 12.376 ( -6.435 -2.995 -5.131) 8.758 12.937 ( -0.105 6.380 -4.326) 7.709 13.049 ( -2.301 -0.983 3.997) 4.716 13.223 ( -1.399 0.968 -0.945) 1.946 13.668 ( 2.245 -1.009 -4.923) 5.504 15.043 ( -15.504 4.856 11.072) 19.661 15.590 ( -1.233 -6.369 0.133) 6.489 15.889 ( -4.434 6.085 -3.353) 8.241 16.302 ( 4.296 -12.259 2.897) 13.309 16.708 ( 6.323 -1.079 -5.532) 8.471 16.913 ( 6.090 1.541 -1.745) 6.520 16.932 ( -2.432 -2.737 0.639) 3.717 17.344 ( 0.816 7.582 -5.325) 9.301 17.480 ( 0.603 1.893 -5.191) 5.558 17.793 ( -8.674 -0.393 -11.890) 14.723 18.873 ( -1.949 -1.056 22.688) 22.796 20.437 ( 10.618 -6.426 -6.016) 13.793 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -9.164 -0.083 23.078) 24.831 1.111 ( -13.520 10.273 18.916) 25.419 1.843 ( -17.438 15.685 31.412) 39.202 2.031 ( 2.777 2.918 -10.445) 11.195 2.553 ( -4.383 -3.778 -16.517) 17.501 2.687 ( 10.349 1.698 1.343) 10.573 3.211 ( -0.972 0.520 7.411) 7.493 3.276 ( 4.895 -2.155 9.533) 10.931 3.452 ( 3.443 -3.106 -10.042) 11.061 3.659 ( 8.202 -0.069 -4.770) 9.488 3.828 ( -1.116 -10.755 -12.286) 16.366 4.163 ( 0.363 0.158 -5.337) 5.352 4.243 ( 0.284 1.075 3.491) 3.664 4.294 ( -0.916 -1.922 2.607) 3.366 4.472 ( 1.862 -1.065 1.419) 2.572 4.552 ( 1.836 0.922 2.782) 3.458 5.016 ( 0.325 -2.530 2.732) 3.738 5.036 ( -0.311 -3.234 -0.777) 3.340 6.678 ( 7.504 -0.920 -2.999) 8.134 6.699 ( -0.114 2.139 1.539) 2.638 7.171 ( 2.055 -2.391 0.383) 3.176 7.536 ( 6.064 -3.326 -9.242) 11.544 8.294 ( 1.612 -5.127 -3.818) 6.593 8.405 ( -3.583 -2.852 -0.494) 4.606 8.771 ( -4.743 -0.285 5.835) 7.525 8.816 ( -3.583 -1.342 -1.811) 4.233 8.988 ( -2.360 0.451 -2.657) 3.582 9.220 ( -5.649 -1.333 2.117) 6.178 9.276 ( 0.787 3.013 5.191) 6.053 9.561 ( -7.646 0.802 7.799) 10.951 9.824 ( -2.218 -2.691 -2.838) 4.496 9.845 ( 4.787 -6.170 1.902) 8.037 10.104 ( 0.648 0.591 2.036) 2.216 10.248 ( 5.449 2.571 2.022) 6.355 10.342 ( 0.464 4.065 -5.198) 6.615 10.354 ( -3.243 8.231 -1.831) 9.035 10.536 ( 0.878 -1.626 7.936) 8.149 10.663 ( -1.743 4.286 5.499) 7.187 11.108 ( -0.637 1.415 1.818) 2.390 11.637 ( -0.610 -6.255 -0.214) 6.289 11.779 ( -1.085 2.251 1.412) 2.871 11.886 ( 3.867 -2.003 -1.744) 4.691 12.019 ( 1.594 9.220 -0.959) 9.406 12.237 ( -2.551 -4.976 -0.566) 5.620 12.916 ( 2.746 8.036 -3.225) 9.084 13.021 ( -5.550 1.402 2.048) 6.080 13.209 ( 0.308 -0.710 0.268) 0.820 13.624 ( 1.310 -0.579 -7.605) 7.738 14.953 ( -12.483 7.129 14.462) 20.391 15.624 ( 4.316 -4.933 0.254) 6.560 15.791 ( -2.789 2.993 -2.798) 4.956 16.390 ( 2.354 -8.550 1.607) 9.013 16.721 ( 6.958 -5.359 -10.561) 13.736 16.907 ( -2.083 -4.535 1.929) 5.350 16.952 ( 2.770 -2.505 -5.431) 6.592 17.242 ( -9.471 -1.876 -1.857) 9.832 17.428 ( 0.286 7.677 -5.190) 9.272 17.544 ( -0.988 9.003 -10.523) 13.883 19.165 ( 1.413 -0.066 25.745) 25.783 20.474 ( 5.114 -5.555 -10.582) 12.999 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.150 11.405 17.551) 20.931 1.451 ( -1.944 13.638 17.977) 22.648 2.025 ( 6.101 2.705 -12.687) 14.336 2.232 ( -2.662 2.450 -14.824) 15.259 2.397 ( -2.741 14.061 24.402) 28.297 2.883 ( 5.031 -2.941 6.521) 8.745 3.214 ( -2.100 -5.421 0.000) 5.814 3.277 ( -3.957 -3.022 -5.943) 7.753 3.402 ( 4.121 -6.320 -4.896) 8.994 3.454 ( -1.531 -2.656 2.050) 3.688 3.659 ( 3.589 -4.959 -3.615) 7.109 4.018 ( -3.331 -2.061 -9.654) 10.419 4.299 ( -0.885 -0.520 3.879) 4.013 4.309 ( -0.198 2.021 2.926) 3.562 4.449 ( 2.667 -5.206 1.495) 6.037 4.580 ( -3.237 -0.481 -1.501) 3.600 4.969 ( 0.413 -2.846 2.134) 3.581 5.000 ( 0.006 -2.057 1.454) 2.519 6.689 ( -1.869 -0.377 -0.551) 1.985 6.727 ( 2.076 -2.139 -2.319) 3.777 7.175 ( 0.389 -0.613 2.622) 2.721 7.438 ( 2.987 -3.333 -7.672) 8.882 8.198 ( -0.215 -4.829 -2.438) 5.414 8.210 ( -2.284 -4.968 -2.892) 6.185 8.662 ( -4.043 -3.859 2.589) 6.159 8.732 ( 1.024 -4.664 -0.513) 4.802 9.052 ( -1.571 0.245 1.906) 2.482 9.129 ( 2.518 0.585 -0.529) 2.639 9.487 ( 5.977 1.068 7.764) 9.856 9.519 ( -6.705 2.371 4.462) 8.396 9.760 ( 1.636 -4.979 2.514) 5.812 9.836 ( 2.989 -0.458 -0.667) 3.097 10.144 ( -0.720 0.105 1.211) 1.413 10.282 ( -1.697 -1.228 -7.417) 7.707 10.390 ( 3.744 3.740 2.955) 6.061 10.473 ( -1.669 6.668 1.395) 7.014 10.658 ( -5.660 5.646 5.001) 9.430 10.749 ( 3.347 3.907 -0.318) 5.154 11.277 ( 4.931 3.968 8.800) 10.840 11.495 ( -3.565 -4.981 0.697) 6.165 11.686 ( 0.119 -7.671 -3.764) 8.545 11.928 ( 1.249 8.034 -9.015) 12.140 12.008 ( -3.556 -5.967 3.529) 7.792 12.236 ( 2.799 1.166 -2.517) 3.941 13.046 ( -2.299 6.128 4.344) 7.855 13.140 ( 2.256 10.423 -1.200) 10.731 13.211 ( 0.874 -1.071 2.720) 3.051 13.529 ( -0.097 -0.306 -8.861) 8.866 15.170 ( -5.621 12.026 13.760) 19.119 15.678 ( 8.087 -0.239 -1.548) 8.237 15.758 ( -3.519 -0.469 6.411) 7.329 16.282 ( 0.487 -7.223 0.928) 7.298 16.510 ( 0.302 -6.098 -18.360) 19.349 16.671 ( -6.831 -7.973 -5.317) 11.769 16.841 ( 5.618 -8.066 -2.205) 10.073 16.934 ( -2.280 -9.007 -3.511) 9.932 17.647 ( -0.331 13.215 2.072) 13.380 17.767 ( 2.071 14.345 -3.731) 14.966 19.473 ( 0.768 0.149 21.476) 21.490 20.232 ( -0.655 -8.653 -12.599) 15.298 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.725 9.744 15.420) 18.322 1.670 ( 1.717 7.452 16.814) 18.472 1.925 ( 3.787 1.360 -17.811) 18.260 2.090 ( 6.685 6.253 -13.461) 16.278 2.597 ( -6.574 7.804 14.485) 17.718 3.005 ( -1.961 -10.473 8.316) 13.516 3.088 ( 0.383 -6.853 -8.041) 10.572 3.216 ( -7.472 1.501 6.989) 10.341 3.303 ( 3.528 -1.741 -11.914) 12.547 3.530 ( 1.547 1.339 -1.459) 2.513 3.694 ( -0.215 -3.880 7.882) 8.788 3.844 ( -3.137 -3.618 -9.491) 10.631 4.294 ( -2.246 0.658 1.937) 3.038 4.367 ( 1.674 0.269 3.089) 3.524 4.463 ( -6.133 -3.411 -3.881) 8.019 4.519 ( 2.017 -2.550 2.863) 4.332 4.986 ( -1.711 -1.550 -0.151) 2.314 5.007 ( 0.141 -2.356 1.757) 2.943 6.605 ( -5.431 -0.386 -1.219) 5.580 6.744 ( 0.869 -2.164 -0.340) 2.357 7.189 ( -2.960 -0.471 2.595) 3.965 7.375 ( 0.952 -1.659 -7.679) 7.913 8.086 ( -2.996 -6.098 -0.272) 6.800 8.254 ( 1.304 -7.689 0.208) 7.801 8.666 ( 1.021 -2.481 3.205) 4.180 8.822 ( 8.747 -3.990 0.197) 9.617 8.995 ( -3.086 0.072 0.060) 3.087 9.215 ( 3.760 -1.438 -0.100) 4.027 9.457 ( -3.602 2.012 2.019) 4.594 9.694 ( 5.895 0.362 5.453) 8.038 9.773 ( -0.987 -0.255 -0.721) 1.248 9.849 ( 3.420 1.653 -3.972) 5.496 10.128 ( -2.940 -1.061 1.604) 3.513 10.175 ( -3.156 -3.270 -3.682) 5.849 10.485 ( 3.263 5.089 -0.110) 6.046 10.502 ( -0.320 5.733 1.991) 6.078 10.568 ( -3.076 5.239 3.537) 7.030 10.860 ( 6.861 2.452 1.978) 7.550 11.400 ( -4.352 -6.325 -0.067) 7.678 11.419 ( -3.746 1.745 -0.747) 4.200 11.620 ( -0.253 3.737 4.027) 5.499 11.832 ( -2.297 -9.043 -6.996) 11.662 12.102 ( 6.887 4.421 4.312) 9.250 12.271 ( 6.421 -2.383 -3.640) 7.756 13.049 ( -2.164 11.152 2.088) 11.551 13.146 ( 0.919 6.374 0.346) 6.450 13.288 ( 1.435 0.244 4.565) 4.791 13.404 ( -1.717 -0.656 -9.641) 9.815 15.269 ( -1.805 9.981 13.115) 16.579 15.660 ( 1.518 4.832 -6.790) 8.471 15.927 ( 4.416 -3.920 10.820) 12.326 16.196 ( 0.438 -2.171 -15.474) 15.632 16.360 ( -6.853 -10.931 3.459) 13.357 16.490 ( -5.625 -8.419 -4.220) 10.969 16.935 ( 9.574 -7.789 -3.782) 12.909 17.015 ( 11.394 -8.892 0.619) 14.467 17.598 ( -6.352 15.126 0.345) 16.409 17.764 ( 1.071 13.809 -2.456) 14.067 19.694 ( -3.106 -2.944 19.377) 19.844 20.014 ( -5.570 -7.322 -15.272) 17.829 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 1.781 3.044 -2.812) 4.511 1.802 ( 6.351 1.735 -1.827) 6.832 1.855 ( 1.993 5.207 -0.912) 5.650 2.168 ( 9.275 7.296 4.110) 12.496 2.473 ( -11.833 -1.129 -1.609) 11.995 2.945 ( -9.647 -9.071 3.351) 13.659 3.123 ( -1.765 5.434 -6.414) 8.590 3.161 ( 2.323 -6.935 4.616) 8.648 3.285 ( 1.406 -3.285 -1.845) 4.021 3.478 ( -3.693 0.038 -0.923) 3.807 3.644 ( -5.089 -3.361 -8.451) 10.422 3.860 ( 0.032 -1.809 11.009) 11.157 4.283 ( -1.141 -0.441 0.189) 1.238 4.311 ( -4.092 -3.920 -3.566) 6.695 4.424 ( 2.043 0.432 0.895) 2.272 4.588 ( 1.813 1.364 3.332) 4.032 4.933 ( -2.730 -3.298 -1.494) 4.534 5.024 ( 0.175 -2.422 0.470) 2.474 6.502 ( -5.025 1.164 -0.712) 5.207 6.748 ( -0.777 -0.233 1.069) 1.342 7.124 ( -5.457 -1.732 -0.273) 5.732 7.330 ( 1.980 -1.139 -4.011) 4.616 8.095 ( 2.104 -8.179 0.941) 8.498 8.244 ( -3.313 -10.842 2.676) 11.649 8.737 ( 0.438 -1.187 4.213) 4.399 8.987 ( 3.925 -0.799 -1.636) 4.327 9.001 ( 9.894 0.276 2.384) 10.181 9.215 ( -2.820 -4.622 -0.873) 5.484 9.405 ( -2.620 1.773 -4.232) 5.284 9.671 ( -4.782 2.855 0.529) 5.594 9.881 ( 6.590 -1.447 -2.526) 7.204 9.895 ( 8.432 -0.889 -0.692) 8.507 10.076 ( -4.724 -1.068 -1.757) 5.152 10.095 ( -3.709 -1.656 2.492) 4.766 10.431 ( -4.848 7.063 3.244) 9.161 10.541 ( 5.507 5.907 -3.464) 8.788 10.680 ( 5.919 3.681 1.751) 7.186 11.006 ( 6.855 0.725 1.718) 7.104 11.245 ( -6.516 3.936 -6.103) 9.757 11.325 ( -4.340 -7.101 0.543) 8.340 11.587 ( -9.263 -10.261 -1.105) 13.868 11.838 ( 3.081 2.166 5.618) 6.763 12.268 ( 10.186 6.018 -1.150) 11.887 12.365 ( 8.086 2.382 -2.515) 8.797 13.022 ( -2.562 10.913 0.534) 11.223 13.184 ( 1.779 2.128 0.253) 2.785 13.269 ( -1.668 -1.303 -6.279) 6.626 13.350 ( -0.765 0.236 5.411) 5.470 15.372 ( -0.630 4.599 5.701) 7.352 15.636 ( 3.711 3.683 -2.766) 5.915 16.010 ( -0.461 -7.503 -3.222) 8.179 16.103 ( -0.589 -2.112 -3.542) 4.165 16.305 ( -0.198 -4.600 5.546) 7.208 16.455 ( -1.543 -4.082 5.813) 7.269 17.062 ( 11.176 -4.658 -6.685) 13.831 17.238 ( 7.558 -1.618 4.255) 8.823 17.505 ( -1.990 5.782 2.114) 6.469 17.726 ( -1.582 12.800 -3.433) 13.347 19.707 ( -8.209 -6.658 -16.404) 19.514 19.811 ( -7.378 -6.018 15.491) 18.183 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 2.612 -4.124 -14.194) 15.010 1.881 ( -1.908 8.286 4.360) 9.555 1.952 ( 13.157 1.330 -4.649) 14.017 2.285 ( -5.579 -3.226 -0.989) 6.520 2.415 ( 5.217 0.903 12.019) 13.133 2.814 ( -11.346 -8.052 6.532) 15.370 3.020 ( 0.225 9.102 -9.256) 12.983 3.117 ( -5.490 -6.505 -4.663) 9.705 3.307 ( -1.862 -2.771 1.108) 3.518 3.407 ( -6.411 -2.311 -2.196) 7.160 3.488 ( -2.091 -4.663 0.481) 5.133 3.848 ( -8.887 -6.171 0.371) 10.825 4.261 ( 0.959 -0.669 -0.501) 1.273 4.330 ( 3.425 -1.303 2.377) 4.368 4.450 ( 2.026 0.726 -2.106) 3.011 4.639 ( 1.532 4.876 0.003) 5.111 4.879 ( -1.787 -6.327 -0.803) 6.624 5.026 ( 0.434 -2.610 -0.704) 2.738 6.431 ( -2.867 2.503 -0.070) 3.807 6.725 ( -3.327 0.270 -0.335) 3.355 7.069 ( -0.662 -1.427 2.446) 2.908 7.336 ( 2.513 -0.152 -1.699) 3.037 8.099 ( -1.283 -8.168 -2.300) 8.582 8.265 ( 0.151 -10.140 5.364) 11.472 8.767 ( -2.011 -4.490 4.027) 6.358 9.033 ( 3.688 -0.078 -1.583) 4.014 9.108 ( -5.676 -5.066 -3.603) 8.418 9.219 ( 7.408 2.959 6.432) 10.247 9.301 ( -0.905 -0.101 -6.631) 6.693 9.581 ( -5.211 -0.170 -0.577) 5.245 9.906 ( -3.824 1.573 -1.791) 4.506 9.998 ( 6.101 0.729 -2.961) 6.820 10.042 ( -0.626 -3.267 3.425) 4.774 10.097 ( 4.433 -0.241 0.354) 4.453 10.458 ( 3.400 3.550 3.300) 5.921 10.579 ( 4.134 5.205 -3.873) 7.693 10.753 ( 3.259 3.164 -3.496) 5.732 10.980 ( -2.460 1.612 -9.556) 9.998 11.236 ( 3.174 3.472 6.143) 7.738 11.282 ( -2.433 -5.120 0.853) 5.733 11.414 ( -7.666 -11.383 -1.416) 13.797 11.912 ( -1.738 2.932 4.635) 5.753 12.414 ( 9.050 4.747 -5.189) 11.461 12.455 ( 7.090 8.679 -1.562) 11.315 12.995 ( -1.012 8.080 1.347) 8.254 13.140 ( -1.118 -2.048 -4.191) 4.797 13.268 ( 1.969 -0.559 0.014) 2.047 13.400 ( -1.923 -0.239 7.377) 7.627 15.382 ( 1.587 -1.688 -2.567) 3.458 15.723 ( 5.672 1.031 2.129) 6.145 15.919 ( -7.736 -15.524 0.034) 17.345 16.089 ( 5.871 4.921 -2.948) 8.208 16.429 ( -2.727 -1.091 13.952) 14.258 16.551 ( 7.039 4.645 3.265) 9.044 17.064 ( -2.574 7.411 -6.547) 10.219 17.300 ( 0.053 4.063 2.820) 4.946 17.619 ( -0.329 7.913 -2.658) 8.354 17.718 ( 11.857 -8.005 3.493) 14.726 19.381 ( -7.127 -7.329 -15.953) 18.948 19.807 ( -11.275 -8.862 10.716) 17.902 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 6.071 -9.553 -10.610) 15.514 1.819 ( -7.859 4.507 -0.932) 9.107 2.142 ( 14.915 2.322 -4.318) 15.700 2.258 ( 0.916 -1.452 2.908) 3.377 2.551 ( -5.219 -6.414 7.611) 11.238 2.795 ( 1.167 -4.855 5.896) 7.726 2.907 ( -8.064 -0.164 -1.424) 8.190 2.953 ( -4.584 5.207 -1.910) 7.195 3.145 ( -6.479 -1.521 -11.508) 13.294 3.362 ( -1.337 -1.279 5.977) 6.257 3.498 ( -2.070 -5.833 0.974) 6.266 3.714 ( -4.868 -7.933 0.707) 9.334 4.262 ( 1.090 -1.761 -2.065) 2.925 4.364 ( -0.549 -1.686 -3.470) 3.897 4.462 ( 2.857 2.093 -3.460) 4.952 4.665 ( 2.230 4.068 0.458) 4.661 4.837 ( -1.508 -7.458 -2.510) 8.012 5.025 ( 0.258 -2.404 -0.869) 2.569 6.400 ( -0.940 1.776 -0.032) 2.010 6.636 ( -4.550 -0.899 -2.272) 5.164 7.158 ( 3.322 1.163 7.024) 7.857 7.375 ( 3.748 1.642 -0.504) 4.123 8.038 ( -2.275 -6.555 -2.000) 7.221 8.318 ( 0.986 -5.234 0.699) 5.372 8.774 ( -4.561 -9.892 7.084) 12.994 8.973 ( -4.054 -5.303 -3.708) 7.635 9.084 ( 4.315 0.201 -2.400) 4.942 9.212 ( -0.895 0.292 -4.908) 4.997 9.297 ( -5.958 1.280 2.553) 6.607 9.592 ( 5.306 0.649 3.736) 6.522 9.812 ( -3.470 0.135 -2.051) 4.033 10.002 ( -1.873 -2.085 0.985) 2.970 10.087 ( 0.297 2.856 1.231) 3.124 10.199 ( 7.776 -0.317 -1.696) 7.965 10.561 ( 5.045 3.472 -4.234) 7.445 10.622 ( 4.653 -6.784 -0.003) 8.226 10.725 ( 1.705 6.249 -2.626) 6.989 10.861 ( -0.344 4.466 -7.277) 8.545 11.212 ( -8.667 -8.745 -0.303) 12.316 11.229 ( -3.513 -1.547 -2.074) 4.363 11.431 ( 4.959 0.338 3.982) 6.369 11.907 ( -3.524 0.739 2.612) 4.449 12.443 ( 5.950 7.605 -6.181) 11.465 12.586 ( 6.856 8.932 0.675) 11.280 13.023 ( -0.268 6.147 3.040) 6.863 13.094 ( 0.554 -3.486 -2.255) 4.189 13.288 ( 0.487 0.417 0.678) 0.933 13.445 ( -2.217 -2.327 5.391) 6.277 15.410 ( 5.767 -4.718 -2.610) 7.895 15.784 ( -7.205 -14.323 3.024) 16.316 15.867 ( 6.010 -1.963 1.328) 6.461 16.166 ( 2.190 0.301 1.185) 2.508 16.516 ( -3.458 10.929 9.756) 15.052 16.730 ( 9.259 7.874 1.623) 12.262 16.952 ( -3.416 5.795 2.275) 7.102 17.267 ( -8.096 12.815 0.894) 15.185 17.588 ( 5.462 -2.540 -6.170) 8.623 17.954 ( 7.389 -6.718 2.521) 10.300 19.148 ( 0.615 -10.675 -11.609) 15.783 19.685 ( -14.116 -11.107 5.413) 18.760 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 9.187 -12.203 -5.780) 16.332 1.637 ( -7.330 -1.891 -5.214) 9.192 2.286 ( 0.493 -0.818 1.760) 2.002 2.363 ( 8.027 4.297 0.094) 9.105 2.472 ( -4.735 -2.422 -0.964) 5.405 2.758 ( -8.078 -3.624 2.679) 9.250 2.813 ( -1.705 6.352 -0.212) 6.581 2.933 ( -0.789 3.501 -9.864) 10.496 3.051 ( 3.952 -6.915 11.298) 13.823 3.397 ( -1.542 -4.740 0.091) 4.985 3.488 ( 2.849 -1.450 1.615) 3.581 3.674 ( -4.772 -9.104 2.480) 10.573 4.246 ( -1.484 -2.217 -0.729) 2.765 4.303 ( 2.114 -1.564 -5.006) 5.655 4.440 ( 1.667 1.007 -6.217) 6.515 4.652 ( -3.645 -0.880 -4.988) 6.240 4.820 ( 2.215 -3.957 1.557) 4.794 5.006 ( -0.731 -2.054 -1.812) 2.835 6.397 ( 0.563 -0.348 0.332) 0.740 6.541 ( -2.895 -1.952 -3.006) 4.607 7.293 ( 0.626 3.809 8.404) 9.248 7.448 ( 5.035 3.365 -0.277) 6.062 7.987 ( -2.341 -4.392 0.305) 4.986 8.306 ( 0.990 -1.151 -5.352) 5.563 8.780 ( -6.040 -10.378 8.192) 14.536 8.916 ( 0.763 -6.033 0.198) 6.084 9.061 ( 1.260 3.214 -8.283) 8.973 9.181 ( -2.010 -3.591 0.047) 4.116 9.238 ( -1.255 -0.622 3.475) 3.747 9.670 ( 0.589 -4.953 -5.780) 7.634 9.805 ( 1.920 3.892 7.440) 8.614 9.994 ( -0.873 -1.574 1.774) 2.527 10.070 ( -1.505 3.396 -0.818) 3.804 10.295 ( 4.700 -0.070 -3.334) 5.763 10.557 ( 0.161 2.368 -0.932) 2.550 10.649 ( 4.460 -5.089 -3.043) 7.419 10.762 ( -1.118 5.722 -7.222) 9.282 10.846 ( 6.435 -1.514 3.645) 7.549 11.029 ( -8.179 -7.470 -4.780) 12.065 11.137 ( -3.355 0.815 -3.402) 4.847 11.550 ( 3.075 0.227 4.796) 5.702 11.853 ( -3.831 -2.087 -1.030) 4.483 12.516 ( 7.130 9.495 -0.843) 11.904 12.668 ( 1.719 11.443 -0.556) 11.585 13.022 ( -1.758 3.868 1.909) 4.658 13.098 ( 0.861 -0.868 -1.504) 1.938 13.328 ( 2.136 -1.096 3.293) 4.075 13.442 ( -3.180 -4.488 2.056) 5.872 15.513 ( 7.885 -6.697 -0.207) 10.348 15.693 ( -6.325 -11.974 1.565) 13.632 15.989 ( 2.148 -2.709 4.050) 5.325 16.146 ( -4.633 -1.315 1.023) 4.924 16.551 ( 0.978 14.261 2.839) 14.574 16.882 ( 6.494 6.100 1.100) 8.977 17.020 ( -3.302 12.345 3.883) 13.356 17.127 ( -4.430 9.656 8.310) 13.488 17.626 ( 6.741 -5.551 -6.602) 10.947 17.966 ( -3.029 -2.218 -5.595) 6.738 19.179 ( 12.392 -14.789 -2.883) 19.509 19.468 ( -15.336 -12.417 0.420) 19.737 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -6.872 -8.768 -4.803) 12.132 1.655 ( 15.506 -8.255 -5.203) 18.321 2.160 ( -14.339 7.582 2.387) 16.395 2.416 ( -0.127 0.600 4.977) 5.015 2.564 ( 11.464 3.784 -3.897) 12.685 2.659 ( -0.721 -4.274 -3.248) 5.417 2.813 ( -1.792 2.702 3.593) 4.839 2.894 ( 1.799 5.977 -3.663) 7.237 3.223 ( 2.794 -6.315 6.253) 9.316 3.381 ( 2.386 -4.637 -1.479) 5.420 3.539 ( -6.060 -8.785 -1.611) 10.793 3.626 ( 4.426 -3.914 3.540) 6.887 4.224 ( -1.110 -0.692 0.163) 1.318 4.324 ( 2.333 -2.033 -0.298) 3.109 4.403 ( 2.303 -1.579 -3.587) 4.546 4.481 ( -5.410 -4.462 -7.562) 10.313 4.894 ( 2.098 -1.387 2.750) 3.727 4.961 ( -1.124 -1.560 -2.752) 3.357 6.437 ( 3.014 -1.802 1.676) 3.891 6.473 ( -0.538 -2.781 -3.253) 4.313 7.342 ( -4.635 5.291 5.182) 8.737 7.515 ( 3.246 4.149 -1.130) 5.388 7.983 ( -1.028 -2.976 4.650) 5.615 8.242 ( 1.267 -0.257 -8.075) 8.177 8.752 ( -6.567 -6.266 6.031) 10.898 8.972 ( 3.096 -4.120 -1.368) 5.332 9.042 ( 5.279 -0.602 0.505) 5.337 9.150 ( 1.140 -4.509 -3.036) 5.554 9.288 ( -0.887 -3.897 6.240) 7.410 9.561 ( -2.075 -5.737 -8.329) 10.324 9.944 ( 0.753 3.740 6.741) 7.746 10.010 ( 0.728 0.552 3.657) 3.770 10.057 ( 2.096 0.961 -0.928) 2.486 10.240 ( -2.352 2.547 -7.463) 8.229 10.547 ( -1.814 1.373 -0.069) 2.276 10.624 ( -8.534 0.378 -0.911) 8.591 10.684 ( -3.450 -1.605 -3.087) 4.900 10.909 ( 7.627 -8.099 -2.188) 11.338 10.982 ( 1.260 -2.014 -1.141) 2.636 11.077 ( 3.921 3.870 -1.859) 5.815 11.660 ( 2.577 -1.535 6.333) 7.007 11.762 ( -3.448 -2.392 -4.015) 5.808 12.598 ( -4.521 12.856 -1.929) 13.764 12.626 ( 1.719 10.782 -0.196) 10.920 13.034 ( -0.172 2.505 2.135) 3.296 13.081 ( -0.512 2.144 -0.896) 2.380 13.397 ( -3.114 -4.744 0.064) 5.675 13.427 ( 4.639 -4.108 2.941) 6.859 15.570 ( -6.453 -6.578 -0.387) 9.223 15.669 ( 6.115 -9.153 0.794) 11.037 15.919 ( -12.452 1.114 4.601) 13.322 16.197 ( 7.322 -3.351 1.151) 8.134 16.626 ( 0.986 8.315 3.864) 9.222 16.798 ( -7.245 13.261 -5.422) 16.054 17.015 ( -2.658 3.817 7.452) 8.785 17.350 ( 9.850 11.496 9.494) 17.869 17.646 ( 2.747 -6.033 -4.080) 7.784 17.808 ( -2.119 -0.094 -9.663) 9.893 19.174 ( -15.909 -12.705 -2.553) 20.519 19.451 ( 17.644 -15.189 0.920) 23.299 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -7.916 -7.785 -4.584) 12.012 1.891 ( 15.343 -0.479 -3.982) 15.859 1.945 ( -13.167 12.656 4.346) 18.773 2.479 ( 2.411 -1.464 1.312) 3.111 2.651 ( 0.248 3.839 -0.938) 3.960 2.721 ( 2.420 -6.740 2.472) 7.576 2.816 ( 2.240 7.803 -3.636) 8.895 2.843 ( 2.088 0.330 0.352) 2.143 3.305 ( -3.190 -5.889 2.869) 7.287 3.356 ( 1.639 -6.431 -6.747) 9.464 3.469 ( 3.801 -5.265 1.754) 6.727 3.815 ( 9.098 -7.084 4.458) 12.362 4.175 ( -2.447 1.405 -2.045) 3.485 4.289 ( -4.492 -3.129 -3.393) 6.440 4.367 ( 2.793 -0.781 -2.216) 3.649 4.504 ( 3.826 -6.448 6.125) 9.682 4.874 ( -2.474 -1.472 -3.421) 4.470 4.974 ( 1.881 -0.747 1.669) 2.623 6.454 ( 2.454 -2.424 -2.803) 4.445 6.534 ( 5.282 -1.806 2.653) 6.181 7.264 ( -8.005 4.179 0.936) 9.079 7.524 ( 1.128 2.871 -3.298) 4.516 8.060 ( 1.276 -1.544 7.158) 7.434 8.182 ( 2.442 -1.198 -6.510) 7.055 8.722 ( -5.045 -3.980 6.566) 9.188 9.005 ( 2.900 -2.364 -1.127) 3.907 9.125 ( 2.476 -7.508 -5.427) 9.589 9.192 ( 5.622 -5.281 2.866) 8.228 9.336 ( -1.979 -5.735 4.974) 7.845 9.449 ( -0.554 -2.479 -3.949) 4.695 9.942 ( -1.354 2.548 -0.824) 3.001 10.062 ( -7.664 3.613 -3.841) 9.303 10.093 ( 2.383 1.687 0.958) 3.073 10.159 ( 4.423 2.138 3.260) 5.896 10.400 ( -13.050 -6.197 -0.726) 14.465 10.495 ( -2.827 1.156 -0.960) 3.201 10.637 ( 0.203 5.223 -0.687) 5.272 10.863 ( -5.331 3.194 -2.752) 6.797 11.151 ( 13.375 -8.727 1.471) 16.038 11.179 ( 6.360 2.322 0.253) 6.776 11.639 ( -4.036 -1.190 -5.810) 7.173 11.788 ( 2.774 -2.168 7.456) 8.245 12.426 ( -8.306 14.702 -4.071) 17.370 12.630 ( -3.175 6.047 0.067) 6.830 13.030 ( -2.750 0.800 0.777) 2.967 13.086 ( 1.729 3.619 0.109) 4.013 13.348 ( -2.321 -1.964 -0.733) 3.128 13.535 ( 5.005 -4.450 1.078) 6.783 15.417 ( -8.346 -0.077 -2.359) 8.674 15.717 ( -9.434 -5.136 6.050) 12.328 15.830 ( 1.596 -5.968 1.134) 6.281 16.312 ( 3.348 -1.979 -2.797) 4.791 16.560 ( -4.250 12.157 1.968) 13.028 16.789 ( 2.645 4.094 3.422) 5.956 17.001 ( -4.917 -1.048 1.457) 5.234 17.527 ( 3.680 5.448 -5.360) 8.482 17.634 ( 2.219 6.367 -1.741) 6.964 17.792 ( 6.187 -2.883 2.959) 7.440 18.875 ( -14.417 -10.260 -2.713) 17.902 19.774 ( 18.169 -14.451 1.110) 23.242 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -8.044 1.038 0.612) 8.134 1.714 ( -16.520 15.038 4.580) 22.804 2.140 ( 15.498 2.994 -7.314) 17.397 2.442 ( -2.082 1.623 -7.408) 7.864 2.488 ( -19.064 3.938 6.099) 20.400 2.756 ( 4.013 2.148 10.176) 11.148 2.947 ( 1.723 -1.086 1.104) 2.316 2.983 ( 10.424 -2.049 -2.171) 10.843 3.184 ( 3.914 -8.041 -6.227) 10.897 3.459 ( 5.135 -6.004 2.139) 8.185 3.588 ( 8.866 -6.671 1.478) 11.193 3.929 ( 4.169 -9.779 -6.313) 12.363 4.151 ( -1.385 0.200 1.966) 2.413 4.259 ( 2.830 0.500 4.616) 5.438 4.391 ( 1.223 -1.795 -0.168) 2.179 4.618 ( 0.157 -1.550 3.920) 4.219 4.802 ( -0.427 -3.350 -1.786) 3.820 5.009 ( 0.508 -1.552 0.615) 1.745 6.489 ( 5.333 -0.959 -2.563) 5.994 6.661 ( 5.508 -0.505 2.590) 6.108 7.133 ( -6.273 1.559 -0.985) 6.538 7.492 ( 1.423 -0.372 -5.170) 5.376 8.130 ( 3.018 -2.670 -2.151) 4.568 8.221 ( 3.425 -1.589 4.619) 5.966 8.738 ( -3.463 -1.957 7.941) 8.881 8.985 ( -4.454 -6.701 -2.859) 8.539 9.115 ( 5.148 -8.368 -4.530) 10.818 9.211 ( -2.908 -6.307 -0.248) 6.950 9.410 ( 5.522 -2.158 1.891) 6.223 9.448 ( -3.069 -2.931 3.553) 5.534 9.817 ( -11.859 6.058 -2.755) 13.598 9.936 ( 0.136 2.258 -0.532) 2.324 10.136 ( -1.380 0.213 -2.004) 2.443 10.218 ( -0.953 0.710 0.480) 1.282 10.281 ( -0.362 -2.182 5.872) 6.275 10.457 ( -0.965 2.505 -0.041) 2.685 10.643 ( -1.228 5.138 1.278) 5.435 10.756 ( -2.811 6.871 -1.852) 7.651 11.255 ( 0.755 3.255 0.281) 3.353 11.356 ( 8.195 -8.871 1.279) 12.145 11.523 ( 0.630 -1.439 -6.118) 6.316 11.921 ( 2.478 -1.475 7.726) 8.247 12.265 ( -5.094 14.549 -3.533) 15.815 12.533 ( -6.600 2.888 -1.868) 7.443 12.980 ( -3.748 -2.662 1.305) 4.779 13.120 ( 2.165 6.405 -0.741) 6.802 13.292 ( -3.069 -0.057 -1.118) 3.266 13.611 ( 4.167 -3.351 -1.385) 5.524 15.267 ( -7.817 4.204 0.838) 8.915 15.592 ( -10.912 -0.599 4.845) 11.954 15.891 ( 1.570 -12.837 1.705) 13.045 16.222 ( -3.589 6.669 -4.804) 8.969 16.639 ( 5.045 2.648 2.297) 6.143 16.855 ( 0.667 -0.324 0.745) 1.051 16.925 ( -1.763 -2.146 -0.868) 2.910 17.469 ( -1.138 0.978 -4.792) 5.022 17.647 ( 3.813 8.391 -5.388) 10.676 17.902 ( 0.024 -3.034 -1.182) 3.256 18.714 ( -5.112 -2.518 7.907) 9.746 20.063 ( 15.725 -13.196 -1.194) 20.563 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -5.181 10.100 8.524) 14.196 1.493 ( -15.643 15.024 5.124) 22.287 2.144 ( -3.709 3.654 -4.665) 6.991 2.236 ( -15.498 11.181 11.249) 22.175 2.521 ( 9.290 2.225 -0.209) 9.555 2.785 ( -5.323 -0.418 -11.500) 12.679 2.987 ( 6.341 -2.710 9.192) 11.491 3.124 ( 2.859 -0.982 7.277) 7.880 3.299 ( 12.706 -6.854 -7.607) 16.319 3.543 ( 5.064 -5.599 -1.131) 7.634 3.723 ( 3.656 -11.191 -6.288) 13.347 3.941 ( 7.179 -8.475 0.890) 11.143 4.164 ( -0.181 -0.882 3.525) 3.638 4.397 ( 1.231 0.629 2.152) 2.557 4.404 ( 2.489 -0.825 1.230) 2.896 4.572 ( -3.650 4.075 -1.046) 5.570 4.854 ( 3.212 -5.758 3.311) 7.378 5.003 ( -1.095 -2.689 -0.483) 2.944 6.567 ( 7.414 -0.050 -2.845) 7.942 6.747 ( 1.089 2.038 1.475) 2.741 7.073 ( 0.780 -1.805 -0.327) 1.994 7.462 ( 3.148 -3.505 -6.216) 7.800 8.160 ( 3.717 -5.299 -2.576) 6.966 8.319 ( 1.867 -3.701 2.304) 4.743 8.769 ( -4.150 -0.535 7.452) 8.547 8.854 ( -4.445 -5.623 -2.759) 7.680 9.122 ( -5.295 -6.476 -0.037) 8.365 9.202 ( 1.547 -4.585 -0.285) 4.848 9.307 ( -4.520 3.487 -4.375) 7.193 9.558 ( 3.612 -5.776 6.019) 9.090 9.660 ( -9.834 2.984 5.991) 11.896 9.896 ( -5.262 -1.679 -1.938) 5.853 10.077 ( 1.865 1.428 -0.767) 2.471 10.253 ( 2.815 3.830 -1.232) 4.910 10.381 ( 3.649 -1.545 4.047) 5.664 10.456 ( -0.702 3.736 3.149) 4.936 10.595 ( -3.521 7.509 -0.908) 8.343 10.746 ( -0.113 7.479 1.987) 7.739 11.203 ( -5.037 4.494 0.382) 6.761 11.476 ( 4.824 -8.231 1.240) 9.621 11.527 ( 5.563 -7.049 -4.444) 10.020 12.049 ( 2.289 -1.523 6.879) 7.409 12.161 ( -2.575 14.501 -4.631) 15.439 12.372 ( -8.196 4.637 -4.038) 10.246 12.962 ( -1.280 -3.728 3.526) 5.289 13.124 ( 0.194 7.380 -2.094) 7.674 13.237 ( -2.011 0.472 -0.222) 2.078 13.639 ( 2.881 -1.951 -4.227) 5.475 15.180 ( -8.191 8.422 6.875) 13.612 15.500 ( -4.438 -2.014 2.997) 5.722 15.889 ( -5.183 -7.806 3.029) 9.848 16.170 ( 3.816 1.239 -3.890) 5.588 16.694 ( 3.802 -1.241 -5.578) 6.864 16.801 ( -3.292 -7.495 -1.125) 8.263 16.956 ( 3.503 1.073 -3.357) 4.969 17.375 ( -5.941 -1.590 -3.343) 6.999 17.613 ( -3.736 5.718 -1.455) 6.983 17.803 ( 2.241 2.289 -10.425) 10.906 18.881 ( 3.270 3.237 18.886) 19.438 20.258 ( 11.200 -11.751 -4.817) 16.933 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -2.297 13.260 14.354) 19.676 1.365 ( -10.182 14.925 12.686) 22.076 2.062 ( 0.719 3.156 -4.938) 5.904 2.203 ( -11.008 16.050 22.400) 29.673 2.503 ( -4.909 -0.654 -14.766) 15.575 2.716 ( 9.311 1.322 0.058) 9.404 3.176 ( 3.581 -3.631 5.503) 7.503 3.245 ( 0.724 -1.459 9.964) 10.096 3.374 ( 6.265 -4.655 -7.439) 10.782 3.584 ( 0.609 -11.559 -10.627) 15.714 3.628 ( 3.289 -5.824 -4.815) 8.241 4.092 ( 3.573 -6.170 0.931) 7.190 4.230 ( 1.786 -1.224 5.240) 5.669 4.340 ( -2.972 4.595 -4.829) 7.298 4.417 ( 0.365 -4.283 -0.255) 4.306 4.590 ( 0.352 2.903 3.667) 4.690 4.936 ( 2.421 -4.881 1.368) 5.618 4.980 ( -1.225 -2.685 1.377) 3.256 6.656 ( 6.619 -1.095 -3.134) 7.405 6.746 ( -1.586 2.073 0.534) 2.664 7.123 ( 3.017 -1.989 1.184) 3.803 7.454 ( 4.653 -4.871 -6.948) 9.678 8.177 ( 2.615 -6.265 -3.488) 7.632 8.321 ( -1.908 -5.690 -1.677) 6.231 8.745 ( -8.045 -2.145 4.240) 9.343 8.778 ( -4.121 -2.487 -1.147) 4.947 8.995 ( 0.060 0.216 -1.090) 1.113 9.189 ( -4.335 -1.528 0.924) 4.688 9.323 ( 3.205 1.798 4.548) 5.847 9.586 ( -6.910 1.977 5.671) 9.155 9.679 ( 0.115 -8.518 8.211) 11.832 9.806 ( 1.234 -0.677 -3.921) 4.166 10.123 ( 1.835 1.252 0.795) 2.360 10.297 ( 4.282 1.678 -0.906) 4.688 10.393 ( -0.819 1.626 -4.096) 4.483 10.504 ( -4.672 3.662 4.245) 7.298 10.583 ( 3.929 9.061 3.421) 10.452 10.760 ( -2.538 5.550 3.228) 6.904 11.162 ( -0.644 4.016 3.079) 5.101 11.513 ( 1.566 -5.986 -1.853) 6.459 11.624 ( 5.358 -11.216 2.375) 12.655 12.050 ( -2.216 12.209 -7.610) 14.556 12.100 ( -4.482 -8.405 -0.877) 9.566 12.222 ( -1.769 10.649 -0.475) 10.806 13.013 ( -0.300 -0.588 5.909) 5.946 13.103 ( 1.138 6.616 -1.488) 6.876 13.213 ( -0.920 2.688 -0.349) 2.862 13.610 ( 1.459 -0.848 -6.937) 7.140 15.144 ( -8.740 11.795 11.720) 18.785 15.533 ( 4.044 -3.933 3.260) 6.516 15.816 ( -6.004 -0.758 1.913) 6.347 16.227 ( 4.909 -6.013 -0.788) 7.802 16.649 ( 5.309 -3.194 -14.710) 15.962 16.766 ( -1.928 -9.568 2.130) 9.990 16.889 ( -0.492 -3.122 -11.499) 11.925 17.142 ( -14.482 -6.799 -3.531) 16.384 17.594 ( 2.333 8.115 1.132) 8.519 17.776 ( 3.666 12.435 -5.673) 14.151 19.183 ( 3.419 2.682 21.616) 22.049 20.318 ( 5.360 -10.199 -8.891) 14.554 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 1.394 17.438 8.701) 19.538 1.729 ( -0.421 13.864 12.426) 18.622 2.080 ( 5.057 3.519 -9.253) 11.116 2.300 ( -2.980 4.472 -12.894) 13.969 2.556 ( 1.354 -1.929 12.086) 12.313 2.877 ( -1.627 5.323 8.887) 10.486 2.985 ( -4.956 -15.870 -9.038) 18.923 3.225 ( -0.034 -0.192 -1.458) 1.471 3.302 ( -0.370 -6.211 0.818) 6.275 3.471 ( 3.374 4.063 9.975) 11.287 3.532 ( 3.845 -7.532 -4.768) 9.708 3.972 ( -1.996 -3.726 -4.701) 6.322 4.288 ( -0.477 -0.412 3.112) 3.175 4.340 ( 3.290 -3.919 1.564) 5.351 4.374 ( -1.715 3.243 1.051) 3.816 4.562 ( -5.241 -1.489 -3.845) 6.669 4.929 ( 1.475 -1.025 3.354) 3.804 4.967 ( 0.220 -1.354 1.915) 2.356 6.663 ( 1.885 -1.855 -2.126) 3.393 6.690 ( -2.598 -1.930 -2.989) 4.405 7.182 ( 1.115 1.258 2.582) 3.081 7.365 ( 3.337 -4.029 -4.568) 6.946 8.097 ( 2.266 -4.867 -1.758) 5.649 8.109 ( -5.768 -5.045 -2.436) 8.041 8.597 ( -3.199 -2.568 1.120) 4.252 8.644 ( -0.277 -4.010 -0.868) 4.112 9.069 ( -3.690 1.526 1.999) 4.465 9.144 ( 3.884 0.758 -0.498) 3.988 9.479 ( 2.300 -1.109 5.091) 5.696 9.550 ( -0.081 -1.884 2.840) 3.409 9.685 ( 1.168 0.249 8.018) 8.106 9.840 ( 3.057 0.008 2.270) 3.808 10.143 ( -1.192 0.164 -1.197) 1.697 10.240 ( -1.311 -2.628 -7.192) 7.769 10.481 ( 1.135 4.772 3.484) 6.017 10.559 ( -0.216 2.787 2.302) 3.621 10.796 ( -6.200 6.546 1.068) 9.079 10.834 ( 3.522 5.017 -1.954) 6.434 11.335 ( 5.409 0.395 6.804) 8.700 11.413 ( -2.792 -2.371 -1.757) 4.062 11.551 ( 6.626 -4.566 0.540) 8.065 11.845 ( -4.883 -8.288 0.186) 9.621 12.107 ( -2.376 8.027 -6.596) 10.657 12.279 ( -2.330 2.154 -5.953) 6.746 13.135 ( 1.859 2.828 7.952) 8.642 13.196 ( 2.458 -0.034 4.108) 4.787 13.334 ( -0.192 8.623 -2.289) 8.924 13.528 ( -0.308 0.143 -7.556) 7.564 15.397 ( -3.794 10.169 9.410) 14.365 15.631 ( 6.565 -3.207 7.976) 10.817 15.824 ( -3.106 6.570 4.958) 8.797 16.161 ( -0.725 -3.853 -0.567) 3.961 16.422 ( 1.700 -4.120 -21.025) 21.492 16.507 ( -5.932 -9.460 0.272) 11.170 16.685 ( 4.713 -6.910 -9.794) 12.879 16.748 ( -4.146 -9.407 -4.389) 11.178 17.879 ( 2.048 10.573 5.093) 11.914 18.007 ( 1.063 9.302 -0.491) 9.375 19.505 ( 0.713 3.603 14.289) 14.754 20.038 ( -0.828 -10.975 -9.000) 14.218 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.287 11.664 8.373) 14.416 1.850 ( -3.376 10.424 7.973) 13.551 1.990 ( 3.456 4.792 -12.138) 13.500 2.230 ( 7.899 7.693 -7.658) 13.425 2.625 ( -9.040 -7.809 1.250) 12.011 2.833 ( -0.807 -10.893 0.671) 10.944 2.917 ( -4.225 -1.234 6.785) 8.087 3.212 ( -5.588 -1.217 5.267) 7.774 3.281 ( 2.802 -2.994 -5.738) 7.053 3.506 ( 0.030 -6.055 -4.814) 7.735 3.670 ( 2.816 3.525 13.667) 14.392 3.810 ( -4.473 0.757 -10.514) 11.451 4.301 ( -0.853 -0.275 1.111) 1.428 4.384 ( -1.089 0.640 0.469) 1.347 4.409 ( -4.371 -1.701 -1.049) 4.806 4.452 ( 3.489 -3.403 3.405) 5.946 4.960 ( -2.069 -0.849 -0.462) 2.283 4.974 ( 0.072 -1.008 2.043) 2.279 6.597 ( -3.423 -0.395 -1.890) 3.930 6.691 ( 1.639 -3.188 0.074) 3.585 7.195 ( -2.521 1.118 1.201) 3.008 7.337 ( 0.823 -2.377 -5.954) 6.463 7.970 ( -5.841 -5.074 -0.041) 7.737 8.095 ( -3.053 -8.076 0.727) 8.664 8.634 ( 4.698 -0.630 2.711) 5.460 8.745 ( 10.797 -3.754 0.716) 11.453 8.997 ( -4.483 0.499 1.057) 4.632 9.177 ( -1.659 -2.708 -0.235) 3.184 9.493 ( 1.179 1.812 -0.703) 2.273 9.688 ( 7.022 -1.836 2.198) 7.583 9.770 ( -1.607 1.718 5.641) 6.111 9.893 ( 1.770 1.886 -2.149) 3.363 10.099 ( -2.142 -1.363 -0.605) 2.610 10.125 ( -2.029 -2.089 -4.627) 5.467 10.534 ( -0.054 2.190 2.930) 3.658 10.594 ( -0.496 3.312 3.425) 4.790 10.723 ( -0.039 7.849 -1.177) 7.937 10.901 ( 4.920 1.397 1.150) 5.242 11.299 ( -6.465 -3.515 -2.794) 7.872 11.438 ( 0.855 -1.478 -1.538) 2.298 11.617 ( -7.563 -2.159 -0.878) 7.915 11.739 ( 2.096 -0.439 2.017) 2.942 12.184 ( 9.876 3.365 3.745) 11.086 12.240 ( 6.437 -0.788 -4.019) 7.630 13.227 ( -0.733 6.024 2.081) 6.415 13.235 ( -0.599 2.645 2.418) 3.633 13.324 ( -0.100 3.685 2.270) 4.329 13.403 ( -2.945 0.780 -9.204) 9.695 15.451 ( -3.167 8.159 8.576) 12.254 15.787 ( -2.759 7.715 -2.386) 8.534 15.826 ( 3.691 -5.743 6.340) 9.316 16.126 ( -2.810 -5.534 -2.231) 6.595 16.235 ( -0.665 -0.890 -6.072) 6.172 16.383 ( -1.265 -2.246 -2.908) 3.886 16.754 ( 10.071 -10.230 -4.450) 15.030 16.802 ( 11.731 -12.524 0.319) 17.163 17.882 ( -5.877 13.249 0.175) 14.495 18.004 ( -0.098 10.100 -0.848) 10.136 19.642 ( -4.116 -2.004 13.745) 14.487 19.858 ( -6.448 -8.254 -10.897) 15.114 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.962 6.773 -8.171) 10.793 1.847 ( 2.337 3.795 1.648) 4.752 1.980 ( 1.580 4.766 -0.544) 5.051 2.344 ( 7.243 10.222 2.075) 12.699 2.399 ( -11.304 -7.756 -2.485) 13.932 2.797 ( -9.589 -3.323 5.019) 11.321 2.971 ( 0.099 -9.334 6.178) 11.194 3.154 ( -5.985 -2.939 1.725) 6.887 3.268 ( 3.019 -1.995 -5.107) 6.259 3.440 ( -1.915 -5.194 -2.919) 6.258 3.598 ( -6.041 1.201 -9.813) 11.586 3.818 ( -3.541 -2.448 7.305) 8.479 4.272 ( -1.526 0.799 -0.544) 1.806 4.304 ( -0.750 2.263 -0.086) 2.386 4.436 ( 2.397 0.457 -0.401) 2.473 4.576 ( 3.525 -2.765 6.151) 7.610 4.892 ( -3.419 -0.438 -2.748) 4.408 4.982 ( -0.180 -1.861 -0.063) 1.870 6.533 ( -2.705 1.911 -0.371) 3.332 6.719 ( 0.028 -2.862 1.652) 3.305 7.120 ( -4.662 1.456 -1.727) 5.181 7.296 ( 1.695 -2.304 -3.583) 4.584 7.941 ( 0.151 -6.847 2.333) 7.235 8.042 ( -5.080 -9.502 3.595) 11.359 8.738 ( 0.190 1.598 3.646) 3.985 8.954 ( 9.798 -1.813 -0.049) 9.964 9.005 ( 6.870 -0.720 1.416) 7.051 9.105 ( -4.914 -6.272 -0.499) 7.984 9.458 ( -1.872 3.593 -6.379) 7.557 9.685 ( -6.811 -1.623 -1.221) 7.108 9.848 ( 6.642 -0.082 0.758) 6.686 9.913 ( 7.012 1.086 -3.682) 7.993 10.061 ( -3.212 -0.278 0.232) 3.233 10.075 ( -2.256 -0.578 1.261) 2.648 10.530 ( -3.001 3.462 2.797) 5.367 10.650 ( 3.481 4.989 1.333) 6.228 10.754 ( 3.831 3.246 -2.193) 5.479 11.008 ( 3.896 -1.032 2.352) 4.667 11.171 ( -4.709 -5.180 -1.759) 7.218 11.371 ( -8.234 -10.252 -3.950) 13.729 11.401 ( -3.104 9.307 -3.383) 10.378 11.866 ( 1.200 -1.484 6.028) 6.323 12.348 ( 12.314 4.376 -0.648) 13.085 12.455 ( 11.614 4.503 3.229) 12.868 13.170 ( -2.656 3.260 -1.458) 4.450 13.218 ( -4.756 0.264 -9.545) 10.668 13.269 ( -0.602 3.134 0.996) 3.343 13.359 ( -1.720 0.604 5.404) 5.703 15.444 ( -4.070 2.868 -0.094) 4.980 15.729 ( 0.912 5.407 -2.192) 5.905 15.803 ( -8.517 -10.319 0.447) 13.387 16.094 ( 1.047 -2.863 -1.469) 3.384 16.292 ( 4.094 5.413 9.637) 11.787 16.453 ( 8.096 3.119 2.337) 8.985 16.906 ( 14.166 -9.912 -5.343) 18.096 17.073 ( 15.667 -12.587 4.968) 20.703 17.723 ( -10.176 13.313 -2.694) 16.972 17.956 ( -3.969 9.346 -2.251) 10.400 19.580 ( -10.260 -5.682 -11.526) 16.444 19.682 ( -8.721 -6.893 11.075) 15.691 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -2.998 4.970 -12.886) 14.133 1.949 ( 7.410 0.460 1.802) 7.640 1.998 ( -1.339 0.807 0.361) 1.605 2.215 ( -6.061 -5.096 -0.042) 7.919 2.497 ( 1.389 7.016 6.481) 9.652 2.686 ( -9.776 -2.395 7.341) 12.458 2.990 ( -3.439 -6.842 -0.085) 7.659 3.054 ( -6.285 -4.355 0.709) 7.679 3.271 ( 0.679 -3.509 -0.567) 3.619 3.367 ( -5.941 -5.122 -6.433) 10.145 3.408 ( -1.141 1.901 -3.048) 3.769 3.713 ( -8.885 -6.987 -1.916) 11.465 4.271 ( 1.206 1.965 -2.846) 3.662 4.337 ( 1.270 2.134 3.225) 4.071 4.465 ( 3.165 0.501 -2.143) 3.854 4.690 ( 2.454 -1.816 3.489) 4.636 4.797 ( -2.719 0.194 -3.807) 4.683 4.975 ( 0.368 -2.680 -1.161) 2.944 6.491 ( -2.047 3.516 -0.314) 4.080 6.701 ( -3.429 -2.626 -0.848) 4.402 7.081 ( 0.872 2.451 2.873) 3.876 7.312 ( 3.274 -2.361 -0.837) 4.122 7.956 ( -1.309 -6.022 0.516) 6.185 8.070 ( 0.621 -9.259 8.096) 12.315 8.718 ( -4.721 -0.313 1.364) 4.924 8.986 ( -6.014 -6.459 -1.184) 8.905 9.045 ( 4.574 0.841 -3.451) 5.791 9.218 ( 9.593 -2.200 -0.740) 9.870 9.351 ( -0.160 3.820 -3.591) 5.245 9.537 ( -6.133 -3.595 -2.359) 7.490 9.934 ( -4.604 0.821 -0.426) 4.696 9.988 ( 0.808 -1.887 4.984) 5.390 10.021 ( 5.826 1.611 -2.982) 6.740 10.097 ( 5.550 -0.022 -0.642) 5.587 10.515 ( -1.489 3.033 0.412) 3.404 10.683 ( 0.988 5.190 -3.565) 6.374 10.784 ( 3.817 -0.571 -2.737) 4.731 11.007 ( -1.958 -0.038 -3.878) 4.344 11.122 ( -3.948 -6.688 3.100) 8.362 11.241 ( -2.846 -5.852 -0.607) 6.535 11.396 ( 3.045 9.529 1.482) 10.113 11.903 ( -2.439 -3.805 3.164) 5.517 12.554 ( 9.843 9.016 -1.562) 13.439 12.623 ( 7.868 8.038 0.100) 11.248 13.035 ( -3.103 -2.537 -7.076) 8.132 13.154 ( 0.182 0.243 1.073) 1.116 13.252 ( -1.310 0.854 0.018) 1.564 13.389 ( -2.576 -0.961 5.522) 6.169 15.364 ( -0.985 -0.096 -3.674) 3.805 15.654 ( -8.145 -11.087 0.348) 13.762 15.768 ( 1.866 3.638 3.103) 5.133 16.103 ( -0.940 -3.660 2.420) 4.488 16.521 ( 7.128 10.354 11.829) 17.261 16.663 ( 12.612 6.786 2.546) 14.546 17.071 ( 12.598 -6.061 -7.685) 15.953 17.372 ( 6.917 -1.723 2.862) 7.682 17.555 ( -1.654 -0.238 2.877) 3.327 17.820 ( -7.396 7.637 -4.148) 11.412 19.258 ( -11.101 -4.165 -11.845) 16.759 19.611 ( -12.573 -10.903 7.464) 18.239 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.415 0.669 -11.528) 11.555 1.846 ( -11.399 -3.207 -4.696) 12.738 2.149 ( 8.236 -0.961 2.758) 8.739 2.239 ( 6.828 -2.337 5.216) 8.905 2.475 ( -8.647 1.126 4.153) 9.659 2.724 ( 0.780 -0.664 8.859) 8.918 2.866 ( -9.500 -1.781 0.287) 9.670 2.970 ( -5.162 -6.962 0.082) 8.668 3.161 ( -6.179 2.431 -7.139) 9.750 3.283 ( -1.292 -5.934 3.337) 6.930 3.419 ( 2.566 -1.874 -1.061) 3.350 3.577 ( -4.072 -5.916 -1.171) 7.276 4.250 ( 1.238 0.634 -3.998) 4.233 4.343 ( -1.007 0.101 -2.602) 2.792 4.478 ( 2.188 -0.064 -5.038) 5.493 4.701 ( -1.879 -5.478 -3.048) 6.544 4.757 ( 1.707 4.161 -0.294) 4.507 4.972 ( 0.356 -2.955 -0.690) 3.055 6.449 ( -1.602 3.069 -1.673) 3.845 6.606 ( -4.284 -1.979 -2.817) 5.496 7.200 ( 4.429 2.899 7.771) 9.402 7.386 ( 4.597 -0.768 1.967) 5.059 7.945 ( -1.279 -2.625 1.802) 3.431 8.192 ( 2.446 -7.599 7.019) 10.630 8.638 ( -5.755 -3.270 0.981) 6.692 8.859 ( -4.128 -6.277 -3.880) 8.455 9.085 ( 3.518 0.534 -0.881) 3.666 9.206 ( 0.616 -0.307 -8.877) 8.903 9.329 ( -5.081 1.051 -0.293) 5.197 9.532 ( 5.202 -5.982 -0.579) 7.949 9.840 ( -4.839 2.631 2.115) 5.900 9.975 ( -2.955 -0.820 2.713) 4.094 10.140 ( 5.885 2.097 -0.550) 6.271 10.206 ( 6.124 0.587 -0.622) 6.183 10.480 ( 0.011 -3.760 -3.019) 4.822 10.648 ( 2.176 2.831 -4.758) 5.949 10.806 ( 1.123 0.858 -2.519) 2.888 10.935 ( -1.340 0.916 -2.125) 2.674 11.056 ( -5.596 -3.663 -0.785) 6.734 11.200 ( -2.349 -1.640 -0.607) 2.929 11.499 ( 4.438 6.009 3.165) 8.113 11.874 ( -3.874 -3.588 1.306) 5.440 12.606 ( 4.141 8.225 -3.066) 9.706 12.769 ( 7.573 9.527 -1.013) 12.213 12.989 ( 3.164 -4.864 -0.630) 5.836 13.148 ( -3.475 4.335 1.070) 5.658 13.266 ( 1.706 -2.561 1.724) 3.527 13.390 ( -3.580 -3.283 3.207) 5.820 15.351 ( 2.865 -1.471 -1.303) 3.474 15.549 ( -6.715 -9.396 3.227) 11.991 15.855 ( 3.244 0.843 4.024) 5.237 16.110 ( -2.739 -4.828 3.955) 6.816 16.772 ( 6.308 12.577 9.429) 16.937 16.914 ( 13.135 12.142 0.619) 17.898 17.068 ( 0.624 4.882 -7.751) 9.182 17.377 ( 0.534 1.016 1.774) 2.113 17.612 ( -7.520 1.911 -5.526) 9.526 17.803 ( 9.880 -8.227 7.337) 14.803 18.967 ( -6.283 -6.179 -10.647) 13.821 19.439 ( -14.817 -13.843 2.886) 20.482 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 9.088 -4.906 -8.141) 13.151 1.558 ( -11.039 -6.383 -9.286) 15.774 2.288 ( 3.498 0.453 5.403) 6.452 2.380 ( -7.532 -2.295 5.628) 9.679 2.487 ( 12.721 4.028 1.945) 13.484 2.696 ( -12.116 -1.173 2.154) 12.361 2.823 ( 0.181 -3.833 3.987) 5.534 2.924 ( -0.028 -4.230 1.584) 4.517 3.049 ( -0.184 4.205 -0.035) 4.209 3.284 ( -0.936 -6.409 -0.793) 6.525 3.448 ( 0.882 -2.715 -0.124) 2.857 3.541 ( -1.137 -4.229 1.794) 4.732 4.223 ( -0.542 -0.133 -1.839) 1.922 4.271 ( -0.227 -0.840 -5.447) 5.516 4.430 ( 1.599 -1.743 -7.669) 8.025 4.586 ( -3.709 -4.831 -8.252) 10.257 4.811 ( 2.371 2.041 2.582) 4.057 4.960 ( -0.637 -2.526 -1.126) 2.838 6.410 ( -0.189 1.621 -1.551) 2.251 6.508 ( -2.850 -1.397 -3.404) 4.654 7.363 ( 2.150 3.332 8.924) 9.766 7.493 ( 4.236 0.751 2.596) 5.024 7.953 ( -2.020 1.219 4.262) 4.872 8.283 ( 1.426 -2.127 1.226) 2.839 8.574 ( -4.715 -8.232 4.392) 10.454 8.797 ( 1.172 -6.778 -1.727) 7.092 9.094 ( 0.493 0.524 -9.372) 9.399 9.125 ( -0.310 -1.543 -0.307) 1.604 9.246 ( -3.064 1.002 0.215) 3.231 9.534 ( 1.355 -8.385 -7.333) 11.221 9.876 ( 1.527 3.319 7.377) 8.232 9.978 ( -0.473 -0.387 3.028) 3.089 10.157 ( -1.930 5.450 -2.036) 6.129 10.289 ( 5.130 -0.158 -1.325) 5.301 10.473 ( 1.019 -6.412 -0.358) 6.503 10.659 ( 5.320 -0.701 -4.807) 7.204 10.717 ( -5.930 -2.891 -4.034) 7.733 10.919 ( -4.738 -1.572 -5.887) 7.719 10.955 ( 2.317 4.929 1.884) 5.763 11.141 ( -2.035 -0.744 -2.488) 3.299 11.596 ( 2.377 4.223 3.558) 6.012 11.809 ( -3.916 -2.176 -0.749) 4.543 12.685 ( 6.017 7.552 1.497) 9.771 12.856 ( 4.245 6.865 -1.345) 8.183 13.064 ( 3.501 -1.408 0.541) 3.812 13.088 ( -3.483 2.603 0.404) 4.367 13.308 ( 0.412 -1.328 1.932) 2.380 13.350 ( -3.647 -4.497 1.416) 5.960 15.416 ( 3.881 -3.405 1.534) 5.386 15.501 ( -3.692 -7.476 3.414) 9.009 15.955 ( 1.222 -0.467 5.497) 5.650 16.106 ( -2.440 -2.881 3.319) 5.027 16.809 ( -5.167 11.630 -2.364) 12.944 16.995 ( 6.807 5.107 -3.343) 9.143 17.258 ( 8.090 13.534 5.668) 16.755 17.322 ( -6.191 8.079 4.123) 10.982 17.513 ( 3.260 -5.774 -3.580) 7.536 17.941 ( -0.741 -0.503 0.238) 0.927 18.880 ( 8.161 -14.226 -4.477) 17.001 19.193 ( -14.584 -15.342 -1.836) 21.247 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -4.079 -4.669 -8.378) 10.422 1.496 ( 19.764 -8.080 -6.335) 22.271 2.312 ( -6.010 5.446 4.764) 9.406 2.409 ( 0.139 0.006 5.720) 5.722 2.539 ( -7.291 -3.227 2.762) 8.438 2.677 ( 8.971 5.513 -1.260) 10.605 2.823 ( -4.119 -1.989 2.593) 5.258 2.974 ( 3.879 -0.555 -1.672) 4.261 3.129 ( 3.233 -1.706 3.747) 5.235 3.252 ( 1.541 -7.534 -2.888) 8.214 3.419 ( -4.666 -2.884 0.845) 5.551 3.577 ( 3.785 -2.038 1.146) 4.449 4.197 ( -1.129 -1.554 0.702) 2.045 4.255 ( 2.426 -3.575 -1.022) 4.440 4.364 ( -0.411 -3.220 -5.947) 6.775 4.413 ( -2.511 -2.374 -9.467) 10.078 4.877 ( 1.397 -0.182 2.312) 2.708 4.928 ( -0.643 -1.556 -1.723) 2.409 6.423 ( 2.695 0.214 0.329) 2.723 6.440 ( -0.244 -0.669 -3.083) 3.164 7.437 ( -4.183 4.252 5.451) 8.081 7.568 ( 1.976 0.806 0.557) 2.206 7.983 ( -2.557 3.328 8.331) 9.329 8.256 ( -0.658 1.846 -5.460) 5.801 8.579 ( -4.415 -10.031 8.214) 13.696 8.841 ( 4.547 -9.337 -1.262) 10.462 9.032 ( 2.663 -1.501 -3.678) 4.782 9.069 ( -1.319 -2.783 -5.187) 6.032 9.248 ( 0.144 0.340 2.568) 2.594 9.463 ( 1.183 -4.569 -7.466) 8.832 10.005 ( 1.406 2.452 4.467) 5.286 10.030 ( 1.707 1.325 6.787) 7.123 10.098 ( 0.429 3.437 -2.640) 4.355 10.275 ( -1.606 1.125 -5.926) 6.242 10.483 ( -4.505 -6.409 1.653) 8.007 10.527 ( -8.047 -6.914 -2.352) 10.867 10.730 ( 4.263 2.626 -2.607) 5.645 10.831 ( 6.592 -0.659 -5.206) 8.426 10.992 ( -2.385 2.619 1.257) 3.759 11.126 ( 5.262 0.368 -2.061) 5.663 11.664 ( -0.270 2.062 4.311) 4.786 11.738 ( -2.096 -0.223 -1.794) 2.768 12.787 ( 0.980 7.565 2.213) 7.943 12.820 ( -5.594 7.687 -3.127) 10.008 13.064 ( -0.548 0.093 -0.156) 0.577 13.104 ( 2.571 -0.206 -0.366) 2.605 13.319 ( -1.359 -2.419 1.410) 3.113 13.352 ( 2.577 -2.942 1.763) 4.290 15.465 ( -1.968 -4.037 1.893) 4.874 15.518 ( 2.405 -6.154 1.955) 6.890 15.967 ( -7.394 3.304 4.113) 9.083 16.143 ( 3.579 -2.322 2.579) 4.985 16.747 ( -1.549 4.991 2.523) 5.803 16.970 ( -0.667 2.715 -10.439) 10.807 17.133 ( -12.587 8.799 7.794) 17.222 17.524 ( 0.781 -6.143 -1.137) 6.296 17.624 ( 13.167 15.568 9.108) 22.331 17.838 ( -3.146 3.783 -7.506) 8.975 18.904 ( -11.494 -14.115 -4.810) 18.828 19.118 ( 17.365 -18.322 0.403) 25.247 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 3.642 3.307 -6.625) 8.251 1.824 ( 23.888 -6.645 -4.088) 25.130 2.215 ( -10.513 13.380 1.676) 17.099 2.425 ( -2.067 -2.371 4.908) 5.830 2.590 ( 3.857 -6.441 2.683) 7.973 2.716 ( -4.093 2.057 -0.466) 4.605 2.820 ( 3.462 0.022 2.819) 4.465 2.941 ( 0.632 0.920 -6.637) 6.730 3.215 ( 1.356 -3.870 4.357) 5.984 3.258 ( 0.391 -2.256 -5.501) 5.959 3.357 ( -0.421 -4.011 1.936) 4.474 3.694 ( 6.932 -5.995 0.334) 9.171 4.173 ( -1.586 -1.598 -1.269) 2.584 4.250 ( -1.735 -0.036 -2.396) 2.958 4.307 ( 2.397 -4.972 -1.649) 5.761 4.405 ( 3.853 -3.949 4.408) 7.062 4.861 ( -1.872 0.274 -2.339) 3.008 4.944 ( 1.477 -1.873 1.074) 2.616 6.433 ( 3.027 0.334 -1.867) 3.572 6.509 ( 5.542 -0.936 1.875) 5.925 7.354 ( -8.784 4.889 0.504) 10.066 7.557 ( -1.802 0.086 -2.605) 3.169 8.069 ( -0.627 2.430 10.238) 10.541 8.172 ( -0.421 0.640 -6.175) 6.222 8.609 ( -2.773 -6.894 8.015) 10.929 8.880 ( 4.536 -12.935 -6.015) 14.969 8.982 ( -2.218 -2.623 -2.400) 4.190 9.077 ( 0.388 -6.174 2.174) 6.557 9.297 ( 2.760 1.122 1.977) 3.576 9.419 ( 2.421 -1.190 -4.753) 5.466 10.001 ( -0.334 3.347 -1.287) 3.601 10.119 ( -3.668 2.282 3.486) 5.551 10.146 ( 0.209 3.456 -2.938) 4.541 10.177 ( 3.981 0.034 -0.890) 4.080 10.290 ( -11.309 -4.170 0.022) 12.053 10.490 ( -0.634 -2.665 1.454) 3.101 10.731 ( 1.003 3.990 -1.931) 4.544 10.912 ( -2.304 -1.190 -0.192) 2.600 11.027 ( 11.583 -0.434 0.125) 11.592 11.229 ( 7.678 1.150 -0.941) 7.821 11.622 ( -4.577 0.706 -2.274) 5.160 11.763 ( 1.339 -0.819 4.934) 5.177 12.652 ( -8.069 7.822 -3.502) 11.771 12.730 ( -7.663 3.891 0.260) 8.599 13.046 ( -2.473 1.683 -1.846) 3.515 13.152 ( 4.191 3.014 0.516) 5.189 13.318 ( -1.186 -1.208 0.513) 1.769 13.439 ( 5.402 -5.075 0.933) 7.470 15.422 ( -2.554 0.347 -2.372) 3.503 15.582 ( 1.441 -6.628 3.313) 7.549 15.846 ( -10.438 5.320 2.639) 12.009 16.240 ( 4.112 -4.715 0.367) 6.267 16.763 ( -2.523 5.222 2.804) 6.441 16.872 ( -0.012 5.066 -0.215) 5.071 16.988 ( -12.720 2.244 3.008) 13.262 17.510 ( -1.149 -4.608 -0.162) 4.752 17.725 ( 1.975 1.468 -9.111) 9.437 17.881 ( 3.970 8.906 5.920) 11.407 18.705 ( -2.659 -4.961 -4.337) 7.106 19.451 ( 19.120 -18.217 1.541) 26.453 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 6.193 14.161 -2.325) 15.630 2.000 ( -10.449 13.029 -1.795) 16.798 2.144 ( 14.262 -3.880 -6.497) 16.145 2.436 ( 1.609 -0.685 -5.539) 5.808 2.513 ( -10.033 -0.492 5.680) 11.540 2.787 ( 1.947 -0.292 10.122) 10.311 2.902 ( 5.382 -3.513 2.601) 6.934 3.020 ( 11.475 -0.593 -1.287) 11.563 3.083 ( -8.219 4.486 -5.003) 10.616 3.330 ( 3.690 -6.518 2.173) 7.799 3.427 ( 5.650 -8.779 0.621) 10.458 3.739 ( 2.653 -9.846 -6.122) 11.893 4.141 ( -0.818 -0.576 0.197) 1.019 4.297 ( 3.805 2.323 5.625) 7.177 4.324 ( 1.730 -3.975 -0.191) 4.339 4.557 ( 4.144 -4.439 7.545) 9.685 4.793 ( -1.938 2.059 -3.492) 4.493 4.965 ( 0.023 -2.707 0.008) 2.707 6.492 ( 5.660 1.364 -1.074) 5.920 6.639 ( 6.665 -1.756 2.027) 7.184 7.194 ( -8.304 4.452 -1.612) 9.559 7.470 ( -2.560 -2.249 -4.837) 5.917 8.100 ( 0.704 -0.417 -4.320) 4.397 8.186 ( 0.905 -1.747 5.996) 6.310 8.676 ( -0.637 -3.892 7.695) 8.647 8.827 ( -1.444 -8.703 -4.940) 10.111 8.986 ( 3.280 -4.654 0.122) 5.695 9.065 ( -3.780 -7.418 2.412) 8.668 9.378 ( 3.207 -0.979 2.526) 4.198 9.419 ( 0.746 -0.710 -1.751) 2.032 9.922 ( -12.460 4.481 -1.825) 13.366 9.986 ( -1.845 2.623 -1.217) 3.430 10.110 ( -3.143 -1.269 -2.191) 4.036 10.232 ( 3.551 -2.610 -2.240) 4.943 10.277 ( 4.089 4.543 5.661) 8.331 10.510 ( -0.471 1.405 1.747) 2.291 10.732 ( -0.258 3.962 0.734) 4.038 10.873 ( -1.389 3.642 0.712) 3.962 11.207 ( 8.568 -4.811 -1.024) 9.879 11.336 ( 5.923 2.959 -1.427) 6.774 11.497 ( -5.299 0.641 -3.995) 6.667 11.856 ( 1.659 -4.800 6.093) 7.932 12.509 ( -4.633 9.053 -2.184) 10.402 12.612 ( -6.527 4.909 2.184) 8.454 12.941 ( -5.400 -0.213 -2.865) 6.116 13.229 ( 2.231 2.737 -0.886) 3.640 13.275 ( -1.798 -0.071 -0.404) 1.844 13.535 ( 5.458 -4.342 -0.799) 7.020 15.343 ( -1.718 3.198 -3.650) 5.148 15.648 ( -1.230 -1.022 6.932) 7.114 15.696 ( -8.993 0.328 0.917) 9.046 16.264 ( 1.180 -2.705 -2.966) 4.184 16.718 ( -7.304 3.848 2.163) 8.534 16.813 ( -7.827 -2.862 -1.100) 8.406 16.940 ( 4.577 4.872 2.467) 7.125 17.468 ( -3.228 -1.537 -2.134) 4.164 17.706 ( 2.921 -1.765 -1.706) 3.816 17.844 ( -5.205 -3.760 -5.948) 8.753 18.777 ( 9.021 9.836 5.081) 14.281 19.765 ( 16.650 -17.030 -0.115) 23.817 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 4.932 20.435 2.339) 21.152 1.778 ( -11.130 13.560 -1.468) 17.604 2.156 ( -0.804 -1.961 -6.857) 7.177 2.365 ( -2.787 -0.770 2.530) 3.842 2.597 ( 3.960 6.676 8.248) 11.326 2.830 ( -6.611 3.785 -9.930) 12.515 2.966 ( 2.493 0.400 9.466) 9.797 3.074 ( 4.866 -4.390 6.601) 9.302 3.188 ( 12.192 -2.535 -6.375) 13.990 3.401 ( 2.847 -7.694 1.159) 8.285 3.492 ( 2.483 -11.977 -6.247) 13.734 3.754 ( 5.721 -10.546 2.498) 12.255 4.159 ( 0.535 0.289 3.144) 3.203 4.334 ( -0.283 -4.469 1.262) 4.652 4.449 ( 4.145 3.556 3.191) 6.325 4.654 ( -1.258 2.448 1.529) 3.148 4.764 ( 2.894 -2.091 1.481) 3.865 4.946 ( -1.403 -3.109 -0.816) 3.507 6.581 ( 6.251 1.580 -1.747) 6.680 6.753 ( 3.739 -1.583 0.710) 4.122 7.081 ( -2.099 2.695 -0.841) 3.518 7.384 ( -0.290 -4.744 -5.109) 6.978 8.077 ( 1.999 -2.857 -3.808) 5.163 8.225 ( -0.225 -5.647 -0.490) 5.673 8.744 ( -1.779 -1.617 6.321) 6.763 8.773 ( -2.864 -2.601 1.772) 4.256 9.000 ( -3.389 -5.206 1.412) 6.371 9.097 ( 5.255 -5.864 0.892) 7.924 9.358 ( -2.936 1.709 -2.830) 4.421 9.466 ( 1.511 -3.610 4.198) 5.740 9.727 ( -10.693 3.750 2.822) 11.678 9.874 ( -7.421 -0.815 -0.155) 7.467 10.114 ( 3.445 2.269 -0.850) 4.212 10.263 ( 4.546 -2.144 -4.189) 6.543 10.404 ( 2.538 3.581 3.855) 5.842 10.520 ( -0.865 2.176 3.697) 4.376 10.732 ( -0.147 6.366 1.069) 6.456 10.883 ( 0.100 5.849 1.270) 5.987 11.271 ( -0.671 -3.423 -0.507) 3.525 11.363 ( -0.360 3.044 -0.618) 3.127 11.417 ( 4.377 -4.028 -5.612) 8.178 11.933 ( -0.195 -8.624 3.583) 9.341 12.424 ( -3.668 11.436 -2.230) 12.215 12.547 ( -4.596 12.246 -1.119) 13.127 12.869 ( -1.146 -5.512 3.864) 6.828 13.153 ( -4.108 -4.251 -1.617) 6.129 13.317 ( 3.397 6.930 -0.597) 7.741 13.593 ( 3.925 -2.792 -3.192) 5.778 15.309 ( 0.973 3.992 -0.363) 4.125 15.550 ( -9.984 4.925 4.410) 11.974 15.727 ( -0.388 -3.889 6.800) 7.843 16.234 ( 0.513 2.526 -4.186) 4.916 16.601 ( -7.093 -8.018 1.698) 10.839 16.686 ( -2.244 -3.856 -7.419) 8.657 16.995 ( 1.184 3.346 -5.448) 6.502 17.320 ( -10.824 -4.233 -5.485) 12.851 17.659 ( -0.672 1.241 -1.355) 1.956 17.838 ( 6.360 -0.468 1.034) 6.460 19.034 ( 9.056 12.365 10.413) 18.529 19.991 ( 11.874 -15.415 -2.966) 19.683 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 2.590 20.948 5.573) 21.831 1.656 ( -5.664 14.209 6.552) 16.640 2.088 ( 1.732 -0.117 -4.816) 5.119 2.408 ( -0.241 1.182 8.623) 8.707 2.558 ( -9.369 6.146 -9.064) 14.412 2.764 ( 4.743 5.518 4.690) 8.657 3.079 ( 1.090 -6.930 0.889) 7.071 3.215 ( 0.282 -2.179 8.669) 8.943 3.276 ( 7.426 -5.340 -7.426) 11.781 3.380 ( -0.800 -5.296 -2.772) 6.031 3.494 ( 5.419 -7.894 -2.826) 9.983 3.927 ( 5.610 -10.851 5.332) 13.329 4.222 ( 1.292 0.320 4.655) 4.842 4.335 ( -0.836 -3.540 0.272) 3.647 4.439 ( -2.562 5.492 -4.590) 7.602 4.645 ( -1.671 1.954 0.536) 2.626 4.854 ( 3.096 -2.883 2.723) 5.031 4.931 ( -0.016 -2.319 1.847) 2.965 6.643 ( 4.313 -0.035 -3.166) 5.350 6.759 ( -1.595 -1.010 -1.567) 2.453 7.112 ( 3.467 1.026 1.663) 3.980 7.353 ( 3.094 -5.380 -4.233) 7.513 8.073 ( 2.792 -3.991 -3.499) 5.998 8.195 ( -0.796 -6.693 -2.562) 7.211 8.701 ( -9.087 -2.007 3.048) 9.793 8.727 ( -6.029 -2.585 -0.186) 6.562 9.001 ( 4.205 0.713 0.803) 4.340 9.159 ( -0.634 -2.002 0.359) 2.130 9.350 ( 2.971 1.186 3.097) 4.453 9.526 ( -1.234 -6.508 7.174) 9.764 9.643 ( -5.487 3.416 4.997) 8.169 9.795 ( -0.798 -0.760 -0.109) 1.107 10.152 ( 1.402 1.783 -0.523) 2.328 10.286 ( 3.155 -2.220 -3.830) 5.436 10.443 ( 0.236 3.423 1.194) 3.633 10.547 ( -2.382 1.218 4.318) 5.079 10.784 ( 3.309 9.902 1.534) 10.552 10.870 ( -2.616 5.588 -0.044) 6.170 11.233 ( -2.060 1.465 3.381) 4.221 11.414 ( 5.402 -8.901 0.467) 10.422 11.440 ( 4.338 -0.651 -3.688) 5.731 11.918 ( -4.041 -10.009 0.524) 10.807 12.289 ( -5.909 11.680 -7.549) 15.110 12.416 ( -5.753 8.585 -4.416) 11.239 12.985 ( 3.298 -1.582 9.279) 9.974 13.122 ( 0.502 -2.592 2.172) 3.419 13.348 ( 1.739 8.171 -1.813) 8.548 13.591 ( 1.955 -1.211 -5.624) 6.076 15.356 ( -0.463 7.520 5.491) 9.323 15.494 ( -1.782 0.391 5.526) 5.819 15.791 ( -3.049 0.875 8.936) 9.482 16.192 ( 1.175 1.973 -5.224) 5.706 16.541 ( -3.719 -13.336 3.096) 14.187 16.569 ( 2.877 -5.422 -13.395) 14.734 16.848 ( -2.693 -0.976 -14.553) 14.832 17.006 ( -14.377 -6.611 -8.004) 17.733 17.746 ( 5.283 7.565 5.101) 10.543 17.954 ( 4.151 5.050 2.054) 6.852 19.294 ( 5.302 8.996 13.039) 16.705 20.086 ( 5.676 -13.398 -6.172) 15.805 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.652 12.444 3.513) 12.947 1.931 ( 1.214 4.958 5.189) 7.278 2.181 ( 8.847 7.476 -1.179) 11.643 2.385 ( 5.495 -11.233 0.695) 12.524 2.421 ( -6.759 8.122 -8.411) 13.505 2.668 ( -8.120 -15.632 -9.339) 19.937 3.026 ( -3.060 7.584 7.695) 11.229 3.165 ( -2.145 -7.170 4.962) 8.979 3.265 ( 2.239 4.054 -2.894) 5.461 3.377 ( 2.948 -7.219 -3.234) 8.442 3.622 ( 3.814 10.298 9.341) 14.417 3.833 ( 1.538 -10.136 5.397) 11.586 4.286 ( -0.473 0.340 1.140) 1.280 4.298 ( 1.386 -0.886 1.460) 2.199 4.449 ( -3.294 3.939 -1.883) 5.469 4.519 ( -4.891 -3.034 -4.338) 7.207 4.928 ( 1.318 0.694 3.521) 3.823 4.945 ( 0.693 -0.962 2.696) 2.945 6.638 ( 0.724 -0.411 -3.117) 3.227 6.652 ( -1.578 -1.673 -3.592) 4.265 7.222 ( 1.936 2.791 0.974) 3.534 7.287 ( 2.846 -3.846 -1.584) 5.040 8.028 ( -0.670 -1.812 -1.519) 2.458 8.033 ( -3.784 -2.317 -1.794) 4.786 8.568 ( -2.092 -0.325 -0.145) 2.122 8.585 ( -1.140 -2.026 -0.819) 2.465 9.109 ( -3.225 2.414 1.846) 4.431 9.146 ( 0.908 -0.913 0.679) 1.456 9.460 ( 2.559 -0.344 3.402) 4.270 9.484 ( 4.807 -2.891 2.674) 6.214 9.747 ( 0.425 4.208 7.655) 8.745 9.817 ( 1.816 -2.549 5.725) 6.525 10.157 ( -1.641 1.305 -3.279) 3.892 10.192 ( -1.554 -2.198 -5.284) 5.930 10.558 ( 0.619 2.930 3.294) 4.452 10.588 ( 0.426 0.032 2.959) 2.989 10.886 ( -2.767 3.296 -2.534) 4.995 10.912 ( -1.704 1.392 -2.792) 3.555 11.316 ( 6.653 0.097 1.397) 6.799 11.359 ( 3.233 -3.627 -1.504) 5.086 11.566 ( 2.438 4.944 4.546) 7.145 11.690 ( -2.492 -7.374 2.976) 8.333 12.236 ( -5.011 4.970 -8.436) 10.999 12.294 ( -5.280 -0.963 -8.156) 9.763 13.171 ( 3.457 1.374 8.044) 8.862 13.192 ( 3.344 -0.697 6.330) 7.193 13.466 ( -0.329 4.811 -3.247) 5.814 13.523 ( -0.289 -1.188 -5.208) 5.349 15.531 ( -0.287 3.740 7.637) 8.509 15.579 ( 3.267 -2.102 8.600) 9.436 16.002 ( -3.516 11.013 8.128) 14.132 16.147 ( -4.938 0.216 -5.743) 7.577 16.300 ( 0.863 -7.741 3.032) 8.358 16.332 ( 6.420 -6.714 -13.396) 16.302 16.597 ( -2.003 -2.099 -14.021) 14.318 16.610 ( -5.526 -3.846 -9.432) 11.588 18.047 ( 2.670 6.294 6.120) 9.176 18.106 ( 1.936 0.751 3.924) 4.439 19.623 ( -0.005 8.435 4.710) 9.661 19.819 ( -0.666 -11.155 -3.476) 11.703 ======================= Grid point 243 (131/170) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -1.018 9.565 3.161) 10.126 1.993 ( -1.055 0.276 3.453) 3.621 2.131 ( -5.169 11.687 -10.566) 16.581 2.353 ( 2.930 -2.515 -5.503) 6.723 2.425 ( -2.098 -2.546 -1.080) 3.471 2.586 ( 7.148 -11.864 4.703) 14.627 2.998 ( -8.381 5.961 4.742) 11.326 3.126 ( -7.225 -6.890 3.432) 10.557 3.270 ( 1.329 2.750 -2.329) 3.841 3.366 ( -0.050 -6.801 -2.974) 7.423 3.768 ( -0.024 4.951 8.127) 9.516 3.826 ( -3.860 -0.585 -3.129) 5.003 4.295 ( 1.342 0.477 -0.386) 1.475 4.336 ( 1.968 -3.484 -0.133) 4.004 4.417 ( -1.536 0.837 2.706) 3.222 4.424 ( -1.625 -0.146 0.619) 1.745 4.955 ( -1.667 0.209 0.600) 1.784 4.962 ( -0.761 -0.386 1.472) 1.702 6.597 ( -0.895 0.683 -1.720) 2.056 6.630 ( 1.044 -2.696 -0.747) 2.986 7.230 ( -1.067 2.431 -0.914) 2.808 7.284 ( 0.307 -2.916 -3.518) 4.579 7.914 ( -7.139 -0.243 0.509) 7.162 7.963 ( -5.994 -5.051 0.806) 7.880 8.642 ( 8.673 1.279 1.851) 8.960 8.681 ( 10.928 -2.731 1.207) 11.328 9.028 ( -6.743 2.890 1.384) 7.466 9.104 ( -6.306 -4.441 0.801) 7.755 9.545 ( 5.918 3.678 -1.476) 7.123 9.625 ( 7.718 -4.137 -0.599) 8.777 9.836 ( -1.594 4.064 5.865) 7.312 9.898 ( 0.107 -1.678 2.274) 2.828 10.084 ( -1.581 -0.061 -2.411) 2.884 10.094 ( -1.492 -1.019 -3.899) 4.297 10.584 ( -1.351 2.647 2.919) 4.166 10.620 ( -0.797 -0.583 3.345) 3.488 10.844 ( 1.017 4.523 -1.613) 4.908 10.901 ( 2.558 -1.466 -0.514) 2.993 11.278 ( -5.707 1.487 -4.081) 7.172 11.350 ( -2.622 -5.386 -3.608) 6.993 11.648 ( -2.662 3.879 0.303) 4.714 11.717 ( 2.808 -2.517 3.812) 5.362 12.226 ( 8.477 1.108 0.860) 8.592 12.235 ( 7.747 -0.027 -0.670) 7.776 13.266 ( -0.045 1.212 2.174) 2.490 13.280 ( 0.699 0.204 2.554) 2.656 13.400 ( -3.359 3.050 -1.757) 4.866 13.424 ( -3.825 0.507 -5.266) 6.528 15.586 ( -3.926 6.121 5.642) 9.204 15.704 ( -1.946 -6.168 6.354) 9.067 15.933 ( -4.080 5.808 -6.116) 9.369 16.026 ( -4.630 -4.532 -0.947) 6.547 16.307 ( 6.302 8.177 -0.065) 10.324 16.403 ( 5.822 3.417 -0.887) 6.808 16.551 ( 9.504 -11.981 -1.463) 15.362 16.562 ( 8.332 -8.858 -5.532) 13.360 18.084 ( -3.593 6.855 0.550) 7.759 18.130 ( -1.479 2.277 0.160) 2.720 19.634 ( -5.563 1.667 5.314) 7.871 19.713 ( -6.578 -6.176 -3.900) 9.830 ======================= Grid point 244 (132/170) ======================= q-point: ( 0.18 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -4.336 10.127 -2.994) 11.416 1.953 ( -2.498 7.022 -1.553) 7.613 1.997 ( -1.154 -2.588 -2.483) 3.768 2.173 ( -8.137 -13.421 -3.554) 16.093 2.557 ( 6.136 11.016 3.735) 13.151 2.753 ( 4.646 -7.973 4.634) 10.326 2.882 ( -10.825 5.181 4.577) 12.844 3.039 ( -6.883 -8.524 2.326) 11.200 3.240 ( -1.149 0.990 -2.499) 2.923 3.312 ( -2.200 -6.076 -2.554) 6.949 3.671 ( -6.166 4.552 -6.984) 10.369 3.755 ( -6.793 -3.977 -0.589) 7.894 4.331 ( 2.728 3.936 0.219) 4.794 4.354 ( 0.719 2.006 0.075) 2.132 4.438 ( 1.257 0.260 1.040) 1.652 4.494 ( 2.553 -4.852 6.886) 8.802 4.910 ( -2.270 1.814 -1.910) 3.478 4.948 ( -1.046 -1.841 -0.822) 2.271 6.578 ( -0.700 2.920 0.259) 3.014 6.647 ( 0.170 -3.999 1.111) 4.154 7.172 ( -2.311 3.477 -2.579) 4.907 7.241 ( 0.271 -3.316 -3.270) 4.664 7.856 ( -2.440 -1.365 3.744) 4.672 7.894 ( -4.633 -5.155 4.117) 8.062 8.802 ( 2.023 4.810 2.377) 5.734 8.903 ( 9.887 -4.357 0.539) 10.818 8.984 ( 2.622 -0.688 1.227) 2.976 9.003 ( -2.554 -3.062 0.752) 4.057 9.539 ( -2.064 4.465 -6.666) 8.285 9.624 ( -3.962 -4.103 -5.800) 8.134 9.877 ( 3.855 2.378 1.640) 4.817 9.915 ( 4.994 -1.080 -2.134) 5.537 10.062 ( -1.845 0.196 1.142) 2.178 10.067 ( -1.694 -0.329 1.371) 2.204 10.598 ( -0.324 3.865 2.036) 4.380 10.669 ( 2.398 -2.641 2.723) 4.488 10.843 ( -0.688 5.770 -1.494) 6.000 10.949 ( 0.267 -4.718 2.220) 5.221 11.138 ( -3.420 1.466 -3.764) 5.292 11.211 ( -5.372 -6.019 -4.079) 9.040 11.597 ( -0.605 10.115 -1.603) 10.259 11.773 ( 0.488 -7.484 1.194) 7.594 12.444 ( 13.735 4.604 4.737) 15.241 12.497 ( 13.468 -0.412 5.750) 14.650 13.194 ( -4.254 0.477 -6.117) 7.466 13.205 ( -5.054 -0.751 -9.268) 10.583 13.341 ( -3.175 2.689 2.305) 4.757 13.366 ( -2.909 -0.154 4.167) 5.084 15.505 ( -6.041 4.054 -2.786) 7.791 15.616 ( -6.541 -7.540 -3.982) 10.746 15.862 ( -3.605 6.822 4.260) 8.814 15.992 ( -2.881 -6.377 4.415) 8.274 16.490 ( 11.219 12.698 4.067) 17.426 16.559 ( 12.820 8.006 1.117) 15.156 16.707 ( 13.966 -10.113 -3.151) 17.529 16.799 ( 14.489 -14.745 6.326) 21.618 17.954 ( -8.411 9.355 -4.515) 13.366 18.051 ( -5.749 -0.098 -3.444) 6.702 19.515 ( -11.153 -0.521 -3.765) 11.783 19.562 ( -10.251 -4.924 4.626) 12.277 ======================= Grid point 245 (133/170) ======================= q-point: ( 0.27 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -7.719 12.047 -8.192) 16.487 1.913 ( -7.258 -9.444 -3.204) 12.334 1.979 ( 3.771 2.828 3.335) 5.774 2.073 ( -0.566 -7.232 1.801) 7.474 2.659 ( -1.796 9.112 5.054) 10.573 2.762 ( -7.809 8.296 5.149) 12.503 2.836 ( -1.731 -8.562 4.030) 9.620 2.937 ( -7.965 -7.965 1.574) 11.373 3.194 ( -1.294 -1.503 -1.660) 2.586 3.241 ( -2.483 -5.608 -2.976) 6.817 3.500 ( -4.265 4.914 -5.230) 8.348 3.594 ( -7.159 -5.197 -3.288) 9.438 4.326 ( 1.574 3.233 -4.942) 6.112 4.372 ( 1.643 -0.474 -3.340) 3.752 4.495 ( 1.599 3.921 2.851) 5.105 4.599 ( 0.783 -5.784 4.200) 7.191 4.853 ( -0.501 3.702 -2.904) 4.732 4.920 ( 0.031 -3.054 -1.941) 3.619 6.562 ( -1.727 3.745 -0.289) 4.134 6.636 ( -2.437 -3.774 -0.572) 4.529 7.153 ( 1.727 4.644 1.920) 5.314 7.245 ( 2.847 -4.381 0.319) 5.235 7.885 ( -0.412 -0.889 4.181) 4.294 7.926 ( 0.426 -5.056 7.281) 8.875 8.754 ( -5.878 3.813 0.016) 7.007 8.856 ( -6.145 -6.340 -1.166) 8.906 9.086 ( 7.012 3.151 -2.894) 8.214 9.157 ( 9.807 -3.784 -2.969) 10.923 9.417 ( -2.011 2.850 -3.570) 4.991 9.470 ( -5.171 -2.958 -3.941) 7.143 9.942 ( -3.203 0.557 2.396) 4.038 9.961 ( -1.173 -1.222 3.087) 3.521 10.057 ( 5.294 1.931 -2.113) 6.019 10.088 ( 5.408 -1.068 -1.440) 5.697 10.594 ( -2.051 5.149 -1.092) 5.649 10.700 ( -0.083 -4.728 -4.478) 6.513 10.808 ( 0.012 4.935 1.165) 5.070 10.920 ( -4.470 -6.365 0.998) 7.842 11.101 ( 0.835 2.382 -0.781) 2.642 11.159 ( 0.457 -3.345 0.398) 3.400 11.596 ( 1.328 10.422 0.232) 10.509 11.782 ( -0.504 -8.243 0.758) 8.293 12.714 ( 8.503 6.139 1.828) 10.646 12.748 ( 10.711 3.517 4.549) 12.156 12.996 ( -4.802 0.363 -9.626) 10.764 13.076 ( -0.228 -6.061 -2.905) 6.725 13.309 ( -3.775 3.266 1.799) 5.306 13.361 ( -3.504 -2.004 3.440) 5.304 15.388 ( -3.097 2.813 -2.533) 4.891 15.481 ( -5.403 -6.779 -1.057) 8.733 15.869 ( -2.531 6.272 5.346) 8.621 15.996 ( -3.621 -6.486 5.493) 9.239 16.738 ( 13.623 9.771 1.432) 16.826 16.844 ( 16.731 11.502 3.944) 20.683 16.922 ( 13.167 -6.694 -0.498) 14.779 17.149 ( 15.987 -15.345 8.571) 23.760 17.721 ( -10.996 10.541 -6.114) 16.414 17.867 ( -8.892 -3.174 -6.235) 11.315 19.255 ( -13.731 4.178 -4.381) 15.007 19.402 ( -13.745 -9.984 2.661) 17.195 ======================= Grid point 246 (134/170) ======================= q-point: ( 0.36 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -6.553 10.377 -9.864) 15.746 1.683 ( -11.326 -12.178 -7.509) 18.248 2.141 ( 6.506 0.667 6.350) 9.116 2.177 ( 6.014 -2.899 7.366) 9.941 2.587 ( -7.845 8.594 2.458) 11.893 2.743 ( -6.068 -2.047 4.506) 7.830 2.809 ( -4.149 -4.095 4.114) 7.135 2.842 ( -6.367 -1.891 3.315) 7.423 3.143 ( -3.102 -1.604 -1.617) 3.849 3.178 ( -0.494 -4.492 -0.937) 4.616 3.430 ( -0.161 2.382 -1.459) 2.797 3.488 ( -2.374 -3.523 -1.143) 4.399 4.286 ( 1.538 2.837 -6.209) 6.997 4.339 ( 0.846 -1.744 -5.663) 5.986 4.501 ( -0.484 3.433 -3.948) 5.254 4.595 ( -1.732 -5.406 -3.105) 6.470 4.840 ( 1.130 4.030 -0.675) 4.239 4.911 ( 0.602 -3.324 -0.742) 3.459 6.510 ( -2.346 3.021 -2.286) 4.456 6.563 ( -3.315 -2.429 -2.585) 4.855 7.267 ( 4.514 3.895 6.938) 9.148 7.343 ( 4.650 -3.486 4.644) 7.439 7.946 ( 0.849 2.750 5.469) 6.180 8.044 ( 2.310 -6.932 8.099) 10.908 8.643 ( -5.604 3.164 -1.817) 6.688 8.737 ( -4.668 -5.958 -2.905) 8.107 9.120 ( 3.439 3.154 -3.881) 6.069 9.186 ( 3.279 -2.537 -8.503) 9.460 9.346 ( -4.043 1.673 -1.991) 4.807 9.413 ( 0.669 -5.198 -2.995) 6.036 9.899 ( -3.933 3.095 4.273) 6.581 9.951 ( -3.475 -2.010 4.036) 5.693 10.169 ( 7.995 1.323 -1.088) 8.176 10.197 ( 7.773 -1.370 -0.124) 7.893 10.499 ( -4.777 5.100 -3.426) 7.783 10.623 ( -1.647 -5.854 -5.028) 7.890 10.816 ( -0.580 2.380 -1.484) 2.864 10.881 ( -0.118 -3.668 -0.948) 3.790 11.095 ( -1.238 3.844 -0.931) 4.144 11.160 ( -1.613 -2.699 0.081) 3.145 11.639 ( 2.069 7.716 1.620) 8.151 11.778 ( -1.123 -6.206 0.946) 6.377 12.747 ( 2.340 6.409 -3.183) 7.528 12.856 ( 0.823 -4.164 -5.047) 6.594 12.987 ( 8.245 8.055 4.021) 12.208 13.140 ( 3.840 -6.168 2.642) 7.731 13.256 ( -3.780 2.882 1.077) 4.874 13.322 ( -4.528 -3.542 1.592) 5.965 15.351 ( -0.391 1.523 0.847) 1.786 15.413 ( -3.874 -4.894 2.546) 6.741 15.905 ( -0.487 4.147 5.390) 6.818 16.004 ( -2.746 -5.658 5.434) 8.312 16.955 ( 11.142 7.326 -1.280) 13.396 17.073 ( 10.285 -4.147 -8.161) 13.769 17.211 ( 15.251 16.433 9.851) 24.489 17.456 ( -0.189 3.210 -1.461) 3.532 17.518 ( -0.416 -6.437 3.794) 7.484 17.657 ( -3.223 -8.169 -2.193) 9.051 18.966 ( -12.990 6.228 -5.806) 15.532 19.168 ( -15.057 -13.228 -0.648) 20.053 ======================= Grid point 247 (135/170) ======================= q-point: ( 0.45 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 2.368 3.638 -10.141) 11.031 1.407 ( -6.936 -8.204 -10.731) 15.184 2.297 ( 2.575 0.964 6.215) 6.796 2.333 ( -1.452 -2.464 6.500) 7.102 2.577 ( 3.104 5.666 5.217) 8.304 2.686 ( -4.378 -3.570 5.317) 7.758 2.773 ( -4.999 1.154 3.079) 5.983 2.833 ( 0.049 -4.138 4.032) 5.778 3.103 ( 0.075 2.026 -0.476) 2.083 3.170 ( -0.154 -4.962 -1.345) 5.144 3.425 ( -0.689 1.098 0.905) 1.581 3.474 ( 0.259 -3.270 1.577) 3.640 4.237 ( 0.849 1.584 -5.510) 5.796 4.268 ( -0.711 -0.769 -6.478) 6.562 4.416 ( -0.196 1.679 -8.045) 8.220 4.490 ( -2.290 -4.915 -8.126) 9.769 4.861 ( 0.921 2.711 0.863) 2.991 4.911 ( -0.050 -2.492 -0.301) 2.511 6.449 ( -1.089 2.038 -2.405) 3.335 6.482 ( -2.085 -1.411 -2.931) 3.864 7.423 ( 2.634 2.933 7.984) 8.904 7.475 ( 3.052 -2.186 5.609) 6.749 8.029 ( -0.351 6.209 7.538) 9.773 8.175 ( 0.780 -8.040 9.058) 12.136 8.538 ( -3.026 3.738 -3.320) 5.844 8.655 ( -0.626 -7.314 -3.013) 7.934 9.103 ( -1.050 0.703 -7.794) 7.896 9.114 ( 0.669 -0.270 -5.490) 5.538 9.277 ( -0.874 2.782 -1.130) 3.127 9.375 ( 1.924 -7.190 -4.892) 8.907 9.932 ( 0.469 2.370 6.156) 6.613 9.965 ( -0.257 -1.096 4.439) 4.580 10.262 ( 1.827 4.102 -1.609) 4.770 10.295 ( 3.719 0.325 -0.792) 3.816 10.401 ( -1.834 0.595 -1.070) 2.205 10.514 ( -4.519 -8.688 -5.111) 11.046 10.777 ( 0.760 4.386 -3.695) 5.785 10.858 ( 0.316 -3.757 -4.392) 5.788 11.055 ( -0.895 3.990 -0.809) 4.168 11.112 ( -2.132 -2.127 -1.492) 3.361 11.689 ( 1.026 4.740 2.135) 5.299 11.764 ( -1.694 -2.845 0.690) 3.382 12.807 ( 6.050 5.074 0.983) 7.957 12.887 ( 5.797 -2.816 -0.511) 6.464 13.092 ( -0.951 3.420 -0.616) 3.603 13.124 ( -4.465 0.598 -1.043) 4.624 13.270 ( -0.406 -1.409 2.379) 2.794 13.286 ( 0.583 -2.318 2.935) 3.785 15.378 ( 0.355 -0.434 3.015) 3.066 15.402 ( -1.836 -2.986 3.608) 5.031 15.975 ( 0.411 2.415 6.251) 6.713 16.038 ( -0.747 -3.750 5.588) 6.771 16.992 ( -2.757 6.899 -9.098) 11.747 17.057 ( 4.377 0.459 -9.721) 10.671 17.380 ( -7.058 1.076 1.722) 7.345 17.412 ( -3.453 -3.229 2.965) 5.580 17.593 ( 16.139 17.055 7.882) 24.769 17.873 ( 8.449 -9.199 7.256) 14.445 18.730 ( -3.844 1.194 -6.706) 7.821 18.900 ( -12.349 -13.728 -4.601) 19.029 ======================= Grid point 248 (136/170) ======================= q-point: (-0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 5.601 2.168 -9.408) 11.162 1.347 ( 16.339 -6.885 -8.195) 19.532 2.343 ( -2.879 0.601 5.257) 6.024 2.379 ( 0.923 -2.955 4.795) 5.708 2.601 ( -7.302 7.195 5.379) 11.577 2.737 ( -3.742 -6.244 5.122) 8.901 2.797 ( 5.227 6.424 1.461) 8.410 2.908 ( 2.623 -4.710 1.918) 5.722 3.114 ( 2.041 -0.750 -1.963) 2.929 3.135 ( 1.113 -3.673 -2.628) 4.651 3.433 ( -1.021 3.609 2.771) 4.663 3.518 ( 1.878 -4.223 2.043) 5.053 4.182 ( -0.880 0.206 -3.651) 3.761 4.202 ( 1.335 -1.779 -3.804) 4.407 4.328 ( -0.513 0.041 -5.991) 6.013 4.361 ( -0.576 -2.768 -7.988) 8.474 4.885 ( 0.404 0.813 0.961) 1.322 4.903 ( -0.183 -1.062 -0.420) 1.157 6.433 ( 1.616 0.534 -0.878) 1.915 6.438 ( 0.646 0.036 -1.980) 2.083 7.506 ( -2.517 2.908 4.855) 6.194 7.553 ( -0.249 -1.884 3.097) 3.634 8.097 ( -3.792 7.647 9.968) 13.123 8.246 ( -4.517 -5.766 7.054) 10.169 8.478 ( 0.547 3.069 -2.314) 3.883 8.634 ( 2.436 -10.684 -4.247) 11.753 9.010 ( -0.579 -0.175 -4.585) 4.625 9.028 ( -1.289 -1.759 -5.542) 5.956 9.293 ( 3.159 3.725 -0.836) 4.955 9.375 ( 3.938 -4.450 -4.507) 7.458 10.040 ( 2.268 1.237 5.256) 5.856 10.050 ( 2.430 0.337 7.479) 7.871 10.189 ( -1.266 5.569 -5.201) 7.725 10.277 ( -1.276 -1.848 -6.652) 7.020 10.380 ( -5.989 -3.250 0.703) 6.850 10.396 ( -3.026 -4.727 1.003) 5.702 10.780 ( 3.659 2.266 -3.007) 5.250 10.815 ( 2.870 -1.317 -5.056) 5.961 11.052 ( 0.392 3.006 0.069) 3.033 11.103 ( 3.874 -2.162 -0.795) 4.507 11.716 ( -1.403 2.421 2.116) 3.509 11.740 ( -1.488 -0.114 0.418) 1.550 12.895 ( -3.304 3.451 0.371) 4.792 12.914 ( -5.278 1.936 -1.428) 5.800 13.048 ( 1.746 -0.446 -1.379) 2.269 13.073 ( 5.971 -2.334 0.113) 6.412 13.308 ( -0.172 0.584 2.113) 2.199 13.321 ( 0.177 -0.709 1.550) 1.713 15.417 ( -0.023 -0.873 2.819) 2.951 15.433 ( 0.920 -2.586 2.683) 3.838 16.035 ( -2.572 3.491 4.936) 6.570 16.096 ( 0.422 -2.759 4.260) 5.093 16.847 ( -3.034 5.496 -3.591) 7.232 16.946 ( -1.646 -4.014 -9.097) 10.079 17.293 ( -9.248 6.920 5.591) 12.832 17.411 ( -3.235 -5.644 2.893) 7.120 17.896 ( 6.576 10.112 5.681) 13.333 17.942 ( -2.778 4.719 -1.225) 5.611 18.688 ( -0.484 -5.360 -6.233) 8.235 18.785 ( 13.975 -13.954 -2.111) 19.862 ======================= Grid point 249 (137/170) ======================= q-point: (-0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 15.588 12.745 -6.186) 21.064 1.621 ( 23.060 -13.542 -5.043) 27.214 2.368 ( -0.533 3.384 1.180) 3.623 2.456 ( 1.625 -4.462 1.335) 4.933 2.524 ( -7.297 8.793 6.064) 12.936 2.687 ( -6.677 -5.532 2.081) 8.917 2.851 ( 1.740 2.458 0.275) 3.024 2.900 ( -0.219 -2.840 -2.319) 3.673 3.152 ( 4.594 -1.090 0.458) 4.743 3.188 ( 4.273 -4.201 -0.819) 6.048 3.418 ( -3.370 7.405 0.125) 8.137 3.566 ( 2.021 -7.271 -1.055) 7.620 4.155 ( 0.795 0.686 -1.883) 2.156 4.208 ( 2.403 -4.403 -2.150) 5.457 4.279 ( 0.867 2.404 -0.099) 2.558 4.335 ( 2.597 -3.301 1.886) 4.604 4.880 ( -0.709 1.417 -0.784) 1.767 4.910 ( 0.482 -1.637 0.295) 1.732 6.457 ( 3.633 1.752 -0.585) 4.076 6.489 ( 4.650 -1.335 0.705) 4.889 7.447 ( -7.235 4.545 -0.033) 8.544 7.525 ( -4.531 -3.149 -1.095) 5.626 8.139 ( -4.300 4.222 9.027) 10.854 8.193 ( -5.428 -0.103 0.490) 5.451 8.516 ( 2.993 -0.258 3.043) 4.276 8.634 ( 4.438 -10.862 -4.947) 12.734 8.955 ( -2.231 -0.225 -0.573) 2.314 8.982 ( -1.625 -3.206 0.131) 3.597 9.341 ( 3.958 2.729 -1.881) 5.163 9.389 ( 3.802 -2.037 -4.410) 6.169 10.066 ( -0.305 3.268 -1.655) 3.675 10.124 ( -0.593 -2.230 -0.324) 2.330 10.181 ( -3.978 1.646 -1.303) 4.498 10.208 ( -0.645 -0.078 1.036) 1.223 10.271 ( -2.406 4.224 2.035) 5.270 10.393 ( 2.031 -6.630 2.503) 7.372 10.791 ( 1.741 2.510 -1.991) 3.646 10.844 ( 2.425 -3.330 -0.843) 4.205 11.105 ( 6.373 5.359 -0.362) 8.335 11.198 ( 7.521 -3.830 -0.610) 8.462 11.676 ( -4.029 3.879 0.125) 5.594 11.738 ( -1.307 -2.125 2.208) 3.332 12.739 ( -8.438 2.220 -2.182) 8.994 12.764 ( -9.090 -0.272 -0.760) 9.126 13.117 ( 1.108 4.856 -1.393) 5.172 13.183 ( 5.157 -0.787 0.218) 5.221 13.304 ( -0.988 0.500 0.184) 1.123 13.350 ( 3.373 -3.782 0.659) 5.110 15.436 ( 0.047 1.387 -0.209) 1.403 15.483 ( 1.786 -3.624 1.651) 4.364 15.984 ( -6.784 8.007 1.587) 10.614 16.131 ( -0.509 -6.657 1.239) 6.791 16.814 ( -1.355 2.124 1.592) 2.980 16.865 ( -0.632 -2.902 -2.062) 3.616 17.168 ( -13.106 11.754 7.275) 19.048 17.374 ( -6.073 -9.042 5.745) 12.314 17.801 ( -2.261 6.125 -9.396) 11.442 17.924 ( -5.002 -4.432 -4.176) 7.881 18.773 ( 14.647 11.935 -0.862) 18.914 19.087 ( 19.296 -18.521 1.405) 26.783 ======================= Grid point 250 (138/170) ======================= q-point: (-0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 14.738 19.593 -3.344) 24.744 1.924 ( 16.977 -15.824 -3.889) 23.532 2.232 ( -7.982 8.707 -8.423) 14.508 2.373 ( -4.214 -5.857 -10.236) 12.523 2.577 ( 0.908 6.996 10.849) 12.941 2.720 ( 2.676 -6.414 10.046) 12.215 2.888 ( 2.749 2.228 1.910) 4.021 2.951 ( 3.429 -3.652 2.727) 5.703 3.212 ( 1.765 0.708 -4.452) 4.841 3.235 ( 4.712 -3.021 -0.768) 5.650 3.352 ( -2.835 6.224 0.216) 6.843 3.542 ( -0.658 -10.467 -3.636) 11.100 4.151 ( 0.520 1.975 0.052) 2.043 4.220 ( 0.999 -4.830 0.043) 4.933 4.378 ( 5.364 4.352 5.787) 9.012 4.466 ( 5.107 -4.677 6.776) 9.689 4.850 ( -1.145 3.261 -1.767) 3.882 4.910 ( -0.393 -2.931 -0.650) 3.028 6.537 ( 5.698 2.912 0.103) 6.399 6.594 ( 6.200 -2.773 1.050) 6.872 7.294 ( -7.938 5.577 -2.576) 10.037 7.399 ( -5.803 -4.846 -3.867) 8.492 8.113 ( -1.985 1.666 -2.907) 3.895 8.153 ( -2.508 -1.955 2.551) 4.077 8.626 ( 3.712 -0.176 5.100) 6.310 8.682 ( 4.008 -5.627 0.642) 6.938 8.930 ( -1.276 -1.005 1.870) 2.477 8.954 ( -3.180 -3.581 2.688) 5.492 9.379 ( 2.440 0.855 -0.764) 2.696 9.401 ( 2.011 -1.196 -2.199) 3.211 9.987 ( -10.931 2.354 -0.632) 11.199 10.015 ( -9.068 -0.204 -0.654) 9.094 10.118 ( 2.840 2.229 -2.862) 4.607 10.174 ( 3.177 -3.104 -2.940) 5.326 10.384 ( 4.837 5.960 4.347) 8.822 10.486 ( 2.524 -3.781 3.173) 5.544 10.801 ( 0.743 3.389 0.534) 3.510 10.867 ( 0.798 -3.067 1.396) 3.463 11.211 ( 6.451 4.088 -2.839) 8.148 11.305 ( 6.518 -4.600 -3.303) 8.634 11.597 ( -5.038 7.712 0.184) 9.214 11.743 ( -1.617 -6.827 2.929) 7.603 12.619 ( -4.235 3.632 1.203) 5.707 12.665 ( -3.604 -0.509 4.387) 5.700 13.014 ( -6.732 7.145 -5.575) 11.289 13.158 ( -5.256 -6.597 -3.507) 9.135 13.353 ( 5.576 4.935 0.385) 7.456 13.447 ( 6.186 -4.696 -0.144) 7.768 15.409 ( -0.790 4.187 -2.508) 4.944 15.513 ( 0.396 -6.526 -0.500) 6.557 15.899 ( -5.827 12.789 3.977) 14.606 16.132 ( 0.230 -10.240 0.719) 10.268 16.752 ( -9.301 0.582 -1.327) 9.413 16.769 ( -7.439 -1.468 -2.191) 7.892 17.123 ( -3.023 12.411 7.789) 14.961 17.359 ( -6.457 -10.159 6.908) 13.879 17.686 ( 1.601 1.367 -6.932) 7.245 17.752 ( -2.186 -4.773 -9.622) 10.961 19.058 ( 15.846 17.480 2.638) 23.740 19.415 ( 17.118 -18.647 1.125) 25.338 ======================= Grid point 251 (139/170) ======================= q-point: (-0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 7.910 20.758 -0.376) 22.217 2.000 ( -5.758 6.034 -6.394) 10.510 2.064 ( 2.182 -5.143 -3.075) 6.378 2.227 ( 1.643 -11.059 -5.722) 12.559 2.755 ( 4.537 8.502 9.559) 13.574 2.888 ( 1.534 -1.301 1.077) 2.281 2.935 ( -0.186 -0.813 0.725) 1.105 2.992 ( 1.526 -3.076 1.037) 3.587 3.214 ( 5.399 1.014 -3.017) 6.267 3.283 ( 3.696 -7.355 -2.669) 8.653 3.349 ( 0.716 5.264 2.473) 5.860 3.540 ( 2.573 -11.286 3.604) 12.124 4.182 ( 0.706 2.301 3.331) 4.110 4.247 ( 0.293 -4.162 2.572) 4.901 4.530 ( 4.295 4.474 3.711) 7.227 4.616 ( 3.534 -4.204 4.425) 7.053 4.808 ( -0.777 4.164 -1.277) 4.424 4.883 ( -1.151 -3.473 -1.064) 3.810 6.629 ( 5.064 3.221 -1.034) 6.090 6.698 ( 4.621 -3.597 -0.314) 5.864 7.164 ( -3.188 5.416 -1.971) 6.586 7.278 ( -2.499 -5.961 -3.626) 7.411 8.060 ( 0.340 1.201 -3.902) 4.097 8.120 ( -0.748 -4.657 -2.716) 5.443 8.728 ( -0.806 0.049 5.614) 5.672 8.739 ( -2.696 -1.102 4.945) 5.739 8.944 ( 0.794 -0.222 2.025) 2.187 8.990 ( 4.751 -4.553 1.736) 6.806 9.383 ( -1.102 1.225 -0.656) 1.773 9.413 ( 0.138 -1.980 1.283) 2.363 9.798 ( -10.030 3.387 1.315) 10.668 9.851 ( -8.810 -1.878 0.751) 9.040 10.161 ( 3.950 2.484 -1.473) 4.893 10.212 ( 4.361 -2.774 -2.800) 5.878 10.479 ( 1.361 3.606 2.136) 4.406 10.529 ( -0.279 -1.225 2.135) 2.477 10.844 ( 2.633 5.249 2.822) 6.515 10.926 ( 2.504 -2.126 3.392) 4.722 11.224 ( 1.582 1.705 -5.425) 5.902 11.304 ( 0.258 -5.203 -6.292) 8.168 11.543 ( -1.732 10.271 0.954) 10.460 11.746 ( -1.772 -10.265 1.936) 10.595 12.608 ( -2.231 8.103 2.167) 8.679 12.749 ( 0.741 -6.172 6.163) 8.753 12.802 ( -6.127 12.230 -4.760) 14.484 13.018 ( -4.561 -9.325 -2.121) 10.595 13.440 ( 4.734 5.411 -1.130) 7.278 13.529 ( 4.786 -3.848 -2.066) 6.479 15.381 ( 0.595 4.446 -0.736) 4.545 15.490 ( -1.862 -6.441 -0.009) 6.705 15.895 ( -3.039 14.725 7.390) 16.753 16.164 ( 1.626 -10.817 1.851) 11.094 16.525 ( -12.378 1.724 -2.267) 12.701 16.602 ( -6.704 -4.778 -5.876) 10.114 17.087 ( -4.234 5.927 -7.296) 10.309 17.212 ( -10.272 -6.460 -7.614) 14.325 17.704 ( 5.087 3.496 2.819) 6.785 17.784 ( 6.480 -4.220 5.413) 9.439 19.330 ( 11.730 17.098 3.483) 21.026 19.669 ( 12.255 -17.350 -0.428) 21.246 ======================= Grid point 252 (140/170) ======================= q-point: (-0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 1.307 16.164 2.596) 16.423 1.892 ( -1.745 9.070 0.037) 9.237 2.071 ( 4.399 0.354 -1.282) 4.596 2.270 ( 4.835 -13.382 0.495) 14.237 2.691 ( -7.701 8.511 -11.719) 16.404 2.883 ( -2.851 -7.705 -5.925) 10.129 2.939 ( -0.120 5.414 7.377) 9.152 3.089 ( 2.493 -7.940 6.522) 10.573 3.251 ( 3.760 2.192 -3.023) 5.299 3.343 ( 4.838 -6.742 -2.098) 8.559 3.451 ( 4.566 9.850 6.788) 12.804 3.687 ( 4.876 -13.120 8.121) 16.182 4.240 ( 0.424 1.548 4.484) 4.763 4.279 ( -0.413 -2.408 2.702) 3.642 4.546 ( -2.180 5.329 -3.742) 6.867 4.634 ( -2.530 -3.180 -2.605) 4.827 4.845 ( 2.796 1.651 3.578) 4.832 4.887 ( 1.308 -2.269 2.534) 3.644 6.661 ( 1.856 1.945 -3.370) 4.311 6.714 ( -0.230 -3.098 -3.055) 4.357 7.161 ( 2.879 3.800 0.670) 4.814 7.250 ( 2.477 -5.104 -1.561) 5.884 8.035 ( 1.817 0.254 -3.407) 3.870 8.082 ( 0.343 -4.455 -3.049) 5.409 8.676 ( -8.786 -0.434 1.953) 9.010 8.686 ( -7.785 -1.405 0.926) 7.965 9.034 ( 6.481 2.825 1.348) 7.198 9.102 ( 4.738 -3.663 1.024) 6.076 9.379 ( -0.024 1.937 3.224) 3.761 9.430 ( -1.742 -3.512 5.111) 6.441 9.711 ( -4.311 3.387 4.068) 6.827 9.767 ( -2.752 -2.207 2.433) 4.286 10.191 ( 1.161 2.159 -1.518) 2.884 10.237 ( 1.757 -2.564 -2.681) 4.105 10.509 ( 0.779 2.954 1.883) 3.589 10.549 ( -0.289 -1.057 2.858) 3.061 10.937 ( 1.655 5.256 2.892) 6.224 10.963 ( -1.518 2.954 -1.396) 3.602 11.208 ( 2.298 -1.228 -0.812) 2.729 11.261 ( 5.704 -6.096 -2.990) 8.868 11.538 ( -0.403 8.386 0.435) 8.407 11.721 ( -3.044 -10.038 1.018) 10.539 12.476 ( -8.962 6.777 -8.017) 13.803 12.526 ( -9.363 1.921 -8.366) 12.702 12.978 ( 5.916 1.544 10.562) 12.204 13.046 ( 3.605 -4.590 6.361) 8.633 13.481 ( 2.605 5.313 -2.530) 6.435 13.556 ( 2.567 -2.606 -3.936) 5.374 15.430 ( 3.137 2.542 3.700) 5.476 15.484 ( -1.110 -2.522 4.293) 5.101 15.945 ( -2.996 13.663 9.416) 16.862 16.223 ( 2.403 -9.719 2.448) 10.307 16.312 ( -8.490 0.672 -3.755) 9.308 16.439 ( -1.469 -7.619 -9.644) 12.378 16.852 ( -6.007 1.336 -15.384) 16.569 16.902 ( -10.577 -3.941 -13.154) 17.334 17.883 ( 6.183 6.247 8.009) 11.891 17.973 ( 5.379 -2.507 7.510) 9.572 19.523 ( 6.005 13.901 3.941) 15.647 19.808 ( 5.958 -14.898 -2.204) 16.195 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 8.356 0.000 -21.005) 22.606 1.534 ( -8.355 0.000 21.006) 22.607 1.801 ( -1.780 0.000 -24.186) 24.252 1.801 ( 1.780 0.000 24.187) 24.252 2.630 ( 4.986 0.000 -26.408) 26.875 2.630 ( -4.986 0.000 26.408) 26.875 3.328 ( -1.732 0.000 -10.395) 10.539 3.328 ( 1.732 0.000 10.395) 10.538 3.504 ( 4.753 0.000 -11.758) 12.682 3.504 ( -4.753 0.000 11.758) 12.682 3.798 ( -1.597 0.000 -6.907) 7.089 3.798 ( 1.597 0.000 6.907) 7.089 4.372 ( 1.933 0.000 -3.458) 3.961 4.372 ( -1.933 0.000 3.458) 3.961 4.567 ( 0.246 0.000 -1.337) 1.360 4.567 ( -0.246 0.000 1.337) 1.360 5.063 ( 1.495 0.000 -0.530) 1.586 5.063 ( -1.495 0.000 0.530) 1.586 6.727 ( 4.533 0.000 -2.553) 5.203 6.727 ( -4.533 0.000 2.554) 5.203 7.310 ( 1.565 0.000 -7.445) 7.608 7.310 ( -1.565 0.000 7.445) 7.608 8.272 ( -5.930 0.000 0.970) 6.009 8.272 ( 5.930 0.000 -0.970) 6.009 8.825 ( -4.526 0.000 1.313) 4.713 8.825 ( 4.526 0.000 -1.313) 4.713 9.081 ( -8.271 0.000 -2.336) 8.595 9.081 ( 8.271 0.000 2.336) 8.595 9.640 ( -3.347 0.000 -12.290) 12.737 9.640 ( 3.346 0.000 12.289) 12.737 9.694 ( 6.148 0.000 -7.200) 9.468 9.694 ( -6.146 0.000 7.200) 9.467 10.163 ( 0.745 0.000 -2.376) 2.490 10.163 ( -0.745 0.000 2.376) 2.490 10.370 ( -4.283 0.000 0.321) 4.295 10.370 ( 4.284 0.000 -0.321) 4.295 10.671 ( -8.748 0.000 0.641) 8.772 10.671 ( 8.748 0.000 -0.641) 8.772 11.455 ( -6.435 0.000 -12.892) 14.409 11.455 ( 6.435 0.000 12.892) 14.409 11.702 ( 7.448 0.000 -3.899) 8.407 11.702 ( -7.448 0.000 3.899) 8.407 12.285 ( 0.898 0.000 -4.210) 4.304 12.285 ( -0.898 0.000 4.210) 4.304 12.828 ( -8.302 0.000 0.393) 8.311 12.828 ( 8.303 0.000 -0.392) 8.312 13.355 ( -0.231 0.000 -7.275) 7.279 13.355 ( 0.231 0.000 7.275) 7.279 15.286 ( 7.081 0.000 -18.335) 19.654 15.286 ( -7.081 0.000 18.335) 19.654 16.095 ( -1.158 0.000 -15.201) 15.245 16.095 ( 1.158 0.000 15.201) 15.245 16.929 ( 0.148 0.000 -0.430) 0.455 16.929 ( -0.148 0.000 0.430) 0.455 17.076 ( 0.228 0.000 -4.068) 4.074 17.076 ( -0.228 0.000 4.068) 4.074 17.167 ( 3.811 0.000 -7.688) 8.580 17.167 ( -3.811 0.000 7.688) 8.581 20.008 ( -0.390 0.000 -21.615) 21.619 20.008 ( 0.390 0.000 21.615) 21.619 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 11.075 0.000 -20.634) 23.418 1.536 ( 3.768 0.000 -22.579) 22.891 1.665 ( -3.188 0.000 17.181) 17.474 2.139 ( 7.044 0.000 19.787) 21.003 2.410 ( 9.848 0.000 -27.910) 29.597 2.691 ( -11.898 0.000 5.489) 13.103 3.260 ( 2.405 0.000 0.832) 2.545 3.357 ( -7.882 0.000 3.815) 8.757 3.453 ( 2.229 0.000 -9.144) 9.412 3.658 ( 1.598 0.000 15.692) 15.774 3.665 ( -5.351 0.000 -5.647) 7.780 3.901 ( 0.770 0.000 8.909) 8.943 4.348 ( -0.144 0.000 -4.530) 4.533 4.379 ( -0.925 0.000 2.102) 2.297 4.525 ( -2.555 0.000 -1.884) 3.174 4.548 ( -2.609 0.000 -0.016) 2.610 5.051 ( -0.861 0.000 1.103) 1.399 5.079 ( 1.034 0.000 -0.831) 1.327 6.632 ( -9.058 0.000 1.868) 9.249 6.729 ( 0.280 0.000 -2.783) 2.797 7.253 ( 0.513 0.000 -5.313) 5.338 7.359 ( -4.312 0.000 8.689) 9.700 8.264 ( 1.084 0.000 3.372) 3.542 8.417 ( 9.166 0.000 0.765) 9.198 8.794 ( -0.266 0.000 1.506) 1.529 8.894 ( 5.289 0.000 -4.349) 6.847 8.950 ( -2.422 0.000 -0.247) 2.434 9.244 ( 7.165 0.000 1.157) 7.257 9.423 ( -2.662 0.000 -11.261) 11.571 9.625 ( -8.354 0.000 10.393) 13.334 9.748 ( 7.805 0.000 -7.911) 11.113 9.893 ( 6.843 0.000 7.152) 9.898 10.165 ( 3.166 0.000 -2.938) 4.319 10.199 ( 0.907 0.000 3.451) 3.568 10.255 ( -5.218 0.000 -1.308) 5.380 10.299 ( -8.592 0.000 -4.092) 9.516 10.616 ( 0.488 0.000 0.279) 0.563 10.816 ( 9.542 0.000 -4.584) 10.586 11.195 ( -5.879 0.000 -10.279) 11.841 11.564 ( -5.741 0.000 5.473) 7.932 11.760 ( 3.790 0.000 7.920) 8.780 11.817 ( 9.096 0.000 -2.089) 9.332 12.167 ( -3.851 0.000 -9.551) 10.298 12.260 ( -2.805 0.000 0.717) 2.895 12.747 ( -4.379 0.000 3.124) 5.379 12.994 ( 9.388 0.000 1.038) 9.445 13.270 ( -1.190 0.000 -4.768) 4.914 13.441 ( -1.037 0.000 8.720) 8.782 15.236 ( 11.503 0.000 -16.797) 20.358 15.409 ( -2.996 0.000 16.776) 17.041 15.915 ( -0.388 0.000 -12.652) 12.658 16.287 ( 0.729 0.000 14.457) 14.475 16.882 ( -4.071 0.000 -2.003) 4.537 16.888 ( -3.754 0.000 -0.602) 3.802 16.995 ( -5.361 0.000 2.146) 5.775 17.006 ( -8.745 0.000 4.697) 9.927 17.290 ( 6.057 0.000 3.870) 7.188 17.342 ( 16.830 0.000 -0.211) 16.832 19.714 ( -2.794 0.000 -23.514) 23.680 20.212 ( -3.842 0.000 17.931) 18.338 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 11.821 0.000 -20.345) 23.530 1.458 ( 15.984 0.000 -16.152) 22.724 1.805 ( -3.561 0.000 14.416) 14.850 2.290 ( 15.967 0.000 -23.848) 28.699 2.495 ( -9.600 0.000 -1.940) 9.794 2.532 ( 7.878 0.000 18.221) 19.851 3.216 ( -10.198 0.000 -0.369) 10.205 3.276 ( -1.806 0.000 -4.065) 4.448 3.386 ( -2.545 0.000 0.373) 2.572 3.477 ( -9.440 0.000 -4.294) 10.371 3.842 ( -0.709 0.000 11.728) 11.749 4.045 ( 1.498 0.000 11.050) 11.151 4.236 ( -5.210 0.000 -6.116) 8.034 4.381 ( 0.751 0.000 -3.064) 3.154 4.461 ( -2.034 0.000 -1.942) 2.812 4.505 ( -1.358 0.000 1.043) 1.712 5.054 ( -0.468 0.000 0.675) 0.822 5.073 ( 0.173 0.000 -1.910) 1.918 6.503 ( -8.184 0.000 2.509) 8.560 6.699 ( -0.547 0.000 -1.508) 1.604 7.202 ( 0.143 0.000 -4.077) 4.080 7.363 ( -6.637 0.000 8.471) 10.762 8.309 ( -0.862 0.000 0.889) 1.238 8.490 ( 0.075 0.000 -3.590) 3.591 8.876 ( 3.646 0.000 -5.882) 6.920 8.894 ( 7.823 0.000 5.733) 9.699 9.064 ( 8.485 0.000 4.412) 9.564 9.288 ( -2.309 0.000 -0.837) 2.456 9.327 ( 3.695 0.000 -6.212) 7.228 9.650 ( -7.049 0.000 11.833) 13.773 9.769 ( 6.687 0.000 -8.613) 10.904 9.979 ( 1.702 0.000 -1.744) 2.437 10.066 ( -11.072 0.000 -3.884) 11.733 10.170 ( 2.497 0.000 -2.229) 3.347 10.280 ( 1.802 0.000 5.344) 5.640 10.318 ( 9.118 0.000 3.928) 9.928 10.616 ( 1.116 0.000 -3.716) 3.880 10.793 ( 4.448 0.000 -17.670) 18.222 11.120 ( 1.796 0.000 2.489) 3.069 11.525 ( -6.384 0.000 5.995) 8.758 11.803 ( -3.258 0.000 -1.546) 3.606 11.849 ( -6.284 0.000 -2.914) 6.927 12.065 ( 9.228 0.000 -9.653) 13.355 12.303 ( 3.676 0.000 5.541) 6.650 12.738 ( -1.623 0.000 4.692) 4.965 13.124 ( 5.889 0.000 -1.946) 6.202 13.215 ( -0.714 0.000 -1.582) 1.736 13.521 ( -1.650 0.000 8.841) 8.994 15.282 ( 14.755 0.000 -13.600) 20.067 15.561 ( 0.534 0.000 12.555) 12.567 15.806 ( 2.404 0.000 -8.355) 8.694 16.445 ( 1.417 0.000 9.015) 9.126 16.767 ( -6.675 0.000 -1.968) 6.959 16.794 ( -6.724 0.000 -0.411) 6.737 16.921 ( -10.904 0.000 9.802) 14.662 16.958 ( -3.390 0.000 4.288) 5.466 17.426 ( 6.102 0.000 1.333) 6.246 17.663 ( 17.639 0.000 3.402) 17.964 19.395 ( -1.925 0.000 -22.958) 23.038 20.288 ( -8.708 0.000 13.118) 15.745 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 17.870 0.000 -13.631) 22.475 1.616 ( 20.672 0.000 -11.254) 23.537 1.837 ( -9.098 0.000 9.043) 12.827 2.308 ( 9.951 0.000 -12.336) 15.849 2.394 ( -1.052 0.000 0.563) 1.193 2.807 ( 0.288 0.000 9.542) 9.546 3.053 ( -4.187 0.000 -4.637) 6.248 3.137 ( -4.700 0.000 -8.000) 9.278 3.290 ( -8.369 0.000 3.991) 9.272 3.373 ( -4.550 0.000 7.301) 8.603 3.803 ( -11.425 0.000 -2.277) 11.650 4.149 ( -2.657 0.000 7.364) 7.828 4.161 ( 2.413 0.000 1.289) 2.736 4.303 ( -2.281 0.000 -7.303) 7.651 4.403 ( -2.029 0.000 -2.780) 3.442 4.571 ( 4.955 0.000 3.259) 5.931 5.033 ( -1.613 0.000 -1.790) 2.410 5.042 ( -0.210 0.000 -3.110) 3.118 6.437 ( -3.798 0.000 3.735) 5.327 6.672 ( -1.648 0.000 -0.411) 1.698 7.182 ( 2.996 0.000 -3.009) 4.246 7.348 ( -6.374 0.000 8.067) 10.282 8.252 ( -3.772 0.000 -2.341) 4.439 8.389 ( -2.930 0.000 -7.113) 7.693 8.871 ( 4.262 0.000 -6.801) 8.026 9.145 ( 9.404 0.000 4.870) 10.590 9.199 ( -0.739 0.000 2.682) 2.782 9.202 ( -4.991 0.000 2.990) 5.818 9.421 ( 8.328 0.000 4.736) 9.581 9.570 ( -12.466 0.000 4.414) 13.224 9.766 ( 1.848 0.000 -7.401) 7.628 9.921 ( 2.795 0.000 -3.334) 4.351 10.003 ( 0.955 0.000 0.568) 1.112 10.204 ( 3.363 0.000 -2.449) 4.161 10.388 ( 3.248 0.000 6.292) 7.080 10.484 ( 2.552 0.000 0.656) 2.635 10.565 ( 0.153 0.000 -6.357) 6.359 10.740 ( 13.324 0.000 -10.313) 16.849 11.220 ( 6.429 0.000 2.286) 6.823 11.458 ( -9.014 0.000 3.058) 9.519 11.652 ( -9.437 0.000 -4.251) 10.350 11.728 ( -0.894 0.000 -0.857) 1.239 12.119 ( 7.364 0.000 -9.077) 11.689 12.432 ( 2.105 0.000 5.262) 5.667 12.819 ( 2.586 0.000 7.006) 7.468 13.139 ( 1.098 0.000 -4.858) 4.980 13.220 ( 1.823 0.000 1.429) 2.316 13.585 ( -1.791 0.000 6.655) 6.892 15.402 ( 15.447 0.000 -10.129) 18.472 15.717 ( 3.987 0.000 7.776) 8.739 15.816 ( 7.153 0.000 -3.446) 7.940 16.519 ( 2.027 0.000 -2.450) 3.180 16.600 ( -11.604 0.000 -0.424) 11.612 16.655 ( -9.186 0.000 -0.243) 9.189 16.905 ( -10.267 0.000 19.302) 21.863 16.982 ( -0.726 0.000 5.857) 5.902 17.518 ( 5.243 0.000 -1.838) 5.555 17.949 ( 10.703 0.000 1.266) 10.778 19.166 ( 4.913 0.000 -17.781) 18.447 20.225 ( -13.174 0.000 8.044) 15.436 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 20.184 0.000 -5.236) 20.852 1.752 ( -8.169 0.000 4.853) 9.502 1.840 ( 20.859 0.000 -13.118) 24.641 2.258 ( -8.573 0.000 0.693) 8.601 2.436 ( 1.548 0.000 2.700) 3.112 2.775 ( -5.381 0.000 -8.166) 9.780 2.872 ( -8.997 0.000 3.140) 9.529 2.962 ( -5.860 0.000 -5.355) 7.939 3.401 ( -3.046 0.000 7.825) 8.397 3.434 ( 9.446 0.000 10.590) 14.191 3.557 ( -8.680 0.000 -5.916) 10.504 4.139 ( -8.436 0.000 4.000) 9.336 4.161 ( 0.300 0.000 -9.334) 9.339 4.262 ( 4.531 0.000 0.295) 4.541 4.334 ( -1.111 0.000 -0.685) 1.305 4.681 ( 1.845 0.000 3.066) 3.579 4.961 ( -2.280 0.000 -3.788) 4.421 4.999 ( -0.064 0.000 -3.795) 3.795 6.455 ( -0.125 0.000 4.221) 4.222 6.629 ( -2.618 0.000 -0.561) 2.678 7.232 ( 6.003 0.000 -2.461) 6.488 7.339 ( -5.106 0.000 6.819) 8.518 8.164 ( -3.054 0.000 -1.828) 3.559 8.259 ( -2.018 0.000 -7.426) 7.695 8.857 ( 2.877 0.000 -5.631) 6.323 9.069 ( -6.299 0.000 -1.163) 6.406 9.168 ( -3.906 0.000 2.622) 4.705 9.361 ( -4.255 0.000 1.234) 4.430 9.439 ( -1.325 0.000 8.829) 8.928 9.625 ( 5.857 0.000 4.906) 7.640 9.701 ( 1.507 0.000 -2.438) 2.866 10.011 ( 0.207 0.000 -0.220) 0.302 10.019 ( 7.263 0.000 -1.058) 7.340 10.184 ( -0.040 0.000 -5.802) 5.803 10.474 ( -0.184 0.000 -1.607) 1.617 10.492 ( 0.633 0.000 -6.480) 6.511 10.552 ( 8.714 0.000 5.401) 10.252 10.889 ( 8.102 0.000 -1.522) 8.244 11.310 ( -9.547 0.000 0.286) 9.551 11.341 ( -1.124 0.000 -2.477) 2.721 11.531 ( 5.262 0.000 2.444) 5.802 11.761 ( 2.249 0.000 2.643) 3.471 12.108 ( 4.637 0.000 -8.547) 9.724 12.454 ( -4.850 0.000 1.375) 5.041 12.934 ( 1.771 0.000 4.705) 5.028 13.076 ( -1.096 0.000 -4.439) 4.572 13.317 ( 5.453 0.000 4.158) 6.858 13.607 ( -2.528 0.000 3.068) 3.975 15.563 ( 15.193 0.000 -6.062) 16.358 15.878 ( 6.858 0.000 4.027) 7.953 15.956 ( 10.861 0.000 0.259) 10.864 16.361 ( -13.455 0.000 -2.446) 13.676 16.475 ( -3.144 0.000 -3.742) 4.888 16.485 ( -10.628 0.000 -0.147) 10.630 17.005 ( -6.732 0.000 20.507) 21.584 17.064 ( 2.237 0.000 5.357) 5.805 17.568 ( 4.806 0.000 -3.246) 5.799 17.992 ( -1.344 0.000 -6.873) 7.004 19.198 ( 15.631 0.000 -7.155) 17.191 20.041 ( -16.564 0.000 3.700) 16.972 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -1.045 0.000 7.151) 7.227 1.868 ( 0.154 0.000 -14.033) 14.034 2.019 ( 20.810 0.000 1.590) 20.871 2.225 ( 4.868 0.000 3.147) 5.796 2.419 ( -5.973 0.000 -1.432) 6.142 2.436 ( -19.104 0.000 -3.806) 19.480 2.874 ( 0.111 0.000 -0.258) 0.281 2.889 ( -0.450 0.000 1.907) 1.959 3.425 ( -2.668 0.000 3.839) 4.675 3.427 ( -0.482 0.000 -2.809) 2.850 3.716 ( 11.166 0.000 6.591) 12.966 3.955 ( -9.849 0.000 -4.216) 10.713 4.141 ( 1.866 0.000 -0.924) 2.082 4.203 ( -3.612 0.000 -2.825) 4.585 4.465 ( 8.510 0.000 4.075) 9.436 4.645 ( -6.840 0.000 -2.128) 7.163 4.923 ( 0.547 0.000 0.398) 0.676 4.955 ( -0.175 0.000 -3.278) 3.283 6.514 ( 1.431 0.000 3.474) 3.757 6.575 ( -2.113 0.000 -1.867) 2.820 7.299 ( 5.269 0.000 -3.254) 6.192 7.330 ( -4.278 0.000 4.882) 6.491 8.124 ( -1.121 0.000 1.397) 1.791 8.160 ( -0.664 0.000 -5.223) 5.266 8.865 ( 4.285 0.000 -2.117) 4.779 8.951 ( -6.860 0.000 0.185) 6.862 9.166 ( 0.373 0.000 2.266) 2.297 9.234 ( -5.149 0.000 -1.721) 5.429 9.559 ( -1.116 0.000 8.923) 8.992 9.620 ( 2.910 0.000 -8.401) 8.891 9.864 ( 4.067 0.000 10.959) 11.690 10.004 ( 0.099 0.000 -4.153) 4.154 10.076 ( 0.333 0.000 0.320) 0.462 10.095 ( -0.619 0.000 -5.578) 5.613 10.452 ( 1.589 0.000 -3.524) 3.866 10.455 ( -1.212 0.000 0.423) 1.283 10.793 ( 13.777 0.000 1.473) 13.856 10.952 ( -3.703 0.000 4.097) 5.523 11.175 ( -8.052 0.000 3.108) 8.631 11.180 ( -2.311 0.000 -9.336) 9.618 11.764 ( 7.136 0.000 6.592) 9.715 11.825 ( 1.706 0.000 0.819) 1.893 12.123 ( 9.415 0.000 -5.965) 11.146 12.303 ( -12.180 0.000 -0.789) 12.205 12.989 ( 0.514 0.000 2.358) 2.413 13.022 ( -0.637 0.000 -2.324) 2.410 13.463 ( 5.563 0.000 3.475) 6.559 13.567 ( -3.956 0.000 -0.511) 3.988 15.776 ( 15.367 0.000 -1.727) 15.464 15.985 ( -3.670 0.000 -0.446) 3.697 16.149 ( 9.860 0.000 0.689) 9.884 16.154 ( -3.814 0.000 2.584) 4.606 16.306 ( -10.000 0.000 0.779) 10.030 16.349 ( -5.641 0.000 -4.721) 7.355 17.118 ( -4.717 0.000 14.116) 14.883 17.145 ( 4.043 0.000 -2.606) 4.810 17.640 ( 5.717 0.000 2.204) 6.128 17.816 ( -6.169 0.000 -9.021) 10.929 19.458 ( 19.217 0.000 -1.408) 19.269 19.769 ( -18.664 0.000 1.090) 18.696 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.137 4.118 -20.334) 21.940 1.581 ( -7.136 4.117 20.335) 21.941 1.781 ( -1.980 -0.357 -23.310) 23.397 1.781 ( 1.980 -0.357 23.310) 23.397 2.726 ( 5.308 8.428 -23.905) 25.897 2.726 ( -5.308 8.428 23.905) 25.897 3.294 ( -2.067 -4.718 -10.107) 11.344 3.294 ( 2.067 -4.718 10.108) 11.344 3.443 ( 6.702 -3.796 -5.586) 9.514 3.443 ( -6.702 -3.796 5.586) 9.514 3.811 ( -1.620 0.126 -9.146) 9.289 3.811 ( 1.620 0.126 9.146) 9.289 4.360 ( 1.169 -1.026 -2.084) 2.600 4.360 ( -1.169 -1.026 2.084) 2.600 4.552 ( -1.208 -1.469 -1.908) 2.694 4.552 ( 1.208 -1.469 1.908) 2.694 5.046 ( -0.866 -1.648 -0.407) 1.906 5.046 ( 0.866 -1.648 0.407) 1.906 6.718 ( 1.297 -0.913 -1.216) 1.999 6.718 ( -1.297 -0.912 1.217) 1.999 7.297 ( 1.493 -1.037 -7.264) 7.488 7.297 ( -1.493 -1.036 7.264) 7.488 8.246 ( -6.124 -2.613 0.468) 6.675 8.246 ( 6.124 -2.614 -0.468) 6.675 8.791 ( -0.914 -3.323 -0.755) 3.528 8.791 ( 0.915 -3.323 0.755) 3.528 9.091 ( -7.671 0.569 -1.595) 7.856 9.091 ( 7.671 0.569 1.595) 7.856 9.605 ( -5.616 -1.523 -2.996) 6.545 9.605 ( 5.616 -1.523 2.997) 6.545 9.742 ( -5.132 2.840 -3.056) 6.614 9.742 ( 5.133 2.840 3.056) 6.614 10.197 ( 0.454 1.716 -3.605) 4.018 10.197 ( -0.454 1.716 3.605) 4.018 10.378 ( -2.962 1.857 -1.034) 3.646 10.378 ( 2.963 1.857 1.035) 3.646 10.683 ( -8.095 1.343 0.172) 8.208 10.683 ( 8.095 1.343 -0.172) 8.208 11.458 ( -6.853 0.143 -11.803) 13.649 11.458 ( 6.853 0.143 11.803) 13.649 11.715 ( -3.737 0.772 -1.983) 4.301 11.715 ( 3.737 0.772 1.983) 4.301 12.218 ( -2.834 -5.222 -4.291) 7.329 12.218 ( 2.834 -5.222 4.291) 7.329 12.924 ( -5.317 8.495 0.105) 10.023 12.924 ( 5.318 8.495 -0.104) 10.023 13.347 ( -0.387 -0.686 -7.527) 7.568 13.347 ( 0.387 -0.686 7.527) 7.568 15.340 ( 6.397 5.332 -16.909) 18.849 15.340 ( -6.397 5.332 16.909) 18.849 16.079 ( -1.435 -1.614 -15.700) 15.847 16.079 ( 1.435 -1.614 15.700) 15.848 16.730 ( -3.735 -13.481 -5.235) 14.937 16.730 ( 3.735 -13.481 5.235) 14.937 17.010 ( -5.352 -5.512 -2.620) 8.117 17.010 ( 5.351 -5.512 2.621) 8.117 17.395 ( 3.594 15.538 -3.599) 16.350 17.395 ( -3.594 15.538 3.599) 16.350 19.979 ( -0.533 -2.900 -20.669) 20.878 19.979 ( 0.533 -2.900 20.669) 20.878 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.062 -1.386 -21.359) 22.246 1.548 ( 6.778 4.183 -20.597) 22.083 1.718 ( -2.336 5.002 16.367) 17.273 2.121 ( 6.982 -1.187 21.021) 22.182 2.506 ( 6.167 8.517 -25.331) 27.426 2.740 ( -10.202 4.505 0.187) 11.154 3.261 ( 1.702 -0.757 3.506) 3.970 3.335 ( -6.090 -2.713 1.036) 6.747 3.406 ( -0.868 -4.457 -2.304) 5.092 3.553 ( 2.627 -6.936 11.241) 13.467 3.662 ( -4.591 -0.913 -7.316) 8.686 3.949 ( 1.372 2.480 10.914) 11.276 4.329 ( -1.117 -1.726 -2.382) 3.147 4.361 ( -0.389 -1.377 -1.863) 2.349 4.493 ( -3.012 -2.937 -0.735) 4.270 4.568 ( -1.170 1.615 0.811) 2.153 5.022 ( -1.236 -2.708 0.221) 2.985 5.061 ( 0.794 -1.760 -0.841) 2.106 6.623 ( -8.330 -0.797 1.626) 8.525 6.738 ( 0.728 0.736 -1.795) 2.072 7.230 ( -0.917 -2.022 -4.801) 5.289 7.345 ( -3.263 -1.251 7.260) 8.058 8.219 ( 0.106 -4.376 2.825) 5.209 8.382 ( 7.061 -3.623 1.110) 8.013 8.772 ( 0.934 -1.976 1.935) 2.919 8.873 ( 7.209 -2.337 -2.749) 8.061 8.962 ( -4.038 1.211 -0.442) 4.239 9.240 ( 6.789 -0.809 0.167) 6.839 9.434 ( -4.320 0.816 -7.664) 8.835 9.645 ( -4.840 1.663 4.770) 6.996 9.733 ( 7.654 -0.491 -4.809) 9.052 9.877 ( 3.639 -2.049 4.016) 5.794 10.148 ( -1.811 -0.868 -1.925) 2.782 10.239 ( -2.815 -0.635 2.681) 3.939 10.293 ( 0.576 5.695 -1.784) 5.995 10.369 ( -3.427 7.287 -2.275) 8.368 10.608 ( -0.330 -0.422 0.132) 0.552 10.829 ( 9.444 1.247 -3.962) 10.317 11.211 ( -5.966 1.909 -9.487) 11.369 11.586 ( -7.033 -4.448 3.216) 8.921 11.689 ( 4.342 3.797 8.257) 10.072 11.902 ( 11.116 -2.663 0.077) 11.431 12.044 ( -7.861 -1.921 -4.758) 9.388 12.269 ( 1.493 -2.085 -2.287) 3.436 12.859 ( -3.690 10.267 1.947) 11.083 13.043 ( 7.311 4.191 0.244) 8.431 13.258 ( -1.125 -1.102 -4.902) 5.148 13.438 ( -0.881 -0.278 8.704) 8.753 15.283 ( 8.982 4.796 -14.719) 17.898 15.452 ( -2.118 3.896 13.496) 14.206 15.902 ( 0.466 -1.143 -11.875) 11.939 16.285 ( 1.477 -0.298 14.534) 14.612 16.577 ( -8.035 -16.490 -2.399) 18.500 16.797 ( -5.149 -9.936 7.929) 13.715 16.960 ( 3.026 -2.979 -2.932) 5.160 17.178 ( 6.216 0.355 3.635) 7.209 17.396 ( 0.237 9.152 3.574) 9.828 17.415 ( 4.528 12.753 -2.133) 13.700 19.691 ( -3.315 -2.283 -22.594) 22.950 20.173 ( -3.943 -3.959 17.083) 17.974 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.646 -5.126 -19.475) 22.329 1.527 ( 14.935 5.869 -15.233) 22.126 1.858 ( -2.532 4.998 12.883) 14.048 2.373 ( 5.509 4.426 -15.166) 16.731 2.480 ( 8.320 -0.878 15.573) 17.678 2.558 ( -1.782 5.134 -6.802) 8.706 3.169 ( -10.453 -3.392 -0.107) 10.991 3.312 ( -4.963 -6.006 1.338) 7.906 3.321 ( -2.086 1.923 -7.388) 7.914 3.501 ( -7.008 1.226 -1.051) 7.191 3.722 ( 0.414 -9.452 11.625) 14.989 4.073 ( -3.546 -0.470 6.074) 7.049 4.244 ( -2.189 1.562 -2.375) 3.588 4.334 ( 1.171 -3.665 -2.073) 4.371 4.454 ( -1.403 -1.125 -0.999) 2.057 4.542 ( -1.007 3.320 -0.635) 3.527 5.008 ( -1.073 -4.371 -0.166) 4.504 5.055 ( 0.402 -1.806 -1.375) 2.305 6.504 ( -7.685 0.179 2.278) 8.018 6.723 ( -0.406 2.154 -1.010) 2.413 7.160 ( -1.482 -3.616 -2.895) 4.863 7.359 ( -4.326 -0.563 6.517) 7.842 8.248 ( -1.178 -5.641 0.682) 5.803 8.440 ( -0.085 -4.972 -1.501) 5.194 8.862 ( 5.112 -2.724 4.347) 7.242 8.898 ( 4.114 1.402 -5.416) 6.944 9.075 ( 10.769 1.018 5.680) 12.217 9.256 ( -2.761 -2.708 -2.183) 4.441 9.325 ( -0.850 -0.954 -3.923) 4.126 9.656 ( -4.341 0.545 5.805) 7.269 9.782 ( 5.914 1.149 -6.203) 8.647 9.938 ( 4.229 -3.896 -2.513) 6.275 10.062 ( -5.780 -0.110 -1.491) 5.971 10.184 ( -2.441 0.498 0.760) 2.604 10.353 ( 1.484 6.784 4.595) 8.327 10.366 ( 6.077 4.252 0.358) 7.425 10.604 ( 2.321 -0.106 -5.358) 5.839 10.820 ( 2.671 2.577 -14.728) 15.189 11.134 ( 2.463 1.827 1.845) 3.579 11.518 ( -6.794 -3.846 4.605) 9.064 11.764 ( -8.283 -5.790 0.064) 10.106 11.833 ( -0.495 1.932 -2.255) 3.011 12.122 ( 10.007 7.850 -3.307) 13.141 12.282 ( 3.740 -2.808 1.123) 4.809 12.844 ( -1.315 9.530 3.504) 10.238 13.127 ( 3.433 -0.543 -3.057) 4.629 13.218 ( 0.944 0.715 -0.706) 1.379 13.517 ( -1.649 -0.371 8.551) 8.717 15.296 ( 10.001 1.614 -10.987) 14.945 15.565 ( 2.804 0.132 4.811) 5.570 15.850 ( 4.124 4.310 -3.205) 6.771 16.393 ( -2.685 -13.554 -4.981) 14.687 16.484 ( -4.200 -3.934 14.931) 16.001 16.782 ( -7.576 -6.233 8.507) 12.985 16.962 ( -0.314 2.155 -2.042) 2.986 17.215 ( -5.395 14.430 4.758) 16.123 17.430 ( 3.277 3.334 -0.801) 4.743 17.635 ( 15.501 -2.589 4.520) 16.353 19.368 ( -3.016 -2.581 -22.325) 22.676 20.237 ( -8.949 -5.175 12.417) 16.157 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 14.432 -9.324 -12.874) 21.470 1.678 ( 19.453 5.819 -10.233) 22.737 1.887 ( -9.008 4.767 8.061) 12.994 2.331 ( 0.837 0.018 -0.764) 1.134 2.506 ( 8.624 11.182 -10.188) 17.413 2.769 ( 0.894 -3.191 11.129) 11.612 3.009 ( -3.838 -3.463 -3.287) 6.126 3.144 ( -6.812 -0.664 -9.119) 11.401 3.189 ( -8.576 -6.206 2.972) 10.995 3.441 ( -4.142 3.119 5.965) 7.904 3.748 ( -9.467 -5.672 -0.069) 11.036 3.987 ( -3.555 -9.016 3.821) 10.418 4.240 ( 1.113 0.439 -2.183) 2.490 4.333 ( -1.527 2.715 -2.411) 3.939 4.396 ( -1.495 0.138 -2.454) 2.877 4.579 ( 4.177 0.993 2.525) 4.980 4.966 ( -1.506 -5.439 -3.182) 6.479 5.046 ( -0.167 -0.829 -1.081) 1.372 6.437 ( -3.909 0.035 3.086) 4.980 6.689 ( -2.736 1.372 -0.820) 3.168 7.145 ( 3.100 -2.808 -1.040) 4.310 7.361 ( -4.034 0.942 6.107) 7.380 8.191 ( -3.850 -5.305 -1.522) 6.729 8.369 ( -2.405 -1.981 -5.564) 6.377 8.895 ( 4.267 1.788 -6.883) 8.293 9.056 ( 7.460 -8.193 6.622) 12.909 9.157 ( -5.839 -3.394 1.071) 6.838 9.226 ( -2.804 1.246 1.130) 3.270 9.393 ( 7.654 -2.615 6.591) 10.434 9.566 ( -7.012 -0.494 0.452) 7.044 9.788 ( 1.115 2.132 -6.241) 6.688 9.926 ( 3.130 0.521 -2.440) 4.003 10.050 ( 1.039 3.590 1.180) 3.919 10.191 ( 1.221 -1.275 0.892) 1.978 10.411 ( 2.225 0.808 0.610) 2.444 10.522 ( 4.261 5.517 1.549) 7.141 10.582 ( 7.390 -2.223 -5.030) 9.212 10.696 ( 2.963 1.064 -11.344) 11.773 11.233 ( 4.989 1.267 0.917) 5.229 11.444 ( -7.165 -2.383 3.471) 8.310 11.570 ( -9.014 -7.779 -3.050) 12.291 11.842 ( -0.143 10.235 2.231) 10.476 12.162 ( 5.653 3.751 -9.198) 11.429 12.419 ( 4.827 -0.062 5.134) 7.047 12.904 ( 1.679 7.467 5.249) 9.280 13.115 ( 0.971 -2.524 -3.791) 4.657 13.244 ( 1.774 2.063 0.621) 2.791 13.574 ( -2.083 -1.098 6.252) 6.681 15.357 ( 9.672 -3.352 -6.696) 12.232 15.684 ( 9.607 -1.038 -1.263) 9.745 15.944 ( 6.334 9.470 2.758) 11.722 16.257 ( -6.343 -18.054 -2.891) 19.353 16.568 ( -3.585 1.648 4.210) 5.770 16.742 ( -7.623 -0.186 8.338) 11.299 16.944 ( -0.842 1.519 3.102) 3.555 17.162 ( -8.558 15.921 7.784) 19.680 17.488 ( 4.687 -1.806 -1.626) 5.280 17.919 ( 10.804 -3.138 2.247) 11.473 19.119 ( 3.175 -4.562 -17.818) 18.665 20.163 ( -13.451 -6.356 7.488) 16.656 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 15.151 -14.279 -5.852) 21.626 1.778 ( -10.413 2.408 4.186) 11.478 1.905 ( 20.197 5.839 -9.399) 23.029 2.342 ( -3.797 3.103 3.338) 5.932 2.522 ( -0.658 10.234 -0.413) 10.263 2.792 ( -0.345 1.270 -7.348) 7.465 2.823 ( -10.500 -4.291 1.555) 11.450 2.949 ( -6.605 -1.331 -5.079) 8.438 3.267 ( 3.233 -8.548 11.574) 14.747 3.483 ( 1.918 0.322 3.645) 4.131 3.532 ( -8.104 -2.335 -3.896) 9.290 3.999 ( -5.201 -10.344 4.279) 12.343 4.190 ( 0.432 2.398 -8.365) 8.713 4.296 ( 2.636 -1.796 1.033) 3.352 4.347 ( -2.248 3.211 -2.000) 4.400 4.669 ( 1.148 -0.967 1.380) 2.039 4.901 ( -0.684 -4.823 -2.955) 5.697 5.016 ( -0.895 0.446 -2.371) 2.574 6.438 ( -0.702 -1.519 3.283) 3.685 6.618 ( -3.794 -1.187 -1.312) 4.186 7.229 ( 6.856 0.290 -0.535) 6.883 7.367 ( -3.322 2.593 5.463) 6.900 8.117 ( -3.184 -3.763 0.094) 4.930 8.256 ( -1.615 -0.481 -7.444) 7.633 8.878 ( 3.235 1.448 -6.674) 7.556 9.040 ( -5.745 -2.551 -0.601) 6.315 9.139 ( -4.713 -4.318 4.335) 7.724 9.305 ( 1.004 -4.963 3.629) 6.230 9.364 ( -5.092 -4.617 4.811) 8.390 9.635 ( 4.464 -1.100 -3.293) 5.655 9.754 ( 2.177 4.768 4.453) 6.878 9.994 ( 4.243 -0.310 -1.421) 4.486 10.060 ( -0.146 2.633 0.502) 2.685 10.200 ( 0.289 0.748 -3.155) 3.256 10.447 ( 2.694 0.308 -1.500) 3.098 10.554 ( 5.770 1.777 -4.849) 7.744 10.601 ( 1.531 4.963 -1.384) 5.375 10.791 ( 10.408 -6.755 0.257) 12.411 11.220 ( -5.552 -3.629 -1.489) 6.798 11.329 ( -11.392 -4.568 -1.759) 12.399 11.525 ( 5.950 -0.447 4.112) 7.246 11.872 ( -0.203 6.468 1.482) 6.638 12.161 ( 6.733 6.672 -6.304) 11.384 12.500 ( -0.781 4.598 1.855) 5.019 12.979 ( 0.461 4.175 3.404) 5.406 13.078 ( -0.003 -0.286 -3.647) 3.658 13.317 ( 4.259 0.100 3.444) 5.479 13.586 ( -2.953 -2.173 2.806) 4.617 15.477 ( 11.172 -6.264 -2.612) 13.071 15.854 ( 12.327 -0.652 -2.179) 12.535 16.071 ( -2.305 -2.792 0.981) 3.751 16.144 ( 2.184 -3.110 0.776) 3.878 16.446 ( -11.290 2.058 0.885) 11.510 16.707 ( -3.621 8.728 -1.841) 9.627 17.018 ( 0.435 0.472 9.215) 9.237 17.143 ( -6.666 9.087 11.499) 16.101 17.542 ( 4.569 -2.076 -2.038) 5.417 17.976 ( -1.177 -1.613 -6.575) 6.872 19.123 ( 14.557 -7.462 -7.155) 17.854 19.968 ( -16.773 -7.361 3.250) 18.603 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 7.612 -14.039 -4.177) 16.507 1.690 ( -5.538 -4.628 4.524) 8.518 2.122 ( 17.817 6.368 -7.264) 20.268 2.315 ( -4.448 4.992 3.666) 7.625 2.433 ( -9.886 5.066 3.140) 11.543 2.537 ( -7.302 6.706 -6.786) 12.014 2.849 ( 0.482 -1.987 0.937) 2.249 2.874 ( -0.121 -1.163 0.737) 1.382 3.382 ( -0.995 -4.104 4.461) 6.143 3.411 ( -1.259 -2.076 -1.910) 3.089 3.638 ( 9.412 -6.423 4.148) 12.126 3.857 ( -10.115 -8.423 -3.556) 13.635 4.176 ( 3.927 3.215 -0.916) 5.158 4.260 ( -4.422 3.638 -1.845) 6.016 4.425 ( 7.323 -3.793 4.004) 9.168 4.599 ( -6.066 -4.288 -4.406) 8.637 4.911 ( 1.616 -1.036 1.968) 2.749 4.966 ( -1.167 0.487 -3.023) 3.277 6.480 ( 1.180 -3.126 2.921) 4.438 6.542 ( -2.680 -3.015 -2.147) 4.570 7.327 ( 5.709 2.924 -1.937) 6.701 7.368 ( -3.491 3.751 3.950) 6.470 8.100 ( -1.434 -1.993 3.753) 4.485 8.154 ( -0.308 -0.681 -6.820) 6.861 8.873 ( 3.966 0.575 -3.337) 5.214 8.939 ( -6.172 -1.036 0.863) 6.318 9.139 ( -0.353 -3.004 3.323) 4.493 9.204 ( -4.300 -2.941 -2.205) 5.657 9.487 ( 0.503 -6.184 9.497) 11.344 9.584 ( 1.605 -3.729 -9.269) 10.119 9.914 ( 3.730 3.715 8.925) 10.362 10.012 ( 0.204 0.886 -1.577) 1.820 10.063 ( -0.921 -0.840 1.902) 2.274 10.122 ( -1.034 2.540 -7.667) 8.143 10.475 ( 1.926 3.210 0.013) 3.743 10.516 ( -0.664 4.823 -3.407) 5.942 10.782 ( 13.526 -2.740 2.646) 14.052 10.939 ( 3.508 -1.395 2.978) 4.809 11.079 ( -7.871 -6.310 -4.796) 11.170 11.108 ( -8.771 -5.945 -1.118) 10.655 11.699 ( 5.736 -3.193 6.064) 8.937 11.832 ( -2.988 -1.840 -3.653) 5.065 12.270 ( 10.037 13.105 -0.647) 16.520 12.431 ( -7.392 10.770 -0.971) 13.098 13.011 ( 0.223 2.027 1.988) 2.848 13.040 ( -0.501 1.627 -2.107) 2.709 13.440 ( 5.059 -2.273 2.977) 6.294 13.539 ( -4.137 -2.874 -0.438) 5.056 15.669 ( 12.539 -7.877 0.758) 14.828 15.891 ( -10.614 -9.448 -2.226) 14.384 16.047 ( 11.831 -3.155 -2.923) 12.588 16.210 ( -9.633 -1.555 3.229) 10.278 16.372 ( 6.272 12.405 4.218) 14.526 16.565 ( -7.311 12.929 -5.476) 15.830 17.133 ( 1.285 1.430 6.131) 6.425 17.174 ( -2.454 3.458 4.580) 6.241 17.622 ( 5.235 -1.632 3.226) 6.362 17.800 ( -5.936 -1.482 -9.556) 11.347 19.375 ( 18.932 -8.341 -1.048) 20.715 19.688 ( -18.702 -8.078 0.683) 20.383 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 3.019 4.938 -19.165) 20.020 1.665 ( -3.018 4.938 19.166) 20.020 1.850 ( -0.435 7.387 -18.291) 19.731 1.850 ( 0.435 7.387 18.291) 19.732 2.879 ( 1.629 4.376 -16.474) 17.123 2.879 ( -1.629 4.376 16.474) 17.123 3.138 ( 0.615 -8.505 -9.567) 12.815 3.138 ( -0.615 -8.505 9.567) 12.815 3.420 ( 1.424 0.503 -6.191) 6.372 3.420 ( -1.424 0.503 6.191) 6.372 3.776 ( -2.289 -3.221 -11.380) 12.047 3.776 ( 2.289 -3.221 11.380) 12.047 4.349 ( -2.233 0.190 -0.313) 2.263 4.349 ( 2.233 0.190 0.313) 2.263 4.508 ( -3.598 -3.025 -4.046) 6.202 4.508 ( 3.598 -3.025 4.046) 6.202 5.008 ( -1.104 -1.940 -0.911) 2.411 5.008 ( 1.104 -1.940 0.911) 2.411 6.690 ( -3.837 -1.949 -0.249) 4.311 6.690 ( 3.837 -1.949 0.249) 4.311 7.278 ( 1.369 -0.912 -6.533) 6.737 7.278 ( -1.369 -0.912 6.533) 6.737 8.173 ( -6.632 -4.644 -0.038) 8.096 8.173 ( 6.632 -4.644 0.039) 8.096 8.709 ( -1.067 -4.731 -1.065) 4.965 8.709 ( 1.067 -4.731 1.065) 4.965 9.098 ( -5.549 0.408 -1.073) 5.667 9.098 ( 5.549 0.408 1.073) 5.667 9.590 ( -7.982 -0.632 0.504) 8.023 9.590 ( 7.982 -0.632 -0.504) 8.023 9.790 ( -2.109 2.352 -3.914) 5.030 9.790 ( 2.109 2.352 3.914) 5.030 10.177 ( -0.890 -3.035 -2.673) 4.141 10.177 ( 0.891 -3.035 2.673) 4.141 10.466 ( -2.951 5.976 -2.655) 7.174 10.466 ( 2.951 5.976 2.655) 7.174 10.728 ( -7.299 3.350 -0.124) 8.032 10.728 ( 7.299 3.350 0.124) 8.032 11.444 ( -2.042 -2.013 -5.799) 6.469 11.444 ( 2.042 -2.013 5.799) 6.469 11.719 ( 3.738 -0.375 -8.068) 8.900 11.719 ( -3.738 -0.375 8.068) 8.900 12.140 ( -0.665 -1.978 -5.983) 6.336 12.140 ( 0.665 -1.978 5.983) 6.336 13.107 ( 0.534 9.376 -1.581) 9.524 13.107 ( -0.534 9.376 1.582) 9.524 13.336 ( -0.983 -0.190 -8.174) 8.235 13.336 ( 0.983 -0.190 8.174) 8.235 15.475 ( 5.318 7.899 -13.411) 16.448 15.475 ( -5.318 7.899 13.411) 16.448 16.036 ( -1.489 -2.542 -16.725) 16.983 16.036 ( 1.489 -2.542 16.725) 16.983 16.490 ( -3.952 -10.502 -9.061) 14.423 16.490 ( 3.952 -10.502 9.062) 14.423 16.863 ( -4.984 -9.383 -2.654) 10.951 16.863 ( 4.984 -9.383 2.654) 10.951 17.700 ( -0.094 15.291 -2.398) 15.478 17.700 ( 0.094 15.291 2.398) 15.478 19.901 ( -0.841 -4.890 -17.797) 18.476 19.901 ( 0.841 -4.890 17.797) 18.476 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 1.409 4.117 -19.039) 19.530 1.681 ( 4.185 8.089 -13.912) 16.628 1.835 ( 0.350 6.485 12.306) 13.914 2.140 ( 7.020 3.864 17.168) 18.946 2.631 ( -6.824 1.720 -10.944) 13.011 2.866 ( -0.003 8.264 -13.696) 15.996 3.179 ( 1.897 -7.222 5.805) 9.458 3.231 ( -5.579 -9.891 8.270) 14.048 3.311 ( -2.856 -0.876 0.374) 3.010 3.497 ( 1.836 -0.878 1.050) 2.290 3.612 ( -3.553 -4.172 -8.451) 10.072 3.956 ( 2.113 -1.318 11.688) 11.951 4.303 ( -1.671 -0.440 -1.087) 2.042 4.347 ( -2.647 -0.203 -4.417) 5.153 4.418 ( -1.183 -4.130 -0.010) 4.296 4.595 ( 1.498 0.718 3.008) 3.436 4.961 ( -2.307 -3.061 -1.582) 4.147 5.018 ( 0.300 -2.339 -0.982) 2.555 6.605 ( -6.329 -0.993 1.289) 6.535 6.746 ( 1.831 -0.338 0.328) 1.891 7.192 ( -3.165 -1.490 -4.483) 5.687 7.315 ( -1.999 -1.859 4.747) 5.476 8.111 ( -2.075 -6.186 2.367) 6.941 8.278 ( 2.570 -6.808 1.836) 7.505 8.729 ( 3.978 -2.248 2.613) 5.264 8.813 ( 9.142 -3.446 -1.444) 9.876 8.988 ( -4.008 1.259 -0.318) 4.213 9.208 ( 4.559 -2.101 -0.599) 5.055 9.443 ( -6.226 0.022 -4.531) 7.700 9.687 ( 3.182 2.696 -3.486) 5.436 9.743 ( 4.781 0.519 -0.178) 4.812 9.814 ( -1.339 -3.385 -2.040) 4.173 10.130 ( -2.601 -0.761 -0.210) 2.718 10.203 ( -3.715 -2.488 4.817) 6.572 10.420 ( 3.161 6.292 -4.321) 8.262 10.532 ( 0.421 7.995 0.489) 8.021 10.622 ( -2.422 2.613 0.488) 3.596 10.865 ( 8.575 2.538 -2.870) 9.392 11.274 ( -5.282 4.376 -7.594) 10.233 11.441 ( -5.695 -7.775 3.502) 10.253 11.690 ( -3.330 -12.465 -3.285) 13.314 11.845 ( 3.652 7.657 9.929) 13.059 12.112 ( 6.072 1.718 -2.115) 6.655 12.235 ( 4.398 1.810 -0.345) 4.769 13.076 ( -2.751 10.261 0.988) 10.669 13.131 ( 2.116 4.765 -3.346) 6.195 13.236 ( -0.651 -0.824 -4.176) 4.306 13.436 ( -0.662 0.195 8.412) 8.440 15.408 ( 3.450 7.188 -10.621) 13.281 15.535 ( -1.144 4.220 5.040) 6.672 15.886 ( 3.022 -0.012 -8.536) 9.056 16.268 ( -1.633 -4.008 18.016) 18.529 16.297 ( -4.594 -8.987 -6.263) 11.878 16.620 ( -3.589 -7.794 11.608) 14.435 16.843 ( 7.026 -8.433 -3.939) 11.662 17.068 ( 13.801 -8.945 3.348) 16.783 17.612 ( -6.185 12.164 0.205) 13.648 17.723 ( -0.556 15.935 -0.546) 15.954 19.634 ( -4.586 -3.102 -19.570) 20.338 20.063 ( -4.230 -7.114 14.595) 16.779 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 3.405 2.612 -16.610) 17.156 1.667 ( 11.526 7.921 -10.150) 17.280 1.969 ( -0.096 5.377 9.031) 10.511 2.382 ( -3.375 -0.877 2.183) 4.114 2.490 ( 0.665 1.365 11.240) 11.342 2.747 ( 9.685 11.036 -17.650) 22.958 3.095 ( -12.281 -3.934 2.110) 13.067 3.174 ( -5.283 -7.014 0.307) 8.786 3.323 ( -1.986 -2.240 -5.970) 6.679 3.486 ( -3.959 -3.948 0.973) 5.675 3.543 ( -0.405 -7.663 6.591) 10.116 3.997 ( -8.119 -6.456 -0.346) 10.379 4.245 ( -1.163 -1.649 -3.162) 3.751 4.325 ( 2.033 2.708 5.292) 6.282 4.419 ( 0.330 -1.936 -0.845) 2.138 4.616 ( 0.240 3.887 -1.812) 4.295 4.906 ( -2.447 -5.448 -1.085) 6.070 5.008 ( 0.611 -2.831 -1.245) 3.152 6.515 ( -6.183 1.016 1.729) 6.500 6.762 ( -0.598 1.155 0.083) 1.303 7.095 ( -2.394 -2.336 -2.051) 3.924 7.336 ( -1.444 -1.837 4.352) 4.940 8.118 ( -1.525 -7.035 1.366) 7.327 8.311 ( -0.404 -7.947 2.593) 8.369 8.805 ( 0.847 -2.461 2.181) 3.396 8.912 ( 5.510 -0.155 -5.290) 7.640 9.081 ( 12.418 -1.299 4.366) 13.227 9.194 ( -4.595 -3.814 -0.991) 6.054 9.302 ( -4.013 -0.099 -3.581) 5.380 9.660 ( -4.872 -1.127 -2.469) 5.577 9.790 ( 7.965 -0.837 -5.215) 9.557 9.876 ( 8.994 -0.711 -0.548) 9.039 10.066 ( -4.407 0.688 0.219) 4.466 10.177 ( -4.971 -1.131 4.681) 6.921 10.437 ( 2.169 2.702 -4.081) 5.353 10.517 ( -0.910 9.516 3.086) 10.045 10.639 ( 4.575 2.933 -5.207) 7.527 10.882 ( 2.004 3.448 -10.061) 10.822 11.202 ( 2.755 5.391 0.598) 6.083 11.397 ( -5.392 -7.014 5.190) 10.257 11.541 ( -8.478 -12.877 -2.530) 15.624 11.989 ( -0.046 6.899 7.247) 10.005 12.224 ( 7.337 0.034 -4.322) 8.515 12.312 ( 8.046 10.249 -0.134) 13.031 13.025 ( -2.262 5.498 -1.119) 6.050 13.111 ( 0.664 1.154 -2.283) 2.643 13.234 ( 1.779 0.739 -0.072) 1.927 13.508 ( -1.884 -0.614 7.562) 7.818 15.336 ( 0.716 1.848 -6.785) 7.068 15.582 ( 6.967 2.552 -3.465) 8.189 15.929 ( 5.708 0.418 -0.601) 5.755 16.119 ( -8.024 -8.243 0.161) 11.505 16.482 ( 3.187 0.560 11.782) 12.218 16.670 ( -5.112 -4.884 11.088) 13.150 16.938 ( 6.980 -4.304 -3.776) 9.027 17.318 ( 6.667 -1.755 2.732) 7.416 17.573 ( 3.588 2.288 3.310) 5.391 17.675 ( -4.014 12.975 0.297) 13.584 19.312 ( -5.856 -2.496 -19.728) 20.730 20.093 ( -9.572 -9.394 10.398) 16.970 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.167 -2.982 -11.409) 13.308 1.820 ( 16.213 8.103 -5.534) 18.951 1.994 ( -8.503 5.137 5.711) 11.459 2.316 ( -2.772 -1.250 3.808) 4.873 2.634 ( 4.800 -1.546 0.968) 5.135 2.822 ( 5.447 11.477 -2.217) 12.896 2.933 ( -4.303 -4.723 0.978) 6.464 3.043 ( -9.609 -5.867 0.311) 11.263 3.142 ( -5.756 -1.676 -9.901) 11.575 3.451 ( -3.327 -2.191 3.385) 5.228 3.590 ( -5.666 -9.978 3.548) 12.011 3.818 ( -6.996 -8.392 0.450) 10.935 4.211 ( 1.326 -1.869 -3.185) 3.924 4.364 ( -2.888 0.217 -2.433) 3.782 4.411 ( 0.478 0.579 -1.280) 1.483 4.623 ( 3.311 3.708 0.648) 5.013 4.841 ( -2.397 -6.795 -3.258) 7.907 5.014 ( 0.486 -2.380 -0.129) 2.433 6.446 ( -4.080 1.107 1.408) 4.456 6.704 ( -5.114 -0.345 -1.461) 5.330 7.114 ( 5.316 0.169 1.107) 5.432 7.372 ( -0.553 0.059 4.815) 4.848 8.081 ( -3.386 -5.351 0.805) 6.383 8.314 ( -0.983 -3.803 -1.496) 4.204 8.865 ( 1.702 -8.518 3.789) 9.477 8.922 ( 3.905 -1.136 -5.578) 6.903 9.076 ( -5.895 -4.425 -0.414) 7.382 9.207 ( -1.044 -3.726 -1.355) 4.100 9.365 ( 5.135 0.576 5.674) 7.674 9.537 ( -1.414 -2.841 -3.173) 4.488 9.843 ( 1.176 3.307 -3.905) 5.250 9.943 ( 3.405 1.306 -1.493) 3.941 10.097 ( 4.963 0.572 1.465) 5.206 10.157 ( -3.851 -1.693 4.653) 6.273 10.418 ( 3.809 -0.519 -5.144) 6.422 10.538 ( 2.449 1.177 -5.206) 5.873 10.657 ( 3.862 6.674 -0.505) 7.728 10.792 ( 0.082 6.439 -6.393) 9.074 11.269 ( 0.129 2.296 -0.673) 2.396 11.373 ( -8.781 -8.986 1.616) 12.668 11.400 ( 0.178 -3.720 3.402) 5.044 11.999 ( -4.346 2.060 1.851) 5.153 12.270 ( 6.913 9.476 -5.325) 12.882 12.478 ( 8.068 6.228 2.600) 10.519 13.013 ( 2.149 -1.502 -0.778) 2.734 13.096 ( -1.456 5.066 0.420) 5.288 13.271 ( 2.171 0.152 0.658) 2.273 13.542 ( -2.936 -2.213 5.044) 6.242 15.308 ( 3.380 -1.398 -3.102) 4.796 15.695 ( 11.112 2.425 -3.825) 11.999 15.925 ( -5.102 -14.888 -0.846) 15.761 16.121 ( 4.078 6.771 4.228) 8.964 16.623 ( 1.061 4.065 2.883) 5.095 16.730 ( -2.802 0.180 12.027) 12.350 16.954 ( 1.715 -0.550 -3.304) 3.762 17.372 ( -0.769 2.506 3.821) 4.634 17.562 ( -5.907 11.230 0.081) 12.688 17.826 ( 11.178 -6.320 4.920) 13.751 19.017 ( -2.076 -4.802 -17.034) 17.820 19.986 ( -14.166 -11.496 5.909) 19.177 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 9.059 -10.313 -5.191) 14.675 1.822 ( -14.790 1.192 1.727) 14.938 2.051 ( 16.868 8.608 -4.538) 19.474 2.364 ( -0.827 0.456 6.674) 6.740 2.675 ( -11.355 -4.601 3.686) 12.794 2.768 ( 5.466 6.945 -1.779) 9.015 2.833 ( -1.995 1.752 -8.835) 9.225 2.914 ( -8.244 -1.867 -5.261) 9.956 3.123 ( 3.220 -4.833 11.247) 12.658 3.435 ( -2.025 -4.773 -5.091) 7.266 3.469 ( -3.474 -4.295 2.263) 5.970 3.793 ( -4.858 -10.168 5.055) 12.351 4.215 ( 2.660 -0.959 -3.567) 4.552 4.259 ( -1.603 -0.396 -2.589) 3.070 4.381 ( -0.829 -0.350 -3.038) 3.168 4.647 ( -1.767 -1.959 -4.894) 5.559 4.804 ( 1.733 -3.753 1.834) 4.523 5.005 ( -0.854 -1.585 -1.115) 2.118 6.411 ( -1.777 -0.767 1.165) 2.259 6.587 ( -5.438 -1.771 -2.258) 6.149 7.259 ( 8.674 2.797 1.698) 9.270 7.426 ( -0.106 3.060 4.848) 5.733 8.049 ( -2.749 -2.701 3.177) 4.995 8.244 ( -1.073 -0.466 -6.646) 6.749 8.865 ( 2.316 -3.666 -6.457) 7.778 8.959 ( -4.542 -12.025 8.539) 15.432 9.006 ( -0.959 -1.124 -1.328) 1.987 9.214 ( -0.227 -4.521 1.733) 4.847 9.317 ( -5.429 -0.302 0.804) 5.497 9.567 ( 3.237 -5.772 -7.360) 9.898 9.850 ( 1.245 4.798 6.120) 7.875 10.002 ( 2.882 1.156 0.130) 3.108 10.117 ( -3.283 3.244 0.306) 4.625 10.186 ( 3.373 -1.816 0.420) 3.854 10.466 ( 8.917 -4.220 -5.587) 11.337 10.518 ( 3.092 1.326 -3.309) 4.719 10.691 ( 0.400 3.338 -5.736) 6.648 10.793 ( 4.773 6.217 3.562) 8.610 11.184 ( -9.378 -5.278 -1.225) 10.830 11.199 ( -8.454 -3.101 -1.580) 9.142 11.523 ( 5.132 0.531 4.773) 7.028 11.911 ( -4.712 -1.480 -3.069) 5.815 12.370 ( 8.739 12.768 0.112) 15.472 12.616 ( 4.968 6.763 1.384) 8.505 13.051 ( 2.735 -2.468 -1.356) 3.926 13.073 ( -2.017 4.995 1.339) 5.551 13.321 ( 1.979 0.038 1.757) 2.646 13.524 ( -4.023 -4.034 2.024) 6.046 15.383 ( 7.166 -2.900 0.353) 7.738 15.810 ( -3.175 -11.443 -1.235) 11.939 15.863 ( 8.555 -0.623 -1.700) 8.744 16.228 ( 0.571 0.991 4.010) 4.170 16.585 ( -3.163 12.520 -0.586) 12.927 16.813 ( 0.852 3.408 1.878) 3.983 17.018 ( 6.743 -0.238 2.517) 7.201 17.361 ( -9.241 9.999 7.699) 15.641 17.516 ( 0.547 0.456 1.497) 1.657 17.940 ( 0.044 -1.509 -4.533) 4.778 18.930 ( 10.362 -11.372 -7.362) 17.056 19.764 ( -17.311 -13.241 1.982) 21.885 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.394 -12.648 -1.473) 17.087 1.584 ( -14.167 -6.604 0.634) 15.643 2.261 ( 14.295 7.725 -5.275) 17.084 2.398 ( -5.709 4.506 4.298) 8.449 2.516 ( -6.360 1.011 5.928) 8.753 2.647 ( -5.630 3.304 -9.609) 11.616 2.835 ( 1.388 1.311 2.412) 3.077 2.870 ( 1.435 1.383 -0.220) 2.005 3.271 ( 0.484 -6.730 7.738) 10.267 3.345 ( -1.451 -4.798 -3.413) 6.065 3.519 ( 6.813 -5.111 0.478) 8.531 3.687 ( -9.233 -7.946 -1.768) 12.309 4.225 ( 3.520 1.282 0.356) 3.763 4.299 ( -1.936 -0.754 0.787) 2.222 4.339 ( 3.750 -3.909 1.024) 5.513 4.496 ( -5.358 -5.818 -7.735) 11.063 4.885 ( 2.710 -1.359 3.429) 4.577 4.960 ( -1.971 -1.196 -2.448) 3.362 6.419 ( 0.856 -2.426 1.776) 3.126 6.482 ( -3.581 -2.615 -2.423) 5.053 7.405 ( 6.565 4.667 -0.068) 8.055 7.460 ( -2.110 5.080 3.001) 6.266 8.068 ( -1.645 -0.634 6.549) 6.783 8.143 ( 0.066 0.131 -8.396) 8.398 8.856 ( 3.585 -3.275 -2.904) 5.658 8.913 ( -4.848 -3.036 0.565) 5.748 9.039 ( 0.017 -6.290 6.170) 8.811 9.134 ( -3.952 -3.788 -4.059) 6.815 9.367 ( 1.137 -5.100 7.877) 9.452 9.480 ( 0.197 -6.430 -9.810) 11.731 9.968 ( 3.742 1.941 4.024) 5.828 10.046 ( -1.935 2.408 0.682) 3.164 10.064 ( -1.150 1.118 5.316) 5.553 10.172 ( -0.327 2.255 -7.988) 8.307 10.557 ( 3.343 4.124 0.456) 5.328 10.617 ( 0.971 4.561 -4.045) 6.173 10.644 ( 11.349 -9.441 1.970) 14.894 10.905 ( -7.182 -6.151 -0.789) 9.489 10.959 ( -1.106 -0.356 0.576) 1.297 11.077 ( -6.061 1.281 -1.903) 6.481 11.657 ( 4.128 -0.992 5.137) 6.664 11.786 ( -4.288 -2.155 -4.891) 6.852 12.538 ( 8.017 13.024 2.455) 15.490 12.650 ( -1.666 10.760 -1.284) 10.963 13.057 ( -0.382 2.406 1.313) 2.767 13.072 ( 0.351 1.122 -1.227) 1.699 13.382 ( 3.222 -3.270 1.540) 4.842 13.460 ( -4.433 -4.947 -0.288) 6.649 15.537 ( 8.694 -5.292 2.015) 10.375 15.695 ( -7.473 -9.463 -1.182) 12.116 16.018 ( 11.172 -0.323 -2.639) 11.484 16.173 ( -9.871 -1.728 2.151) 10.250 16.629 ( 4.679 12.226 4.988) 14.009 16.773 ( -2.486 7.562 -6.274) 10.135 17.181 ( 10.217 4.106 -1.676) 11.138 17.290 ( -10.948 7.892 9.503) 16.506 17.592 ( 3.371 -0.947 6.197) 7.118 17.777 ( -5.528 -0.016 -10.791) 12.124 19.147 ( 17.838 -14.577 -0.082) 23.037 19.466 ( -18.734 -14.437 -0.456) 23.656 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.645 8.928 -13.459) 16.235 1.801 ( -1.645 8.928 13.459) 16.235 2.021 ( -1.100 9.245 -12.477) 15.568 2.021 ( 1.100 9.245 12.477) 15.568 2.770 ( -5.935 -12.785 -9.524) 17.011 2.770 ( 5.936 -12.785 9.524) 17.011 3.100 ( 3.908 2.546 -8.685) 9.858 3.100 ( -3.908 2.546 8.685) 9.858 3.399 ( 3.284 -4.019 -5.919) 7.872 3.399 ( -3.284 -4.019 5.919) 7.872 3.751 ( -3.482 2.191 -13.337) 13.957 3.751 ( 3.482 2.191 13.337) 13.957 4.350 ( 1.290 -1.366 -1.850) 2.637 4.350 ( -1.290 -1.366 1.850) 2.637 4.450 ( -3.696 -1.763 -5.748) 7.057 4.450 ( 3.696 -1.763 5.748) 7.057 4.981 ( -0.985 -0.725 -0.947) 1.547 4.981 ( 0.985 -0.725 0.947) 1.547 6.645 ( -3.489 -2.517 -0.640) 4.349 6.645 ( 3.489 -2.517 0.640) 4.350 7.262 ( 1.124 -0.742 -4.570) 4.765 7.262 ( -1.124 -0.742 4.571) 4.765 8.079 ( -5.501 -4.619 -0.192) 7.185 8.079 ( 5.501 -4.619 0.192) 7.185 8.622 ( -1.096 -3.795 -0.710) 4.013 8.622 ( 1.096 -3.795 0.710) 4.013 9.114 ( -3.576 1.302 -0.755) 3.879 9.114 ( 3.576 1.302 0.755) 3.879 9.558 ( -5.585 -2.734 -1.011) 6.300 9.558 ( 5.585 -2.734 1.011) 6.300 9.845 ( 0.392 3.239 -4.902) 5.889 9.845 ( -0.392 3.239 4.902) 5.889 10.119 ( -0.203 -2.396 -1.137) 2.660 10.119 ( 0.203 -2.396 1.137) 2.660 10.568 ( -1.696 4.203 -2.375) 5.117 10.568 ( 1.696 4.203 2.376) 5.117 10.803 ( -6.525 3.661 0.286) 7.488 10.803 ( 6.526 3.661 -0.286) 7.488 11.385 ( -4.688 -3.500 -0.404) 5.864 11.385 ( 4.688 -3.500 0.404) 5.865 11.705 ( -6.361 -0.838 -10.635) 12.421 11.705 ( 6.361 -0.839 10.635) 12.421 12.138 ( -2.074 1.099 -6.407) 6.823 12.138 ( 2.074 1.099 6.407) 6.823 13.249 ( -1.512 4.127 -2.549) 5.081 13.249 ( 1.512 4.127 2.549) 5.081 13.358 ( -1.712 3.091 -7.164) 7.988 13.358 ( 1.712 3.091 7.164) 7.988 15.622 ( 5.088 6.448 -9.689) 12.702 15.622 ( -5.088 6.448 9.689) 12.702 15.995 ( 0.304 -1.115 -15.764) 15.806 15.995 ( -0.304 -1.115 15.764) 15.806 16.338 ( -2.718 -4.879 -11.927) 13.170 16.338 ( 2.718 -4.879 11.927) 13.170 16.658 ( -4.072 -11.297 -3.662) 12.555 16.658 ( 4.072 -11.297 3.662) 12.555 17.968 ( -1.644 11.685 -2.830) 12.135 17.968 ( 1.645 11.685 2.831) 12.135 19.802 ( -0.957 -4.915 -12.649) 13.604 19.802 ( 0.957 -4.915 12.649) 13.604 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -2.265 12.575 -12.145) 17.629 1.828 ( -0.772 6.800 -4.774) 8.344 1.961 ( 0.987 5.952 4.380) 7.456 2.268 ( 8.210 8.852 11.102) 16.401 2.550 ( -8.884 -9.767 -4.380) 13.911 2.933 ( -1.576 -7.468 2.740) 8.109 3.028 ( 2.035 -1.722 -0.062) 2.667 3.143 ( 0.105 0.442 -0.646) 0.790 3.302 ( -6.891 -1.490 0.903) 7.108 3.430 ( -0.005 -6.238 -0.690) 6.276 3.551 ( -2.530 0.504 -11.864) 12.141 3.926 ( -0.298 -2.238 7.331) 7.671 4.294 ( -2.941 -1.470 -1.521) 3.623 4.325 ( -0.766 -0.376 -1.852) 2.039 4.400 ( 1.051 2.015 -0.389) 2.306 4.584 ( 3.314 -1.940 5.852) 7.000 4.921 ( -3.135 -0.800 -3.043) 4.442 4.979 ( -0.401 -1.570 -1.528) 2.227 6.590 ( -3.543 -0.376 1.309) 3.796 6.715 ( 2.417 -2.827 1.982) 4.215 7.180 ( -4.021 0.238 -3.878) 5.592 7.275 ( -1.527 -2.162 2.111) 3.386 8.002 ( -4.037 -4.388 2.710) 6.549 8.134 ( -1.082 -7.458 2.632) 7.982 8.692 ( 7.474 -1.424 2.367) 7.968 8.747 ( 11.040 -3.118 -0.777) 11.499 9.010 ( -5.213 1.169 0.032) 5.343 9.168 ( -0.173 -2.155 -0.479) 2.215 9.442 ( -3.743 0.422 -4.110) 5.575 9.664 ( 4.982 -5.412 -4.201) 8.471 9.762 ( 2.499 3.092 -6.693) 7.785 9.816 ( -1.883 1.958 -1.328) 3.024 10.123 ( -1.563 -0.020 1.977) 2.521 10.160 ( -2.471 -1.651 6.165) 6.844 10.515 ( 0.831 3.775 -4.190) 5.701 10.627 ( 4.150 1.942 -1.699) 4.887 10.733 ( -4.075 7.554 3.130) 9.136 10.922 ( 6.579 2.763 -0.899) 7.192 11.271 ( -6.363 -5.642 0.256) 8.508 11.409 ( -1.391 3.140 -0.513) 3.472 11.468 ( -8.214 -7.072 -6.787) 12.788 11.888 ( 3.233 -4.373 5.174) 7.507 12.165 ( 8.956 6.296 1.340) 11.029 12.318 ( 8.834 4.049 5.210) 11.027 13.175 ( -1.803 1.790 -5.671) 6.214 13.200 ( -3.698 0.142 -7.013) 7.930 13.302 ( -1.022 7.467 2.218) 7.856 13.447 ( -1.017 0.836 7.158) 7.278 15.512 ( -5.115 3.023 -6.664) 8.928 15.619 ( 2.587 3.618 -5.109) 6.774 15.908 ( 0.829 2.540 -2.707) 3.804 16.129 ( -6.538 -3.295 5.021) 8.878 16.266 ( 6.647 -0.242 6.371) 9.210 16.502 ( -2.533 -4.437 12.706) 13.695 16.655 ( 9.715 -10.029 -3.472) 14.388 16.867 ( 13.888 -11.177 5.010) 18.518 17.845 ( -7.334 11.319 -3.507) 13.936 17.985 ( -1.676 10.165 -0.957) 10.347 19.590 ( -5.817 -0.899 -13.553) 14.776 19.906 ( -4.714 -8.726 10.423) 14.388 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.832 13.287 -9.856) 16.981 1.813 ( 6.541 6.762 -3.619) 10.080 2.036 ( 0.652 1.057 4.516) 4.684 2.348 ( -7.840 -4.694 0.489) 9.151 2.547 ( 3.084 5.272 11.751) 13.244 2.858 ( -0.904 0.290 -4.533) 4.631 3.052 ( -5.694 -4.915 2.383) 7.891 3.085 ( -3.151 1.384 -3.834) 5.152 3.252 ( -0.964 -4.260 -0.677) 4.420 3.375 ( -1.774 -5.184 -3.838) 6.690 3.422 ( -2.641 -4.582 -1.235) 5.432 3.846 ( -9.103 -8.762 -3.514) 13.114 4.239 ( -0.991 0.992 -3.260) 3.549 4.345 ( 1.000 -1.075 1.361) 2.002 4.429 ( 1.230 3.576 2.301) 4.427 4.674 ( 2.027 1.122 0.976) 2.514 4.822 ( -3.873 -2.287 -2.964) 5.386 4.953 ( 0.349 -2.768 -1.793) 3.316 6.546 ( -3.968 2.156 1.359) 4.716 6.748 ( -1.574 -2.566 0.948) 3.156 7.088 ( -1.131 1.576 -1.251) 2.308 7.288 ( 0.263 -3.081 2.826) 4.189 7.999 ( -1.724 -4.663 3.180) 5.901 8.149 ( -1.182 -8.155 5.325) 9.811 8.782 ( -0.931 0.266 0.219) 0.993 8.895 ( 7.574 -1.364 -5.185) 9.279 9.029 ( 7.806 -3.153 -0.245) 8.422 9.102 ( -5.633 -5.273 0.149) 7.718 9.340 ( -1.631 3.289 -2.632) 4.517 9.586 ( -3.730 -5.365 -6.192) 9.002 9.801 ( 9.192 2.072 -3.542) 10.066 9.887 ( 8.136 0.554 -0.625) 8.179 10.089 ( -4.552 1.464 1.462) 5.000 10.151 ( -5.778 -1.272 5.242) 7.905 10.487 ( 1.258 2.807 -4.437) 5.399 10.661 ( 2.377 0.097 -6.680) 7.091 10.712 ( -1.160 8.810 3.459) 9.536 10.949 ( 1.913 3.368 -5.426) 6.666 11.256 ( -2.480 -6.154 7.429) 9.961 11.292 ( -4.505 -7.443 -2.533) 9.061 11.376 ( -1.373 6.174 -0.124) 6.326 11.951 ( 0.177 -7.633 1.631) 7.807 12.378 ( 10.365 11.990 2.571) 16.057 12.500 ( 7.608 8.609 1.685) 11.612 13.014 ( -3.665 -2.585 -8.460) 9.575 13.143 ( 0.938 -2.298 -0.747) 2.592 13.294 ( -2.449 5.797 1.323) 6.431 13.492 ( -2.696 -1.090 5.910) 6.586 15.361 ( -3.476 1.336 -4.762) 6.045 15.631 ( 5.255 -1.495 -4.015) 6.780 15.849 ( -4.403 0.124 -1.837) 4.772 16.130 ( 0.335 3.090 4.466) 5.441 16.490 ( 7.434 0.297 8.549) 11.333 16.598 ( 2.777 -2.741 6.689) 7.744 16.835 ( 9.398 -4.650 2.251) 10.724 17.196 ( 15.724 -9.552 5.970) 19.342 17.669 ( -7.966 7.594 -2.032) 11.192 17.895 ( -5.813 7.320 -3.128) 9.857 19.304 ( -9.165 2.453 -13.425) 16.439 19.882 ( -10.368 -12.021 7.157) 17.413 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -4.805 9.958 -7.319) 13.260 1.966 ( 11.941 6.492 0.906) 13.622 2.036 ( -8.979 -2.157 3.280) 9.799 2.273 ( -2.351 -3.922 5.677) 7.289 2.624 ( -2.965 2.367 1.624) 4.127 2.843 ( -4.522 -2.672 5.825) 7.843 2.950 ( -4.416 -2.107 -3.215) 5.855 3.011 ( -0.920 0.545 -1.055) 1.503 3.132 ( -1.059 3.952 -10.548) 11.313 3.372 ( -2.289 -6.162 3.817) 7.601 3.385 ( -2.360 -8.974 0.139) 9.280 3.661 ( -6.597 -7.533 -0.737) 10.041 4.191 ( 0.512 -0.097 -3.811) 3.847 4.342 ( -0.788 -2.709 -1.493) 3.192 4.426 ( -1.942 2.111 -4.014) 4.934 4.691 ( -0.025 -0.835 -3.082) 3.193 4.741 ( -0.814 0.179 -0.529) 0.987 4.959 ( 0.838 -3.124 0.174) 3.239 6.484 ( -4.001 2.778 -0.167) 4.874 6.673 ( -5.877 -2.494 -1.356) 6.526 7.151 ( 6.723 3.210 2.611) 7.895 7.357 ( 2.600 -1.763 4.692) 5.646 8.002 ( -2.093 -2.382 3.681) 4.858 8.216 ( 1.290 -6.253 3.900) 7.482 8.733 ( -3.547 -3.894 0.571) 5.299 8.875 ( -1.477 -4.040 -7.079) 8.284 9.011 ( -0.006 -1.914 -1.550) 2.462 9.118 ( 3.079 -4.676 -3.758) 6.743 9.383 ( 1.653 0.589 2.329) 2.916 9.462 ( -1.625 -4.160 -4.086) 6.053 9.911 ( 3.925 3.584 -0.999) 5.408 9.979 ( 2.808 2.235 -0.685) 3.653 10.085 ( 4.389 -1.041 0.016) 4.510 10.123 ( -2.811 -2.196 6.386) 7.315 10.429 ( -1.138 2.337 -6.691) 7.178 10.584 ( 0.678 1.831 -5.122) 5.481 10.758 ( 2.111 3.816 -0.462) 4.385 10.909 ( 0.112 4.606 -3.430) 5.743 11.181 ( -7.108 -8.056 1.353) 10.828 11.280 ( -5.108 -1.949 3.597) 6.544 11.434 ( 6.167 6.454 1.942) 9.135 11.935 ( -2.575 -6.474 -0.776) 7.011 12.498 ( 5.007 11.359 -1.881) 12.555 12.640 ( 7.023 10.297 0.318) 12.468 12.928 ( 2.251 -5.380 -2.265) 6.256 13.192 ( 1.472 -0.153 2.119) 2.585 13.263 ( -1.272 1.935 0.725) 2.427 13.489 ( -4.167 -3.136 3.461) 6.259 15.307 ( 0.889 1.404 -0.704) 1.804 15.663 ( -1.917 -10.572 0.917) 10.784 15.796 ( 4.001 6.378 -2.638) 7.978 16.183 ( -0.907 -0.691 4.346) 4.493 16.697 ( 8.640 2.345 3.317) 9.547 16.780 ( 10.341 3.968 5.356) 12.303 16.946 ( 1.402 2.029 -1.329) 2.802 17.399 ( 1.509 1.216 1.424) 2.405 17.680 ( 5.629 -7.096 7.445) 11.724 17.739 ( -5.239 3.709 -2.905) 7.046 18.988 ( -9.653 3.155 -12.449) 16.066 19.728 ( -15.026 -14.724 3.460) 21.320 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -1.012 1.893 -3.983) 4.524 1.783 ( -19.484 -6.136 -0.623) 20.437 2.205 ( 11.928 6.087 2.224) 13.575 2.381 ( 3.291 1.240 7.069) 7.896 2.564 ( -6.436 -3.447 2.866) 7.844 2.823 ( -0.658 -1.260 -0.084) 1.424 2.851 ( -0.135 -0.102 -4.195) 4.199 2.895 ( -7.277 -0.725 -3.530) 8.120 3.124 ( -0.478 3.057 5.185) 6.038 3.308 ( -3.197 -7.779 -2.815) 8.868 3.392 ( 2.974 -2.253 -0.852) 3.827 3.623 ( -3.911 -7.178 4.976) 9.570 4.177 ( 1.948 -1.865 -2.053) 3.390 4.275 ( -3.565 0.868 -2.848) 4.645 4.338 ( 0.298 -2.814 -5.951) 6.589 4.568 ( -4.004 -5.322 -8.285) 10.630 4.798 ( 2.511 2.276 3.134) 4.616 4.962 ( -0.532 -2.599 -0.479) 2.696 6.420 ( -2.597 1.679 -0.585) 3.147 6.553 ( -5.536 -1.762 -2.161) 6.198 7.327 ( 8.870 3.807 3.295) 10.200 7.468 ( 3.054 0.867 4.967) 5.895 8.029 ( -1.118 0.913 5.803) 5.980 8.242 ( 1.236 -0.059 -3.718) 3.919 8.707 ( -3.120 -10.994 5.302) 12.598 8.769 ( -1.730 -6.485 -4.086) 7.857 9.001 ( 1.518 -0.048 -4.168) 4.436 9.127 ( 0.918 -4.371 -0.787) 4.536 9.321 ( -4.959 0.174 0.019) 4.963 9.436 ( 0.752 -6.577 -6.282) 9.126 9.936 ( -0.885 4.054 5.253) 6.694 10.031 ( -0.254 1.444 3.287) 3.599 10.148 ( 5.177 -0.535 1.243) 5.351 10.192 ( 0.557 3.075 -1.149) 3.329 10.364 ( 5.714 -3.413 -5.846) 8.859 10.564 ( 1.900 0.299 -3.883) 4.334 10.736 ( -1.825 1.729 -2.801) 3.764 10.912 ( 2.829 2.901 0.055) 4.052 11.039 ( -10.599 -3.853 -0.862) 11.311 11.207 ( -6.266 0.057 0.899) 6.331 11.562 ( 5.153 3.907 2.832) 7.059 11.858 ( -3.520 -3.468 -2.978) 5.770 12.589 ( 6.794 8.686 1.643) 11.149 12.744 ( 7.018 5.534 -1.072) 9.002 13.005 ( 4.751 -0.841 1.731) 5.126 13.160 ( -4.472 3.664 -0.026) 5.781 13.307 ( 2.009 -1.619 1.501) 2.985 13.436 ( -5.004 -4.790 1.134) 7.019 15.362 ( 3.926 0.536 2.215) 4.540 15.605 ( -4.786 -8.568 1.221) 9.890 15.899 ( 8.386 3.395 -0.671) 9.072 16.196 ( -3.122 -3.495 3.610) 5.916 16.826 ( 4.156 6.954 -4.063) 9.063 16.878 ( -2.418 4.410 -0.718) 5.080 17.050 ( 16.395 6.958 0.732) 17.826 17.447 ( -0.285 1.381 4.945) 5.142 17.566 ( -8.619 1.536 2.590) 9.130 17.919 ( 5.412 -2.360 2.619) 6.459 18.751 ( -1.213 -4.283 -7.853) 9.027 19.468 ( -17.901 -16.774 0.088) 24.532 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 9.113 -6.266 -0.618) 11.077 1.436 ( -18.474 -8.498 -1.413) 20.384 2.378 ( 6.174 2.455 0.762) 6.688 2.469 ( -4.929 -0.138 1.249) 5.087 2.525 ( 5.694 4.712 2.620) 7.841 2.688 ( -8.693 2.974 -2.853) 9.621 2.867 ( 5.364 0.477 -2.282) 5.849 2.894 ( -0.310 -0.521 3.781) 3.829 3.157 ( -1.041 -4.343 4.881) 6.616 3.230 ( -2.606 -6.466 -3.277) 7.703 3.459 ( 5.931 -0.789 -0.209) 5.987 3.570 ( -6.452 -4.055 0.511) 7.638 4.207 ( 2.600 -3.416 0.349) 4.307 4.242 ( -1.093 -2.959 3.228) 4.514 4.287 ( 1.595 -2.248 -3.546) 4.491 4.394 ( -4.654 -4.285 -7.930) 10.144 4.872 ( 2.189 0.112 2.627) 3.422 4.930 ( -1.651 -1.547 -1.670) 2.812 6.399 ( 0.363 0.318 0.672) 0.827 6.449 ( -3.543 -0.856 -2.003) 4.159 7.488 ( 6.102 3.524 1.360) 7.177 7.540 ( -0.558 2.686 2.364) 3.622 8.095 ( -0.767 3.741 8.081) 8.937 8.182 ( 0.882 4.111 -8.565) 9.541 8.737 ( -3.846 -11.527 7.064) 14.056 8.738 ( 3.711 -9.801 -4.135) 11.266 8.983 ( 0.904 -0.680 0.321) 1.176 9.067 ( -3.975 -3.272 -4.421) 6.786 9.303 ( -0.407 -1.721 4.275) 4.626 9.363 ( 0.007 -4.894 -6.037) 7.771 10.007 ( 2.729 2.225 3.216) 4.769 10.091 ( -1.153 1.233 5.928) 6.163 10.102 ( -2.314 3.374 -0.124) 4.094 10.209 ( 0.659 1.589 -6.785) 7.000 10.475 ( 8.780 -6.880 1.174) 11.216 10.558 ( 2.566 -5.264 -3.904) 7.038 10.688 ( -1.056 3.158 1.213) 3.544 10.811 ( -11.039 -2.061 -3.256) 11.692 10.997 ( 4.901 2.735 1.288) 5.758 11.103 ( -6.079 0.658 -0.585) 6.143 11.669 ( 3.640 2.173 3.061) 5.229 11.763 ( -3.299 -0.273 -3.283) 4.662 12.745 ( 6.721 7.920 3.538) 10.974 12.828 ( 2.227 7.092 -1.493) 7.582 13.065 ( 1.192 -1.469 -0.276) 1.912 13.095 ( -2.556 1.157 0.412) 2.836 13.334 ( 0.798 -1.557 0.286) 1.772 13.369 ( -3.329 -3.682 0.157) 4.966 15.462 ( 4.307 -2.545 1.973) 5.378 15.542 ( -3.935 -6.188 0.060) 7.333 16.032 ( 7.662 1.745 0.070) 7.859 16.148 ( -6.065 -0.977 1.029) 6.229 16.800 ( -0.949 5.056 3.292) 6.108 16.860 ( 1.231 1.953 -6.799) 7.181 17.302 ( 15.102 7.297 -5.951) 17.797 17.416 ( -8.891 3.459 6.352) 11.461 17.615 ( 2.961 4.594 11.550) 12.778 17.847 ( -7.269 7.753 -8.589) 13.665 18.838 ( 14.294 -16.008 0.842) 21.477 19.146 ( -18.393 -17.862 -2.065) 25.722 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 2.421 5.838 -4.294) 7.641 1.966 ( -2.421 5.838 4.295) 7.641 2.199 ( -7.836 9.016 -5.985) 13.361 2.199 ( 7.836 9.016 5.986) 13.361 2.506 ( -7.641 -12.471 -5.967) 15.796 2.506 ( 7.641 -12.471 5.967) 15.796 3.156 ( 2.656 2.832 -4.010) 5.582 3.156 ( -2.656 2.832 4.010) 5.582 3.292 ( 3.165 -5.091 -3.863) 7.131 3.292 ( -3.165 -5.091 3.864) 7.131 3.825 ( -2.197 3.279 -6.826) 7.885 3.825 ( 2.197 3.279 6.826) 7.885 4.295 ( -1.278 -2.598 -1.693) 3.354 4.295 ( 1.278 -2.598 1.693) 3.354 4.449 ( -0.755 0.549 -1.452) 1.726 4.450 ( 0.755 0.549 1.452) 1.727 4.976 ( -0.420 0.027 -0.403) 0.583 4.976 ( 0.420 0.027 0.403) 0.583 6.604 ( -1.349 -1.330 -0.361) 1.928 6.604 ( 1.349 -1.330 0.361) 1.929 7.250 ( 0.455 -0.354 -1.623) 1.723 7.250 ( -0.455 -0.354 1.624) 1.723 8.012 ( -2.158 -1.908 -0.078) 2.881 8.012 ( 2.158 -1.908 0.078) 2.881 8.571 ( -0.424 -1.388 -0.246) 1.472 8.571 ( 0.424 -1.388 0.246) 1.472 9.142 ( -1.734 1.066 -0.259) 2.052 9.142 ( 1.734 1.066 0.259) 2.052 9.504 ( -3.104 -1.977 -0.068) 3.681 9.504 ( 3.104 -1.977 0.068) 3.681 9.899 ( 0.170 1.768 -2.529) 3.090 9.899 ( -0.170 1.768 2.529) 3.090 10.088 ( -0.164 -0.828 -0.317) 0.901 10.088 ( 0.165 -0.828 0.317) 0.902 10.628 ( -0.676 1.841 -0.925) 2.169 10.628 ( 0.676 1.841 0.925) 2.169 10.847 ( -1.681 0.874 -0.935) 2.113 10.847 ( 1.681 0.874 0.935) 2.113 11.332 ( -2.922 -1.480 -0.828) 3.379 11.332 ( 2.922 -1.480 0.828) 3.379 11.693 ( -3.982 -0.308 -4.382) 5.929 11.693 ( 3.982 -0.308 4.383) 5.930 12.159 ( -1.374 0.712 -2.561) 2.993 12.159 ( 1.374 0.712 2.562) 2.993 13.283 ( -0.387 0.473 -0.047) 0.613 13.283 ( 0.387 0.473 0.047) 0.613 13.425 ( -0.366 2.316 -1.717) 2.907 13.425 ( 0.366 2.316 1.717) 2.907 15.700 ( 2.337 1.619 -3.663) 4.637 15.700 ( -2.337 1.619 3.663) 4.636 16.004 ( 1.279 1.238 -6.872) 7.099 16.004 ( -1.278 1.238 6.873) 7.099 16.314 ( -1.319 2.860 -11.475) 11.899 16.314 ( 1.319 2.860 11.475) 11.899 16.446 ( -2.765 -9.805 -6.697) 12.191 16.446 ( 2.765 -9.805 6.697) 12.191 18.131 ( -0.820 4.535 -1.432) 4.826 18.131 ( 0.820 4.535 1.432) 4.826 19.728 ( -0.461 -2.179 -4.742) 5.239 19.728 ( 0.461 -2.179 4.742) 5.239 ======================= Grid point 347 (166/170) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.434 12.632 -5.196) 13.874 1.945 ( -1.225 5.057 -2.663) 5.845 2.039 ( -5.368 3.739 0.977) 6.614 2.286 ( -7.314 -15.801 -1.069) 17.444 2.475 ( 8.588 11.832 6.602) 16.042 2.715 ( 6.895 -12.376 7.115) 15.853 3.065 ( -6.663 3.968 -0.049) 7.756 3.144 ( -3.415 -2.341 -1.541) 4.418 3.250 ( -2.814 -1.125 0.267) 3.042 3.302 ( -0.250 -5.561 -1.470) 5.757 3.660 ( -3.833 8.759 -10.521) 14.216 3.829 ( -4.217 -7.650 -3.296) 9.337 4.296 ( 1.347 1.635 0.522) 2.181 4.323 ( 1.201 -0.635 -2.025) 2.439 4.455 ( 0.535 3.395 3.021) 4.576 4.526 ( 2.525 -3.677 6.357) 7.766 4.928 ( -2.575 1.144 -3.122) 4.206 4.953 ( -1.400 -1.285 -2.359) 3.030 6.598 ( -0.687 1.447 1.833) 2.434 6.648 ( 1.485 -3.465 2.356) 4.445 7.198 ( -3.074 1.465 -2.374) 4.151 7.233 ( -1.907 -2.075 -0.310) 2.835 7.959 ( -4.590 0.192 3.206) 5.602 8.010 ( -3.443 -4.874 3.171) 6.757 8.678 ( 10.380 0.127 1.291) 10.461 8.698 ( 11.623 -1.856 0.114) 11.771 9.047 ( -6.878 2.795 0.213) 7.427 9.112 ( -5.530 -3.537 -0.019) 6.565 9.476 ( 1.434 3.162 -4.646) 5.800 9.558 ( 3.672 -5.045 -5.448) 8.283 9.816 ( 1.232 2.197 -5.739) 6.267 9.839 ( -0.954 0.043 -3.883) 3.998 10.128 ( -0.956 0.485 4.095) 4.233 10.139 ( -1.390 -0.670 5.501) 5.714 10.582 ( -0.314 3.194 -3.484) 4.737 10.630 ( 1.426 -1.396 -3.130) 3.712 10.866 ( 0.437 5.707 4.573) 7.326 10.942 ( 4.191 -1.504 3.506) 5.668 11.205 ( -7.634 0.228 -2.073) 7.914 11.280 ( -6.732 -6.775 -3.142) 10.055 11.582 ( -0.894 8.727 -3.661) 9.506 11.752 ( 2.100 -8.404 -1.037) 8.724 12.292 ( 10.795 5.462 7.171) 14.064 12.354 ( 11.008 -0.630 7.671) 13.432 13.191 ( -4.059 0.416 -8.577) 9.498 13.198 ( -3.830 -0.269 -6.795) 7.805 13.416 ( -2.319 3.912 2.977) 5.435 13.456 ( -2.014 -0.385 4.885) 5.298 15.560 ( -5.921 2.653 -7.204) 9.695 15.619 ( -2.058 -2.840 -7.730) 8.488 16.011 ( -3.935 7.145 6.031) 10.145 16.107 ( -3.531 -1.705 9.898) 10.646 16.288 ( 11.011 3.132 -3.409) 11.945 16.400 ( 6.279 -7.446 -4.429) 10.699 16.542 ( 8.200 1.099 10.970) 13.740 16.659 ( 11.096 -9.469 8.989) 17.135 18.030 ( -6.050 7.088 -5.107) 10.626 18.095 ( -3.668 0.953 -3.549) 5.192 19.618 ( -6.059 4.036 -4.604) 8.614 19.740 ( -5.416 -7.945 4.129) 10.465 ======================= Grid point 348 (167/170) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -8.040 17.229 -3.537) 19.339 1.930 ( 2.482 4.871 0.477) 5.488 2.009 ( -1.878 -3.084 1.850) 4.057 2.152 ( -7.171 -14.100 1.224) 15.866 2.697 ( 4.968 9.433 8.794) 13.820 2.858 ( -0.051 -3.600 3.822) 5.251 2.959 ( -5.312 -0.571 1.455) 5.537 3.040 ( -5.304 -5.377 -2.376) 7.917 3.198 ( -2.007 -0.173 -1.163) 2.326 3.256 ( -2.874 -5.652 -1.299) 6.472 3.485 ( -2.673 8.485 -8.993) 12.649 3.666 ( -6.532 -9.536 -6.375) 13.200 4.272 ( -0.496 2.124 -4.130) 4.670 4.314 ( 0.664 -1.985 -3.206) 3.829 4.523 ( 0.288 5.587 4.254) 7.028 4.629 ( 0.884 -4.800 3.790) 6.179 4.839 ( -1.997 2.947 -3.777) 5.190 4.899 ( -0.485 -2.902 -2.712) 4.002 6.600 ( -2.211 3.457 1.443) 4.350 6.677 ( -1.764 -4.231 1.416) 4.798 7.142 ( 0.137 3.672 -0.146) 3.677 7.219 ( 0.730 -3.932 1.262) 4.194 7.955 ( -1.993 0.395 5.141) 5.528 8.013 ( -1.852 -5.368 6.058) 8.303 8.813 ( 1.159 2.559 -1.846) 3.361 8.862 ( 6.895 -2.114 -4.419) 8.458 8.985 ( 2.589 -0.863 -1.329) 3.035 9.010 ( -3.656 -3.492 -0.180) 5.058 9.410 ( -1.198 3.737 -3.805) 5.466 9.488 ( -2.044 -4.473 -5.450) 7.341 9.847 ( 7.807 2.273 -2.824) 8.607 9.881 ( 7.619 -1.117 -1.454) 7.836 10.115 ( -4.911 1.106 2.589) 5.661 10.132 ( -5.484 -0.774 4.005) 6.835 10.550 ( 1.538 3.655 -4.243) 5.807 10.621 ( 2.541 -3.292 -5.214) 6.670 10.879 ( -4.572 7.774 1.484) 9.140 10.988 ( -1.049 -1.394 -1.826) 2.526 11.130 ( -4.245 -2.945 3.379) 6.173 11.170 ( -0.019 -4.695 3.056) 5.602 11.566 ( 1.503 10.784 -1.203) 10.955 11.772 ( 1.585 -10.201 -0.770) 10.352 12.579 ( 11.187 7.245 5.846) 14.553 12.622 ( 10.420 2.969 6.043) 12.406 12.985 ( -5.785 0.663 -10.564) 12.063 13.055 ( -2.279 -5.481 -5.419) 8.037 13.398 ( -3.883 4.334 2.574) 6.363 13.461 ( -3.686 -2.281 4.060) 5.939 15.411 ( -3.419 4.080 -3.685) 6.474 15.519 ( -1.735 -6.799 -3.145) 7.689 15.978 ( -3.928 9.215 1.810) 10.180 16.124 ( -4.436 -4.438 5.586) 8.401 16.503 ( 13.215 1.264 1.678) 13.381 16.544 ( 15.448 -2.848 -3.649) 16.127 16.829 ( 8.607 4.887 12.936) 16.288 16.992 ( 13.894 -10.519 10.649) 20.423 17.828 ( -8.990 7.821 -6.714) 13.677 17.938 ( -7.253 -2.542 -6.837) 10.287 19.421 ( -10.972 9.305 -4.588) 15.100 19.640 ( -11.030 -12.443 2.450) 16.808 ======================= Grid point 349 (168/170) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -12.497 17.231 -2.841) 21.475 1.878 ( -13.860 -13.860 0.182) 19.602 2.073 ( 7.667 4.914 5.787) 10.790 2.171 ( 3.357 -5.429 7.386) 9.762 2.728 ( -6.378 7.294 -1.327) 9.780 2.868 ( -4.508 3.157 2.902) 6.221 2.871 ( -2.719 -4.985 -1.542) 5.884 2.960 ( -4.086 -3.383 1.046) 5.407 3.172 ( -0.564 -1.656 -1.583) 2.360 3.199 ( -3.117 -6.156 1.699) 7.106 3.392 ( 1.104 5.978 -3.923) 7.235 3.523 ( -3.119 -6.890 -2.142) 7.861 4.212 ( 0.016 2.316 -4.881) 5.402 4.275 ( 0.160 -3.735 -4.252) 5.662 4.498 ( -3.485 4.871 -3.829) 7.109 4.601 ( -3.285 -5.426 -4.287) 7.656 4.817 ( 1.325 4.408 0.451) 4.625 4.894 ( 1.018 -3.568 0.238) 3.718 6.548 ( -4.080 3.549 -0.797) 5.466 6.616 ( -4.964 -3.334 -1.000) 6.063 7.224 ( 6.334 4.125 3.717) 8.423 7.303 ( 4.925 -3.676 4.403) 7.560 8.001 ( -0.271 2.384 6.092) 6.548 8.088 ( 1.409 -6.168 6.753) 9.253 8.718 ( -5.605 1.933 -3.407) 6.838 8.786 ( -4.977 -4.541 -5.461) 8.673 9.000 ( 4.148 0.754 -4.166) 5.927 9.039 ( 5.032 -3.194 -5.420) 8.056 9.386 ( -0.893 0.034 -0.379) 0.971 9.401 ( -2.686 -1.840 -2.425) 4.060 9.979 ( 7.609 3.322 0.855) 8.346 10.015 ( 6.892 0.690 -0.421) 6.939 10.064 ( 0.242 -0.937 1.059) 1.434 10.077 ( -5.781 -1.980 4.671) 7.692 10.501 ( -1.693 4.474 -5.728) 7.463 10.577 ( 0.273 -2.655 -5.253) 5.892 10.826 ( -1.582 3.777 -0.782) 4.169 10.910 ( -3.045 -4.134 -2.083) 5.541 11.136 ( -2.432 3.106 3.464) 5.250 11.217 ( -2.468 -4.165 4.369) 6.521 11.600 ( 3.404 9.612 -0.012) 10.197 11.783 ( 0.679 -8.879 -0.744) 8.936 12.675 ( 2.120 7.374 -3.575) 8.465 12.797 ( -1.258 -3.759 -7.340) 8.342 12.884 ( 9.498 9.503 5.932) 14.687 13.083 ( 5.798 -8.796 2.898) 10.926 13.344 ( -4.998 4.408 1.169) 6.766 13.423 ( -5.114 -3.711 2.083) 6.653 15.365 ( -0.380 4.584 0.800) 4.669 15.484 ( -1.735 -7.653 1.347) 7.962 15.952 ( -0.390 8.745 0.662) 8.779 16.107 ( -3.440 -6.548 3.567) 8.212 16.735 ( 12.325 2.074 0.060) 12.498 16.781 ( 15.776 -2.418 -3.604) 16.362 17.108 ( 8.639 12.279 9.360) 17.692 17.338 ( 12.893 -9.364 7.114) 17.450 17.623 ( -6.821 3.077 -0.919) 7.539 17.720 ( -8.239 -4.729 -6.729) 11.642 19.148 ( -14.476 12.449 -5.112) 19.765 19.429 ( -15.508 -15.548 0.066) 21.960 ======================= Grid point 350 (169/170) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -12.299 12.625 -2.450) 17.796 1.580 ( -19.062 -13.794 -1.536) 23.579 2.285 ( 6.408 3.385 6.597) 9.800 2.358 ( 5.089 -3.659 8.386) 10.470 2.614 ( -2.803 7.282 -1.054) 7.874 2.757 ( -1.216 -6.025 -2.503) 6.637 2.856 ( -2.141 1.445 -0.269) 2.597 2.885 ( -5.223 -0.637 0.239) 5.267 3.139 ( -3.135 -0.595 1.869) 3.698 3.176 ( -1.658 -4.755 -0.238) 5.042 3.416 ( 3.230 3.967 0.261) 5.122 3.507 ( -0.971 -5.097 3.018) 6.003 4.168 ( 0.688 1.291 -3.662) 3.944 4.225 ( -0.463 -4.109 -3.959) 5.725 4.366 ( -3.158 4.280 -6.855) 8.677 4.463 ( -3.877 -5.376 -7.696) 10.157 4.854 ( 1.199 3.042 1.393) 3.555 4.910 ( 0.162 -2.733 0.240) 2.748 6.466 ( -3.404 2.726 -1.390) 4.577 6.515 ( -4.526 -2.207 -1.727) 5.323 7.398 ( 7.453 3.444 4.428) 9.328 7.454 ( 5.463 -2.067 4.929) 7.643 8.090 ( 1.643 5.181 7.158) 8.988 8.202 ( 3.859 -4.897 4.476) 7.675 8.584 ( -5.488 -0.552 -2.562) 6.082 8.648 ( -3.225 -5.584 -5.293) 8.342 9.006 ( 2.744 0.924 -5.377) 6.107 9.048 ( 2.752 -3.414 -4.525) 6.301 9.322 ( -3.908 0.182 0.129) 3.915 9.345 ( -2.674 -2.616 -1.550) 4.049 10.003 ( -2.468 2.711 4.262) 5.622 10.039 ( -3.011 -0.834 4.411) 5.405 10.163 ( 9.065 2.030 0.609) 9.310 10.207 ( 7.174 -1.802 0.882) 7.449 10.382 ( -2.227 5.049 -6.447) 8.486 10.502 ( -1.803 -5.937 -6.107) 8.706 10.781 ( -2.416 3.085 -1.017) 4.049 10.856 ( -2.114 -4.527 -1.347) 5.175 11.093 ( -4.564 5.050 0.535) 6.828 11.176 ( -5.471 -3.187 1.197) 6.444 11.667 ( 3.427 6.186 0.875) 7.126 11.778 ( 0.005 -4.898 -1.071) 5.014 12.709 ( 5.747 4.410 0.011) 7.244 12.775 ( 5.553 -2.046 -2.099) 6.279 13.070 ( 4.644 6.560 3.126) 8.624 13.182 ( -1.004 -3.082 0.760) 3.330 13.286 ( -0.880 1.318 1.533) 2.205 13.347 ( -4.842 -4.152 0.751) 6.423 15.396 ( 0.773 2.842 2.763) 4.038 15.473 ( -2.414 -5.209 2.308) 6.187 15.991 ( 3.188 5.756 1.798) 6.821 16.105 ( -1.323 -5.603 3.337) 6.654 16.881 ( 6.906 1.537 -4.368) 8.314 16.905 ( 3.804 -0.818 -5.629) 6.843 17.309 ( 10.855 14.345 -4.291) 18.494 17.464 ( 0.448 -1.447 -0.197) 1.528 17.574 ( -2.701 3.039 7.830) 8.823 17.765 ( 11.191 -12.661 8.920) 19.107 18.834 ( -14.451 11.823 -5.513) 19.468 19.132 ( -17.828 -17.241 -2.321) 24.909 ======================= Grid point 351 (170/170) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -1.494 2.610 -0.861) 3.128 1.267 ( -13.735 -8.168 -1.473) 16.048 2.387 ( 1.494 0.521 1.371) 2.093 2.423 ( -2.550 -2.888 1.243) 4.048 2.673 ( 6.704 8.294 1.217) 10.734 2.778 ( -5.307 5.155 0.832) 7.445 2.814 ( 4.837 -5.702 1.452) 7.617 2.857 ( -0.576 -2.798 1.783) 3.367 3.101 ( -1.854 -1.291 -0.194) 2.268 3.125 ( -2.739 -3.720 -1.819) 4.965 3.478 ( 2.293 1.990 1.642) 3.452 3.516 ( -1.716 -1.991 1.400) 2.978 4.152 ( 0.805 -1.304 -1.256) 1.982 4.171 ( -1.345 -3.088 -1.780) 3.810 4.282 ( 0.260 1.255 -2.333) 2.662 4.325 ( -2.623 -2.963 -5.152) 6.496 4.884 ( 0.810 0.965 0.997) 1.607 4.905 ( -0.527 -1.101 -0.466) 1.306 6.418 ( -0.780 1.263 -0.293) 1.513 6.438 ( -2.362 -0.645 -1.157) 2.708 7.540 ( 4.004 1.879 2.002) 4.855 7.561 ( 1.456 -0.238 2.130) 2.591 8.209 ( 1.543 7.286 7.692) 10.707 8.279 ( 2.633 3.536 -3.483) 5.618 8.512 ( -2.532 -7.408 3.739) 8.676 8.560 ( -0.086 -8.611 -5.711) 10.333 8.978 ( 0.205 0.262 -1.927) 1.955 9.005 ( -1.309 -2.636 -3.745) 4.763 9.289 ( -1.202 0.021 1.708) 2.089 9.302 ( -0.757 -1.569 -0.866) 1.945 10.054 ( 2.115 2.398 4.701) 5.686 10.091 ( 1.303 -1.194 6.802) 7.028 10.182 ( -3.811 4.270 -4.552) 7.313 10.229 ( -1.098 -0.069 -5.948) 6.049 10.389 ( 5.153 -1.714 -0.096) 5.431 10.430 ( 0.814 -5.826 -2.128) 6.255 10.740 ( -1.383 2.222 0.580) 2.680 10.779 ( -3.818 -1.796 -1.993) 4.666 11.052 ( 0.164 2.690 0.155) 2.699 11.094 ( -4.141 -1.476 -0.159) 4.399 11.725 ( 2.040 2.861 1.015) 3.658 11.760 ( -0.771 -0.622 -1.030) 1.429 12.851 ( 7.721 3.560 2.822) 8.958 12.895 ( 7.056 -0.427 0.973) 7.136 13.058 ( -4.979 1.452 -1.838) 5.502 13.093 ( -6.252 -1.379 -1.531) 6.583 13.317 ( 0.997 0.126 1.309) 1.650 13.331 ( 0.208 -0.984 0.819) 1.297 15.434 ( 0.716 -0.269 1.397) 1.593 15.456 ( -1.674 -2.649 0.802) 3.235 16.079 ( 3.582 2.701 2.050) 4.933 16.124 ( -1.098 -1.741 1.596) 2.604 16.853 ( -1.311 1.330 -1.612) 2.467 16.870 ( 0.804 -0.442 -5.932) 6.002 17.399 ( 5.590 2.638 -3.298) 7.006 17.431 ( -2.106 -0.876 1.127) 2.545 17.801 ( 10.208 12.924 9.564) 19.045 17.971 ( 1.204 -0.184 0.857) 1.489 18.625 ( -0.775 -1.665 -1.456) 2.344 18.803 ( -15.854 -16.124 -3.480) 22.879 =================== 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 3/35640 10.0 448.016 420.590 508.524 0.000 -88.061 0.000 3/35640 20.0 98.124 78.751 110.462 0.000 -14.960 0.000 3/35640 30.0 49.377 37.485 54.465 0.000 -6.331 0.000 3/35640 40.0 32.018 23.820 35.123 0.000 -3.523 0.000 3/35640 50.0 23.005 17.094 25.300 0.000 -2.242 0.000 3/35640 60.0 17.444 13.035 19.290 0.000 -1.546 0.000 3/35640 70.0 13.709 10.319 15.255 0.000 -1.128 0.000 3/35640 80.0 11.081 8.400 12.405 0.000 -0.858 0.000 3/35640 90.0 9.174 6.999 10.324 0.000 -0.677 0.000 3/35640 100.0 7.756 5.951 8.766 0.000 -0.549 0.000 3/35640 110.0 6.679 5.150 7.573 0.000 -0.457 0.000 3/35640 120.0 5.843 4.525 6.643 0.000 -0.388 0.000 3/35640 130.0 5.183 4.030 5.903 0.000 -0.335 0.000 3/35640 140.0 4.653 3.631 5.305 0.000 -0.294 0.000 3/35640 150.0 4.220 3.305 4.814 0.000 -0.261 0.000 3/35640 160.0 3.861 3.033 4.405 0.000 -0.234 0.000 3/35640 170.0 3.559 2.805 4.061 0.000 -0.212 0.000 3/35640 180.0 3.302 2.610 3.768 0.000 -0.194 0.000 3/35640 190.0 3.082 2.443 3.515 0.000 -0.178 0.000 3/35640 200.0 2.891 2.297 3.295 0.000 -0.165 0.000 3/35640 210.0 2.723 2.169 3.102 0.000 -0.153 0.000 3/35640 220.0 2.575 2.056 2.931 0.000 -0.143 0.000 3/35640 230.0 2.443 1.955 2.780 0.000 -0.134 0.000 3/35640 240.0 2.325 1.864 2.643 0.000 -0.127 0.000 3/35640 250.0 2.218 1.782 2.521 0.000 -0.120 0.000 3/35640 260.0 2.122 1.708 2.409 0.000 -0.113 0.000 3/35640 270.0 2.034 1.640 2.308 0.000 -0.108 0.000 3/35640 280.0 1.953 1.577 2.215 0.000 -0.103 0.000 3/35640 290.0 1.879 1.520 2.130 0.000 -0.098 0.000 3/35640 300.0 1.811 1.467 2.052 0.000 -0.094 0.000 3/35640 310.0 1.748 1.417 1.979 0.000 -0.090 0.000 3/35640 320.0 1.689 1.371 1.911 0.000 -0.086 0.000 3/35640 330.0 1.634 1.328 1.849 0.000 -0.083 0.000 3/35640 340.0 1.583 1.288 1.790 0.000 -0.080 0.000 3/35640 350.0 1.535 1.251 1.735 0.000 -0.077 0.000 3/35640 360.0 1.491 1.215 1.684 0.000 -0.075 0.000 3/35640 370.0 1.448 1.182 1.635 0.000 -0.072 0.000 3/35640 380.0 1.408 1.150 1.589 0.000 -0.070 0.000 3/35640 390.0 1.371 1.120 1.546 0.000 -0.068 0.000 3/35640 400.0 1.335 1.092 1.506 0.000 -0.066 0.000 3/35640 410.0 1.301 1.065 1.467 0.000 -0.064 0.000 3/35640 420.0 1.269 1.040 1.431 0.000 -0.062 0.000 3/35640 430.0 1.239 1.015 1.396 0.000 -0.060 0.000 3/35640 440.0 1.210 0.992 1.363 0.000 -0.059 0.000 3/35640 450.0 1.182 0.970 1.331 0.000 -0.057 0.000 3/35640 460.0 1.156 0.949 1.301 0.000 -0.056 0.000 3/35640 470.0 1.131 0.929 1.273 0.000 -0.055 0.000 3/35640 480.0 1.107 0.909 1.245 0.000 -0.053 0.000 3/35640 490.0 1.084 0.891 1.219 0.000 -0.052 0.000 3/35640 500.0 1.062 0.873 1.194 0.000 -0.051 0.000 3/35640 510.0 1.040 0.856 1.170 0.000 -0.050 0.000 3/35640 520.0 1.020 0.839 1.147 0.000 -0.049 0.000 3/35640 530.0 1.000 0.824 1.125 0.000 -0.048 0.000 3/35640 540.0 0.982 0.808 1.103 0.000 -0.047 0.000 3/35640 550.0 0.964 0.794 1.083 0.000 -0.046 0.000 3/35640 560.0 0.946 0.780 1.063 0.000 -0.045 0.000 3/35640 570.0 0.929 0.766 1.044 0.000 -0.044 0.000 3/35640 580.0 0.913 0.753 1.026 0.000 -0.043 0.000 3/35640 590.0 0.897 0.740 1.008 0.000 -0.042 0.000 3/35640 600.0 0.882 0.728 0.991 0.000 -0.042 0.000 3/35640 610.0 0.868 0.716 0.974 0.000 -0.041 0.000 3/35640 620.0 0.854 0.705 0.958 0.000 -0.040 0.000 3/35640 630.0 0.840 0.693 0.943 0.000 -0.039 0.000 3/35640 640.0 0.827 0.683 0.928 0.000 -0.039 0.000 3/35640 650.0 0.814 0.672 0.913 0.000 -0.038 0.000 3/35640 660.0 0.801 0.662 0.899 0.000 -0.037 0.000 3/35640 670.0 0.789 0.652 0.886 0.000 -0.037 0.000 3/35640 680.0 0.778 0.643 0.872 0.000 -0.036 0.000 3/35640 690.0 0.766 0.633 0.860 0.000 -0.036 0.000 3/35640 700.0 0.755 0.624 0.847 0.000 -0.035 0.000 3/35640 710.0 0.745 0.616 0.835 0.000 -0.035 0.000 3/35640 720.0 0.734 0.607 0.823 0.000 -0.034 0.000 3/35640 730.0 0.724 0.599 0.812 0.000 -0.034 0.000 3/35640 740.0 0.714 0.591 0.801 0.000 -0.033 0.000 3/35640 750.0 0.705 0.583 0.790 0.000 -0.033 0.000 3/35640 760.0 0.695 0.575 0.779 0.000 -0.032 0.000 3/35640 770.0 0.686 0.568 0.769 0.000 -0.032 0.000 3/35640 780.0 0.677 0.561 0.759 0.000 -0.031 0.000 3/35640 790.0 0.669 0.554 0.750 0.000 -0.031 0.000 3/35640 800.0 0.660 0.547 0.740 0.000 -0.031 0.000 3/35640 810.0 0.652 0.540 0.731 0.000 -0.030 0.000 3/35640 820.0 0.644 0.533 0.722 0.000 -0.030 0.000 3/35640 830.0 0.636 0.527 0.713 0.000 -0.029 0.000 3/35640 840.0 0.629 0.521 0.705 0.000 -0.029 0.000 3/35640 850.0 0.621 0.515 0.696 0.000 -0.029 0.000 3/35640 860.0 0.614 0.509 0.688 0.000 -0.028 0.000 3/35640 870.0 0.607 0.503 0.680 0.000 -0.028 0.000 3/35640 880.0 0.600 0.497 0.672 0.000 -0.028 0.000 3/35640 890.0 0.593 0.492 0.665 0.000 -0.027 0.000 3/35640 900.0 0.587 0.486 0.657 0.000 -0.027 0.000 3/35640 910.0 0.580 0.481 0.650 0.000 -0.027 0.000 3/35640 920.0 0.574 0.476 0.643 0.000 -0.026 0.000 3/35640 930.0 0.568 0.471 0.636 0.000 -0.026 0.000 3/35640 940.0 0.562 0.466 0.629 0.000 -0.026 0.000 3/35640 950.0 0.556 0.461 0.622 0.000 -0.025 0.000 3/35640 960.0 0.550 0.456 0.616 0.000 -0.025 0.000 3/35640 970.0 0.544 0.451 0.610 0.000 -0.025 0.000 3/35640 980.0 0.539 0.447 0.603 0.000 -0.025 0.000 3/35640 990.0 0.533 0.442 0.597 0.000 -0.024 0.000 3/35640 1000.0 0.528 0.438 0.591 0.000 -0.024 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m1196.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:10:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|