----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:53:49]------------------------- 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 6.817684883122178 0.000000000000000 0.000000000000000 b 0.000000000000000 7.617258430000000 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): *1 Sn 0.70445877448045 0.88336990846770 0.73575208630587 118.710 2 Sn 0.29554122551955 0.38336990846770 0.76424791369413 118.710 3 Sn 0.70445877448045 0.61663009153230 0.23575208630587 118.710 4 Sn 0.29554122551955 0.11663009153230 0.26424791369413 118.710 *5 P 0.62992172478901 0.10664184138731 0.06534201567916 30.974 6 P 0.62992172478901 0.39335815861269 0.56534201567916 30.974 7 P 0.37007827521099 0.60664184138731 0.43465798432084 30.974 8 P 0.37007827521099 0.89335815861269 0.93465798432084 30.974 *9 Se 0.61148479129065 0.80914355881424 0.44478627387436 78.960 *10 Se 0.11268867397797 0.01245072671970 0.72476367563078 78.960 *11 Se 0.78314743826039 0.29703780233405 0.45259451318137 78.960 12 Se 0.88731132602203 0.51245072671970 0.77523632436922 78.960 13 Se 0.61148479129065 0.69085644118576 0.94478627387436 78.960 14 Se 0.38851520870935 0.19085644118576 0.55521372612564 78.960 15 Se 0.21685256173961 0.70296219766595 0.54740548681863 78.960 16 Se 0.11268867397797 0.48754927328030 0.22476367563078 78.960 17 Se 0.21685256173961 0.79703780233405 0.04740548681863 78.960 18 Se 0.78314743826039 0.20296219766595 0.95259451318137 78.960 19 Se 0.38851520870935 0.30914355881424 0.05521372612564 78.960 20 Se 0.88731132602203 0.98754927328030 0.27523632436922 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.817684883122178 0.000000000000000 0.000000000000000 b 0.000000000000000 7.617258430000000 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): *1 Sn 0.70445877448045 0.88336990846770 0.73575208630587 118.710 > 1 2 Sn 0.29554122551955 0.38336990846770 0.76424791369413 118.710 > 2 3 Sn 0.70445877448045 0.61663009153230 0.23575208630587 118.710 > 3 4 Sn 0.29554122551955 0.11663009153230 0.26424791369413 118.710 > 4 *5 P 0.62992172478901 0.10664184138731 0.06534201567916 30.974 > 5 6 P 0.62992172478901 0.39335815861269 0.56534201567916 30.974 > 6 7 P 0.37007827521099 0.60664184138731 0.43465798432084 30.974 > 7 8 P 0.37007827521099 0.89335815861269 0.93465798432084 30.974 > 8 *9 Se 0.61148479129065 0.80914355881424 0.44478627387436 78.960 > 9 *10 Se 0.11268867397797 0.01245072671970 0.72476367563078 78.960 > 10 *11 Se 0.78314743826039 0.29703780233405 0.45259451318137 78.960 > 11 12 Se 0.88731132602203 0.51245072671970 0.77523632436922 78.960 > 12 13 Se 0.61148479129065 0.69085644118576 0.94478627387436 78.960 > 13 14 Se 0.38851520870935 0.19085644118576 0.55521372612564 78.960 > 14 15 Se 0.21685256173961 0.70296219766595 0.54740548681863 78.960 > 15 16 Se 0.11268867397797 0.48754927328030 0.22476367563078 78.960 > 16 17 Se 0.21685256173961 0.79703780233405 0.04740548681863 78.960 > 17 18 Se 0.78314743826039 0.20296219766595 0.95259451318137 78.960 > 18 19 Se 0.38851520870935 0.30914355881424 0.05521372612564 78.960 > 19 20 Se 0.88731132602203 0.98754927328030 0.27523632436922 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.635369766244356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.234516859999999 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): *1 Sn 0.35222938724022 0.44168495423385 0.73575208630587 118.710 > 1 2 Sn 0.85222938724022 0.44168495423385 0.73575208630587 118.710 > 1 3 Sn 0.35222938724022 0.94168495423385 0.73575208630587 118.710 > 1 4 Sn 0.85222938724022 0.94168495423385 0.73575208630587 118.710 > 1 5 Sn 0.14777061275978 0.19168495423385 0.76424791369413 118.710 > 2 6 Sn 0.64777061275978 0.19168495423385 0.76424791369413 118.710 > 2 7 Sn 0.14777061275978 0.69168495423385 0.76424791369413 118.710 > 2 8 Sn 0.64777061275978 0.69168495423385 0.76424791369413 118.710 > 2 9 Sn 0.35222938724022 0.30831504576615 0.23575208630587 118.710 > 3 10 Sn 0.85222938724022 0.30831504576615 0.23575208630587 118.710 > 3 11 Sn 0.35222938724022 0.80831504576615 0.23575208630587 118.710 > 3 12 Sn 0.85222938724022 0.80831504576615 0.23575208630587 118.710 > 3 13 Sn 0.14777061275978 0.05831504576615 0.26424791369413 118.710 > 4 14 Sn 0.64777061275978 0.05831504576615 0.26424791369413 118.710 > 4 15 Sn 0.14777061275978 0.55831504576615 0.26424791369413 118.710 > 4 16 Sn 0.64777061275978 0.55831504576615 0.26424791369413 118.710 > 4 *17 P 0.31496086239451 0.05332092069366 0.06534201567916 30.974 > 5 18 P 0.81496086239451 0.05332092069366 0.06534201567916 30.974 > 5 19 P 0.31496086239451 0.55332092069366 0.06534201567916 30.974 > 5 20 P 0.81496086239451 0.55332092069366 0.06534201567916 30.974 > 5 21 P 0.31496086239451 0.19667907930635 0.56534201567916 30.974 > 6 22 P 0.81496086239451 0.19667907930635 0.56534201567916 30.974 > 6 23 P 0.31496086239451 0.69667907930634 0.56534201567916 30.974 > 6 24 P 0.81496086239451 0.69667907930634 0.56534201567916 30.974 > 6 25 P 0.18503913760549 0.30332092069366 0.43465798432084 30.974 > 7 26 P 0.68503913760549 0.30332092069366 0.43465798432084 30.974 > 7 27 P 0.18503913760549 0.80332092069366 0.43465798432084 30.974 > 7 28 P 0.68503913760549 0.80332092069366 0.43465798432084 30.974 > 7 29 P 0.18503913760549 0.44667907930634 0.93465798432084 30.974 > 8 30 P 0.68503913760549 0.44667907930634 0.93465798432084 30.974 > 8 31 P 0.18503913760549 0.94667907930634 0.93465798432084 30.974 > 8 32 P 0.68503913760549 0.94667907930634 0.93465798432084 30.974 > 8 *33 Se 0.30574239564532 0.40457177940712 0.44478627387436 78.960 > 9 34 Se 0.80574239564532 0.40457177940712 0.44478627387436 78.960 > 9 35 Se 0.30574239564532 0.90457177940712 0.44478627387436 78.960 > 9 36 Se 0.80574239564532 0.90457177940712 0.44478627387436 78.960 > 9 *37 Se 0.05634433698899 0.00622536335985 0.72476367563078 78.960 > 10 38 Se 0.55634433698899 0.00622536335985 0.72476367563078 78.960 > 10 39 Se 0.05634433698899 0.50622536335985 0.72476367563078 78.960 > 10 40 Se 0.55634433698899 0.50622536335985 0.72476367563078 78.960 > 10 *41 Se 0.39157371913020 0.14851890116702 0.45259451318137 78.960 > 11 42 Se 0.89157371913020 0.14851890116702 0.45259451318137 78.960 > 11 43 Se 0.39157371913020 0.64851890116702 0.45259451318137 78.960 > 11 44 Se 0.89157371913020 0.64851890116702 0.45259451318137 78.960 > 11 45 Se 0.44365566301101 0.25622536335985 0.77523632436922 78.960 > 12 46 Se 0.94365566301101 0.25622536335985 0.77523632436922 78.960 > 12 47 Se 0.44365566301101 0.75622536335985 0.77523632436922 78.960 > 12 48 Se 0.94365566301101 0.75622536335985 0.77523632436922 78.960 > 12 49 Se 0.30574239564532 0.34542822059288 0.94478627387436 78.960 > 13 50 Se 0.80574239564532 0.34542822059288 0.94478627387436 78.960 > 13 51 Se 0.30574239564532 0.84542822059288 0.94478627387436 78.960 > 13 52 Se 0.80574239564532 0.84542822059288 0.94478627387436 78.960 > 13 53 Se 0.19425760435468 0.09542822059288 0.55521372612564 78.960 > 14 54 Se 0.69425760435468 0.09542822059288 0.55521372612564 78.960 > 14 55 Se 0.19425760435468 0.59542822059288 0.55521372612564 78.960 > 14 56 Se 0.69425760435468 0.59542822059288 0.55521372612564 78.960 > 14 57 Se 0.10842628086980 0.35148109883298 0.54740548681863 78.960 > 15 58 Se 0.60842628086980 0.35148109883298 0.54740548681863 78.960 > 15 59 Se 0.10842628086980 0.85148109883298 0.54740548681863 78.960 > 15 60 Se 0.60842628086980 0.85148109883298 0.54740548681863 78.960 > 15 61 Se 0.05634433698899 0.24377463664015 0.22476367563078 78.960 > 16 62 Se 0.55634433698899 0.24377463664015 0.22476367563078 78.960 > 16 63 Se 0.05634433698899 0.74377463664015 0.22476367563078 78.960 > 16 64 Se 0.55634433698899 0.74377463664015 0.22476367563078 78.960 > 16 65 Se 0.10842628086980 0.39851890116702 0.04740548681863 78.960 > 17 66 Se 0.60842628086980 0.39851890116702 0.04740548681863 78.960 > 17 67 Se 0.10842628086980 0.89851890116702 0.04740548681863 78.960 > 17 68 Se 0.60842628086980 0.89851890116702 0.04740548681863 78.960 > 17 69 Se 0.39157371913020 0.10148109883298 0.95259451318137 78.960 > 18 70 Se 0.89157371913020 0.10148109883298 0.95259451318137 78.960 > 18 71 Se 0.39157371913020 0.60148109883298 0.95259451318137 78.960 > 18 72 Se 0.89157371913020 0.60148109883298 0.95259451318137 78.960 > 18 73 Se 0.19425760435468 0.15457177940712 0.05521372612564 78.960 > 19 74 Se 0.69425760435468 0.15457177940712 0.05521372612564 78.960 > 19 75 Se 0.19425760435468 0.65457177940712 0.05521372612564 78.960 > 19 76 Se 0.69425760435468 0.65457177940712 0.05521372612564 78.960 > 19 77 Se 0.44365566301101 0.49377463664015 0.27523632436922 78.960 > 20 78 Se 0.94365566301101 0.49377463664015 0.27523632436922 78.960 > 20 79 Se 0.44365566301101 0.99377463664015 0.27523632436922 78.960 > 20 80 Se 0.94365566301101 0.99377463664015 0.27523632436922 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.8706458 0.0000000 0.3956676 0.0000000 14.1881786 0.0000000 0.3956918 0.0000000 15.5645589 -------------------------- Born effective charges -------------------------- 1 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 2 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 3 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 4 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 5 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 6 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 7 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 8 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 9 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 10 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 11 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 12 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 13 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 14 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 15 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 16 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 17 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 18 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 19 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 20 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 ---------------------------------------------------------------------------- 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: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.251 Solver_block: 200 / 640 - Time: 2.201 Solver_block: 300 / 640 - Time: 2.195 Solver_block: 400 / 640 - Time: 2.184 Solver_block: 500 / 640 - Time: 2.193 Solver_block: 600 / 640 - Time: 2.193 Solver_block: 640 / 640 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.210 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:54:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:54:23]------------------------- 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 6.817684883122178 0.000000000000000 0.000000000000000 b 0.000000000000000 7.617258430000000 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): 1 Sn 0.70445877448045 0.88336990846770 0.73575208630587 118.710 2 Sn 0.29554122551955 0.38336990846770 0.76424791369413 118.710 3 Sn 0.70445877448045 0.61663009153230 0.23575208630587 118.710 4 Sn 0.29554122551955 0.11663009153230 0.26424791369413 118.710 5 P 0.62992172478901 0.10664184138731 0.06534201567916 30.974 6 P 0.62992172478901 0.39335815861269 0.56534201567916 30.974 7 P 0.37007827521099 0.60664184138731 0.43465798432084 30.974 8 P 0.37007827521099 0.89335815861269 0.93465798432084 30.974 9 Se 0.61148479129065 0.80914355881424 0.44478627387436 78.960 10 Se 0.11268867397797 0.01245072671970 0.72476367563078 78.960 11 Se 0.78314743826039 0.29703780233405 0.45259451318137 78.960 12 Se 0.88731132602203 0.51245072671970 0.77523632436922 78.960 13 Se 0.61148479129065 0.69085644118576 0.94478627387436 78.960 14 Se 0.38851520870935 0.19085644118576 0.55521372612564 78.960 15 Se 0.21685256173961 0.70296219766595 0.54740548681863 78.960 16 Se 0.11268867397797 0.48754927328030 0.22476367563078 78.960 17 Se 0.21685256173961 0.79703780233405 0.04740548681863 78.960 18 Se 0.78314743826039 0.20296219766595 0.95259451318137 78.960 19 Se 0.38851520870935 0.30914355881424 0.05521372612564 78.960 20 Se 0.88731132602203 0.98754927328030 0.27523632436922 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.635369766244356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.234516859999999 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): 1 Sn 0.35222938724022 0.44168495423385 0.73575208630587 118.710 > 1 2 Sn 0.85222938724022 0.44168495423385 0.73575208630587 118.710 > 1 3 Sn 0.35222938724022 0.94168495423385 0.73575208630587 118.710 > 1 4 Sn 0.85222938724022 0.94168495423385 0.73575208630587 118.710 > 1 5 Sn 0.14777061275978 0.19168495423385 0.76424791369413 118.710 > 5 6 Sn 0.64777061275978 0.19168495423385 0.76424791369413 118.710 > 5 7 Sn 0.14777061275978 0.69168495423385 0.76424791369413 118.710 > 5 8 Sn 0.64777061275978 0.69168495423385 0.76424791369413 118.710 > 5 9 Sn 0.35222938724022 0.30831504576615 0.23575208630587 118.710 > 9 10 Sn 0.85222938724022 0.30831504576615 0.23575208630587 118.710 > 9 11 Sn 0.35222938724022 0.80831504576615 0.23575208630587 118.710 > 9 12 Sn 0.85222938724022 0.80831504576615 0.23575208630587 118.710 > 9 13 Sn 0.14777061275978 0.05831504576615 0.26424791369413 118.710 > 13 14 Sn 0.64777061275978 0.05831504576615 0.26424791369413 118.710 > 13 15 Sn 0.14777061275978 0.55831504576615 0.26424791369413 118.710 > 13 16 Sn 0.64777061275978 0.55831504576615 0.26424791369413 118.710 > 13 17 P 0.31496086239451 0.05332092069366 0.06534201567916 30.974 > 17 18 P 0.81496086239451 0.05332092069366 0.06534201567916 30.974 > 17 19 P 0.31496086239451 0.55332092069366 0.06534201567916 30.974 > 17 20 P 0.81496086239451 0.55332092069366 0.06534201567916 30.974 > 17 21 P 0.31496086239451 0.19667907930635 0.56534201567916 30.974 > 21 22 P 0.81496086239451 0.19667907930635 0.56534201567916 30.974 > 21 23 P 0.31496086239451 0.69667907930634 0.56534201567916 30.974 > 21 24 P 0.81496086239451 0.69667907930634 0.56534201567916 30.974 > 21 25 P 0.18503913760549 0.30332092069366 0.43465798432084 30.974 > 25 26 P 0.68503913760549 0.30332092069366 0.43465798432084 30.974 > 25 27 P 0.18503913760549 0.80332092069366 0.43465798432084 30.974 > 25 28 P 0.68503913760549 0.80332092069366 0.43465798432084 30.974 > 25 29 P 0.18503913760549 0.44667907930634 0.93465798432084 30.974 > 29 30 P 0.68503913760549 0.44667907930634 0.93465798432084 30.974 > 29 31 P 0.18503913760549 0.94667907930634 0.93465798432084 30.974 > 29 32 P 0.68503913760549 0.94667907930634 0.93465798432084 30.974 > 29 33 Se 0.30574239564532 0.40457177940712 0.44478627387436 78.960 > 33 34 Se 0.80574239564532 0.40457177940712 0.44478627387436 78.960 > 33 35 Se 0.30574239564532 0.90457177940712 0.44478627387436 78.960 > 33 36 Se 0.80574239564532 0.90457177940712 0.44478627387436 78.960 > 33 37 Se 0.05634433698899 0.00622536335985 0.72476367563078 78.960 > 37 38 Se 0.55634433698899 0.00622536335985 0.72476367563078 78.960 > 37 39 Se 0.05634433698899 0.50622536335985 0.72476367563078 78.960 > 37 40 Se 0.55634433698899 0.50622536335985 0.72476367563078 78.960 > 37 41 Se 0.39157371913020 0.14851890116702 0.45259451318137 78.960 > 41 42 Se 0.89157371913020 0.14851890116702 0.45259451318137 78.960 > 41 43 Se 0.39157371913020 0.64851890116702 0.45259451318137 78.960 > 41 44 Se 0.89157371913020 0.64851890116702 0.45259451318137 78.960 > 41 45 Se 0.44365566301101 0.25622536335985 0.77523632436922 78.960 > 45 46 Se 0.94365566301101 0.25622536335985 0.77523632436922 78.960 > 45 47 Se 0.44365566301101 0.75622536335985 0.77523632436922 78.960 > 45 48 Se 0.94365566301101 0.75622536335985 0.77523632436922 78.960 > 45 49 Se 0.30574239564532 0.34542822059288 0.94478627387436 78.960 > 49 50 Se 0.80574239564532 0.34542822059288 0.94478627387436 78.960 > 49 51 Se 0.30574239564532 0.84542822059288 0.94478627387436 78.960 > 49 52 Se 0.80574239564532 0.84542822059288 0.94478627387436 78.960 > 49 53 Se 0.19425760435468 0.09542822059288 0.55521372612564 78.960 > 53 54 Se 0.69425760435468 0.09542822059288 0.55521372612564 78.960 > 53 55 Se 0.19425760435468 0.59542822059288 0.55521372612564 78.960 > 53 56 Se 0.69425760435468 0.59542822059288 0.55521372612564 78.960 > 53 57 Se 0.10842628086980 0.35148109883298 0.54740548681863 78.960 > 57 58 Se 0.60842628086980 0.35148109883298 0.54740548681863 78.960 > 57 59 Se 0.10842628086980 0.85148109883298 0.54740548681863 78.960 > 57 60 Se 0.60842628086980 0.85148109883298 0.54740548681863 78.960 > 57 61 Se 0.05634433698899 0.24377463664015 0.22476367563078 78.960 > 61 62 Se 0.55634433698899 0.24377463664015 0.22476367563078 78.960 > 61 63 Se 0.05634433698899 0.74377463664015 0.22476367563078 78.960 > 61 64 Se 0.55634433698899 0.74377463664015 0.22476367563078 78.960 > 61 65 Se 0.10842628086980 0.39851890116702 0.04740548681863 78.960 > 65 66 Se 0.60842628086980 0.39851890116702 0.04740548681863 78.960 > 65 67 Se 0.10842628086980 0.89851890116702 0.04740548681863 78.960 > 65 68 Se 0.60842628086980 0.89851890116702 0.04740548681863 78.960 > 65 69 Se 0.39157371913020 0.10148109883298 0.95259451318137 78.960 > 69 70 Se 0.89157371913020 0.10148109883298 0.95259451318137 78.960 > 69 71 Se 0.39157371913020 0.60148109883298 0.95259451318137 78.960 > 69 72 Se 0.89157371913020 0.60148109883298 0.95259451318137 78.960 > 69 73 Se 0.19425760435468 0.15457177940712 0.05521372612564 78.960 > 73 74 Se 0.69425760435468 0.15457177940712 0.05521372612564 78.960 > 73 75 Se 0.19425760435468 0.65457177940712 0.05521372612564 78.960 > 73 76 Se 0.69425760435468 0.65457177940712 0.05521372612564 78.960 > 73 77 Se 0.44365566301101 0.49377463664015 0.27523632436922 78.960 > 77 78 Se 0.94365566301101 0.49377463664015 0.27523632436922 78.960 > 77 79 Se 0.44365566301101 0.99377463664015 0.27523632436922 78.960 > 77 80 Se 0.94365566301101 0.99377463664015 0.27523632436922 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.8706458 0.0000000 0.3956676 0.0000000 14.1881786 0.0000000 0.3956918 0.0000000 15.5645589 -------------------------- Born effective charges -------------------------- 1 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 2 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 3 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 4 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 5 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 6 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 7 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 8 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 9 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 10 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 11 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 12 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 13 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 14 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 15 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 16 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 17 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 18 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 19 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 20 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 ---------------------------------------------------------------------------- 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[ 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[ 37, 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[ 41, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 18:54:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:54:37]------------------------- 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 6.817684883122178 0.000000000000000 0.000000000000000 b 0.000000000000000 7.617258430000000 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): 1 Sn 0.70445877448045 0.88336990846770 0.73575208630587 118.710 2 Sn 0.29554122551955 0.38336990846770 0.76424791369413 118.710 3 Sn 0.70445877448045 0.61663009153230 0.23575208630587 118.710 4 Sn 0.29554122551955 0.11663009153230 0.26424791369413 118.710 5 P 0.62992172478901 0.10664184138731 0.06534201567916 30.974 6 P 0.62992172478901 0.39335815861269 0.56534201567916 30.974 7 P 0.37007827521099 0.60664184138731 0.43465798432084 30.974 8 P 0.37007827521099 0.89335815861269 0.93465798432084 30.974 9 Se 0.61148479129065 0.80914355881424 0.44478627387436 78.960 10 Se 0.11268867397797 0.01245072671970 0.72476367563078 78.960 11 Se 0.78314743826039 0.29703780233405 0.45259451318137 78.960 12 Se 0.88731132602203 0.51245072671970 0.77523632436922 78.960 13 Se 0.61148479129065 0.69085644118576 0.94478627387436 78.960 14 Se 0.38851520870935 0.19085644118576 0.55521372612564 78.960 15 Se 0.21685256173961 0.70296219766595 0.54740548681863 78.960 16 Se 0.11268867397797 0.48754927328030 0.22476367563078 78.960 17 Se 0.21685256173961 0.79703780233405 0.04740548681863 78.960 18 Se 0.78314743826039 0.20296219766595 0.95259451318137 78.960 19 Se 0.38851520870935 0.30914355881424 0.05521372612564 78.960 20 Se 0.88731132602203 0.98754927328030 0.27523632436922 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.635369766244356 0.000000000000000 0.000000000000000 b 0.000000000000000 15.234516859999999 0.000000000000000 c -6.562254916437390 0.000000000000000 9.423539724632487 Atomic positions (fractional): 1 Sn 0.35222938724022 0.44168495423385 0.73575208630587 118.710 > 1 2 Sn 0.85222938724022 0.44168495423385 0.73575208630587 118.710 > 1 3 Sn 0.35222938724022 0.94168495423385 0.73575208630587 118.710 > 1 4 Sn 0.85222938724022 0.94168495423385 0.73575208630587 118.710 > 1 5 Sn 0.14777061275978 0.19168495423385 0.76424791369413 118.710 > 5 6 Sn 0.64777061275978 0.19168495423385 0.76424791369413 118.710 > 5 7 Sn 0.14777061275978 0.69168495423385 0.76424791369413 118.710 > 5 8 Sn 0.64777061275978 0.69168495423385 0.76424791369413 118.710 > 5 9 Sn 0.35222938724022 0.30831504576615 0.23575208630587 118.710 > 9 10 Sn 0.85222938724022 0.30831504576615 0.23575208630587 118.710 > 9 11 Sn 0.35222938724022 0.80831504576615 0.23575208630587 118.710 > 9 12 Sn 0.85222938724022 0.80831504576615 0.23575208630587 118.710 > 9 13 Sn 0.14777061275978 0.05831504576615 0.26424791369413 118.710 > 13 14 Sn 0.64777061275978 0.05831504576615 0.26424791369413 118.710 > 13 15 Sn 0.14777061275978 0.55831504576615 0.26424791369413 118.710 > 13 16 Sn 0.64777061275978 0.55831504576615 0.26424791369413 118.710 > 13 17 P 0.31496086239451 0.05332092069366 0.06534201567916 30.974 > 17 18 P 0.81496086239451 0.05332092069366 0.06534201567916 30.974 > 17 19 P 0.31496086239451 0.55332092069366 0.06534201567916 30.974 > 17 20 P 0.81496086239451 0.55332092069366 0.06534201567916 30.974 > 17 21 P 0.31496086239451 0.19667907930635 0.56534201567916 30.974 > 21 22 P 0.81496086239451 0.19667907930635 0.56534201567916 30.974 > 21 23 P 0.31496086239451 0.69667907930634 0.56534201567916 30.974 > 21 24 P 0.81496086239451 0.69667907930634 0.56534201567916 30.974 > 21 25 P 0.18503913760549 0.30332092069366 0.43465798432084 30.974 > 25 26 P 0.68503913760549 0.30332092069366 0.43465798432084 30.974 > 25 27 P 0.18503913760549 0.80332092069366 0.43465798432084 30.974 > 25 28 P 0.68503913760549 0.80332092069366 0.43465798432084 30.974 > 25 29 P 0.18503913760549 0.44667907930634 0.93465798432084 30.974 > 29 30 P 0.68503913760549 0.44667907930634 0.93465798432084 30.974 > 29 31 P 0.18503913760549 0.94667907930634 0.93465798432084 30.974 > 29 32 P 0.68503913760549 0.94667907930634 0.93465798432084 30.974 > 29 33 Se 0.30574239564532 0.40457177940712 0.44478627387436 78.960 > 33 34 Se 0.80574239564532 0.40457177940712 0.44478627387436 78.960 > 33 35 Se 0.30574239564532 0.90457177940712 0.44478627387436 78.960 > 33 36 Se 0.80574239564532 0.90457177940712 0.44478627387436 78.960 > 33 37 Se 0.05634433698899 0.00622536335985 0.72476367563078 78.960 > 37 38 Se 0.55634433698899 0.00622536335985 0.72476367563078 78.960 > 37 39 Se 0.05634433698899 0.50622536335985 0.72476367563078 78.960 > 37 40 Se 0.55634433698899 0.50622536335985 0.72476367563078 78.960 > 37 41 Se 0.39157371913020 0.14851890116702 0.45259451318137 78.960 > 41 42 Se 0.89157371913020 0.14851890116702 0.45259451318137 78.960 > 41 43 Se 0.39157371913020 0.64851890116702 0.45259451318137 78.960 > 41 44 Se 0.89157371913020 0.64851890116702 0.45259451318137 78.960 > 41 45 Se 0.44365566301101 0.25622536335985 0.77523632436922 78.960 > 45 46 Se 0.94365566301101 0.25622536335985 0.77523632436922 78.960 > 45 47 Se 0.44365566301101 0.75622536335985 0.77523632436922 78.960 > 45 48 Se 0.94365566301101 0.75622536335985 0.77523632436922 78.960 > 45 49 Se 0.30574239564532 0.34542822059288 0.94478627387436 78.960 > 49 50 Se 0.80574239564532 0.34542822059288 0.94478627387436 78.960 > 49 51 Se 0.30574239564532 0.84542822059288 0.94478627387436 78.960 > 49 52 Se 0.80574239564532 0.84542822059288 0.94478627387436 78.960 > 49 53 Se 0.19425760435468 0.09542822059288 0.55521372612564 78.960 > 53 54 Se 0.69425760435468 0.09542822059288 0.55521372612564 78.960 > 53 55 Se 0.19425760435468 0.59542822059288 0.55521372612564 78.960 > 53 56 Se 0.69425760435468 0.59542822059288 0.55521372612564 78.960 > 53 57 Se 0.10842628086980 0.35148109883298 0.54740548681863 78.960 > 57 58 Se 0.60842628086980 0.35148109883298 0.54740548681863 78.960 > 57 59 Se 0.10842628086980 0.85148109883298 0.54740548681863 78.960 > 57 60 Se 0.60842628086980 0.85148109883298 0.54740548681863 78.960 > 57 61 Se 0.05634433698899 0.24377463664015 0.22476367563078 78.960 > 61 62 Se 0.55634433698899 0.24377463664015 0.22476367563078 78.960 > 61 63 Se 0.05634433698899 0.74377463664015 0.22476367563078 78.960 > 61 64 Se 0.55634433698899 0.74377463664015 0.22476367563078 78.960 > 61 65 Se 0.10842628086980 0.39851890116702 0.04740548681863 78.960 > 65 66 Se 0.60842628086980 0.39851890116702 0.04740548681863 78.960 > 65 67 Se 0.10842628086980 0.89851890116702 0.04740548681863 78.960 > 65 68 Se 0.60842628086980 0.89851890116702 0.04740548681863 78.960 > 65 69 Se 0.39157371913020 0.10148109883298 0.95259451318137 78.960 > 69 70 Se 0.89157371913020 0.10148109883298 0.95259451318137 78.960 > 69 71 Se 0.39157371913020 0.60148109883298 0.95259451318137 78.960 > 69 72 Se 0.89157371913020 0.60148109883298 0.95259451318137 78.960 > 69 73 Se 0.19425760435468 0.15457177940712 0.05521372612564 78.960 > 73 74 Se 0.69425760435468 0.15457177940712 0.05521372612564 78.960 > 73 75 Se 0.19425760435468 0.65457177940712 0.05521372612564 78.960 > 73 76 Se 0.69425760435468 0.65457177940712 0.05521372612564 78.960 > 73 77 Se 0.44365566301101 0.49377463664015 0.27523632436922 78.960 > 77 78 Se 0.94365566301101 0.49377463664015 0.27523632436922 78.960 > 77 79 Se 0.44365566301101 0.99377463664015 0.27523632436922 78.960 > 77 80 Se 0.94365566301101 0.99377463664015 0.27523632436922 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.8706458 0.0000000 0.3956676 0.0000000 14.1881786 0.0000000 0.3956918 0.0000000 15.5645589 -------------------------- Born effective charges -------------------------- 1 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 2 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 3 Sn 4.4197244 -0.0617577 -0.3289094 -0.2608199 4.8622499 0.0366905 0.1427340 -0.4720009 5.0552288 4 Sn 4.4197244 0.0617577 -0.3289094 0.2608199 4.8622499 -0.0366905 0.1427340 0.4720009 5.0552288 5 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 6 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 7 P 1.5790500 0.5259095 0.1819157 1.1416575 1.7898694 0.8512813 -0.6160022 0.4812957 1.8107634 8 P 1.5790500 -0.5259095 0.1819157 -1.1416575 1.7898694 -0.8512813 -0.6160022 -0.4812957 1.8107634 9 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 10 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 11 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 12 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 13 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 14 Se -1.6302514 0.2381610 0.8964449 -0.5451159 -2.9612064 0.0768936 1.1442235 0.0436292 -2.4668584 15 Se -2.1547223 -0.7739644 -0.6861500 -0.5910053 -1.6301927 0.1725312 -0.3212507 0.1540876 -2.9132687 16 Se -2.2138008 0.7038300 -0.0633012 0.8898531 -2.0607202 -0.0432689 -0.3497046 0.1467715 -1.4858651 17 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 18 Se -2.1547223 0.7739644 -0.6861500 0.5910053 -1.6301927 -0.1725312 -0.3212507 -0.1540876 -2.9132687 19 Se -1.6302514 -0.2381610 0.8964449 0.5451159 -2.9612064 -0.0768936 1.1442235 -0.0436292 -2.4668584 20 Se -2.2138008 -0.7038300 -0.0633012 -0.8898531 -2.0607202 0.0432689 -0.3497046 -0.1467715 -1.4858651 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] 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: 0.53, Number of G-points: 305, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 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 0.782 ( 0.000 0.000 0.000) 0.000 0.888 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 12.868 ( 0.000 0.000 0.000) 0.000 12.917 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 13.757 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 6.948 0.000 7.372) 10.131 0.275 ( 8.118 0.000 12.161) 14.622 0.501 ( 15.408 0.000 16.011) 22.221 0.896 ( 10.537 0.000 2.001) 10.725 0.997 ( -20.695 0.000 28.481) 35.206 1.138 ( -2.314 0.000 -3.143) 3.903 1.379 ( 0.795 0.000 2.152) 2.294 1.453 ( 5.318 0.000 1.516) 5.530 1.516 ( -2.816 0.000 1.592) 3.234 1.592 ( -2.996 0.000 0.407) 3.024 1.608 ( 1.677 0.000 0.630) 1.792 1.833 ( 0.163 0.000 -2.750) 2.755 2.000 ( 0.123 0.000 -0.471) 0.486 2.048 ( 1.561 0.000 -1.874) 2.439 2.079 ( 1.336 0.000 -1.605) 2.088 2.230 ( -1.146 0.000 -1.165) 1.634 2.247 ( -2.365 0.000 -0.249) 2.379 2.267 ( -6.218 0.000 -2.472) 6.692 2.312 ( 2.423 0.000 1.566) 2.885 2.433 ( -2.575 0.000 -1.395) 2.928 2.456 ( -1.167 0.000 -1.676) 2.042 2.604 ( -0.760 0.000 1.388) 1.582 2.640 ( -5.350 0.000 -2.000) 5.711 2.729 ( 3.168 0.000 2.014) 3.754 2.795 ( 0.361 0.000 -1.822) 1.858 2.839 ( -0.151 0.000 -0.465) 0.489 2.906 ( -2.416 0.000 -1.872) 3.057 3.000 ( 0.620 0.000 0.220) 0.658 3.045 ( 3.242 0.000 2.194) 3.914 3.213 ( 0.426 0.000 -2.015) 2.059 3.360 ( -0.522 0.000 0.958) 1.090 3.447 ( -2.859 0.000 -2.258) 3.643 3.465 ( 0.981 0.000 1.244) 1.584 3.556 ( 0.960 0.000 3.313) 3.449 3.617 ( 0.851 0.000 1.298) 1.552 3.628 ( -0.814 0.000 0.268) 0.857 3.857 ( 2.074 0.000 3.114) 3.742 3.945 ( -1.308 0.000 -2.555) 2.871 3.958 ( 4.285 0.000 -2.389) 4.906 4.054 ( -4.782 0.000 -0.796) 4.848 4.178 ( 0.252 0.000 0.389) 0.464 4.271 ( 3.592 0.000 0.764) 3.672 4.316 ( 1.541 0.000 0.045) 1.541 4.430 ( -0.135 0.000 -2.165) 2.170 4.824 ( -0.667 0.000 -0.964) 1.172 4.921 ( 1.188 0.000 -1.400) 1.836 6.204 ( 0.115 0.000 0.882) 0.889 6.242 ( -0.764 0.000 -0.389) 0.857 8.231 ( -0.179 0.000 -0.504) 0.535 8.238 ( -0.526 0.000 2.025) 2.092 12.550 ( 1.098 0.000 0.809) 1.364 12.565 ( -1.114 0.000 -1.050) 1.530 12.603 ( 3.236 0.000 -4.267) 5.355 12.628 ( 1.609 0.000 0.060) 1.610 12.897 ( -1.974 0.000 -0.339) 2.003 12.951 ( -2.686 0.000 4.228) 5.009 13.020 ( 0.586 0.000 -1.032) 1.187 13.066 ( 1.220 0.000 0.649) 1.382 13.667 ( 0.445 0.000 0.474) 0.650 13.755 ( -0.031 0.000 -0.344) 0.345 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 8.025 0.000 8.055) 11.370 0.535 ( 6.962 0.000 11.566) 13.499 0.755 ( 8.485 0.000 -5.063) 9.881 0.989 ( -5.151 0.000 14.281) 15.182 1.027 ( -4.250 0.000 -6.541) 7.800 1.246 ( 11.006 0.000 16.740) 20.034 1.409 ( -0.060 0.000 2.517) 2.518 1.417 ( -1.904 0.000 -1.772) 2.601 1.510 ( -2.514 0.000 0.046) 2.514 1.624 ( 1.334 0.000 4.834) 5.015 1.650 ( 2.192 0.000 0.082) 2.194 1.809 ( 0.002 0.000 -2.457) 2.457 1.994 ( -5.143 0.000 -3.436) 6.185 2.027 ( 1.100 0.000 0.575) 1.241 2.059 ( 1.927 0.000 -4.406) 4.809 2.160 ( -1.542 0.000 -1.038) 1.859 2.189 ( -1.785 0.000 -1.242) 2.175 2.271 ( 1.896 0.000 0.561) 1.977 2.349 ( -1.302 0.000 1.100) 1.704 2.382 ( 0.648 0.000 -0.798) 1.028 2.417 ( -1.850 0.000 0.854) 2.037 2.572 ( -0.008 0.000 -0.468) 0.468 2.582 ( -2.792 0.000 -0.998) 2.965 2.710 ( -1.078 0.000 -3.784) 3.935 2.809 ( -2.290 0.000 1.128) 2.553 2.842 ( -2.104 0.000 -3.286) 3.902 2.861 ( 3.757 0.000 0.723) 3.826 2.970 ( -1.658 0.000 -2.594) 3.079 3.116 ( 2.497 0.000 0.994) 2.687 3.198 ( 1.442 0.000 -2.919) 3.256 3.372 ( -2.613 0.000 -1.683) 3.108 3.375 ( -0.086 0.000 1.825) 1.827 3.505 ( 1.354 0.000 2.611) 2.942 3.593 ( -3.435 0.000 2.674) 4.353 3.613 ( 0.970 0.000 0.039) 0.971 3.662 ( 2.128 0.000 2.207) 3.066 3.853 ( -4.037 0.000 -4.908) 6.355 3.917 ( 0.564 0.000 3.300) 3.348 4.010 ( 3.084 0.000 -0.141) 3.087 4.011 ( -1.139 0.000 1.113) 1.592 4.197 ( 1.049 0.000 1.366) 1.722 4.307 ( 0.690 0.000 -0.821) 1.073 4.340 ( 1.664 0.000 -0.968) 1.925 4.407 ( 1.242 0.000 -2.762) 3.028 4.798 ( -0.771 0.000 -1.346) 1.551 4.928 ( 0.634 0.000 0.080) 0.639 6.221 ( -1.079 0.000 -0.426) 1.160 6.221 ( 0.266 0.000 1.501) 1.525 8.219 ( -0.334 0.000 -0.789) 0.856 8.257 ( 0.417 0.000 1.279) 1.345 12.535 ( -0.748 0.000 -1.406) 1.593 12.584 ( 1.532 0.000 1.204) 1.948 12.607 ( 1.535 0.000 -1.884) 2.430 12.653 ( 1.437 0.000 -0.216) 1.453 12.855 ( -2.458 0.000 -0.218) 2.468 12.957 ( -1.883 0.000 3.353) 3.846 13.018 ( 1.029 0.000 -1.732) 2.015 13.097 ( 1.316 0.000 0.866) 1.575 13.685 ( 0.865 0.000 0.832) 1.200 13.750 ( 0.008 0.000 -0.490) 0.490 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 2.853 0.000 10.741) 11.113 0.733 ( 1.398 0.000 7.425) 7.555 0.795 ( 9.732 0.000 -10.818) 14.552 0.916 ( 1.655 0.000 -2.744) 3.205 1.051 ( -3.767 0.000 9.702) 10.408 1.399 ( 0.720 0.000 -0.986) 1.221 1.441 ( 0.587 0.000 1.960) 2.046 1.495 ( 0.291 0.000 3.492) 3.504 1.524 ( 3.306 0.000 4.438) 5.534 1.658 ( -1.502 0.000 -2.371) 2.806 1.689 ( -0.718 0.000 4.368) 4.427 1.750 ( -2.687 0.000 -2.770) 3.859 1.855 ( -5.574 0.000 -2.091) 5.953 2.022 ( -0.959 0.000 3.606) 3.731 2.060 ( 0.904 0.000 -3.659) 3.769 2.144 ( 3.013 0.000 -1.537) 3.382 2.174 ( 0.934 0.000 0.114) 0.941 2.314 ( 2.756 0.000 0.061) 2.757 2.364 ( 2.258 0.000 -0.162) 2.264 2.385 ( 0.317 0.000 -1.075) 1.120 2.441 ( -0.051 0.000 5.167) 5.167 2.483 ( -5.633 0.000 -3.373) 6.566 2.626 ( 3.576 0.000 2.710) 4.487 2.650 ( -1.014 0.000 -4.146) 4.268 2.753 ( -3.449 0.000 -1.383) 3.716 2.760 ( -3.228 0.000 -2.774) 4.257 2.907 ( -1.413 0.000 -3.809) 4.063 2.933 ( 2.714 0.000 1.938) 3.335 3.149 ( 0.799 0.000 0.494) 0.940 3.199 ( 2.558 0.000 -2.669) 3.697 3.346 ( 0.087 0.000 0.628) 0.634 3.393 ( -0.347 0.000 2.242) 2.269 3.531 ( -4.629 0.000 -0.268) 4.637 3.559 ( 1.802 0.000 1.754) 2.514 3.637 ( 0.540 0.000 1.006) 1.142 3.731 ( 2.582 0.000 2.808) 3.815 3.733 ( -3.931 0.000 -3.881) 5.524 3.941 ( 0.109 0.000 -0.789) 0.797 4.012 ( -0.230 0.000 0.171) 0.286 4.054 ( 0.819 0.000 2.909) 3.023 4.234 ( 1.084 0.000 1.360) 1.739 4.286 ( -0.818 0.000 -1.893) 2.062 4.339 ( 0.585 0.000 -2.465) 2.534 4.410 ( 1.798 0.000 -1.476) 2.326 4.775 ( -0.362 0.000 -0.954) 1.020 4.941 ( 0.473 0.000 0.559) 0.733 6.201 ( -0.881 0.000 -0.203) 0.904 6.244 ( 0.333 0.000 1.471) 1.508 8.204 ( -0.354 0.000 -0.707) 0.791 8.277 ( 0.543 0.000 0.804) 0.971 12.511 ( -0.302 0.000 -1.162) 1.200 12.609 ( 0.799 0.000 -1.081) 1.344 12.621 ( 1.159 0.000 1.122) 1.613 12.664 ( 0.347 0.000 -0.674) 0.757 12.822 ( -1.401 0.000 0.351) 1.444 12.964 ( -1.422 0.000 2.538) 2.909 13.015 ( 1.038 0.000 -1.631) 1.933 13.124 ( 0.870 0.000 0.691) 1.112 13.711 ( 0.954 0.000 0.845) 1.275 13.745 ( 0.071 0.000 -0.392) 0.399 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.524 0.000 5.454) 5.479 0.752 ( -0.324 0.000 0.247) 0.407 0.832 ( 5.017 0.000 -4.933) 7.036 1.035 ( 4.756 0.000 5.476) 7.253 1.102 ( -0.269 0.000 4.080) 4.089 1.405 ( 2.029 0.000 -1.010) 2.266 1.446 ( -0.498 0.000 -2.861) 2.904 1.513 ( -3.738 0.000 0.332) 3.753 1.551 ( -4.169 0.000 -0.906) 4.266 1.573 ( 5.350 0.000 -0.689) 5.395 1.658 ( -5.820 0.000 2.102) 6.188 1.672 ( -1.904 0.000 -3.267) 3.781 1.837 ( -0.008 0.000 3.324) 3.324 2.003 ( -0.245 0.000 -4.489) 4.495 2.109 ( 2.542 0.000 3.893) 4.650 2.197 ( 1.966 0.000 0.782) 2.116 2.202 ( 0.816 0.000 0.919) 1.229 2.353 ( 2.030 0.000 -0.699) 2.147 2.362 ( -3.826 0.000 -1.409) 4.077 2.377 ( 0.309 0.000 -0.828) 0.884 2.386 ( 0.719 0.000 -0.645) 0.966 2.509 ( 0.516 0.000 4.998) 5.024 2.585 ( -1.079 0.000 -3.716) 3.869 2.660 ( -0.736 0.000 -1.671) 1.826 2.692 ( -1.512 0.000 -1.376) 2.045 2.748 ( 1.485 0.000 4.260) 4.511 2.837 ( -1.454 0.000 -4.162) 4.408 2.982 ( 1.079 0.000 0.913) 1.413 3.161 ( 0.259 0.000 0.261) 0.368 3.215 ( 1.492 0.000 -0.941) 1.764 3.378 ( 2.289 0.000 1.031) 2.510 3.413 ( -0.055 0.000 1.369) 1.370 3.451 ( -4.071 0.000 -0.733) 4.136 3.593 ( 0.835 0.000 0.332) 0.899 3.642 ( -0.423 0.000 -1.473) 1.533 3.665 ( -0.786 0.000 0.428) 0.895 3.799 ( 1.645 0.000 2.283) 2.814 3.911 ( -0.738 0.000 -2.209) 2.329 4.004 ( -0.262 0.000 -0.322) 0.415 4.101 ( 0.388 0.000 2.598) 2.627 4.251 ( 0.183 0.000 -0.185) 0.260 4.254 ( -0.582 0.000 -1.042) 1.194 4.317 ( 0.017 0.000 -1.392) 1.392 4.423 ( 0.839 0.000 -0.314) 0.896 4.765 ( -0.057 0.000 -0.300) 0.306 4.952 ( 0.170 0.000 0.274) 0.323 6.189 ( -0.336 0.000 -0.035) 0.337 6.261 ( 0.158 0.000 0.619) 0.639 8.194 ( -0.155 0.000 -0.283) 0.322 8.290 ( 0.231 0.000 0.276) 0.360 12.499 ( -0.032 0.000 -0.433) 0.434 12.609 ( 0.235 0.000 -0.355) 0.426 12.643 ( 0.432 0.000 0.439) 0.616 12.655 ( -0.248 0.000 -0.450) 0.514 12.815 ( -0.229 0.000 0.328) 0.400 12.967 ( -0.549 0.000 0.931) 1.081 13.015 ( 0.430 0.000 -0.643) 0.773 13.139 ( 0.286 0.000 0.257) 0.385 13.730 ( 0.427 0.000 0.365) 0.562 13.743 ( 0.046 0.000 -0.145) 0.152 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 14.975 0.000) 14.975 0.380 ( 0.000 17.660 0.000) 17.660 0.521 ( 0.000 22.098 0.000) 22.098 0.818 ( 0.000 6.220 0.000) 6.220 0.915 ( 0.000 3.991 0.000) 3.991 1.162 ( 0.000 -0.722 0.000) 0.722 1.382 ( 0.000 3.244 0.000) 3.244 1.407 ( 0.000 -0.770 0.000) 0.770 1.517 ( 0.000 3.281 0.000) 3.281 1.582 ( 0.000 -1.602 0.000) 1.602 1.664 ( 0.000 -0.583 0.000) 0.583 1.793 ( 0.000 -2.421 0.000) 2.421 1.934 ( 0.000 3.563 0.000) 3.563 2.004 ( 0.000 -0.962 0.000) 0.962 2.042 ( 0.000 0.341 0.000) 0.341 2.212 ( 0.000 -1.130 0.000) 1.130 2.241 ( 0.000 -3.557 0.000) 3.557 2.303 ( 0.000 0.588 0.000) 0.588 2.380 ( 0.000 -0.023 0.000) 0.023 2.480 ( 0.000 0.480 0.000) 0.480 2.482 ( 0.000 1.123 0.000) 1.123 2.543 ( 0.000 -0.250 0.000) 0.250 2.581 ( 0.000 -0.833 0.000) 0.833 2.695 ( 0.000 -5.710 0.000) 5.710 2.719 ( 0.000 0.159 0.000) 0.159 2.807 ( 0.000 -3.199 0.000) 3.199 2.990 ( 0.000 2.408 0.000) 2.408 2.993 ( 0.000 -0.227 0.000) 0.227 3.200 ( 0.000 -2.066 0.000) 2.066 3.269 ( 0.000 -4.302 0.000) 4.302 3.384 ( 0.000 1.053 0.000) 1.053 3.435 ( 0.000 1.611 0.000) 1.611 3.487 ( 0.000 -1.201 0.000) 1.201 3.612 ( 0.000 -1.417 0.000) 1.417 3.618 ( 0.000 1.300 0.000) 1.300 3.643 ( 0.000 1.936 0.000) 1.936 3.707 ( 0.000 -0.852 0.000) 0.852 3.793 ( 0.000 -2.243 0.000) 2.243 3.987 ( 0.000 1.884 0.000) 1.884 4.104 ( 0.000 -1.750 0.000) 1.750 4.198 ( 0.000 -0.569 0.000) 0.569 4.224 ( 0.000 3.491 0.000) 3.491 4.299 ( 0.000 -0.163 0.000) 0.163 4.438 ( 0.000 -0.814 0.000) 0.814 4.819 ( 0.000 -0.380 0.000) 0.380 4.955 ( 0.000 -1.722 0.000) 1.722 6.203 ( 0.000 0.439 0.000) 0.439 6.241 ( 0.000 -0.913 0.000) 0.913 8.193 ( 0.000 -0.451 0.000) 0.451 8.270 ( 0.000 -1.789 0.000) 1.789 12.541 ( 0.000 0.461 0.000) 0.461 12.571 ( 0.000 -0.585 0.000) 0.585 12.632 ( 0.000 2.078 0.000) 2.078 12.761 ( 0.000 0.476 0.000) 0.476 12.883 ( 0.000 1.708 0.000) 1.708 12.981 ( 0.000 0.648 0.000) 0.648 13.038 ( 0.000 1.782 0.000) 1.782 13.072 ( 0.000 2.069 0.000) 2.069 13.672 ( 0.000 1.254 0.000) 1.254 13.759 ( 0.000 0.139 0.000) 0.139 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.933 11.931 4.848) 12.912 0.404 ( 6.088 11.662 6.833) 14.824 0.630 ( 6.815 9.247 4.246) 12.246 0.949 ( 7.226 6.515 5.936) 11.397 1.010 ( -7.768 3.752 21.625) 23.283 1.124 ( -2.001 -1.078 -2.942) 3.718 1.381 ( 0.309 0.038 -0.501) 0.590 1.452 ( 0.134 -3.184 2.561) 4.088 1.489 ( 1.358 2.062 -3.027) 3.906 1.599 ( -0.317 2.890 4.301) 5.191 1.648 ( 0.007 1.696 0.831) 1.889 1.873 ( -0.659 2.846 -1.994) 3.537 1.932 ( 2.914 -5.652 4.537) 7.811 2.016 ( 1.750 -0.913 -1.644) 2.569 2.056 ( 3.003 -0.242 -1.428) 3.334 2.221 ( -0.782 -1.146 0.855) 1.629 2.234 ( -2.612 -3.632 -1.089) 4.604 2.268 ( -5.834 0.283 -0.948) 5.918 2.293 ( 0.575 0.814 -3.585) 3.721 2.393 ( -3.902 -1.946 -1.667) 4.668 2.516 ( -3.875 1.108 2.509) 4.747 2.573 ( 3.326 -0.749 1.216) 3.620 2.587 ( 0.607 -0.552 -2.442) 2.576 2.689 ( -0.925 -5.211 -1.926) 5.632 2.771 ( 4.396 -0.358 1.432) 4.637 2.785 ( -1.735 -3.314 0.284) 3.752 2.947 ( -1.232 2.788 -1.824) 3.552 3.024 ( -0.234 0.244 0.671) 0.751 3.150 ( -0.658 1.349 -3.278) 3.605 3.241 ( 1.150 2.333 -2.291) 3.466 3.371 ( -0.642 1.265 0.387) 1.470 3.451 ( -2.297 -1.145 0.226) 2.576 3.468 ( -0.244 1.117 0.826) 1.411 3.539 ( 0.495 -0.478 -1.232) 1.411 3.625 ( 0.004 0.458 0.669) 0.811 3.642 ( -1.612 1.656 1.902) 2.993 3.825 ( 0.409 -2.886 4.412) 5.288 3.862 ( 8.292 -5.592 -0.470) 10.012 3.979 ( -1.493 2.205 -1.665) 3.140 4.036 ( -3.374 -1.270 -1.214) 3.804 4.213 ( 0.250 2.423 0.533) 2.493 4.266 ( 3.075 -0.227 0.552) 3.132 4.314 ( 1.488 -0.258 0.202) 1.524 4.425 ( -0.067 -0.543 -1.873) 1.951 4.818 ( -0.502 -0.507 -0.124) 0.724 4.924 ( -0.233 -0.645 -2.388) 2.484 6.208 ( 0.107 0.337 0.744) 0.824 6.235 ( -0.579 -0.683 -0.335) 0.956 8.206 ( 0.553 -1.088 0.570) 1.347 8.251 ( -1.086 -0.589 -0.115) 1.240 12.554 ( 0.950 0.288 0.673) 1.200 12.570 ( -0.153 0.120 -0.103) 0.220 12.626 ( 0.720 1.856 -2.121) 2.909 12.697 ( -0.356 4.692 -3.126) 5.649 12.884 ( -1.774 -0.087 0.740) 1.924 12.972 ( -1.263 1.488 1.562) 2.499 13.038 ( 0.362 1.903 -0.674) 2.051 13.084 ( 0.891 1.796 0.751) 2.141 13.678 ( 0.360 1.179 0.468) 1.319 13.757 ( -0.067 0.172 -0.255) 0.315 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 2.355 6.132 8.749) 10.940 0.612 ( 6.749 7.933 8.149) 13.225 0.753 ( 6.440 -0.016 -4.122) 7.646 1.023 ( -2.295 0.509 -5.158) 5.669 1.048 ( -2.458 4.715 9.092) 10.533 1.254 ( 5.666 0.403 13.199) 14.369 1.351 ( -0.709 -4.415 -0.589) 4.510 1.450 ( 0.333 1.860 -0.317) 1.916 1.496 ( -0.666 0.282 2.818) 2.910 1.617 ( -0.749 -0.052 0.277) 0.801 1.721 ( 3.327 6.043 3.369) 7.677 1.834 ( -1.323 2.354 -1.733) 3.208 1.985 ( -2.045 -2.447 -0.367) 3.210 2.031 ( 0.679 -1.143 -0.681) 1.494 2.055 ( 0.634 1.932 -3.677) 4.201 2.148 ( -2.796 -0.265 0.385) 2.835 2.195 ( -2.391 -0.121 -1.719) 2.947 2.229 ( 1.149 -3.808 2.647) 4.778 2.299 ( 1.350 -2.153 -0.833) 2.674 2.340 ( -0.376 -1.409 -0.383) 1.508 2.496 ( -1.674 1.252 3.984) 4.499 2.526 ( -2.075 -2.916 -2.783) 4.534 2.602 ( -2.224 1.049 -2.193) 3.295 2.656 ( 2.243 -2.046 -2.341) 3.833 2.765 ( -1.475 -4.327 0.484) 4.597 2.848 ( 1.447 1.759 -0.023) 2.278 2.919 ( 1.495 3.833 -1.669) 4.439 2.995 ( -1.790 1.509 -1.567) 2.817 3.143 ( 2.588 1.052 -2.569) 3.795 3.222 ( -0.140 1.625 -3.634) 3.983 3.362 ( -1.055 0.151 0.266) 1.099 3.399 ( -1.698 1.423 0.629) 2.303 3.503 ( 1.248 -0.131 2.490) 2.788 3.575 ( 0.880 -2.540 2.252) 3.507 3.619 ( -2.120 1.297 0.233) 2.496 3.650 ( 1.315 -0.619 1.893) 2.387 3.850 ( -2.586 -1.113 -2.685) 3.890 3.919 ( -1.400 0.198 2.345) 2.738 3.945 ( 2.118 -3.384 0.550) 4.029 4.022 ( 1.361 -0.327 0.071) 1.402 4.224 ( 0.333 1.937 0.477) 2.022 4.302 ( 1.240 -0.523 -0.420) 1.410 4.341 ( 1.467 -0.043 -0.476) 1.542 4.403 ( 0.823 -0.494 -2.540) 2.715 4.798 ( -0.821 -0.055 -1.159) 1.421 4.913 ( 0.522 -1.478 -0.159) 1.575 6.217 ( -0.958 -0.380 -0.430) 1.117 6.223 ( 0.232 0.111 1.273) 1.298 8.209 ( -0.154 -0.934 -0.594) 1.117 8.248 ( 0.146 -1.002 0.756) 1.264 12.554 ( -0.581 1.564 -0.999) 1.944 12.586 ( 1.420 0.235 0.984) 1.743 12.620 ( 1.256 1.271 -1.547) 2.364 12.691 ( 1.241 3.356 -0.605) 3.629 12.848 ( -2.601 -0.182 -0.213) 2.616 12.976 ( -0.816 1.355 1.917) 2.485 13.034 ( 0.437 2.181 -1.146) 2.503 13.114 ( 1.272 1.659 1.141) 2.382 13.694 ( 0.721 0.964 0.802) 1.447 13.752 ( -0.072 0.214 -0.372) 0.435 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.170 2.068 12.157) 12.332 0.779 ( 7.104 0.516 -7.521) 10.358 0.800 ( 3.622 5.229 4.370) 7.717 0.896 ( 0.266 -1.009 -4.439) 4.560 1.123 ( -1.722 5.232 6.772) 8.729 1.363 ( 3.080 -3.358 0.767) 4.621 1.383 ( -0.590 -4.688 1.826) 5.066 1.494 ( 1.542 -2.149 3.053) 4.040 1.532 ( -0.484 1.974 0.436) 2.079 1.609 ( -0.310 -1.849 0.946) 2.100 1.751 ( -6.207 0.751 -1.207) 6.368 1.779 ( -0.071 5.584 -1.083) 5.688 1.895 ( -4.104 2.588 -0.492) 4.877 2.030 ( 0.532 1.019 2.493) 2.745 2.043 ( 0.675 -1.186 -2.451) 2.805 2.113 ( -0.162 -1.449 -0.219) 1.475 2.198 ( 2.827 0.271 0.732) 2.933 2.292 ( 1.812 -2.180 2.163) 3.566 2.323 ( 1.134 -1.045 0.831) 1.752 2.355 ( 1.369 -1.521 -0.282) 2.065 2.461 ( -3.761 -2.284 -2.605) 5.114 2.499 ( -2.128 0.899 -0.845) 2.460 2.586 ( 3.417 -3.030 3.732) 5.898 2.663 ( 0.896 3.043 -2.249) 3.889 2.723 ( -3.036 -2.723 -0.996) 4.198 2.817 ( -0.516 5.005 -3.552) 6.158 2.912 ( -2.171 0.482 -2.818) 3.590 2.985 ( 2.234 4.718 0.457) 5.240 3.154 ( 0.980 0.539 -0.577) 1.258 3.194 ( 2.379 -1.116 -3.172) 4.119 3.359 ( -0.686 1.717 1.840) 2.609 3.400 ( -0.418 0.435 1.827) 1.924 3.553 ( -4.058 1.585 0.191) 4.361 3.557 ( 2.216 -0.470 1.298) 2.611 3.612 ( 0.951 -1.609 -0.270) 1.888 3.719 ( 1.801 -1.188 3.607) 4.203 3.749 ( -3.476 1.044 -2.487) 4.400 3.910 ( -0.047 -1.867 -2.316) 2.975 3.993 ( 0.259 -2.141 3.275) 3.921 4.047 ( 0.826 -0.590 0.597) 1.177 4.235 ( 0.578 0.245 0.382) 0.735 4.296 ( -0.194 0.411 -1.739) 1.798 4.338 ( -0.126 0.047 -1.726) 1.732 4.404 ( 1.638 -0.697 -1.198) 2.146 4.776 ( -0.305 0.151 -0.873) 0.937 4.928 ( 0.611 -1.379 0.771) 1.694 6.198 ( -0.836 -0.256 -0.256) 0.912 6.242 ( 0.255 -0.284 1.211) 1.270 8.196 ( -0.354 -0.808 -0.686) 1.117 8.262 ( 0.439 -1.528 0.569) 1.689 12.535 ( -0.250 2.241 -1.037) 2.482 12.618 ( 1.441 0.155 0.179) 1.460 12.627 ( 0.657 1.407 0.031) 1.553 12.705 ( 0.777 3.708 -0.467) 3.817 12.807 ( -1.874 -1.138 -0.049) 2.193 12.986 ( -0.601 0.649 1.725) 1.939 13.026 ( 0.352 2.766 -1.301) 3.077 13.146 ( 1.027 1.992 1.005) 2.456 13.717 ( 0.815 0.656 0.786) 1.308 13.747 ( -0.025 0.204 -0.305) 0.368 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.832 0.879 8.188) 8.436 0.766 ( 0.176 1.964 -4.218) 4.657 0.812 ( 4.164 -1.222 -3.314) 5.460 1.035 ( 5.828 0.680 5.676) 8.163 1.150 ( -1.335 3.439 1.980) 4.187 1.386 ( 0.165 -3.606 0.501) 3.645 1.419 ( 2.379 -2.073 -1.769) 3.618 1.463 ( -0.378 -4.898 -3.350) 5.947 1.508 ( -5.002 -0.870 2.314) 5.580 1.608 ( 0.184 0.053 -1.827) 1.837 1.658 ( -1.669 2.189 0.222) 2.762 1.702 ( -3.683 3.460 -1.838) 5.377 1.903 ( 0.221 4.803 3.648) 6.035 1.991 ( -0.428 -0.942 -3.696) 3.839 2.125 ( 1.642 0.370 4.134) 4.464 2.138 ( 2.750 -1.944 -0.709) 3.441 2.251 ( 0.879 0.578 1.700) 1.999 2.308 ( -1.641 -2.995 -0.089) 3.417 2.335 ( 0.144 -2.546 -1.107) 2.780 2.354 ( -1.048 0.613 0.534) 1.327 2.380 ( 0.195 -1.437 -1.788) 2.302 2.501 ( 0.430 -1.231 0.803) 1.531 2.638 ( -0.702 4.427 -1.160) 4.630 2.643 ( -0.813 -3.797 -0.422) 3.906 2.723 ( 3.416 0.152 3.383) 4.810 2.783 ( 0.293 6.520 -1.826) 6.777 2.826 ( -3.576 0.241 -3.337) 4.897 3.019 ( 0.946 3.930 0.314) 4.055 3.168 ( 0.677 0.636 0.196) 0.949 3.204 ( 1.303 -0.973 -1.213) 2.029 3.384 ( 0.735 0.798 2.147) 2.406 3.414 ( 0.014 0.183 0.348) 0.394 3.485 ( -2.745 2.415 -0.832) 3.749 3.596 ( 0.924 0.065 0.440) 1.026 3.623 ( 0.592 -2.721 -0.173) 2.790 3.673 ( -1.662 2.294 -1.010) 3.008 3.802 ( 1.464 -0.431 3.911) 4.198 3.875 ( -0.434 -2.807 -3.101) 4.206 4.007 ( -0.345 -0.082 0.111) 0.371 4.070 ( 0.238 -2.704 1.423) 3.065 4.247 ( 0.313 -0.228 0.100) 0.400 4.272 ( -0.302 1.118 -1.156) 1.636 4.314 ( -0.341 -0.186 -0.935) 1.013 4.415 ( 0.661 -0.872 -0.382) 1.159 4.768 ( 0.001 0.381 -0.239) 0.449 4.943 ( 0.259 -0.988 0.404) 1.099 6.186 ( -0.328 -0.264 -0.066) 0.426 6.255 ( 0.112 -0.628 0.499) 0.810 8.186 ( -0.157 -0.791 -0.279) 0.854 8.272 ( 0.186 -1.840 0.185) 1.858 12.524 ( -0.020 2.442 -0.396) 2.474 12.632 ( 0.578 1.977 -0.336) 2.087 12.642 ( 0.278 0.188 0.492) 0.596 12.702 ( -0.233 4.368 -0.368) 4.389 12.792 ( -0.306 -2.162 0.180) 2.191 12.994 ( -0.313 -0.994 0.898) 1.376 13.018 ( 0.197 4.219 -0.780) 4.295 13.166 ( 0.381 2.361 0.397) 2.424 13.734 ( 0.398 0.442 0.349) 0.690 13.744 ( -0.026 0.140 -0.131) 0.194 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 10.064 0.000) 10.064 0.627 ( 0.000 10.513 0.000) 10.513 0.685 ( 0.000 0.623 0.000) 0.623 1.078 ( 0.000 12.107 0.000) 12.107 1.115 ( 0.000 18.932 0.000) 18.932 1.194 ( 0.000 5.843 0.000) 5.843 1.309 ( 0.000 -9.153 0.000) 9.153 1.450 ( 0.000 2.998 0.000) 2.998 1.588 ( 0.000 3.810 0.000) 3.810 1.631 ( 0.000 -1.992 0.000) 1.992 1.643 ( 0.000 7.544 0.000) 7.544 1.761 ( 0.000 -1.173 0.000) 1.173 1.965 ( 0.000 -0.474 0.000) 0.474 1.996 ( 0.000 0.165 0.000) 0.165 2.035 ( 0.000 -2.877 0.000) 2.877 2.153 ( 0.000 -4.307 0.000) 4.307 2.204 ( 0.000 -0.950 0.000) 0.950 2.242 ( 0.000 -4.883 0.000) 4.883 2.407 ( 0.000 0.599 0.000) 0.599 2.444 ( 0.000 -1.927 0.000) 1.927 2.485 ( 0.000 -1.452 0.000) 1.452 2.517 ( 0.000 -1.922 0.000) 1.922 2.583 ( 0.000 -4.755 0.000) 4.755 2.596 ( 0.000 1.091 0.000) 1.091 2.753 ( 0.000 2.376 0.000) 2.376 2.759 ( 0.000 -1.207 0.000) 1.207 2.992 ( 0.000 0.554 0.000) 0.554 3.042 ( 0.000 2.686 0.000) 2.686 3.153 ( 0.000 -2.858 0.000) 2.858 3.182 ( 0.000 -4.373 0.000) 4.373 3.389 ( 0.000 -0.371 0.000) 0.371 3.450 ( 0.000 -0.380 0.000) 0.380 3.476 ( 0.000 0.663 0.000) 0.663 3.599 ( 0.000 0.073 0.000) 0.073 3.653 ( 0.000 1.925 0.000) 1.925 3.670 ( 0.000 -2.614 0.000) 2.614 3.678 ( 0.000 1.335 0.000) 1.335 3.744 ( 0.000 -2.710 0.000) 2.710 4.023 ( 0.000 1.624 0.000) 1.624 4.077 ( 0.000 -1.144 0.000) 1.144 4.196 ( 0.000 0.668 0.000) 0.668 4.274 ( 0.000 0.763 0.000) 0.763 4.304 ( 0.000 1.420 0.000) 1.420 4.416 ( 0.000 -1.513 0.000) 1.513 4.815 ( 0.000 0.119 0.000) 0.119 4.913 ( 0.000 -2.584 0.000) 2.584 6.210 ( 0.000 0.247 0.000) 0.247 6.223 ( 0.000 -0.904 0.000) 0.904 8.183 ( 0.000 -0.491 0.000) 0.491 8.229 ( 0.000 -2.278 0.000) 2.278 12.546 ( 0.000 0.030 0.000) 0.030 12.558 ( 0.000 -0.705 0.000) 0.705 12.671 ( 0.000 1.955 0.000) 1.955 12.760 ( 0.000 -0.743 0.000) 0.743 12.931 ( 0.000 3.218 0.000) 3.218 13.000 ( 0.000 1.215 0.000) 1.215 13.085 ( 0.000 2.947 0.000) 2.947 13.117 ( 0.000 2.385 0.000) 2.385 13.704 ( 0.000 1.921 0.000) 1.921 13.762 ( 0.000 0.088 0.000) 0.088 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -2.411 6.937 5.830) 9.377 0.616 ( 1.730 8.726 2.044) 9.127 0.736 ( 3.087 3.315 0.868) 4.612 1.095 ( -2.211 7.098 2.584) 7.871 1.139 ( -1.970 4.515 -0.982) 5.023 1.188 ( 3.840 11.082 2.961) 12.096 1.309 ( -1.610 -5.229 0.311) 5.480 1.461 ( 1.839 1.773 0.071) 2.556 1.528 ( -1.319 3.250 -3.332) 4.838 1.647 ( -1.214 0.080 1.488) 1.922 1.737 ( 4.518 9.060 6.800) 12.196 1.848 ( 4.013 -3.191 5.347) 7.408 1.913 ( -1.713 0.364 -2.059) 2.703 2.016 ( 2.505 0.511 -0.216) 2.566 2.050 ( 0.148 -0.908 0.443) 1.021 2.134 ( -0.390 -5.734 -2.773) 6.382 2.202 ( -3.034 -1.337 -0.650) 3.379 2.250 ( 1.541 -0.316 2.455) 2.915 2.349 ( -4.308 -1.466 -1.306) 4.735 2.354 ( -5.012 2.701 -2.419) 6.185 2.489 ( -2.297 -4.673 0.469) 5.228 2.513 ( -0.883 -1.783 1.467) 2.472 2.582 ( -0.591 -4.724 -0.946) 4.854 2.637 ( 4.498 0.766 -1.372) 4.765 2.719 ( -2.305 -1.387 -1.561) 3.111 2.800 ( 4.129 1.629 1.818) 4.796 2.973 ( -0.815 0.537 -1.602) 1.876 3.058 ( 0.469 2.717 0.347) 2.779 3.135 ( 0.799 -1.717 -2.106) 2.832 3.208 ( 3.124 -4.342 -1.338) 5.514 3.387 ( -0.716 0.045 -1.055) 1.276 3.450 ( -1.216 0.726 -0.560) 1.523 3.470 ( 0.560 -0.219 2.692) 2.759 3.554 ( -1.112 1.446 -3.743) 4.163 3.628 ( -1.705 -0.011 1.035) 1.995 3.677 ( -1.619 1.210 2.817) 3.467 3.773 ( 5.563 -3.531 2.069) 6.906 3.776 ( 1.540 -2.203 2.431) 3.624 4.022 ( -2.867 0.973 -2.675) 4.040 4.027 ( 0.111 1.446 -0.014) 1.450 4.228 ( 1.719 -0.352 0.703) 1.890 4.276 ( 0.981 0.322 -0.863) 1.345 4.312 ( 0.610 0.718 0.676) 1.159 4.408 ( -0.163 -1.296 -1.077) 1.693 4.811 ( -0.457 -0.062 -0.084) 0.469 4.894 ( -0.406 -2.172 -1.920) 2.927 6.212 ( -0.000 0.048 0.398) 0.401 6.222 ( -0.204 -0.594 -0.035) 0.629 8.189 ( 0.383 -0.744 0.115) 0.844 8.224 ( -0.402 -1.890 -0.099) 1.935 12.555 ( 0.698 -0.091 0.507) 0.867 12.569 ( 0.820 -0.269 0.577) 1.038 12.663 ( 0.062 1.892 -1.490) 2.409 12.743 ( -0.195 0.219 -1.681) 1.706 12.916 ( -1.687 3.217 -0.181) 3.637 12.998 ( -0.084 1.152 -0.170) 1.167 13.089 ( 0.469 3.237 0.004) 3.271 13.126 ( 0.496 2.313 0.850) 2.513 13.707 ( 0.161 1.832 0.456) 1.895 13.760 ( -0.124 0.160 -0.019) 0.203 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -1.591 6.354 8.808) 10.977 0.724 ( 4.276 0.891 1.931) 4.776 0.800 ( 3.848 6.396 2.563) 7.891 1.052 ( -1.106 3.358 -5.755) 6.754 1.115 ( 0.207 -0.073 1.834) 1.847 1.270 ( -1.449 -0.515 2.122) 2.621 1.287 ( 1.461 1.373 1.034) 2.256 1.440 ( -0.593 -1.302 -1.297) 1.931 1.575 ( 2.877 5.759 4.106) 7.636 1.618 ( -2.555 0.822 -0.628) 2.756 1.841 ( 2.143 4.878 -0.336) 5.338 1.876 ( -3.683 -0.688 1.195) 3.933 1.924 ( 0.690 -0.407 2.079) 2.228 2.014 ( -3.232 -0.898 -2.177) 3.999 2.083 ( 2.211 0.711 -0.985) 2.523 2.124 ( 0.786 -3.615 3.322) 4.972 2.151 ( -0.625 -1.199 0.336) 1.393 2.252 ( -4.247 5.366 -0.081) 6.844 2.290 ( 0.241 -2.019 -0.489) 2.091 2.316 ( 1.355 1.405 1.515) 2.471 2.439 ( -1.593 -4.370 -1.285) 4.825 2.520 ( -0.577 0.287 2.341) 2.428 2.539 ( -2.699 -4.508 -1.515) 5.468 2.675 ( -0.046 -2.802 -1.013) 2.980 2.705 ( 3.624 1.531 -1.077) 4.079 2.900 ( 4.336 2.386 2.372) 5.488 2.930 ( -0.996 -0.941 -3.419) 3.683 3.061 ( 0.820 3.925 -0.544) 4.046 3.146 ( 3.391 -0.426 -2.384) 4.167 3.202 ( -0.584 -3.065 -4.665) 5.613 3.370 ( 0.469 0.449 1.114) 1.290 3.425 ( -1.760 1.422 0.218) 2.273 3.505 ( 0.061 0.310 0.297) 0.434 3.534 ( 2.059 -1.275 0.140) 2.426 3.629 ( -0.959 0.374 3.065) 3.233 3.671 ( -1.668 1.832 1.105) 2.713 3.801 ( -0.411 -3.357 -0.872) 3.493 3.872 ( 1.050 -3.036 5.483) 6.355 3.958 ( -0.988 2.357 -3.001) 3.942 4.027 ( 0.714 1.041 -0.449) 1.340 4.242 ( 0.059 -0.276 -0.837) 0.884 4.292 ( 1.514 -0.590 -0.135) 1.630 4.335 ( 1.094 -0.405 0.413) 1.238 4.387 ( -0.194 -1.131 -1.795) 2.131 4.797 ( -0.620 0.135 -0.732) 0.969 4.878 ( 0.323 -2.158 -0.389) 2.217 6.210 ( -0.614 -0.319 -0.281) 0.747 6.223 ( 0.067 -0.135 0.714) 0.730 8.190 ( -0.052 -0.942 -0.508) 1.072 8.221 ( 0.051 -1.706 0.182) 1.716 12.575 ( 0.676 0.544 0.487) 0.996 12.593 ( 1.091 0.328 0.719) 1.347 12.648 ( 0.666 1.617 -1.553) 2.339 12.732 ( 0.691 0.092 -0.991) 1.212 12.877 ( -2.192 3.534 -0.825) 4.239 12.993 ( -0.161 0.485 -0.389) 0.642 13.099 ( 0.542 4.129 0.302) 4.176 13.152 ( 1.132 2.208 1.401) 2.850 13.719 ( 0.366 1.523 0.712) 1.720 13.757 ( -0.200 0.311 -0.060) 0.374 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -1.121 4.866 10.164) 11.324 0.761 ( 2.352 -0.488 -1.327) 2.745 0.897 ( 1.559 1.602 -3.346) 4.024 0.963 ( 1.827 9.190 -0.762) 9.401 1.169 ( 1.351 -1.987 2.540) 3.497 1.267 ( -1.379 -4.475 1.677) 4.973 1.318 ( 2.886 -2.993 -0.475) 4.185 1.439 ( -0.995 -4.181 -1.177) 4.456 1.557 ( -2.409 2.912 0.823) 3.868 1.652 ( 1.322 5.035 1.296) 5.364 1.740 ( -7.472 -1.620 -2.041) 7.913 1.882 ( -1.376 3.658 -3.239) 5.076 1.910 ( -1.971 0.225 1.108) 2.272 1.995 ( 3.743 -2.500 1.155) 4.646 2.072 ( 0.483 0.768 -1.264) 1.556 2.120 ( -3.653 0.624 1.023) 3.845 2.175 ( 1.940 -1.581 1.122) 2.743 2.265 ( 1.323 0.752 4.484) 4.735 2.307 ( -0.051 -1.797 1.288) 2.212 2.340 ( -0.294 -0.122 -1.565) 1.597 2.430 ( -0.494 -0.645 -0.184) 0.833 2.481 ( 0.137 -1.114 -1.536) 1.902 2.556 ( 1.127 0.469 2.264) 2.573 2.657 ( -1.034 -3.037 0.208) 3.215 2.734 ( 1.681 2.216 -2.298) 3.608 2.858 ( -1.633 -1.938 -5.057) 5.657 2.970 ( 1.625 6.225 1.155) 6.537 3.088 ( 2.618 5.036 -0.288) 5.683 3.152 ( 0.973 -0.666 -2.224) 2.517 3.181 ( 3.304 0.314 -1.548) 3.662 3.391 ( -0.972 0.550 2.020) 2.308 3.400 ( -1.376 0.632 0.317) 1.547 3.532 ( 2.581 -1.910 0.668) 3.280 3.557 ( 0.523 -0.857 -0.544) 1.142 3.620 ( -2.181 1.817 -0.235) 2.849 3.696 ( 0.534 -1.174 4.735) 4.908 3.757 ( -2.357 0.284 -1.064) 2.601 3.904 ( -1.130 1.108 -2.679) 3.111 3.941 ( 0.583 -3.139 3.541) 4.768 4.036 ( 0.637 -0.523 -0.837) 1.175 4.235 ( 0.334 -0.273 -0.284) 0.517 4.299 ( 0.397 0.153 -1.425) 1.488 4.337 ( -0.985 -0.342 -0.741) 1.279 4.380 ( 1.223 -1.859 -0.617) 2.309 4.783 ( -0.072 0.738 -0.509) 0.899 4.893 ( 0.765 -2.287 1.001) 2.611 6.194 ( -0.687 -0.018 -0.317) 0.757 6.232 ( 0.048 -0.714 0.631) 0.954 8.179 ( -0.298 -0.819 -0.642) 1.083 8.226 ( 0.225 -2.145 0.075) 2.158 12.581 ( 0.111 2.293 -0.351) 2.323 12.621 ( 1.240 0.122 0.650) 1.405 12.654 ( 1.091 1.205 -0.216) 1.639 12.739 ( 0.820 -1.211 -0.218) 1.479 12.832 ( -1.830 4.501 -1.089) 4.980 12.983 ( -0.354 -0.380 -0.537) 0.747 13.112 ( 0.433 5.162 0.427) 5.198 13.188 ( 1.143 2.234 1.297) 2.824 13.734 ( 0.452 1.058 0.630) 1.312 13.753 ( -0.175 0.430 -0.067) 0.469 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.217 0.937 2.925) 3.304 0.807 ( -4.101 2.364 5.929) 7.587 0.827 ( 5.490 2.478 -7.973) 9.992 1.071 ( 3.368 3.297 3.416) 5.821 1.194 ( -0.111 -0.741 0.544) 0.926 1.268 ( -0.851 -6.386 1.905) 6.719 1.355 ( 0.429 -4.304 -1.053) 4.451 1.377 ( 0.476 -4.282 -3.350) 5.458 1.535 ( -2.636 3.318 1.478) 4.488 1.614 ( -3.034 -0.450 -2.732) 4.108 1.687 ( 1.099 2.477 0.781) 2.820 1.795 ( -2.119 3.968 -1.472) 4.733 1.935 ( 0.400 -0.444 1.515) 1.629 2.005 ( -0.229 1.810 -2.150) 2.820 2.099 ( 0.549 -1.229 -0.281) 1.375 2.137 ( 2.674 -0.407 2.559) 3.723 2.213 ( 0.124 -3.393 1.478) 3.703 2.276 ( -1.953 -2.601 -0.456) 3.285 2.308 ( -1.615 1.938 3.061) 3.967 2.345 ( 1.105 -1.142 1.135) 1.953 2.382 ( -0.006 1.158 -4.150) 4.309 2.517 ( 2.533 0.177 0.556) 2.599 2.563 ( -1.832 0.126 -0.262) 1.855 2.670 ( 0.685 -2.941 1.004) 3.182 2.728 ( 0.586 0.910 0.372) 1.144 2.779 ( -1.473 -1.485 -4.072) 4.578 2.995 ( 0.529 11.089 0.416) 11.109 3.112 ( 0.940 5.093 -0.532) 5.207 3.178 ( 2.271 0.540 0.102) 2.336 3.203 ( 0.490 0.976 -0.437) 1.176 3.388 ( -0.477 -2.788 0.465) 2.866 3.398 ( -0.337 0.429 0.904) 1.056 3.537 ( -1.092 2.944 -0.916) 3.271 3.569 ( 1.195 -2.181 -0.523) 2.541 3.597 ( -0.411 -0.741 0.337) 0.912 3.716 ( -0.924 0.463 0.076) 1.036 3.771 ( 0.801 -0.637 4.439) 4.556 3.854 ( -0.446 0.679 -3.637) 3.727 3.984 ( -0.071 -2.849 3.347) 4.396 4.021 ( -0.054 -2.250 -2.385) 3.279 4.243 ( 0.313 0.275 0.202) 0.463 4.287 ( 0.264 0.503 -0.967) 1.122 4.310 ( -0.914 -0.285 -0.387) 1.032 4.390 ( 0.441 -1.834 -0.275) 1.906 4.782 ( 0.123 1.191 -0.067) 1.199 4.914 ( 0.391 -2.167 0.587) 2.279 6.183 ( -0.293 0.061 -0.124) 0.324 6.238 ( 0.004 -1.179 0.236) 1.202 8.170 ( -0.140 -0.746 -0.273) 0.807 8.228 ( 0.084 -2.529 -0.015) 2.530 12.578 ( 0.052 2.886 -0.229) 2.895 12.643 ( 0.655 0.059 0.295) 0.721 12.668 ( 0.488 1.427 0.109) 1.512 12.745 ( -0.031 -2.462 -0.030) 2.462 12.802 ( -0.478 5.656 -0.490) 5.697 12.973 ( -0.226 -0.924 -0.268) 0.988 13.121 ( 0.170 5.779 0.190) 5.784 13.213 ( 0.466 2.316 0.527) 2.420 13.745 ( 0.283 0.683 0.283) 0.792 13.750 ( -0.135 0.491 -0.061) 0.513 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 2.564 0.000) 2.564 0.670 ( 0.000 -1.604 0.000) 1.604 0.856 ( 0.000 13.102 0.000) 13.102 1.099 ( 0.000 -12.495 0.000) 12.495 1.256 ( 0.000 7.662 0.000) 7.662 1.344 ( 0.000 2.339 0.000) 2.339 1.398 ( 0.000 10.801 0.000) 10.801 1.464 ( 0.000 0.222 0.000) 0.222 1.635 ( 0.000 2.548 0.000) 2.548 1.647 ( 0.000 2.330 0.000) 2.330 1.745 ( 0.000 0.306 0.000) 0.306 1.811 ( 0.000 7.768 0.000) 7.768 1.877 ( 0.000 -10.876 0.000) 10.876 1.923 ( 0.000 -3.774 0.000) 3.774 2.020 ( 0.000 2.703 0.000) 2.703 2.102 ( 0.000 -5.990 0.000) 5.990 2.153 ( 0.000 3.025 0.000) 3.025 2.214 ( 0.000 -2.017 0.000) 2.017 2.376 ( 0.000 -0.254 0.000) 0.254 2.420 ( 0.000 -4.042 0.000) 4.042 2.465 ( 0.000 1.634 0.000) 1.634 2.491 ( 0.000 -1.229 0.000) 1.229 2.547 ( 0.000 0.608 0.000) 0.608 2.581 ( 0.000 -2.264 0.000) 2.264 2.765 ( 0.000 1.125 0.000) 1.125 2.777 ( 0.000 0.126 0.000) 0.126 3.025 ( 0.000 2.800 0.000) 2.800 3.072 ( 0.000 -0.532 0.000) 0.532 3.102 ( 0.000 -1.375 0.000) 1.375 3.119 ( 0.000 -2.224 0.000) 2.224 3.393 ( 0.000 1.119 0.000) 1.119 3.425 ( 0.000 -1.898 0.000) 1.898 3.508 ( 0.000 2.570 0.000) 2.570 3.568 ( 0.000 -3.455 0.000) 3.455 3.661 ( 0.000 1.630 0.000) 1.630 3.679 ( 0.000 0.937 0.000) 0.937 3.686 ( 0.000 -0.520 0.000) 0.520 3.701 ( 0.000 -1.652 0.000) 1.652 4.045 ( 0.000 0.822 0.000) 0.822 4.059 ( 0.000 -0.823 0.000) 0.823 4.224 ( 0.000 2.005 0.000) 2.005 4.260 ( 0.000 -1.562 0.000) 1.562 4.343 ( 0.000 2.203 0.000) 2.203 4.383 ( 0.000 -1.965 0.000) 1.965 4.829 ( 0.000 1.353 0.000) 1.353 4.865 ( 0.000 -2.391 0.000) 2.391 6.211 ( 0.000 -0.082 0.000) 0.082 6.212 ( 0.000 -0.239 0.000) 0.239 8.179 ( 0.000 0.168 0.000) 0.168 8.193 ( 0.000 -1.388 0.000) 1.388 12.545 ( 0.000 -0.088 0.000) 0.088 12.547 ( 0.000 -0.408 0.000) 0.408 12.705 ( 0.000 1.677 0.000) 1.677 12.736 ( 0.000 -1.607 0.000) 1.607 12.988 ( 0.000 2.456 0.000) 2.456 13.013 ( 0.000 -0.159 0.000) 0.159 13.135 ( 0.000 1.944 0.000) 1.944 13.148 ( 0.000 0.607 0.000) 0.607 13.738 ( 0.000 1.561 0.000) 1.561 13.758 ( 0.000 -0.573 0.000) 0.573 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -2.766 3.101 5.353) 6.777 0.675 ( 0.191 -1.129 1.384) 1.796 0.867 ( 0.819 10.245 1.210) 10.349 1.066 ( -1.433 -10.047 -2.142) 10.372 1.221 ( -1.819 6.878 -3.139) 7.776 1.305 ( -1.721 -0.104 -3.220) 3.652 1.397 ( 0.943 8.365 -1.377) 8.530 1.461 ( -0.422 -0.848 -2.543) 2.714 1.619 ( 0.799 5.438 0.160) 5.498 1.660 ( 0.636 2.229 2.252) 3.232 1.776 ( 1.807 -3.757 0.006) 4.169 1.832 ( -0.039 -5.429 -0.891) 5.501 1.922 ( 3.392 4.316 4.991) 7.419 1.994 ( 3.214 -3.332 3.568) 5.845 2.044 ( 0.842 3.002 2.737) 4.148 2.085 ( -2.775 -0.803 0.454) 2.924 2.188 ( 0.089 0.981 2.169) 2.382 2.236 ( 0.485 -2.604 4.308) 5.057 2.328 ( -3.285 1.711 -1.385) 3.954 2.394 ( -2.031 -4.490 -0.464) 4.950 2.427 ( -2.493 3.448 -2.051) 4.723 2.479 ( -0.835 -2.155 -0.856) 2.465 2.534 ( -1.551 0.231 0.252) 1.588 2.591 ( 2.512 -4.379 -1.194) 5.187 2.746 ( -0.403 3.106 -1.584) 3.510 2.801 ( 2.823 -1.893 0.035) 3.400 3.010 ( -0.544 3.380 -1.856) 3.895 3.072 ( 0.250 -2.220 -0.757) 2.359 3.111 ( 2.154 0.116 -1.190) 2.464 3.135 ( 2.619 -2.644 -1.487) 4.007 3.395 ( -0.122 1.160 -0.129) 1.174 3.426 ( 0.548 -1.961 0.419) 2.079 3.509 ( 0.308 3.227 -0.288) 3.255 3.562 ( 0.072 -1.434 -2.429) 2.821 3.633 ( -2.537 0.849 2.445) 3.624 3.662 ( -2.132 -2.091 3.203) 4.379 3.741 ( 2.919 0.185 1.261) 3.186 3.753 ( 1.982 -0.819 2.727) 3.470 4.038 ( -0.446 1.105 -1.242) 1.721 4.050 ( 0.162 0.152 -0.676) 0.711 4.231 ( 0.762 0.930 -0.392) 1.265 4.258 ( 0.443 -1.644 -0.950) 1.949 4.342 ( -0.211 1.922 0.188) 1.942 4.378 ( -0.324 -1.854 -0.343) 1.913 4.821 ( -0.438 1.121 -0.537) 1.318 4.852 ( -0.411 -2.109 -1.204) 2.463 6.211 ( -0.058 0.017 0.115) 0.130 6.215 ( 0.034 -0.289 0.214) 0.362 8.181 ( 0.195 0.037 -0.077) 0.213 8.193 ( -0.005 -1.237 -0.080) 1.240 12.555 ( 0.828 0.128 0.647) 1.059 12.561 ( 1.027 -0.501 0.742) 1.363 12.696 ( -0.106 1.669 -1.274) 2.102 12.726 ( -0.134 -1.532 -1.236) 1.973 12.978 ( -0.862 2.742 -0.631) 2.943 13.007 ( -0.263 -0.394 -0.675) 0.825 13.143 ( 0.690 2.067 0.429) 2.221 13.156 ( 0.575 0.631 0.730) 1.124 13.740 ( -0.022 1.471 0.401) 1.525 13.759 ( -0.120 -0.482 0.239) 0.551 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -1.018 3.079 8.600) 9.191 0.717 ( 0.264 -1.033 4.680) 4.800 0.916 ( 2.616 6.171 1.962) 6.984 1.035 ( -0.262 -5.958 -0.269) 5.969 1.158 ( 0.259 5.774 -4.951) 7.611 1.238 ( -0.307 -2.354 -4.473) 5.064 1.354 ( -2.164 3.034 -4.317) 5.703 1.408 ( -1.887 -2.525 -1.810) 3.635 1.679 ( -0.225 7.035 1.675) 7.235 1.695 ( 2.312 6.078 1.866) 6.766 1.802 ( -2.345 -5.090 0.341) 5.615 1.827 ( 3.126 -6.712 1.174) 7.497 1.945 ( -2.411 2.261 -0.977) 3.447 1.999 ( -2.479 -2.849 -1.650) 4.122 2.083 ( -0.764 1.734 2.789) 3.371 2.104 ( 0.257 -0.306 1.476) 1.529 2.173 ( -1.904 3.047 0.467) 3.624 2.238 ( -2.066 -3.165 -0.327) 3.794 2.330 ( -0.757 2.371 3.841) 4.577 2.352 ( -1.818 -0.118 1.423) 2.312 2.409 ( 1.570 1.924 -0.451) 2.524 2.455 ( 0.097 -3.453 -0.988) 3.593 2.533 ( 0.542 2.724 1.819) 3.320 2.630 ( 2.638 -4.509 -0.508) 5.248 2.738 ( 1.104 4.301 -0.964) 4.544 2.844 ( 1.642 -5.347 -1.561) 5.808 2.992 ( 1.984 4.338 -0.530) 4.800 3.066 ( 1.091 -3.137 -1.404) 3.606 3.142 ( 3.204 0.609 -1.183) 3.470 3.162 ( 3.228 -1.290 -2.140) 4.082 3.400 ( 0.658 2.705 0.684) 2.867 3.439 ( -0.387 -0.657 0.315) 0.825 3.509 ( 0.323 0.766 -0.834) 1.178 3.527 ( 0.154 -0.385 -2.458) 2.493 3.640 ( -1.186 0.850 3.614) 3.898 3.669 ( -1.988 -2.035 2.802) 3.993 3.776 ( 0.374 1.325 1.103) 1.764 3.819 ( 0.677 -2.675 3.953) 4.820 4.007 ( -0.970 2.646 -2.390) 3.695 4.041 ( -0.155 -0.377 -1.424) 1.481 4.235 ( 0.788 0.456 -0.937) 1.307 4.265 ( 1.776 -2.126 -0.194) 2.777 4.340 ( -0.369 0.932 0.081) 1.005 4.363 ( -0.750 -1.378 -0.788) 1.755 4.808 ( -0.269 1.099 -0.452) 1.219 4.838 ( 0.071 -1.965 -0.400) 2.007 6.209 ( -0.311 0.251 -0.079) 0.408 6.217 ( -0.102 -0.484 0.229) 0.545 8.180 ( 0.003 -0.006 -0.439) 0.439 8.192 ( 0.065 -1.207 -0.199) 1.225 12.583 ( 1.260 0.450 1.051) 1.701 12.592 ( 1.336 -0.408 0.992) 1.713 12.679 ( 0.232 1.664 -1.515) 2.263 12.711 ( 0.188 -1.683 -1.318) 2.146 12.949 ( -1.158 3.349 -1.208) 3.744 12.990 ( -0.514 -1.014 -1.123) 1.598 13.165 ( 1.072 2.460 0.881) 2.824 13.183 ( 1.128 0.600 1.277) 1.807 13.746 ( 0.007 1.181 0.557) 1.306 13.759 ( -0.196 -0.242 0.297) 0.430 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -1.852 2.532 6.219) 6.966 0.779 ( -0.278 1.134 7.437) 7.528 0.949 ( 0.293 3.917 -3.143) 5.030 1.047 ( 0.857 -5.488 0.699) 5.599 1.128 ( 2.166 5.307 -2.839) 6.397 1.226 ( 2.707 -3.644 -1.153) 4.684 1.279 ( -1.644 1.492 -1.803) 2.860 1.350 ( -2.401 -4.790 -2.058) 5.740 1.636 ( -3.080 4.102 -0.203) 5.134 1.689 ( -5.031 -1.843 -1.289) 5.511 1.776 ( -0.562 6.103 -0.553) 6.154 1.880 ( -0.910 -3.753 -2.843) 4.795 1.920 ( 0.493 0.794 0.647) 1.136 1.951 ( 2.017 -2.176 0.474) 3.005 2.078 ( 0.004 0.422 0.042) 0.424 2.096 ( -1.287 -1.561 1.217) 2.361 2.173 ( -0.172 1.477 0.973) 1.777 2.224 ( -0.489 -3.455 1.912) 3.979 2.341 ( -1.273 1.832 0.798) 2.369 2.375 ( 1.879 2.929 1.388) 3.746 2.398 ( -2.268 -0.426 -0.118) 2.310 2.468 ( 2.111 -2.538 -1.511) 3.631 2.580 ( 0.124 2.881 3.825) 4.790 2.652 ( 0.635 -0.811 0.210) 1.051 2.731 ( -0.075 1.256 -2.882) 3.145 2.807 ( 0.174 -3.626 -4.860) 6.066 3.066 ( 3.706 3.375 2.922) 5.802 3.109 ( 3.787 -1.435 2.148) 4.584 3.177 ( 2.088 1.635 -0.840) 2.782 3.191 ( 3.708 0.623 -3.059) 4.847 3.405 ( -1.663 1.658 -0.069) 2.349 3.420 ( -0.991 0.532 -0.582) 1.267 3.509 ( 1.780 -0.186 -0.526) 1.866 3.530 ( 1.657 -1.923 -0.925) 2.701 3.647 ( -2.374 0.926 1.208) 2.820 3.667 ( -1.272 -1.544 2.536) 3.231 3.790 ( -0.526 3.228 2.188) 3.935 3.863 ( -0.598 -4.186 4.084) 5.879 3.954 ( -1.102 3.055 -3.470) 4.753 4.011 ( -0.593 -2.520 -2.625) 3.687 4.249 ( 1.299 2.199 0.331) 2.576 4.294 ( 1.076 -1.429 -0.094) 1.791 4.328 ( -0.853 -0.199 -0.558) 1.038 4.342 ( -0.233 -1.673 -0.650) 1.810 4.806 ( 0.279 1.753 0.124) 1.780 4.847 ( 0.623 -2.450 0.743) 2.635 6.200 ( -0.460 0.624 -0.236) 0.811 6.216 ( -0.209 -0.965 0.079) 0.991 8.172 ( -0.163 0.217 -0.566) 0.628 8.189 ( 0.016 -1.546 -0.348) 1.585 12.612 ( 0.810 0.976 0.601) 1.403 12.621 ( 1.076 -0.152 0.655) 1.269 12.675 ( 0.804 1.232 -0.530) 1.564 12.705 ( 0.382 -1.882 -0.656) 2.029 12.918 ( -0.898 3.890 -1.182) 4.163 12.968 ( -0.577 -1.532 -1.064) 1.953 13.193 ( 0.928 3.001 0.858) 3.257 13.217 ( 1.113 0.402 1.192) 1.679 13.752 ( 0.062 0.768 0.441) 0.888 13.759 ( -0.168 0.041 0.212) 0.273 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.605 4.350 3.618) 5.690 0.836 ( -2.538 -0.129 4.603) 5.258 0.888 ( 0.707 4.841 -4.689) 6.777 1.041 ( -0.768 -10.476 -1.417) 10.600 1.160 ( 1.995 5.973 0.874) 6.358 1.258 ( 0.053 1.031 0.960) 1.410 1.273 ( 1.464 -4.689 0.279) 4.920 1.300 ( -0.677 -3.303 -2.216) 4.034 1.591 ( -2.405 1.760 0.652) 3.051 1.601 ( -2.455 -0.106 -1.514) 2.887 1.758 ( 0.303 3.879 -1.157) 4.059 1.809 ( -1.058 -1.627 -2.016) 2.798 1.942 ( 0.225 1.611 0.486) 1.698 1.998 ( 0.883 -3.248 0.282) 3.378 2.098 ( 1.427 1.307 0.206) 1.946 2.121 ( 2.321 -1.045 1.052) 2.754 2.178 ( -1.296 0.477 1.136) 1.788 2.218 ( -1.764 -3.079 0.255) 3.557 2.340 ( 0.420 0.902 0.552) 1.138 2.360 ( -1.483 0.237 -0.256) 1.524 2.414 ( 1.009 3.498 0.759) 3.719 2.475 ( 0.709 -1.813 -1.141) 2.256 2.609 ( -0.623 -0.444 2.637) 2.746 2.662 ( -0.787 -4.012 0.593) 4.131 2.683 ( 0.178 5.552 -3.065) 6.344 2.772 ( 0.644 -2.066 -2.611) 3.391 3.152 ( 1.327 4.329 3.935) 5.999 3.185 ( 1.036 3.063 -2.150) 3.883 3.198 ( 2.201 -0.178 2.780) 3.550 3.210 ( 2.271 0.105 -2.162) 3.137 3.362 ( -1.680 0.996 -1.310) 2.352 3.392 ( -1.062 -1.188 -0.900) 1.830 3.536 ( 1.089 -0.467 -0.251) 1.211 3.554 ( 1.726 -1.722 0.102) 2.441 3.613 ( -2.202 2.787 0.332) 3.567 3.670 ( -0.653 -3.248 0.756) 3.398 3.822 ( 0.293 4.015 3.660) 5.441 3.882 ( -1.018 0.793 -1.129) 1.714 3.919 ( 0.140 -2.199 1.651) 2.753 3.965 ( -0.510 -3.729 -3.635) 5.232 4.273 ( 0.629 2.462 0.481) 2.586 4.293 ( -0.105 0.048 -0.549) 0.561 4.306 ( -0.611 0.244 -0.431) 0.786 4.345 ( 0.365 -2.923 0.033) 2.946 4.815 ( 0.258 2.314 0.220) 2.339 4.865 ( 0.382 -2.852 0.516) 2.923 6.192 ( -0.220 0.846 -0.126) 0.883 6.213 ( -0.116 -1.343 -0.004) 1.348 8.165 ( -0.091 0.365 -0.259) 0.457 8.186 ( -0.017 -1.819 -0.186) 1.828 12.622 ( 0.198 1.632 0.002) 1.644 12.640 ( 0.483 -0.461 0.237) 0.709 12.686 ( 0.479 0.701 0.080) 0.852 12.705 ( 0.143 -1.559 -0.098) 1.568 12.898 ( -0.316 4.117 -0.498) 4.159 12.951 ( -0.280 -1.730 -0.454) 1.810 13.211 ( 0.363 3.381 0.348) 3.418 13.240 ( 0.456 0.214 0.485) 0.699 13.757 ( 0.068 0.435 0.173) 0.473 13.758 ( -0.088 0.255 0.063) 0.277 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 1.486 0.000 18.652) 18.711 0.447 ( -4.863 0.000 20.160) 20.738 0.541 ( -3.848 0.000 21.615) 21.955 0.990 ( -6.589 0.000 16.477) 17.746 1.141 ( -2.257 0.000 -3.479) 4.147 1.323 ( 5.606 0.000 -2.812) 6.271 1.342 ( 3.333 0.000 -0.171) 3.337 1.475 ( -2.738 0.000 -0.010) 2.738 1.560 ( 3.136 0.000 -2.803) 4.206 1.610 ( -1.989 0.000 -0.721) 2.116 1.798 ( -15.733 0.000 3.919) 16.214 1.804 ( -1.224 0.000 -4.517) 4.679 1.978 ( 0.649 0.000 -3.042) 3.110 1.983 ( 1.027 0.000 -4.646) 4.758 2.074 ( -0.515 0.000 0.188) 0.548 2.232 ( 2.061 0.000 -4.229) 4.705 2.241 ( -1.395 0.000 -1.070) 1.758 2.310 ( -3.720 0.000 -4.776) 6.054 2.316 ( -0.966 0.000 3.670) 3.795 2.458 ( -2.235 0.000 2.276) 3.190 2.464 ( -0.958 0.000 -0.762) 1.224 2.599 ( 2.854 0.000 -0.165) 2.859 2.682 ( 3.137 0.000 0.651) 3.204 2.690 ( -0.595 0.000 -2.243) 2.320 2.739 ( 1.666 0.000 -3.665) 4.026 2.854 ( -1.234 0.000 -0.103) 1.238 2.892 ( 7.820 0.000 -1.386) 7.942 2.928 ( -1.580 0.000 -3.383) 3.733 3.034 ( 1.215 0.000 2.290) 2.592 3.197 ( -0.809 0.000 -2.122) 2.271 3.367 ( 0.425 0.000 -0.105) 0.438 3.455 ( 2.264 0.000 2.941) 3.711 3.457 ( -1.574 0.000 -2.455) 2.917 3.554 ( 2.259 0.000 2.039) 3.043 3.626 ( -0.538 0.000 1.864) 1.940 3.663 ( -1.194 0.000 2.299) 2.591 3.749 ( 5.332 0.000 2.765) 6.006 3.938 ( -0.737 0.000 -2.465) 2.573 4.013 ( -4.530 0.000 1.233) 4.695 4.112 ( -3.254 0.000 -1.650) 3.648 4.184 ( -0.010 0.000 1.034) 1.034 4.221 ( 2.820 0.000 1.062) 3.013 4.300 ( 0.783 0.000 -0.153) 0.798 4.410 ( -0.660 0.000 -3.037) 3.108 4.839 ( -1.503 0.000 0.248) 1.523 4.844 ( 3.813 0.000 0.073) 3.813 6.208 ( 0.373 0.000 0.850) 0.928 6.251 ( -0.594 0.000 -0.044) 0.596 8.234 ( -0.557 0.000 -0.137) 0.573 8.235 ( 1.717 0.000 -0.166) 1.725 12.539 ( 1.006 0.000 0.322) 1.057 12.582 ( -1.833 0.000 -0.555) 1.915 12.609 ( 0.880 0.000 0.217) 0.907 12.616 ( -5.098 0.000 0.163) 5.100 12.917 ( -0.668 0.000 0.067) 0.671 12.961 ( 2.720 0.000 -1.294) 3.012 13.037 ( -1.698 0.000 0.977) 1.959 13.054 ( 0.749 0.000 0.254) 0.791 13.670 ( -0.018 0.000 0.859) 0.859 13.748 ( 0.103 0.000 -0.834) 0.841 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -6.831 0.000 19.522) 20.682 0.630 ( 0.116 0.000 17.723) 17.723 0.729 ( -1.860 0.000 7.607) 7.832 1.026 ( -4.271 0.000 -7.596) 8.714 1.110 ( 2.755 0.000 11.538) 11.862 1.371 ( 1.137 0.000 -5.750) 5.862 1.374 ( 4.243 0.000 -3.108) 5.260 1.458 ( -5.440 0.000 17.087) 17.932 1.573 ( -3.069 0.000 2.304) 3.837 1.595 ( 3.509 0.000 -1.592) 3.853 1.725 ( -4.846 0.000 10.288) 11.372 1.744 ( 1.575 0.000 -5.090) 5.328 1.954 ( 1.900 0.000 -6.201) 6.486 1.977 ( 3.150 0.000 -1.398) 3.446 2.056 ( -1.988 0.000 0.035) 1.989 2.151 ( -1.022 0.000 -9.122) 9.179 2.213 ( -1.057 0.000 -0.454) 1.150 2.233 ( 0.137 0.000 -1.251) 1.259 2.369 ( 1.326 0.000 3.668) 3.901 2.407 ( -4.545 0.000 -0.252) 4.552 2.465 ( -0.216 0.000 2.606) 2.615 2.601 ( -0.824 0.000 -2.079) 2.237 2.610 ( -4.463 0.000 -0.919) 4.556 2.675 ( -0.068 0.000 -4.426) 4.426 2.805 ( 3.445 0.000 1.084) 3.612 2.826 ( -0.040 0.000 -0.134) 0.140 2.840 ( -2.251 0.000 -3.816) 4.431 2.945 ( 1.696 0.000 -3.823) 4.183 3.081 ( 2.046 0.000 1.990) 2.854 3.160 ( -0.307 0.000 -2.801) 2.818 3.385 ( 0.965 0.000 1.179) 1.523 3.392 ( -2.209 0.000 -2.297) 3.187 3.515 ( 0.809 0.000 2.914) 3.024 3.597 ( 0.939 0.000 -0.118) 0.946 3.655 ( 1.202 0.000 2.176) 2.486 3.663 ( -1.906 0.000 2.202) 2.912 3.867 ( -3.173 0.000 -4.256) 5.309 3.877 ( 5.390 0.000 0.656) 5.430 4.005 ( -0.153 0.000 3.287) 3.290 4.050 ( -2.375 0.000 0.194) 2.383 4.204 ( 0.421 0.000 2.057) 2.099 4.274 ( 2.292 0.000 -0.462) 2.338 4.315 ( 1.004 0.000 -0.198) 1.023 4.361 ( 0.074 0.000 -3.813) 3.814 4.811 ( -1.729 0.000 -0.323) 1.759 4.895 ( 2.720 0.000 -0.620) 2.790 6.228 ( 0.555 0.000 1.281) 1.396 6.235 ( -1.009 0.000 -0.355) 1.070 8.221 ( -0.616 0.000 -0.443) 0.758 8.253 ( 0.953 0.000 0.036) 0.953 12.543 ( -1.617 0.000 -0.967) 1.884 12.570 ( 1.578 0.000 1.064) 1.903 12.588 ( -0.292 0.000 0.493) 0.573 12.632 ( 1.324 0.000 0.416) 1.388 12.891 ( -2.179 0.000 -0.204) 2.188 12.978 ( 1.427 0.000 -1.043) 1.768 13.017 ( -1.877 0.000 1.036) 2.144 13.080 ( 1.596 0.000 0.527) 1.681 13.684 ( 0.399 0.000 1.131) 1.199 13.740 ( 0.219 0.000 -1.064) 1.087 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -3.237 0.000 10.467) 10.956 0.718 ( -1.824 0.000 9.725) 9.895 0.810 ( -2.550 0.000 4.751) 5.392 0.878 ( 1.167 0.000 0.808) 1.419 1.230 ( -2.805 0.000 5.899) 6.532 1.321 ( 3.742 0.000 -7.116) 8.040 1.394 ( 3.922 0.000 -5.253) 6.555 1.559 ( -3.454 0.000 4.653) 5.795 1.607 ( 1.306 0.000 -3.707) 3.930 1.609 ( -2.687 0.000 14.769) 15.011 1.729 ( 1.504 0.000 -4.626) 4.864 1.789 ( -2.558 0.000 9.280) 9.627 1.880 ( -2.220 0.000 -4.554) 5.066 1.998 ( 0.499 0.000 -9.049) 9.063 2.039 ( 3.776 0.000 1.944) 4.247 2.099 ( 2.044 0.000 0.950) 2.254 2.191 ( -2.453 0.000 1.568) 2.912 2.265 ( 3.339 0.000 -0.112) 3.341 2.347 ( -1.062 0.000 0.219) 1.085 2.407 ( -1.552 0.000 2.297) 2.772 2.493 ( -1.809 0.000 3.330) 3.790 2.551 ( -1.470 0.000 -1.236) 1.921 2.598 ( 2.277 0.000 2.129) 3.117 2.602 ( -2.383 0.000 -4.139) 4.775 2.762 ( -1.577 0.000 -3.981) 4.282 2.767 ( -1.308 0.000 -4.300) 4.494 2.897 ( -1.582 0.000 -3.587) 3.920 2.908 ( 3.126 0.000 2.660) 4.105 3.125 ( 1.299 0.000 -3.830) 4.044 3.135 ( 1.787 0.000 1.494) 2.330 3.361 ( -0.374 0.000 0.687) 0.782 3.416 ( 0.326 0.000 1.969) 1.996 3.548 ( 0.850 0.000 0.814) 1.177 3.568 ( -1.929 0.000 -3.053) 3.611 3.657 ( -1.375 0.000 1.404) 1.965 3.712 ( 2.510 0.000 2.178) 3.323 3.759 ( -3.693 0.000 -3.641) 5.186 3.918 ( 0.919 0.000 -1.476) 1.739 4.031 ( -1.292 0.000 0.786) 1.512 4.064 ( 1.724 0.000 3.401) 3.813 4.236 ( 0.619 0.000 1.324) 1.461 4.270 ( -0.045 0.000 -2.460) 2.461 4.322 ( 0.090 0.000 0.104) 0.137 4.353 ( 2.721 0.000 -1.826) 3.277 4.784 ( -1.188 0.000 0.017) 1.188 4.925 ( 1.667 0.000 -0.293) 1.692 6.214 ( -0.976 0.000 -0.334) 1.032 6.251 ( 0.422 0.000 1.151) 1.226 8.206 ( -0.529 0.000 -0.467) 0.706 8.269 ( 0.939 0.000 0.084) 0.943 12.512 ( -0.904 0.000 -0.650) 1.113 12.591 ( 0.456 0.000 0.072) 0.461 12.613 ( 1.522 0.000 1.208) 1.943 12.656 ( 0.700 0.000 0.654) 0.958 12.851 ( -2.121 0.000 -0.161) 2.127 12.977 ( 0.435 0.000 -2.039) 2.084 13.011 ( -0.716 0.000 1.854) 1.988 13.111 ( 1.446 0.000 0.321) 1.481 13.706 ( 0.674 0.000 1.101) 1.291 13.733 ( 0.468 0.000 -1.069) 1.167 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -3.111 0.000 1.422) 3.421 0.725 ( 0.688 0.000 -4.881) 4.929 0.925 ( 2.099 0.000 16.151) 16.287 1.054 ( 3.045 0.000 10.707) 11.131 1.188 ( -2.770 0.000 -2.414) 3.674 1.334 ( 3.185 0.000 -1.389) 3.474 1.371 ( 3.675 0.000 -8.983) 9.705 1.533 ( -5.161 0.000 1.282) 5.318 1.535 ( -1.934 0.000 -6.934) 7.199 1.664 ( -5.771 0.000 9.623) 11.220 1.679 ( -1.550 0.000 -2.866) 3.259 1.805 ( -5.844 0.000 5.404) 7.960 1.820 ( 1.235 0.000 -5.219) 5.363 1.942 ( 2.799 0.000 -3.610) 4.568 2.135 ( 1.118 0.000 5.240) 5.358 2.162 ( 2.866 0.000 0.969) 3.026 2.194 ( 0.812 0.000 1.398) 1.617 2.311 ( 1.939 0.000 -0.389) 1.978 2.363 ( 0.618 0.000 1.367) 1.500 2.399 ( -1.231 0.000 1.554) 1.982 2.444 ( -3.361 0.000 -1.201) 3.569 2.521 ( -1.711 0.000 -1.628) 2.362 2.572 ( -0.119 0.000 2.136) 2.139 2.641 ( 0.409 0.000 -1.708) 1.756 2.692 ( -1.100 0.000 -3.467) 3.637 2.749 ( 3.197 0.000 1.353) 3.472 2.827 ( -2.515 0.000 -2.592) 3.612 2.968 ( 1.558 0.000 1.002) 1.853 3.139 ( 4.546 0.000 -2.415) 5.148 3.169 ( 0.186 0.000 1.671) 1.682 3.378 ( 0.196 0.000 1.721) 1.732 3.429 ( -0.776 0.000 0.459) 0.901 3.490 ( -2.646 0.000 -2.992) 3.994 3.571 ( 1.744 0.000 -0.310) 1.771 3.644 ( -0.993 0.000 -0.341) 1.050 3.687 ( -1.834 0.000 -0.554) 1.916 3.775 ( 2.696 0.000 0.532) 2.748 3.899 ( -0.289 0.000 -1.365) 1.396 4.017 ( -1.080 0.000 0.465) 1.176 4.108 ( 0.293 0.000 0.242) 0.380 4.244 ( 0.079 0.000 -1.589) 1.591 4.249 ( 0.357 0.000 0.298) 0.465 4.330 ( -0.697 0.000 2.285) 2.389 4.387 ( 2.765 0.000 -0.744) 2.864 4.774 ( -0.644 0.000 0.898) 1.105 4.942 ( 0.930 0.000 -0.569) 1.090 6.197 ( -0.685 0.000 -0.252) 0.730 6.264 ( 0.040 0.000 0.299) 0.302 8.195 ( -0.246 0.000 -0.179) 0.304 8.283 ( 0.687 0.000 -0.213) 0.720 12.500 ( -0.218 0.000 0.181) 0.284 12.599 ( 0.550 0.000 -0.021) 0.550 12.644 ( 0.625 0.000 1.020) 1.196 12.666 ( -0.600 0.000 0.988) 1.156 12.824 ( -0.937 0.000 -0.280) 0.978 12.956 ( 0.226 0.000 -2.390) 2.401 13.025 ( -0.266 0.000 1.686) 1.706 13.131 ( 0.867 0.000 -0.129) 0.877 13.727 ( 0.482 0.000 0.645) 0.805 13.731 ( 0.699 0.000 -0.895) 1.136 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.805 0.000 -0.507) 2.851 0.711 ( 2.200 0.000 -3.841) 4.427 1.083 ( -4.460 0.000 9.226) 10.248 1.097 ( -5.818 0.000 0.003) 5.818 1.121 ( -2.470 0.000 2.852) 3.772 1.384 ( 9.340 0.000 -4.933) 10.563 1.386 ( 5.227 0.000 -5.946) 7.917 1.451 ( -3.774 0.000 4.099) 5.571 1.471 ( -0.489 0.000 -2.408) 2.457 1.647 ( 3.184 0.000 -1.171) 3.392 1.676 ( -3.998 0.000 6.435) 7.576 1.732 ( -9.496 0.000 4.071) 10.331 1.780 ( 1.251 0.000 -5.470) 5.611 2.003 ( 4.619 0.000 2.007) 5.036 2.142 ( -3.818 0.000 -0.788) 3.898 2.197 ( 1.085 0.000 -0.162) 1.097 2.207 ( -0.614 0.000 -0.356) 0.710 2.321 ( 1.161 0.000 -0.303) 1.200 2.381 ( 0.176 0.000 0.927) 0.944 2.393 ( -0.179 0.000 -4.541) 4.544 2.424 ( -0.169 0.000 4.269) 4.273 2.495 ( -1.859 0.000 2.021) 2.746 2.577 ( 0.473 0.000 -0.169) 0.502 2.640 ( 2.065 0.000 0.043) 2.066 2.683 ( 0.935 0.000 1.108) 1.450 2.744 ( -2.308 0.000 -4.117) 4.720 2.840 ( 2.534 0.000 3.541) 4.354 2.981 ( 0.022 0.000 -0.950) 0.950 3.179 ( -1.180 0.000 1.359) 1.799 3.192 ( 3.538 0.000 -1.013) 3.680 3.397 ( 1.617 0.000 -1.210) 2.020 3.401 ( -0.917 0.000 -2.255) 2.435 3.428 ( -2.906 0.000 0.735) 2.998 3.588 ( 0.712 0.000 -0.890) 1.139 3.641 ( 1.018 0.000 0.370) 1.083 3.668 ( -1.053 0.000 0.721) 1.276 3.781 ( 0.143 0.000 -3.366) 3.369 3.913 ( 1.437 0.000 1.818) 2.317 4.014 ( -0.388 0.000 1.176) 1.238 4.075 ( -0.782 0.000 -3.941) 4.017 4.246 ( 1.110 0.000 0.294) 1.148 4.262 ( -0.341 0.000 1.006) 1.062 4.353 ( -0.702 0.000 3.800) 3.865 4.418 ( 1.526 0.000 -0.122) 1.531 4.779 ( -0.588 0.000 1.582) 1.688 4.942 ( 0.433 0.000 -1.177) 1.255 6.187 ( -0.135 0.000 -0.144) 0.197 6.258 ( -0.383 0.000 -0.864) 0.945 8.195 ( 0.138 0.000 0.369) 0.394 8.285 ( 0.210 0.000 -0.713) 0.743 12.507 ( 0.040 0.000 1.077) 1.077 12.608 ( 0.510 0.000 0.088) 0.518 12.654 ( -0.550 0.000 0.676) 0.872 12.669 ( -0.641 0.000 1.809) 1.919 12.809 ( -0.228 0.000 -0.987) 1.013 12.933 ( 0.685 0.000 -2.986) 3.063 13.038 ( -0.462 0.000 1.703) 1.764 13.136 ( 0.241 0.000 -0.607) 0.654 13.733 ( -0.222 0.000 -0.043) 0.226 13.735 ( 0.754 0.000 -0.612) 0.971 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -3.934 0.000 -2.758) 4.804 0.698 ( 0.491 0.000 -2.748) 2.792 0.991 ( -5.170 0.000 1.462) 5.373 1.028 ( -3.318 0.000 -0.211) 3.325 1.136 ( -12.190 0.000 14.340) 18.821 1.353 ( 3.175 0.000 -5.734) 6.554 1.397 ( 0.376 0.000 -7.223) 7.232 1.507 ( -0.643 0.000 2.286) 2.374 1.549 ( 11.313 0.000 0.256) 11.315 1.584 ( -9.599 0.000 -1.606) 9.733 1.696 ( -1.596 0.000 4.608) 4.877 1.739 ( 3.000 0.000 -4.106) 5.085 1.749 ( 4.665 0.000 1.709) 4.968 2.021 ( -5.603 0.000 -2.935) 6.325 2.091 ( 1.630 0.000 1.932) 2.528 2.191 ( -0.884 0.000 0.563) 1.048 2.200 ( -1.194 0.000 0.928) 1.513 2.328 ( -0.199 0.000 -5.799) 5.802 2.376 ( 4.372 0.000 2.000) 4.808 2.384 ( -0.785 0.000 0.017) 0.785 2.450 ( -3.125 0.000 3.779) 4.904 2.488 ( -1.723 0.000 2.567) 3.091 2.613 ( 3.748 0.000 0.188) 3.753 2.652 ( -3.007 0.000 -3.257) 4.433 2.716 ( 4.842 0.000 2.250) 5.340 2.719 ( 1.796 0.000 0.464) 1.855 2.915 ( 2.185 0.000 2.745) 3.509 2.951 ( -1.609 0.000 -1.719) 2.354 3.162 ( -1.762 0.000 0.124) 1.766 3.221 ( 1.207 0.000 -0.244) 1.232 3.366 ( 0.125 0.000 -2.350) 2.353 3.372 ( -2.056 0.000 -0.097) 2.058 3.453 ( 3.476 0.000 0.304) 3.490 3.564 ( -1.237 0.000 -2.491) 2.781 3.639 ( -0.455 0.000 -0.880) 0.991 3.715 ( 2.874 0.000 4.324) 5.192 3.731 ( -1.104 0.000 -3.419) 3.593 3.931 ( -0.181 0.000 -2.568) 2.574 4.020 ( -0.734 0.000 0.858) 1.129 4.039 ( 0.623 0.000 -0.513) 0.807 4.249 ( -1.623 0.000 -0.220) 1.638 4.280 ( 1.666 0.000 1.002) 1.944 4.384 ( -1.028 0.000 3.493) 3.641 4.435 ( 0.157 0.000 0.897) 0.910 4.791 ( -0.449 0.000 2.079) 2.126 4.931 ( 0.267 0.000 -1.668) 1.690 6.191 ( 0.559 0.000 0.204) 0.595 6.235 ( -0.520 0.000 -1.599) 1.682 8.207 ( 0.353 0.000 0.908) 0.975 8.273 ( -0.276 0.000 -1.299) 1.328 12.523 ( 0.022 0.000 1.711) 1.712 12.613 ( 0.085 0.000 -0.702) 0.707 12.648 ( -1.263 0.000 1.588) 2.030 12.685 ( -0.611 0.000 2.173) 2.257 12.797 ( 0.741 0.000 -1.208) 1.418 12.910 ( 1.187 0.000 -3.689) 3.875 13.048 ( -0.754 0.000 1.796) 1.947 13.126 ( -0.316 0.000 -0.971) 1.021 13.720 ( -0.949 0.000 -0.498) 1.072 13.741 ( 0.637 0.000 -0.294) 0.702 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -4.729 0.000 -2.731) 5.461 0.617 ( -8.548 0.000 -0.206) 8.550 0.978 ( -10.089 0.000 5.252) 11.374 1.016 ( 3.461 0.000 3.929) 5.236 1.029 ( -11.720 0.000 2.675) 12.021 1.338 ( 2.301 0.000 -6.743) 7.125 1.344 ( -6.539 0.000 1.421) 6.692 1.389 ( -2.653 0.000 -4.402) 5.140 1.492 ( -1.630 0.000 2.131) 2.683 1.653 ( 0.765 0.000 -2.420) 2.538 1.675 ( -5.972 0.000 1.637) 6.192 1.764 ( 5.642 0.000 0.073) 5.643 1.905 ( 10.196 0.000 1.200) 10.266 1.995 ( 2.810 0.000 0.359) 2.833 2.094 ( -0.545 0.000 -0.162) 0.568 2.184 ( -1.835 0.000 -0.168) 1.843 2.198 ( -0.239 0.000 2.329) 2.342 2.267 ( -0.772 0.000 -3.179) 3.271 2.348 ( -2.499 0.000 -1.078) 2.722 2.411 ( -2.523 0.000 -0.792) 2.644 2.432 ( -1.563 0.000 4.302) 4.577 2.539 ( 3.605 0.000 0.836) 3.701 2.601 ( -1.568 0.000 1.667) 2.288 2.687 ( 5.231 0.000 -0.544) 5.259 2.738 ( 1.945 0.000 -2.431) 3.113 2.824 ( 4.086 0.000 2.612) 4.849 2.902 ( -2.214 0.000 -0.982) 2.422 2.968 ( 1.314 0.000 1.572) 2.048 3.125 ( -1.638 0.000 -2.163) 2.713 3.239 ( 0.146 0.000 1.507) 1.514 3.352 ( 0.590 0.000 -1.412) 1.530 3.358 ( 0.275 0.000 0.911) 0.952 3.507 ( -1.681 0.000 -2.346) 2.886 3.511 ( 3.524 0.000 -1.217) 3.728 3.629 ( -0.517 0.000 0.794) 0.947 3.673 ( -1.778 0.000 -2.529) 3.091 3.833 ( 4.470 0.000 5.108) 6.788 3.874 ( -0.222 0.000 -5.435) 5.440 4.001 ( -1.334 0.000 -0.982) 1.657 4.053 ( -0.688 0.000 1.244) 1.422 4.214 ( -1.888 0.000 -0.304) 1.912 4.311 ( 0.917 0.000 0.400) 1.001 4.387 ( -2.225 0.000 1.532) 2.701 4.445 ( -0.647 0.000 1.420) 1.561 4.812 ( -0.152 0.000 2.421) 2.425 4.917 ( 0.501 0.000 -1.828) 1.895 6.209 ( 1.002 0.000 0.674) 1.207 6.210 ( -0.275 0.000 -1.485) 1.511 8.224 ( 0.249 0.000 1.100) 1.127 8.248 ( -0.538 0.000 -1.799) 1.878 12.545 ( 0.076 0.000 1.863) 1.865 12.590 ( -0.920 0.000 -1.574) 1.823 12.659 ( -1.050 0.000 3.464) 3.619 12.684 ( -1.648 0.000 0.833) 1.847 12.817 ( 2.312 0.000 0.196) 2.320 12.888 ( 1.690 0.000 -4.340) 4.658 13.054 ( -1.103 0.000 1.792) 2.104 13.105 ( -0.793 0.000 -1.097) 1.354 13.696 ( -1.183 0.000 -0.451) 1.266 13.748 ( 0.464 0.000 -0.080) 0.471 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -5.989 0.000 5.581) 8.186 0.459 ( -13.356 0.000 6.042) 14.659 0.658 ( -18.863 0.000 -8.829) 20.827 0.938 ( -12.480 0.000 11.692) 17.101 1.119 ( 3.738 0.000 1.981) 4.231 1.230 ( -13.368 0.000 16.191) 20.996 1.313 ( 3.131 0.000 -6.111) 6.867 1.439 ( 5.922 0.000 0.125) 5.923 1.513 ( -2.347 0.000 -1.587) 2.833 1.576 ( -3.189 0.000 1.988) 3.758 1.602 ( -0.614 0.000 -4.489) 4.531 1.843 ( 2.016 0.000 1.198) 2.345 2.010 ( -0.761 0.000 -0.170) 0.780 2.056 ( 4.333 0.000 1.172) 4.489 2.104 ( 1.862 0.000 -3.900) 4.321 2.167 ( 2.216 0.000 2.685) 3.482 2.224 ( -0.278 0.000 -1.406) 1.433 2.236 ( 0.561 0.000 2.997) 3.049 2.335 ( 0.206 0.000 0.699) 0.729 2.378 ( 1.447 0.000 -1.569) 2.135 2.470 ( 0.094 0.000 3.570) 3.571 2.563 ( 1.563 0.000 -2.936) 3.326 2.630 ( 0.774 0.000 4.141) 4.212 2.715 ( 0.769 0.000 -3.128) 3.221 2.772 ( 3.783 0.000 -1.793) 4.186 2.860 ( -1.810 0.000 0.160) 1.817 2.888 ( 1.414 0.000 0.029) 1.415 2.985 ( 0.364 0.000 -2.400) 2.427 3.053 ( -2.546 0.000 -3.397) 4.245 3.248 ( -1.278 0.000 1.380) 1.881 3.349 ( 0.425 0.000 -0.193) 0.467 3.407 ( 3.698 0.000 1.066) 3.848 3.473 ( -1.001 0.000 -0.488) 1.114 3.527 ( 0.671 0.000 -1.847) 1.965 3.625 ( -1.250 0.000 -1.008) 1.606 3.639 ( -0.535 0.000 2.078) 2.145 3.809 ( -0.253 0.000 -5.463) 5.469 3.952 ( 1.153 0.000 3.105) 3.312 3.985 ( 3.671 0.000 -0.300) 3.684 4.043 ( -1.501 0.000 1.502) 2.123 4.190 ( -1.146 0.000 0.449) 1.231 4.307 ( -1.549 0.000 -0.812) 1.749 4.353 ( -2.656 0.000 0.045) 2.657 4.446 ( -0.418 0.000 0.573) 0.709 4.837 ( -0.198 0.000 2.160) 2.169 4.904 ( 0.690 0.000 -2.736) 2.822 6.196 ( 0.085 0.000 -0.686) 0.691 6.234 ( 0.873 0.000 0.845) 1.215 8.217 ( -0.575 0.000 -1.882) 1.968 8.237 ( -0.065 0.000 0.854) 0.856 12.556 ( -0.983 0.000 -1.369) 1.686 12.566 ( 0.234 0.000 1.427) 1.446 12.658 ( -1.945 0.000 0.105) 1.947 12.699 ( -0.264 0.000 6.309) 6.314 12.864 ( 1.719 0.000 -5.236) 5.511 12.864 ( 2.445 0.000 0.790) 2.569 13.052 ( -1.437 0.000 1.603) 2.152 13.078 ( -1.034 0.000 -0.902) 1.372 13.675 ( -0.909 0.000 -0.046) 0.910 13.753 ( 0.290 0.000 -0.131) 0.319 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -11.092 0.000 5.026) 12.178 0.369 ( -12.034 0.000 16.464) 20.393 0.463 ( -12.303 0.000 20.463) 23.877 0.932 ( -8.232 0.000 15.286) 17.362 1.173 ( 0.951 0.000 0.312) 1.001 1.293 ( 3.404 0.000 -5.730) 6.665 1.356 ( -3.512 0.000 -4.290) 5.544 1.412 ( 3.600 0.000 21.903) 22.197 1.559 ( 1.596 0.000 -4.024) 4.328 1.575 ( 7.423 0.000 3.493) 8.203 1.668 ( 8.025 0.000 13.171) 15.424 1.855 ( -0.644 0.000 -0.964) 1.160 2.016 ( 0.285 0.000 0.930) 0.972 2.035 ( -1.047 0.000 -4.104) 4.235 2.087 ( -1.618 0.000 0.489) 1.690 2.211 ( 4.013 0.000 -2.557) 4.758 2.267 ( -0.929 0.000 1.976) 2.184 2.312 ( -1.949 0.000 2.311) 3.023 2.326 ( 6.050 0.000 1.482) 6.229 2.426 ( 1.760 0.000 0.718) 1.901 2.484 ( -0.622 0.000 0.032) 0.623 2.560 ( 1.970 0.000 -2.127) 2.899 2.671 ( -1.163 0.000 -2.345) 2.618 2.712 ( 2.774 0.000 3.294) 4.306 2.769 ( 0.884 0.000 -3.754) 3.856 2.794 ( -4.316 0.000 -9.333) 10.282 2.860 ( 0.035 0.000 0.718) 0.719 2.972 ( 1.281 0.000 0.728) 1.473 3.000 ( -1.539 0.000 -1.188) 1.944 3.231 ( -1.233 0.000 -0.641) 1.390 3.369 ( 0.702 0.000 1.147) 1.345 3.430 ( -2.320 0.000 -1.490) 2.758 3.473 ( 2.295 0.000 0.482) 2.346 3.512 ( 0.264 0.000 -0.585) 0.642 3.618 ( -0.354 0.000 1.554) 1.594 3.653 ( -0.866 0.000 2.355) 2.509 3.740 ( -1.367 0.000 -4.129) 4.349 3.956 ( 0.569 0.000 -1.190) 1.319 4.065 ( 1.118 0.000 0.848) 1.404 4.090 ( 4.623 0.000 2.241) 5.138 4.182 ( -0.674 0.000 0.463) 0.818 4.243 ( -3.808 0.000 -1.657) 4.153 4.310 ( -1.692 0.000 -0.936) 1.934 4.441 ( -0.150 0.000 -1.139) 1.149 4.849 ( -0.769 0.000 1.288) 1.500 4.850 ( -2.292 0.000 -4.683) 5.214 6.197 ( 0.280 0.000 0.261) 0.383 6.252 ( 0.198 0.000 0.509) 0.546 8.199 ( 0.396 0.000 0.571) 0.695 8.240 ( -0.372 0.000 0.356) 0.516 12.534 ( -0.193 0.000 -0.651) 0.679 12.585 ( 0.473 0.000 0.798) 0.928 12.625 ( -1.941 0.000 -0.285) 1.961 12.758 ( -2.663 0.000 -4.866) 5.547 12.861 ( 5.481 0.000 4.637) 7.179 12.906 ( 1.462 0.000 0.588) 1.575 13.045 ( -1.462 0.000 1.541) 2.124 13.055 ( -0.653 0.000 -0.414) 0.773 13.666 ( -0.457 0.000 0.438) 0.633 13.754 ( 0.147 0.000 -0.451) 0.474 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 2.953 4.358 14.380) 15.314 0.524 ( -6.247 9.071 13.225) 17.210 0.679 ( -3.624 8.915 11.452) 14.959 1.055 ( -4.695 6.603 12.096) 14.558 1.122 ( -3.418 -0.693 -0.255) 3.497 1.303 ( 5.135 -2.314 1.043) 5.728 1.373 ( 1.911 2.030 -0.619) 2.856 1.472 ( -0.941 -6.192 3.198) 7.032 1.499 ( -4.017 2.352 1.848) 5.008 1.646 ( 0.010 2.041 0.509) 2.104 1.679 ( -5.537 -5.485 5.801) 9.716 1.875 ( 0.853 -2.170 2.598) 3.491 1.909 ( 3.681 -0.707 0.905) 3.856 1.978 ( -1.137 -0.978 -1.087) 1.852 2.004 ( 0.159 1.481 -3.162) 3.495 2.216 ( 1.150 -0.814 -2.639) 2.992 2.229 ( 1.243 -1.867 -3.535) 4.187 2.267 ( -1.600 -4.830 1.220) 5.232 2.354 ( -4.371 3.460 -1.381) 5.743 2.440 ( -2.615 -0.485 -0.981) 2.834 2.483 ( 3.118 0.618 0.319) 3.195 2.579 ( 1.532 -2.251 -0.109) 2.725 2.597 ( -0.637 -1.216 2.728) 3.054 2.670 ( 0.298 -2.376 -2.444) 3.421 2.728 ( 2.141 -0.253 0.854) 2.319 2.803 ( -1.193 -3.605 -0.051) 3.798 2.953 ( -2.143 2.522 -2.622) 4.223 3.026 ( 2.173 0.051 1.710) 2.766 3.089 ( 3.206 5.792 -10.841) 12.703 3.172 ( 0.060 -2.238 -2.305) 3.213 3.371 ( 0.058 0.226 -0.317) 0.394 3.464 ( 1.440 0.774 2.434) 2.932 3.482 ( -1.467 1.309 -2.072) 2.857 3.516 ( 1.411 -2.119 0.542) 2.603 3.611 ( 1.549 0.049 -0.118) 1.554 3.689 ( -0.726 0.810 2.098) 2.363 3.746 ( 3.285 -0.235 3.109) 4.529 3.904 ( -2.931 -4.524 2.163) 5.808 3.980 ( 0.022 0.695 0.114) 0.704 4.078 ( -3.028 -2.234 -2.026) 4.273 4.217 ( 1.980 -0.349 1.426) 2.465 4.231 ( -0.144 3.014 0.595) 3.075 4.299 ( 0.536 0.150 0.097) 0.565 4.418 ( -1.113 -0.003 -2.080) 2.359 4.824 ( 0.513 -0.660 0.386) 0.921 4.883 ( 0.153 1.235 -3.034) 3.279 6.211 ( 0.346 0.250 0.681) 0.804 6.243 ( -0.480 -0.817 0.044) 0.948 8.203 ( 0.493 -1.295 0.528) 1.483 8.250 ( 0.287 -0.618 -1.145) 1.333 12.546 ( 0.812 0.596 0.455) 1.105 12.590 ( -1.112 -0.558 1.313) 1.809 12.614 ( -1.269 2.219 -1.394) 2.912 12.683 ( -1.548 3.985 -2.725) 5.070 12.913 ( -0.176 0.450 1.042) 1.149 12.970 ( 1.379 0.929 -0.736) 1.819 13.042 ( -0.887 1.142 0.393) 1.498 13.078 ( 0.543 1.857 -0.023) 1.935 13.681 ( -0.003 1.208 0.824) 1.462 13.751 ( 0.119 0.309 -0.687) 0.763 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -4.065 4.496 15.176) 16.342 0.681 ( 1.282 4.400 15.207) 15.883 0.744 ( -2.849 2.462 7.076) 8.016 1.007 ( -3.130 -1.232 -7.242) 7.984 1.134 ( 0.106 1.935 6.919) 7.186 1.324 ( 0.570 -3.244 -4.361) 5.466 1.390 ( 3.619 -0.198 -3.921) 5.340 1.500 ( -7.934 1.998 17.779) 19.571 1.534 ( 1.166 -1.601 3.999) 4.463 1.626 ( -0.956 1.776 -1.001) 2.251 1.707 ( 1.385 2.544 1.504) 3.263 1.829 ( -0.857 5.398 1.371) 5.635 1.961 ( 2.937 -1.109 -4.511) 5.496 1.972 ( 2.240 1.409 -3.675) 4.529 2.033 ( 0.802 -2.402 3.357) 4.205 2.146 ( 0.140 -0.281 -7.451) 7.457 2.215 ( -1.921 -0.496 -1.774) 2.662 2.250 ( 0.834 1.303 0.841) 1.761 2.311 ( -3.097 -3.173 4.219) 6.120 2.372 ( -3.352 -1.175 0.107) 3.554 2.535 ( 0.795 2.179 -0.700) 2.423 2.564 ( -0.725 -2.480 -2.501) 3.596 2.583 ( -1.957 -1.901 1.597) 3.162 2.640 ( -1.775 -1.971 -1.550) 3.072 2.767 ( -0.599 -4.354 -0.943) 4.495 2.821 ( 3.622 0.812 2.137) 4.283 2.882 ( -0.991 3.495 -4.123) 5.495 3.005 ( -1.336 2.736 -3.860) 4.917 3.078 ( 2.529 0.105 -0.643) 2.612 3.165 ( 1.807 0.041 -3.824) 4.230 3.374 ( -0.124 -0.202 0.424) 0.486 3.419 ( -1.098 1.582 -1.382) 2.370 3.513 ( 0.556 -0.537 2.133) 2.269 3.566 ( 1.785 -3.506 1.291) 4.140 3.646 ( 1.739 -0.178 2.290) 2.881 3.663 ( -2.651 0.875 -0.305) 2.809 3.854 ( 2.305 -2.057 0.723) 3.173 3.882 ( -0.255 0.865 -2.323) 2.492 3.980 ( -0.196 -1.718 3.080) 3.532 4.020 ( -1.282 -1.856 -0.419) 2.294 4.233 ( -0.219 1.739 1.079) 2.058 4.272 ( 2.062 -0.338 -0.149) 2.095 4.316 ( 1.315 0.283 0.108) 1.349 4.374 ( -0.641 0.877 -2.501) 2.726 4.811 ( -1.655 -0.105 -0.478) 1.726 4.884 ( 2.142 -1.078 -0.818) 2.534 6.228 ( 0.145 -0.248 0.707) 0.763 6.230 ( -0.547 -0.313 0.072) 0.635 8.209 ( -0.231 -1.071 -0.112) 1.102 8.244 ( 0.522 -1.026 -0.450) 1.235 12.565 ( -1.648 1.728 -0.878) 2.544 12.574 ( 1.304 0.433 1.065) 1.739 12.599 ( 0.221 1.114 0.334) 1.184 12.667 ( 1.106 2.949 -0.515) 3.191 12.892 ( -2.691 0.448 0.168) 2.733 12.981 ( 0.972 0.463 -0.422) 1.156 13.033 ( -0.724 1.818 0.259) 1.974 13.098 ( 1.585 1.690 0.281) 2.334 13.695 ( 0.319 1.089 1.052) 1.547 13.744 ( 0.162 0.476 -0.891) 1.023 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -2.486 0.644 5.779) 6.324 0.742 ( -2.507 4.779 11.111) 12.353 0.834 ( -2.300 3.112 1.599) 4.187 0.869 ( 1.117 -0.389 3.218) 3.429 1.232 ( 0.505 -0.853 5.317) 5.408 1.280 ( 2.932 -2.993 -6.237) 7.514 1.392 ( 1.608 -1.184 -3.796) 4.289 1.569 ( -4.626 0.283 6.041) 7.613 1.585 ( -0.388 -2.164 -3.882) 4.461 1.605 ( -2.445 1.084 12.188) 12.478 1.743 ( 2.512 1.613 -0.956) 3.135 1.832 ( -3.211 3.788 1.379) 5.154 1.919 ( -0.561 2.083 -2.913) 3.625 1.993 ( 1.435 1.207 -7.070) 7.315 2.009 ( 0.627 -1.565 0.528) 1.767 2.146 ( 4.210 0.537 0.969) 4.354 2.182 ( -3.063 0.646 1.520) 3.480 2.284 ( 1.592 1.257 1.800) 2.712 2.309 ( -0.204 -0.894 1.711) 1.941 2.365 ( -0.899 -3.604 2.477) 4.465 2.474 ( -2.175 -3.592 -2.248) 4.763 2.561 ( -3.611 -2.584 -1.844) 4.808 2.582 ( -0.165 2.219 3.092) 3.809 2.606 ( 2.811 0.668 -0.248) 2.900 2.734 ( -0.889 -3.029 -3.248) 4.530 2.791 ( -1.345 3.136 -4.381) 5.553 2.909 ( 0.813 1.536 -0.752) 1.894 2.960 ( 0.902 3.923 -0.348) 4.041 3.114 ( 2.352 -0.460 -1.212) 2.686 3.135 ( 0.948 -0.683 -2.278) 2.560 3.381 ( 0.225 1.800 1.366) 2.271 3.421 ( -0.028 0.355 1.403) 1.447 3.537 ( 0.876 -1.295 0.159) 1.572 3.583 ( 0.319 0.152 -2.256) 2.283 3.610 ( -2.000 -2.220 -0.190) 2.994 3.721 ( 2.416 0.183 3.851) 4.550 3.778 ( -3.605 1.718 -3.256) 5.153 3.886 ( 0.021 -2.318 -1.886) 2.988 4.018 ( -0.005 -1.102 0.688) 1.299 4.040 ( 1.601 -2.269 3.119) 4.176 4.240 ( -0.170 0.399 0.806) 0.916 4.274 ( 0.272 0.109 -2.036) 2.057 4.341 ( -0.122 1.272 0.721) 1.468 4.355 ( 2.029 0.042 -1.705) 2.650 4.783 ( -1.069 -0.019 -0.091) 1.073 4.913 ( 1.672 -1.230 0.032) 2.076 6.210 ( -0.944 -0.333 -0.288) 1.042 6.247 ( 0.362 -0.414 0.910) 1.063 8.197 ( -0.509 -0.812 -0.446) 1.057 8.254 ( 0.808 -1.527 -0.051) 1.728 12.535 ( -0.799 2.188 -0.703) 2.433 12.601 ( 0.709 0.724 0.539) 1.148 12.619 ( 1.188 0.869 1.000) 1.780 12.689 ( 1.330 2.669 0.431) 3.014 12.844 ( -2.870 -0.260 -0.221) 2.890 12.988 ( 0.610 0.399 -0.846) 1.117 13.026 ( -0.592 2.448 0.617) 2.593 13.129 ( 1.763 1.765 0.202) 2.503 13.714 ( 0.544 0.771 0.945) 1.335 13.738 ( 0.333 0.514 -0.912) 1.098 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.846 1.959 -1.770) 3.222 0.739 ( -0.930 1.359 -1.435) 2.184 0.938 ( 1.163 0.973 14.343) 14.423 1.041 ( 3.406 -0.322 10.209) 10.767 1.209 ( -2.052 1.720 -2.544) 3.693 1.316 ( 4.057 -1.387 -1.507) 4.545 1.365 ( 2.319 -1.130 -5.833) 6.378 1.483 ( -5.014 -4.275 -2.601) 7.084 1.540 ( -2.724 -0.831 -1.342) 3.149 1.669 ( -4.835 0.851 5.140) 7.108 1.702 ( -3.341 2.843 -0.312) 4.398 1.777 ( -3.889 0.042 1.644) 4.222 1.909 ( -0.138 5.577 -2.589) 6.151 1.933 ( 2.831 -1.167 -2.922) 4.232 2.085 ( 3.735 -2.348 1.988) 4.838 2.170 ( -1.012 -0.409 3.560) 3.724 2.229 ( 2.929 0.429 0.635) 3.027 2.311 ( -0.017 -0.996 -1.357) 1.683 2.330 ( 0.408 0.651 0.319) 0.832 2.363 ( -1.157 -3.078 0.788) 3.382 2.420 ( -2.992 -1.979 -0.374) 3.607 2.493 ( -0.863 -2.142 -0.159) 2.315 2.629 ( 0.862 3.974 0.648) 4.118 2.640 ( -0.032 -4.218 -1.837) 4.601 2.699 ( 1.896 2.754 1.251) 3.570 2.749 ( 1.255 1.249 -1.967) 2.647 2.861 ( -2.893 3.577 -1.294) 4.779 3.000 ( 1.670 3.300 0.582) 3.744 3.132 ( 3.963 -0.473 -2.055) 4.489 3.165 ( 1.046 0.006 1.287) 1.659 3.407 ( 0.051 1.697 2.441) 2.973 3.424 ( -0.882 -0.185 0.057) 0.903 3.499 ( -1.935 0.587 -3.908) 4.400 3.580 ( 1.883 0.772 -0.318) 2.060 3.607 ( 0.361 -3.445 0.076) 3.464 3.699 ( -2.518 2.148 -1.212) 3.524 3.795 ( 2.171 1.253 0.767) 2.622 3.861 ( -0.415 -3.506 -0.491) 3.565 4.014 ( -0.556 -0.410 -0.303) 0.754 4.078 ( 0.004 -2.658 0.675) 2.742 4.248 ( 0.209 -0.299 0.285) 0.463 4.256 ( 0.310 1.068 -0.805) 1.373 4.337 ( -1.254 0.503 1.780) 2.235 4.383 ( 2.387 -0.482 -0.834) 2.574 4.775 ( -0.473 0.148 0.778) 0.923 4.934 ( 0.930 -0.879 -0.302) 1.315 6.194 ( -0.694 -0.254 -0.184) 0.762 6.257 ( 0.034 -0.694 0.192) 0.721 8.187 ( -0.251 -0.781 -0.171) 0.838 8.265 ( 0.599 -1.779 -0.206) 1.888 12.524 ( -0.124 2.346 0.102) 2.351 12.617 ( 0.776 1.408 0.143) 1.614 12.646 ( 0.437 0.610 1.056) 1.296 12.711 ( 0.020 3.840 1.088) 3.991 12.802 ( -1.474 -1.709 -0.469) 2.305 12.981 ( 0.442 1.341 -1.784) 2.275 13.029 ( -0.427 1.788 1.194) 2.192 13.154 ( 1.193 2.073 -0.304) 2.411 13.730 ( 0.507 0.369 0.218) 0.664 13.736 ( 0.442 0.456 -0.519) 0.820 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -1.969 1.751 -1.579) 3.072 0.732 ( 1.623 1.671 -1.091) 2.572 1.048 ( -6.086 -1.286 7.340) 9.622 1.116 ( -3.815 -0.776 2.615) 4.690 1.155 ( -2.103 3.742 1.668) 4.605 1.360 ( 4.611 -1.529 -6.101) 7.799 1.376 ( 2.319 -3.577 0.343) 4.277 1.412 ( 4.226 -2.189 -3.165) 5.716 1.484 ( -3.725 0.287 1.656) 4.087 1.647 ( 0.275 0.330 3.388) 3.415 1.676 ( -0.940 2.568 0.281) 2.749 1.740 ( -6.495 1.077 5.455) 8.550 1.853 ( 0.075 4.742 -5.595) 7.334 1.989 ( 3.138 -1.445 1.202) 3.658 2.125 ( -0.467 -1.959 -0.277) 2.033 2.194 ( -1.333 0.742 1.712) 2.293 2.225 ( -1.109 0.054 -2.658) 2.881 2.280 ( 1.436 -5.183 -2.740) 6.036 2.322 ( 0.544 -1.429 -0.995) 1.824 2.371 ( 0.806 -0.299 -0.042) 0.861 2.403 ( -1.493 -2.403 2.096) 3.521 2.494 ( 0.017 -0.312 0.409) 0.515 2.616 ( 1.167 -2.915 -0.778) 3.235 2.646 ( 0.154 4.810 1.863) 5.160 2.726 ( -1.559 -1.881 -4.418) 5.049 2.778 ( 2.976 6.500 2.464) 7.562 2.840 ( -0.338 2.393 3.954) 4.634 3.021 ( 0.534 4.003 -0.039) 4.039 3.181 ( -0.230 0.296 1.000) 1.068 3.184 ( 3.163 -0.281 -0.606) 3.233 3.387 ( -1.567 -0.809 -2.154) 2.784 3.430 ( -1.950 -0.032 -1.092) 2.235 3.444 ( 1.499 3.271 -0.013) 3.598 3.599 ( 0.875 -0.360 -0.929) 1.326 3.616 ( 0.558 -1.627 -0.085) 1.722 3.674 ( -0.285 1.651 1.092) 2.000 3.775 ( -0.581 -1.395 -4.498) 4.745 3.891 ( 1.053 -1.573 2.584) 3.203 4.004 ( -0.312 -1.365 -0.375) 1.450 4.059 ( -0.569 -1.083 -1.831) 2.202 4.255 ( 0.126 -0.054 0.694) 0.708 4.268 ( 0.577 1.079 0.825) 1.476 4.346 ( -0.963 -0.629 3.115) 3.321 4.410 ( 1.424 -0.879 -0.033) 1.674 4.780 ( -0.472 0.173 1.336) 1.427 4.935 ( 0.258 -0.851 -1.158) 1.460 6.185 ( -0.158 -0.168 -0.022) 0.231 6.252 ( -0.289 -0.619 -0.743) 1.010 8.187 ( 0.122 -0.774 0.382) 0.872 8.267 ( 0.214 -1.760 -0.558) 1.858 12.531 ( 0.083 2.333 0.945) 2.519 12.628 ( 0.516 1.574 -0.164) 1.664 12.656 ( -0.564 0.667 0.965) 1.301 12.718 ( -0.777 4.503 1.835) 4.924 12.784 ( -0.068 -2.207 -0.890) 2.381 12.966 ( 0.654 2.370 -2.447) 3.469 13.037 ( -0.375 1.036 1.479) 1.844 13.159 ( 0.363 2.111 -0.987) 2.359 13.736 ( 0.560 0.175 -0.584) 0.827 13.736 ( -0.091 0.345 -0.113) 0.374 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -4.692 2.637 -2.411) 5.898 0.775 ( 3.724 4.851 0.023) 6.116 0.941 ( -7.635 -0.434 1.091) 7.724 1.088 ( -6.209 -1.323 6.204) 8.877 1.132 ( -6.331 3.265 5.971) 9.294 1.334 ( 2.612 -3.174 -4.200) 5.876 1.370 ( -1.682 -1.151 -5.294) 5.673 1.489 ( 2.234 -1.519 1.604) 3.142 1.526 ( 5.179 -2.737 1.385) 6.019 1.626 ( -7.774 4.016 -0.484) 8.764 1.674 ( 1.681 0.299 1.243) 2.112 1.770 ( 4.166 1.374 2.585) 5.092 1.810 ( 2.476 5.165 -3.723) 6.831 2.001 ( -1.477 -0.955 -2.084) 2.727 2.095 ( -2.489 -0.605 0.860) 2.702 2.159 ( -2.414 -2.029 1.490) 3.488 2.207 ( 0.467 -0.490 -2.066) 2.174 2.293 ( 2.293 -2.461 -1.166) 3.560 2.325 ( -2.842 -1.761 -2.300) 4.058 2.360 ( 2.881 -2.209 1.468) 3.916 2.432 ( 1.964 -3.154 1.550) 4.025 2.500 ( -0.869 0.502 0.597) 1.168 2.606 ( -2.903 -3.787 -3.014) 5.644 2.675 ( 2.247 -0.350 0.254) 2.288 2.676 ( 0.825 4.430 1.315) 4.694 2.834 ( 1.160 8.111 1.800) 8.389 2.910 ( 2.073 -0.587 4.350) 4.855 3.014 ( -1.399 5.506 0.018) 5.681 3.173 ( -1.051 1.114 0.571) 1.635 3.225 ( 1.533 -0.143 0.614) 1.658 3.344 ( -0.772 -0.548 -1.597) 1.856 3.380 ( -0.735 -0.011 -2.552) 2.656 3.484 ( 2.815 2.561 -0.182) 3.810 3.580 ( -1.626 0.943 -1.397) 2.343 3.618 ( 0.225 -1.483 -0.449) 1.566 3.705 ( -1.105 -2.709 -4.601) 5.453 3.722 ( 2.694 0.580 3.521) 4.471 3.912 ( 0.096 -1.560 -1.755) 2.350 3.986 ( -0.939 -2.385 -0.043) 2.564 4.047 ( 0.244 0.108 -0.221) 0.347 4.252 ( -1.193 0.247 0.546) 1.335 4.297 ( 1.254 1.226 1.048) 2.043 4.372 ( -0.789 -1.257 3.138) 3.471 4.425 ( 0.120 -1.088 0.605) 1.251 4.791 ( -0.403 -0.004 1.837) 1.880 4.919 ( 0.043 -1.235 -1.755) 2.147 6.190 ( 0.501 -0.090 0.323) 0.604 6.234 ( -0.386 -0.206 -1.359) 1.427 8.199 ( 0.332 -0.807 0.889) 1.246 8.259 ( -0.183 -1.439 -1.046) 1.788 12.546 ( 0.022 2.151 1.544) 2.648 12.624 ( -0.390 0.828 -0.970) 1.334 12.655 ( -1.096 0.865 1.621) 2.139 12.729 ( -0.935 4.026 1.754) 4.490 12.781 ( 1.119 -1.173 -0.461) 1.685 12.948 ( 0.983 3.216 -3.037) 4.531 13.049 ( -0.443 0.700 1.695) 1.887 13.145 ( -0.362 1.742 -1.487) 2.319 13.724 ( -0.807 0.427 -0.529) 1.055 13.742 ( 0.609 0.095 -0.305) 0.688 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -4.995 2.611 -2.571) 6.195 0.729 ( -9.143 8.816 0.544) 12.712 0.936 ( -3.210 -3.968 5.066) 7.191 1.053 ( -4.771 1.823 4.835) 7.033 1.091 ( -6.020 6.422 4.421) 9.851 1.260 ( -2.632 -2.721 -4.871) 6.169 1.344 ( 0.966 -3.331 -2.445) 4.243 1.460 ( -3.969 2.531 0.249) 4.714 1.481 ( -3.723 2.974 -0.706) 4.818 1.611 ( 1.124 -2.329 0.504) 2.634 1.743 ( -2.607 5.148 -2.420) 6.257 1.770 ( 5.462 0.707 0.152) 5.510 1.921 ( 9.089 0.671 0.510) 9.128 2.006 ( 3.779 1.740 -0.265) 4.169 2.052 ( -2.950 -3.797 -0.200) 4.813 2.168 ( -0.473 -2.005 2.588) 3.308 2.181 ( -0.406 -0.183 -1.731) 1.787 2.237 ( -3.405 -4.083 -2.562) 5.902 2.320 ( 0.688 -0.864 1.567) 1.917 2.371 ( -3.236 -1.108 0.237) 3.429 2.454 ( 0.107 -1.081 -3.223) 3.401 2.510 ( 3.059 -3.025 1.536) 4.568 2.592 ( 2.097 -3.104 2.306) 4.399 2.693 ( -0.580 3.720 0.559) 3.806 2.716 ( 2.332 -1.646 -0.859) 2.981 2.862 ( 0.344 3.420 0.127) 3.440 2.954 ( -1.410 3.941 0.546) 4.221 2.999 ( -0.313 1.809 2.036) 2.742 3.179 ( 0.612 4.723 0.528) 4.792 3.245 ( -0.360 -0.314 1.299) 1.384 3.334 ( 1.410 -0.593 -0.211) 1.544 3.362 ( 1.313 0.531 -1.548) 2.098 3.501 ( -0.700 0.369 -2.063) 2.210 3.543 ( 0.790 1.479 -1.159) 2.038 3.611 ( -0.792 -1.706 -0.788) 2.040 3.650 ( -0.463 -1.695 -1.314) 2.194 3.827 ( 4.263 -0.865 4.106) 5.981 3.859 ( -0.515 -1.553 -5.783) 6.010 3.980 ( -1.206 -0.832 1.353) 1.994 4.042 ( -0.762 -1.046 -0.253) 1.318 4.238 ( -1.244 1.800 0.490) 2.242 4.315 ( -0.009 0.155 0.018) 0.156 4.378 ( -1.740 -0.940 1.381) 2.413 4.433 ( -0.319 -1.234 1.308) 1.826 4.808 ( -0.208 -0.354 1.922) 1.965 4.905 ( 0.620 -1.216 -1.267) 1.863 6.208 ( 0.884 -0.175 0.689) 1.135 6.213 ( -0.199 0.223 -1.310) 1.344 8.215 ( 0.159 -0.923 0.937) 1.325 8.239 ( -0.282 -0.916 -1.421) 1.714 12.565 ( -0.062 1.717 1.684) 2.406 12.597 ( -1.150 0.523 -1.291) 1.806 12.661 ( -1.069 0.417 2.470) 2.723 12.719 ( -1.294 2.762 0.457) 3.084 12.815 ( 2.023 0.641 1.012) 2.351 12.930 ( 1.377 3.719 -3.446) 5.253 13.059 ( -0.736 0.815 1.732) 2.051 13.117 ( -0.776 1.269 -1.518) 2.125 13.702 ( -0.999 0.685 -0.479) 1.303 13.748 ( 0.486 0.044 -0.121) 0.503 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -2.669 3.028 2.829) 4.929 0.567 ( -12.545 8.590 4.465) 15.846 0.773 ( -12.911 9.420 -1.740) 16.077 1.035 ( -9.028 8.436 6.741) 14.075 1.068 ( -2.368 -3.417 4.979) 6.486 1.200 ( -5.803 -0.345 6.675) 8.852 1.346 ( 2.666 -0.595 -0.347) 2.753 1.438 ( -0.362 1.460 0.528) 1.594 1.495 ( 2.447 -0.648 0.984) 2.716 1.590 ( -3.998 2.464 -1.875) 5.057 1.630 ( -1.268 2.584 -4.728) 5.535 1.862 ( 2.539 0.736 -0.298) 2.660 1.961 ( -4.138 -4.619 -0.711) 6.242 2.035 ( 0.720 -0.518 1.279) 1.557 2.085 ( 4.184 -0.168 -5.204) 6.679 2.121 ( 2.974 -4.399 -0.098) 5.311 2.215 ( 2.128 0.848 0.774) 2.418 2.228 ( 0.454 -1.292 2.771) 3.091 2.341 ( -0.341 -1.562 1.131) 1.958 2.354 ( 1.435 -0.255 1.452) 2.057 2.459 ( 1.656 -1.178 1.089) 2.306 2.548 ( 1.476 -2.080 -1.563) 2.991 2.655 ( 0.214 -0.047 1.611) 1.626 2.676 ( 0.148 -2.231 -0.410) 2.273 2.739 ( 2.353 -1.764 -0.810) 3.050 2.820 ( -3.296 -0.099 -2.236) 3.984 2.948 ( 0.279 3.782 0.649) 3.847 3.018 ( 0.153 0.389 0.764) 0.871 3.160 ( -0.790 6.496 -3.588) 7.463 3.245 ( -0.375 0.615 -0.481) 0.867 3.361 ( 0.373 1.206 0.062) 1.264 3.397 ( 3.805 -1.317 0.581) 4.068 3.464 ( -0.876 -0.440 -0.839) 1.290 3.546 ( 0.186 1.403 -0.118) 1.420 3.599 ( 0.805 -1.156 -0.810) 1.625 3.646 ( -0.829 0.042 1.249) 1.500 3.782 ( -0.717 -2.224 -5.200) 5.701 3.933 ( 2.416 -4.329 2.354) 5.488 3.977 ( 0.071 2.018 1.059) 2.280 4.024 ( -0.834 -1.241 0.587) 1.606 4.223 ( -1.025 2.589 0.331) 2.804 4.299 ( -1.515 -0.584 -0.557) 1.717 4.347 ( -2.641 -0.786 -0.152) 2.759 4.443 ( -0.112 -0.677 0.803) 1.056 4.820 ( -0.280 -1.084 0.643) 1.291 4.914 ( 1.378 0.081 -0.464) 1.457 6.200 ( 0.105 0.399 -0.659) 0.778 6.230 ( 0.718 -0.482 0.739) 1.138 8.208 ( -0.634 -0.787 -1.067) 1.470 8.236 ( 0.546 -0.531 0.249) 0.801 12.563 ( -1.119 0.580 -1.055) 1.644 12.580 ( -0.242 0.893 1.349) 1.636 12.666 ( -1.538 0.457 1.396) 2.127 12.723 ( 0.358 2.335 2.712) 3.597 12.851 ( 1.435 0.899 -0.224) 1.708 12.920 ( 1.953 3.822 -2.598) 5.017 13.062 ( -1.164 1.108 1.441) 2.159 13.090 ( -0.693 1.203 -0.953) 1.684 13.684 ( -0.743 0.945 -0.082) 1.205 13.754 ( 0.335 0.046 -0.150) 0.370 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -3.916 9.392 4.086) 10.965 0.511 ( -8.239 10.329 11.847) 17.746 0.634 ( -6.774 14.040 8.827) 17.914 0.993 ( -8.786 7.593 14.280) 18.405 1.139 ( 0.476 -4.041 7.066) 8.154 1.208 ( -2.195 -4.265 6.944) 8.440 1.374 ( -1.242 0.948 -3.978) 4.273 1.436 ( -0.324 -0.417 13.221) 13.232 1.525 ( 0.517 2.293 -1.653) 2.873 1.550 ( 3.196 -1.553 1.778) 3.973 1.640 ( 3.593 -1.114 1.373) 4.004 1.809 ( -3.481 -4.891 -3.329) 6.864 1.947 ( -1.164 0.375 1.567) 1.988 2.015 ( -1.630 -0.127 -1.351) 2.121 2.052 ( -1.390 0.400 -1.686) 2.221 2.196 ( 3.274 -0.724 -1.294) 3.594 2.253 ( 0.327 -2.689 -0.116) 2.711 2.255 ( 2.007 -3.901 -1.259) 4.564 2.377 ( 1.580 2.960 2.695) 4.304 2.407 ( 2.704 -1.515 1.142) 3.303 2.514 ( 1.218 0.714 1.465) 2.035 2.520 ( 0.247 -1.413 -2.971) 3.299 2.623 ( -2.810 0.189 -0.492) 2.859 2.684 ( 0.652 -5.259 -1.855) 5.614 2.740 ( -2.408 0.419 -1.295) 2.766 2.790 ( 2.281 -2.385 0.727) 3.379 2.971 ( 1.843 2.259 0.576) 2.971 3.008 ( -1.601 0.704 -0.785) 1.917 3.115 ( 4.645 6.160 -8.012) 11.122 3.223 ( -0.788 -0.100 -2.270) 2.405 3.372 ( -0.189 0.167 1.213) 1.239 3.434 ( -0.264 0.170 -0.309) 0.441 3.459 ( 2.209 -1.863 0.244) 2.900 3.544 ( 0.502 3.918 -2.546) 4.700 3.598 ( 0.201 -1.026 -0.586) 1.199 3.656 ( -0.729 0.285 3.019) 3.119 3.733 ( -0.570 -1.277 -1.493) 2.046 3.945 ( -3.965 -6.818 4.058) 8.870 3.972 ( 0.317 1.271 -2.048) 2.431 4.077 ( 3.275 -0.959 1.972) 3.941 4.209 ( -1.123 1.138 -0.163) 1.607 4.254 ( -2.871 1.447 -0.410) 3.241 4.306 ( -1.253 -0.355 -0.549) 1.413 4.444 ( -0.209 -0.610 -0.408) 0.763 4.816 ( -0.063 -0.692 -0.287) 0.752 4.918 ( 0.640 1.394 -2.638) 3.051 6.201 ( 0.297 0.373 0.142) 0.497 6.243 ( 0.062 -0.858 0.417) 0.956 8.193 ( -0.018 -0.544 -0.117) 0.557 8.248 ( 0.892 -0.473 -0.324) 1.060 12.542 ( -0.328 0.672 -0.444) 0.870 12.588 ( -0.547 -0.149 1.245) 1.368 12.646 ( -1.544 1.633 -0.162) 2.253 12.753 ( -0.615 -0.011 -1.943) 2.038 12.871 ( 2.327 2.143 1.197) 3.382 12.942 ( 2.360 2.577 -0.207) 3.501 13.054 ( -1.378 1.215 0.873) 2.034 13.077 ( -0.101 1.625 -0.264) 1.649 13.677 ( -0.346 1.138 0.406) 1.257 13.755 ( 0.189 0.130 -0.392) 0.455 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 1.780 6.923 5.236) 8.861 0.711 ( -4.518 9.034 5.431) 11.468 0.809 ( -4.536 4.936 8.705) 10.987 1.102 ( -1.413 1.774 -5.830) 6.256 1.230 ( -6.828 6.184 4.983) 10.474 1.250 ( 2.985 -2.459 5.963) 7.108 1.352 ( -2.761 -3.409 2.099) 4.863 1.418 ( 3.043 1.364 -0.134) 3.337 1.556 ( -4.332 4.025 2.736) 6.516 1.641 ( 2.396 -0.738 0.137) 2.510 1.732 ( 3.599 7.634 5.483) 10.065 1.809 ( 5.002 -2.784 2.884) 6.410 1.938 ( -2.321 -0.330 -1.159) 2.615 1.990 ( 0.072 2.876 0.697) 2.960 2.044 ( 0.310 2.154 -1.536) 2.664 2.124 ( -0.826 -7.794 1.295) 7.944 2.179 ( 2.739 -2.392 -4.905) 6.106 2.244 ( 0.984 1.765 1.858) 2.746 2.409 ( -3.998 0.338 -0.147) 4.015 2.430 ( -2.389 -0.232 -1.166) 2.669 2.494 ( 3.227 0.593 -0.665) 3.348 2.514 ( -0.405 -3.741 0.210) 3.769 2.550 ( 0.475 -4.195 -0.004) 4.222 2.633 ( -1.503 -1.407 0.453) 2.108 2.734 ( -0.756 0.225 -0.721) 1.069 2.762 ( 0.728 -0.420 0.146) 0.853 2.982 ( -1.916 0.565 -0.843) 2.168 3.043 ( 1.768 1.872 -0.251) 2.587 3.117 ( 3.165 -1.210 -5.232) 6.234 3.124 ( -1.708 -2.604 -2.627) 4.074 3.378 ( 0.291 0.617 -0.779) 1.035 3.444 ( 0.930 -2.098 0.277) 2.311 3.477 ( 0.772 0.118 0.798) 1.116 3.538 ( -1.669 1.433 -3.738) 4.337 3.636 ( 2.481 2.410 -0.785) 3.547 3.691 ( 0.862 0.016 2.535) 2.678 3.739 ( 1.002 -0.621 3.694) 3.877 3.823 ( -1.958 -3.852 4.054) 5.925 4.010 ( 1.212 1.528 -1.139) 2.259 4.046 ( -2.484 -1.100 -2.470) 3.671 4.210 ( 1.341 -0.086 1.005) 1.678 4.264 ( -0.744 0.150 -0.828) 1.123 4.315 ( 0.224 1.633 1.029) 1.943 4.407 ( -0.673 -1.023 -0.849) 1.490 4.815 ( 0.212 -0.181 0.018) 0.279 4.878 ( -0.710 -1.346 -2.403) 2.844 6.214 ( 0.262 0.043 0.342) 0.433 6.226 ( -0.217 -0.829 0.199) 0.880 8.183 ( 0.340 -0.796 0.055) 0.867 8.221 ( 0.158 -1.973 -0.689) 2.096 12.554 ( 0.385 0.252 0.790) 0.915 12.578 ( -0.607 -0.734 1.634) 1.891 12.653 ( -0.747 1.862 -1.545) 2.532 12.724 ( -0.202 0.401 -2.570) 2.608 12.949 ( -1.038 3.014 1.347) 3.461 12.997 ( -0.080 1.732 -0.012) 1.734 13.079 ( 0.116 2.533 -0.520) 2.589 13.115 ( 1.063 1.900 -0.540) 2.243 13.711 ( 0.063 1.825 0.690) 1.952 13.758 ( 0.167 0.339 -0.324) 0.498 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.916 5.026 8.961) 10.314 0.743 ( 1.658 3.280 8.321) 9.097 0.839 ( -2.720 5.305 7.128) 9.292 1.015 ( -1.600 2.988 -5.695) 6.628 1.155 ( -3.480 -0.268 0.122) 3.492 1.242 ( -0.251 -5.335 -5.366) 7.571 1.359 ( 0.310 -2.153 -0.217) 2.186 1.498 ( -2.184 -0.950 9.109) 9.416 1.565 ( 0.716 3.812 5.041) 6.361 1.653 ( -0.946 1.778 1.149) 2.319 1.802 ( 1.191 4.013 -1.881) 4.590 1.888 ( 1.058 -1.445 -1.083) 2.093 1.944 ( 0.624 1.566 2.358) 2.898 2.009 ( -0.607 1.927 -3.212) 3.794 2.023 ( 3.445 2.447 0.624) 4.272 2.150 ( -0.440 -0.110 -1.753) 1.811 2.159 ( 0.725 -2.231 3.231) 3.993 2.281 ( 1.208 1.724 0.815) 2.257 2.331 ( -4.341 3.283 1.112) 5.555 2.351 ( -4.343 -0.739 0.876) 4.492 2.479 ( -4.029 -4.187 -1.136) 5.921 2.534 ( -0.429 -4.433 -0.578) 4.491 2.555 ( 2.722 -0.384 -0.247) 2.760 2.616 ( 0.241 -1.500 -1.104) 1.878 2.700 ( -1.230 -1.593 -0.057) 2.014 2.841 ( 5.580 0.118 2.008) 5.932 2.923 ( -2.444 1.028 -2.933) 3.954 3.046 ( -0.229 2.378 -1.580) 2.865 3.079 ( 1.922 -0.235 -2.138) 2.884 3.139 ( 2.893 -2.752 -4.504) 6.019 3.374 ( -0.013 0.243 0.830) 0.865 3.439 ( -0.403 0.531 -0.787) 1.031 3.498 ( 0.874 -0.761 -1.002) 1.532 3.509 ( 0.846 -1.581 0.483) 1.857 3.662 ( -0.169 1.518 1.861) 2.407 3.698 ( -0.324 2.794 -0.241) 2.823 3.799 ( 0.410 -3.502 1.917) 4.014 3.876 ( 2.296 -1.740 2.792) 4.012 3.975 ( -2.432 1.039 -1.149) 2.883 4.008 ( 0.475 0.694 -1.291) 1.540 4.237 ( 0.010 -1.152 -0.309) 1.192 4.261 ( 1.974 -1.000 -0.156) 2.219 4.330 ( 0.124 1.131 0.964) 1.491 4.382 ( -0.860 -0.093 -1.160) 1.447 4.807 ( -1.168 -0.152 -0.367) 1.234 4.858 ( 1.124 -1.597 -0.876) 2.140 6.218 ( -0.532 -0.505 -0.007) 0.734 6.226 ( 0.247 -0.269 0.476) 0.599 8.187 ( -0.015 -1.047 -0.116) 1.053 8.216 ( 0.283 -1.798 -0.613) 1.920 12.578 ( 0.631 0.195 1.551) 1.686 12.590 ( -0.105 0.470 0.950) 1.065 12.626 ( 0.096 1.696 -1.379) 2.188 12.703 ( 0.916 0.326 -1.818) 2.061 12.923 ( -3.212 2.878 0.710) 4.371 12.996 ( -0.239 0.928 0.257) 0.993 13.083 ( 1.059 3.291 -0.511) 3.494 13.134 ( 1.867 1.966 -0.249) 2.722 13.722 ( 0.156 1.647 0.809) 1.842 13.756 ( 0.065 0.613 -0.470) 0.776 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.347 4.679 5.843) 7.494 0.809 ( -3.614 2.010 3.754) 5.585 0.879 ( -0.847 2.752 0.707) 2.965 0.957 ( 0.590 8.022 4.710) 9.321 1.179 ( 3.010 -4.091 3.056) 5.928 1.216 ( 2.566 -4.471 -2.741) 5.838 1.344 ( -1.459 -3.499 -0.112) 3.793 1.500 ( -5.296 -5.466 0.894) 7.663 1.605 ( -1.306 3.403 1.217) 3.843 1.678 ( -2.296 5.268 6.575) 8.733 1.781 ( 0.611 2.052 -3.176) 3.831 1.871 ( -0.284 -1.703 -2.292) 2.870 1.926 ( -1.269 1.248 -3.397) 3.836 1.965 ( -0.980 -3.046 0.031) 3.200 2.057 ( 0.046 3.518 -1.057) 3.673 2.130 ( 2.425 -0.487 -1.640) 2.968 2.193 ( -1.463 -0.755 2.306) 2.833 2.303 ( -0.285 -2.486 1.041) 2.710 2.313 ( -0.463 2.610 2.629) 3.734 2.358 ( -0.758 3.664 3.585) 5.182 2.409 ( -0.220 -1.728 -1.330) 2.192 2.496 ( -3.123 -3.784 -1.979) 5.290 2.567 ( -0.448 -1.314 1.470) 2.022 2.640 ( 3.459 -0.244 -1.327) 3.713 2.691 ( 0.243 -0.346 -0.924) 1.016 2.842 ( -2.188 -0.252 -4.164) 4.711 2.947 ( 3.375 3.703 1.962) 5.381 3.040 ( 1.955 3.714 -1.064) 4.330 3.111 ( 0.971 -1.109 -3.080) 3.414 3.115 ( 3.491 0.443 0.054) 3.519 3.406 ( 0.968 0.546 1.274) 1.691 3.424 ( -1.057 0.024 0.149) 1.068 3.502 ( 1.218 -1.919 -0.219) 2.283 3.530 ( 1.480 -2.557 -0.863) 3.077 3.641 ( -1.364 2.470 -2.000) 3.459 3.734 ( 0.673 1.226 4.725) 4.928 3.781 ( -1.896 -1.569 -1.218) 2.745 3.880 ( -0.810 2.040 -3.679) 4.284 3.978 ( 0.292 -3.008 3.575) 4.681 4.013 ( 0.992 -0.566 -0.834) 1.414 4.231 ( 0.216 -1.017 -0.058) 1.041 4.283 ( 0.322 0.511 -0.380) 0.714 4.345 ( 1.336 -0.642 -0.055) 1.484 4.358 ( -1.080 0.042 -0.362) 1.140 4.786 ( -0.654 0.508 -0.087) 0.833 4.881 ( 1.490 -2.051 0.515) 2.587 6.204 ( -0.801 -0.185 -0.193) 0.845 6.236 ( 0.167 -0.796 0.393) 0.904 8.179 ( -0.390 -0.925 -0.411) 1.085 8.218 ( 0.512 -2.096 -0.289) 2.177 12.580 ( -0.391 2.305 -0.439) 2.379 12.610 ( 0.873 0.287 1.068) 1.409 12.638 ( 1.197 0.818 0.729) 1.623 12.712 ( 1.722 -0.748 -0.719) 2.010 12.873 ( -3.411 3.528 0.413) 4.925 12.992 ( -0.713 0.098 0.389) 0.819 13.096 ( 1.185 4.362 -0.605) 4.560 13.167 ( 2.200 2.001 -0.118) 2.976 13.733 ( 0.252 1.212 0.576) 1.365 13.750 ( 0.087 0.742 -0.577) 0.944 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.669 3.488 -6.330) 7.258 0.789 ( -3.406 4.664 4.594) 7.380 0.963 ( -0.307 2.101 10.939) 11.144 1.067 ( 2.856 2.842 5.611) 6.908 1.216 ( -0.531 -3.422 0.963) 3.594 1.272 ( 4.110 -3.593 -0.635) 5.496 1.319 ( -1.499 -2.198 0.639) 2.736 1.382 ( -4.655 -5.355 -3.482) 7.904 1.560 ( -2.906 3.153 -2.333) 4.882 1.697 ( -4.512 1.431 2.075) 5.168 1.730 ( -2.773 -0.554 3.032) 4.146 1.805 ( -2.482 1.932 -1.571) 3.516 1.902 ( 2.286 -1.158 -4.015) 4.763 1.983 ( 0.786 1.978 0.604) 2.212 2.068 ( 2.495 0.454 -0.201) 2.543 2.153 ( 0.845 -1.642 0.754) 1.994 2.207 ( 0.849 -1.285 0.897) 1.782 2.297 ( -1.210 -1.767 -1.562) 2.651 2.313 ( 0.976 -0.834 -0.702) 1.463 2.371 ( -4.582 2.550 0.188) 5.247 2.401 ( -1.254 0.413 2.532) 2.856 2.452 ( 3.247 -2.859 -1.638) 4.626 2.571 ( -0.474 -0.472 -1.047) 1.243 2.674 ( 0.565 -2.635 0.804) 2.813 2.703 ( 2.804 2.644 0.257) 3.863 2.771 ( -1.735 -1.624 -2.121) 3.185 2.990 ( 0.891 9.200 0.564) 9.260 3.076 ( 2.541 4.133 -0.281) 4.860 3.132 ( 3.286 0.510 0.149) 3.329 3.178 ( 2.652 1.231 0.940) 3.071 3.391 ( -1.333 -1.653 -0.892) 2.304 3.427 ( -0.575 -1.084 0.846) 1.490 3.516 ( 0.886 0.688 -2.065) 2.350 3.540 ( 1.245 -2.213 -0.956) 2.713 3.608 ( -0.135 1.420 -0.263) 1.451 3.730 ( -1.466 -0.974 -1.477) 2.298 3.811 ( -0.613 0.536 4.153) 4.232 3.820 ( 0.529 1.675 -3.049) 3.519 3.994 ( -0.157 -2.018 -2.336) 3.090 4.023 ( -0.199 -3.093 2.695) 4.107 4.240 ( 0.490 0.040 0.089) 0.499 4.278 ( -0.206 1.089 0.288) 1.145 4.339 ( -1.559 -0.397 1.022) 1.906 4.366 ( 1.689 -1.365 -0.738) 2.294 4.784 ( -0.107 0.934 0.534) 1.081 4.907 ( 0.865 -2.026 0.159) 2.208 6.190 ( -0.649 -0.006 -0.073) 0.654 6.239 ( -0.027 -1.196 -0.007) 1.196 8.171 ( -0.211 -0.788 -0.135) 0.827 8.223 ( 0.390 -2.427 -0.191) 2.465 12.575 ( 0.164 2.707 -0.110) 2.714 12.633 ( 0.838 0.356 0.527) 1.052 12.664 ( 0.679 0.983 0.929) 1.513 12.733 ( 1.186 -1.995 -0.297) 2.340 12.830 ( -2.501 4.952 0.974) 5.632 12.984 ( -0.824 -0.325 0.589) 1.064 13.106 ( 1.025 5.144 -0.950) 5.331 13.196 ( 1.607 2.081 -0.626) 2.702 13.741 ( 0.312 0.747 -0.118) 0.818 13.747 ( 0.161 0.669 -0.349) 0.772 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.495 2.618 -2.944) 3.970 0.781 ( -2.290 4.044 2.424) 5.242 1.037 ( -4.693 -0.596 8.849) 10.034 1.105 ( -2.702 0.791 0.157) 2.820 1.212 ( -1.476 0.085 1.034) 1.804 1.246 ( -1.370 -6.618 -2.332) 7.149 1.335 ( 2.155 -2.026 -1.997) 3.569 1.376 ( 3.247 -2.759 2.860) 5.132 1.497 ( -1.796 2.334 -0.349) 2.965 1.658 ( -2.131 -0.455 3.810) 4.389 1.737 ( 0.335 2.006 0.542) 2.105 1.780 ( -3.077 3.916 2.643) 5.638 1.891 ( 2.155 -0.307 -4.155) 4.690 1.999 ( 1.569 3.101 0.027) 3.475 2.101 ( 0.903 -0.823 0.583) 1.354 2.174 ( -0.257 -2.669 1.032) 2.873 2.199 ( -1.751 -1.985 -2.267) 3.485 2.251 ( -0.621 1.486 -4.586) 4.861 2.273 ( -0.051 -2.536 -0.740) 2.642 2.340 ( -0.272 -2.262 -0.533) 2.340 2.426 ( -0.520 1.734 2.606) 3.173 2.500 ( 3.786 0.967 -2.668) 4.731 2.539 ( -0.846 -2.154 0.513) 2.371 2.674 ( -0.944 -2.592 -1.873) 3.335 2.735 ( 0.308 1.457 1.536) 2.139 2.787 ( 2.250 -0.735 4.001) 4.649 3.002 ( -0.253 9.854 0.616) 9.876 3.107 ( 1.675 4.281 -0.217) 4.602 3.192 ( 2.021 1.788 1.671) 3.174 3.205 ( -0.046 1.963 0.163) 1.970 3.360 ( -0.284 -1.939 -1.874) 2.711 3.412 ( -1.335 -1.154 -1.083) 2.071 3.510 ( 1.493 3.209 -0.521) 3.578 3.556 ( 1.886 -2.246 -0.534) 2.981 3.613 ( -0.791 -0.725 0.870) 1.381 3.698 ( 0.023 -1.432 -2.312) 2.719 3.749 ( -1.420 1.349 -3.646) 4.139 3.878 ( 0.523 0.249 2.887) 2.944 3.957 ( -0.373 -3.321 -2.334) 4.077 4.044 ( -0.358 -1.147 1.545) 1.958 4.248 ( 0.029 -0.012 0.539) 0.540 4.288 ( 0.521 0.766 0.922) 1.307 4.333 ( -1.215 -0.756 1.970) 2.435 4.384 ( 1.115 -1.856 -0.201) 2.174 4.789 ( -0.250 0.895 0.733) 1.183 4.908 ( -0.039 -1.996 -1.039) 2.251 6.184 ( -0.170 0.125 0.187) 0.282 6.235 ( -0.118 -1.125 -0.443) 1.215 8.171 ( 0.103 -0.730 0.410) 0.844 8.226 ( 0.217 -2.409 -0.195) 2.427 12.581 ( 0.200 2.677 0.506) 2.732 12.645 ( 0.135 0.265 -0.124) 0.323 12.678 ( -0.213 1.110 0.672) 1.315 12.738 ( 0.316 -2.344 -0.564) 2.432 12.821 ( -0.998 5.833 2.170) 6.303 12.982 ( -0.442 -0.103 0.961) 1.063 13.107 ( 0.742 5.264 -1.348) 5.484 13.201 ( 0.586 2.095 -1.529) 2.659 13.742 ( 0.393 0.507 -0.561) 0.853 13.745 ( -0.030 0.531 -0.295) 0.608 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -3.754 5.165 -0.814) 6.437 0.795 ( 1.620 -0.854 2.011) 2.720 1.019 ( -7.620 3.667 0.791) 8.493 1.045 ( -4.392 1.317 7.663) 8.930 1.186 ( -1.054 1.593 0.152) 1.916 1.234 ( 0.316 -6.938 -0.849) 6.997 1.340 ( 0.056 -2.560 -1.674) 3.059 1.449 ( 1.535 -5.037 2.147) 5.686 1.504 ( 2.889 3.528 -0.073) 4.561 1.695 ( 0.846 0.032 3.538) 3.638 1.711 ( -6.665 4.737 1.666) 8.345 1.797 ( 6.584 2.807 -1.163) 7.252 1.876 ( 1.545 1.685 -3.321) 4.032 2.028 ( 1.577 0.894 -1.141) 2.142 2.077 ( -4.468 0.751 -0.994) 4.639 2.131 ( -2.047 -1.431 2.230) 3.349 2.183 ( 0.216 -1.735 -0.755) 1.904 2.252 ( 0.834 -0.142 -1.651) 1.855 2.274 ( -0.504 -4.975 -2.387) 5.542 2.323 ( 4.180 -0.220 0.808) 4.263 2.433 ( -0.383 1.869 -1.681) 2.542 2.492 ( -0.749 -0.515 -0.366) 0.980 2.554 ( -0.782 -1.803 -0.743) 2.101 2.633 ( 0.761 -1.330 -1.616) 2.227 2.771 ( -0.144 1.787 3.071) 3.556 2.876 ( 2.334 -1.597 4.408) 5.237 2.992 ( -1.797 7.490 0.312) 7.709 3.117 ( -0.650 3.720 -0.405) 3.798 3.188 ( -1.318 0.170 1.268) 1.837 3.234 ( -0.278 2.179 2.315) 3.191 3.349 ( 1.342 0.387 -1.707) 2.205 3.376 ( -0.000 0.935 -2.124) 2.321 3.535 ( 1.125 2.347 -0.717) 2.699 3.578 ( -1.371 -0.984 0.080) 1.690 3.595 ( 0.722 -1.649 -0.121) 1.804 3.653 ( -0.222 -1.989 -5.129) 5.505 3.734 ( 1.601 0.851 1.213) 2.181 3.878 ( 0.068 -2.444 -3.391) 4.180 3.954 ( -0.229 -0.576 2.409) 2.487 4.047 ( -0.271 -0.122 -0.051) 0.302 4.250 ( -0.638 -0.259 1.121) 1.315 4.312 ( 0.506 0.323 1.044) 1.204 4.345 ( -0.229 -1.307 2.072) 2.460 4.393 ( 0.054 -2.358 -0.011) 2.359 4.794 ( -0.347 0.460 1.113) 1.253 4.887 ( -0.307 -2.078 -1.690) 2.696 6.190 ( 0.366 0.151 0.478) 0.621 6.226 ( -0.106 -0.602 -0.786) 0.995 8.182 ( 0.268 -0.789 0.821) 1.170 8.225 ( -0.002 -1.997 -0.445) 2.046 12.590 ( -0.153 2.226 0.893) 2.404 12.633 ( -0.965 0.209 -0.627) 1.169 12.675 ( -0.844 0.949 0.738) 1.469 12.738 ( 0.485 -1.777 -0.617) 1.943 12.840 ( -0.266 5.786 2.943) 6.497 12.990 ( -0.057 0.891 0.902) 1.269 13.101 ( 0.472 4.528 -1.348) 4.747 13.182 ( -0.269 1.975 -2.218) 2.982 13.735 ( -0.422 0.699 -0.588) 1.006 13.746 ( 0.507 0.324 -0.404) 0.725 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -4.989 6.519 -2.675) 8.634 0.835 ( -3.856 -4.373 4.811) 7.559 0.892 ( -8.201 5.581 0.932) 9.963 1.094 ( -0.110 2.746 5.422) 6.079 1.151 ( -3.217 -1.550 0.903) 3.683 1.235 ( 0.634 -0.231 -1.497) 1.642 1.324 ( 0.504 1.939 1.216) 2.344 1.455 ( -1.905 -0.448 1.275) 2.335 1.580 ( 3.134 1.069 -1.444) 3.613 1.608 ( -5.008 6.310 1.367) 8.171 1.776 ( 5.595 0.056 1.197) 5.722 1.851 ( -0.276 4.050 -3.721) 5.507 1.916 ( 6.568 0.874 0.149) 6.628 1.975 ( -3.635 -4.227 -0.768) 5.628 2.057 ( 2.183 2.084 -2.357) 3.829 2.135 ( -2.982 -2.225 -2.382) 4.418 2.160 ( -0.943 -2.276 1.862) 3.088 2.211 ( 1.973 3.236 0.900) 3.895 2.299 ( 1.236 -2.739 0.843) 3.121 2.338 ( -2.768 -0.267 -1.869) 3.351 2.452 ( 0.641 -2.192 3.250) 3.972 2.473 ( 1.706 1.185 -3.985) 4.494 2.508 ( 0.147 -3.522 -1.202) 3.724 2.659 ( 1.780 -2.072 0.243) 2.743 2.780 ( -2.605 1.499 2.157) 3.699 2.923 ( -1.005 0.555 -2.316) 2.585 2.965 ( -1.495 1.716 3.255) 3.972 3.083 ( -1.799 4.171 -0.658) 4.589 3.209 ( -0.371 -2.542 2.194) 3.379 3.242 ( -1.412 1.717 3.549) 4.187 3.352 ( 1.091 1.335 -1.514) 2.295 3.382 ( 2.570 2.078 -0.916) 3.429 3.511 ( -1.660 0.614 -1.628) 2.405 3.553 ( -0.258 0.004 -0.357) 0.441 3.583 ( -0.427 -0.713 -3.427) 3.527 3.636 ( 1.960 -0.185 -0.239) 1.983 3.794 ( 2.339 -2.454 2.202) 4.043 3.822 ( -0.587 -2.155 -5.262) 5.717 3.985 ( 0.052 1.131 2.955) 3.164 4.035 ( -0.423 0.577 -0.760) 1.044 4.258 ( -0.490 0.172 1.577) 1.660 4.311 ( -0.865 -0.536 -0.416) 1.099 4.353 ( -1.132 -1.505 0.342) 1.914 4.400 ( 0.398 -2.183 1.165) 2.506 4.803 ( -0.244 -0.076 1.068) 1.098 4.874 ( 0.615 -1.937 -0.446) 2.081 6.204 ( 0.545 -0.119 0.552) 0.785 6.216 ( 0.008 0.003 -0.827) 0.827 8.195 ( 0.091 -0.977 0.721) 1.218 8.216 ( -0.053 -1.425 -0.778) 1.624 12.591 ( -1.029 0.825 0.672) 1.480 12.606 ( -1.218 0.523 -0.568) 1.443 12.674 ( -0.656 0.834 1.290) 1.670 12.739 ( 0.311 -0.628 -0.265) 0.749 12.875 ( 0.286 5.158 2.857) 5.903 12.995 ( 0.098 2.423 -0.166) 2.431 13.095 ( 0.180 3.119 -0.476) 3.160 13.148 ( -0.583 1.818 -2.234) 2.939 13.720 ( -0.530 1.115 -0.540) 1.348 13.750 ( 0.492 0.129 -0.276) 0.578 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -0.625 6.318 0.188) 6.352 0.741 ( -9.257 9.065 4.911) 13.855 0.839 ( -4.978 -3.283 4.837) 7.678 1.082 ( -1.661 6.481 -1.163) 6.791 1.178 ( -1.476 2.664 7.012) 7.645 1.240 ( 1.450 0.736 -0.949) 1.883 1.332 ( -4.573 5.211 5.087) 8.599 1.469 ( 1.683 1.059 0.167) 1.995 1.535 ( -1.226 4.027 -0.183) 4.214 1.614 ( 0.152 1.021 -0.397) 1.106 1.742 ( -4.109 7.345 -6.390) 10.568 1.833 ( -0.629 -1.481 -4.006) 4.317 1.930 ( -1.035 -0.896 1.820) 2.277 2.029 ( 4.965 -2.973 0.421) 5.802 2.047 ( -1.234 0.485 -0.830) 1.564 2.073 ( 4.074 -1.806 -3.045) 5.398 2.196 ( -0.848 -2.144 2.193) 3.182 2.237 ( 0.176 0.669 -1.654) 1.792 2.300 ( 0.854 -2.848 1.208) 3.209 2.355 ( 2.074 1.731 4.218) 5.009 2.446 ( 1.181 -1.075 -1.457) 2.161 2.480 ( 1.970 -3.683 -1.041) 4.305 2.555 ( 2.644 -4.831 0.449) 5.526 2.684 ( 1.162 -1.325 -0.218) 1.776 2.744 ( -3.762 1.051 2.103) 4.436 2.840 ( -3.445 1.252 -3.279) 4.918 2.986 ( -0.380 0.833 1.847) 2.061 3.060 ( -0.489 3.590 -0.438) 3.649 3.184 ( -3.108 -1.184 0.488) 3.362 3.248 ( -1.711 -2.170 -0.866) 2.895 3.374 ( 2.135 0.013 0.777) 2.272 3.413 ( 1.541 4.005 -1.369) 4.504 3.455 ( -0.899 -0.956 -2.561) 2.877 3.563 ( 1.057 0.854 1.464) 1.998 3.588 ( 2.444 -0.951 0.644) 2.700 3.645 ( -0.160 -0.163 -1.152) 1.174 3.750 ( -1.106 -0.819 -4.480) 4.686 3.839 ( -0.268 -5.034 2.324) 5.551 4.019 ( -0.018 1.425 -1.489) 2.061 4.021 ( 0.639 1.674 2.720) 3.257 4.251 ( -1.586 0.055 -0.149) 1.594 4.300 ( -0.514 0.608 0.670) 1.041 4.324 ( -1.738 -1.247 -0.649) 2.236 4.417 ( 0.166 -1.922 0.661) 2.039 4.808 ( 0.053 -0.100 0.206) 0.235 4.895 ( 1.098 -1.895 0.771) 2.322 6.207 ( 0.139 0.209 -0.497) 0.557 6.219 ( 0.336 -0.531 0.397) 0.743 8.192 ( -0.425 -0.778 -0.536) 1.036 8.215 ( 0.465 -1.455 -0.043) 1.528 12.570 ( -1.381 0.117 -0.239) 1.407 12.587 ( -1.304 -0.075 0.600) 1.437 12.680 ( -0.424 1.082 1.029) 1.552 12.746 ( 0.618 -0.162 0.178) 0.663 12.908 ( 0.419 4.622 1.938) 5.029 12.992 ( 0.450 3.257 -0.920) 3.414 13.094 ( -0.363 2.243 0.351) 2.299 13.119 ( -0.166 1.755 -1.515) 2.325 13.708 ( -0.333 1.503 -0.185) 1.550 13.755 ( 0.399 0.021 -0.229) 0.461 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 1.818 7.090 2.785) 7.831 0.707 ( -5.304 10.690 8.835) 14.848 0.813 ( -6.084 2.170 6.368) 9.070 1.091 ( 2.065 5.697 4.445) 7.515 1.199 ( -1.672 3.197 -1.456) 3.891 1.253 ( -4.940 11.451 9.999) 15.985 1.321 ( -1.708 -4.950 2.763) 5.920 1.456 ( -2.455 1.813 -1.418) 3.364 1.553 ( 4.015 2.629 0.193) 4.804 1.606 ( 0.384 0.190 -3.422) 3.449 1.661 ( -0.559 7.250 2.562) 7.710 1.760 ( -0.952 -0.925 -1.691) 2.150 1.959 ( 0.760 0.104 1.309) 1.517 2.019 ( -2.132 -0.327 -0.851) 2.319 2.042 ( -0.425 -1.705 0.159) 1.764 2.148 ( 3.429 -7.111 -3.141) 8.496 2.167 ( 0.615 -3.489 -2.762) 4.492 2.220 ( -0.339 0.650 1.243) 1.443 2.377 ( 4.400 -1.692 1.537) 4.959 2.433 ( 1.112 2.676 3.543) 4.577 2.471 ( 2.928 -2.132 -1.605) 3.962 2.498 ( 0.883 -3.566 0.473) 3.704 2.567 ( -0.596 -3.478 -1.698) 3.916 2.660 ( -2.708 -0.042 0.159) 2.713 2.756 ( 0.553 -0.594 1.532) 1.733 2.761 ( -1.721 1.583 -1.716) 2.900 2.996 ( -0.033 0.972 0.720) 1.210 3.040 ( -0.780 2.500 -1.116) 2.847 3.135 ( -0.627 -1.192 -2.937) 3.232 3.198 ( -2.134 -2.786 -2.228) 4.157 3.386 ( -0.450 0.692 -1.085) 1.363 3.416 ( 2.301 -0.885 -0.379) 2.494 3.457 ( 1.164 1.017 -0.156) 1.554 3.596 ( 1.975 1.149 -0.045) 2.285 3.604 ( -0.308 1.326 -3.307) 3.576 3.666 ( 1.212 -0.100 3.892) 4.078 3.692 ( -0.997 -1.722 -1.202) 2.325 3.838 ( -3.957 -4.856 3.888) 7.373 4.004 ( 1.016 1.690 -1.938) 2.765 4.067 ( 1.350 -0.270 1.007) 1.706 4.213 ( -1.966 0.220 -0.709) 2.101 4.288 ( -1.518 0.137 0.128) 1.529 4.306 ( -0.083 1.528 0.191) 1.542 4.420 ( -0.189 -1.757 -0.125) 1.771 4.811 ( 0.311 0.183 -0.159) 0.394 4.907 ( 0.051 -1.905 -0.911) 2.112 6.208 ( 0.304 0.231 -0.027) 0.383 6.225 ( -0.068 -0.934 0.289) 0.980 8.182 ( -0.042 -0.536 -0.376) 0.656 8.222 ( 0.459 -1.906 -0.274) 1.980 12.552 ( -0.619 0.285 0.045) 0.683 12.577 ( -1.211 -0.878 1.254) 1.952 12.676 ( -0.676 1.545 -0.297) 1.713 12.751 ( 0.192 -0.582 -1.287) 1.425 12.934 ( 0.577 4.061 1.237) 4.284 12.994 ( 0.538 2.677 -0.205) 2.738 13.088 ( -0.670 2.187 0.039) 2.288 13.110 ( 0.478 1.810 -0.721) 2.006 13.705 ( -0.079 1.749 0.301) 1.777 13.758 ( 0.283 0.088 -0.250) 0.388 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.477 6.213 4.228) 7.530 0.779 ( -3.983 -2.444 6.253) 7.806 0.921 ( -3.097 8.582 5.401) 10.603 1.095 ( -2.619 -8.394 0.344) 8.800 1.204 ( -1.882 4.567 -5.837) 7.647 1.282 ( -1.849 -1.196 -5.359) 5.794 1.381 ( 0.722 4.296 -1.063) 4.484 1.446 ( 1.046 -0.517 -0.553) 1.291 1.615 ( 0.197 3.100 -0.314) 3.122 1.672 ( -0.509 2.255 2.706) 3.559 1.751 ( 0.297 -1.261 -0.450) 1.371 1.831 ( 1.161 -2.320 1.534) 3.014 1.902 ( 3.793 0.995 4.221) 5.761 1.978 ( 3.337 -5.129 5.022) 7.916 2.086 ( 0.366 3.869 3.131) 4.991 2.106 ( -1.094 2.144 -2.083) 3.183 2.164 ( 4.005 3.164 1.217) 5.247 2.269 ( 1.102 -2.496 5.565) 6.197 2.348 ( -1.216 -0.320 -2.605) 2.893 2.418 ( -1.095 -4.502 -0.236) 4.640 2.474 ( -2.450 0.856 0.093) 2.597 2.494 ( -0.876 -0.821 0.188) 1.215 2.529 ( 0.265 1.936 -0.197) 1.964 2.585 ( -2.102 -3.440 -0.069) 4.032 2.740 ( -1.133 0.594 -2.019) 2.390 2.754 ( 1.176 -0.825 -1.789) 2.295 3.008 ( -1.010 2.384 -1.247) 2.874 3.057 ( 0.991 -1.900 -1.596) 2.672 3.079 ( -0.152 -0.101 -1.722) 1.731 3.096 ( -0.547 -1.171 -1.687) 2.125 3.393 ( 0.184 0.980 -0.019) 0.997 3.416 ( 0.787 -1.292 0.002) 1.513 3.491 ( 0.588 1.865 -1.498) 2.464 3.535 ( -0.181 -1.868 -2.707) 3.294 3.690 ( 2.295 3.024 1.268) 4.002 3.700 ( -0.889 1.147 3.036) 3.365 3.725 ( 1.290 -0.881 2.956) 3.344 3.756 ( -0.582 -3.386 3.712) 5.058 4.026 ( 0.579 0.483 -1.640) 1.805 4.035 ( -0.095 -0.388 -1.800) 1.844 4.222 ( -0.224 1.285 -0.404) 1.366 4.249 ( -0.712 -1.400 -1.097) 1.916 4.349 ( -0.100 1.875 0.634) 1.982 4.382 ( -0.308 -1.606 -0.044) 1.636 4.821 ( -0.207 0.900 -0.534) 1.067 4.847 ( -0.626 -1.714 -1.349) 2.269 6.213 ( 0.057 -0.070 0.173) 0.195 6.215 ( 0.127 -0.310 0.214) 0.398 8.175 ( 0.233 0.067 -0.265) 0.359 8.188 ( 0.176 -1.326 -0.436) 1.407 12.557 ( 0.092 0.178 1.191) 1.208 12.565 ( -0.123 -0.621 1.527) 1.653 12.684 ( -0.416 1.551 -1.757) 2.380 12.712 ( -0.181 -1.307 -2.033) 2.424 13.003 ( -1.502 2.168 1.249) 2.918 13.020 ( -1.155 0.356 0.697) 1.396 13.124 ( 1.054 1.886 -0.999) 2.380 13.139 ( 1.353 0.351 -0.952) 1.691 13.743 ( 0.154 1.390 0.445) 1.467 13.759 ( 0.198 -0.337 0.091) 0.402 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.334 2.875 7.659) 8.289 0.795 ( -1.373 0.164 5.317) 5.494 0.937 ( -1.049 7.028 3.259) 7.818 1.074 ( -1.953 -4.039 2.876) 5.329 1.113 ( -1.633 1.142 -3.266) 3.826 1.163 ( -0.171 -2.605 -9.306) 9.666 1.361 ( -1.851 3.041 -2.252) 4.212 1.446 ( -2.636 -4.620 0.810) 5.380 1.651 ( 3.715 5.209 1.596) 6.595 1.728 ( 0.004 5.764 5.162) 7.738 1.758 ( 3.233 -5.355 -1.232) 6.376 1.846 ( -0.870 -5.110 1.727) 5.464 1.982 ( -3.369 2.937 -0.436) 4.490 2.026 ( -2.380 -1.204 -2.177) 3.443 2.087 ( 3.171 3.776 1.318) 5.104 2.129 ( 0.511 -0.446 3.868) 3.927 2.203 ( -0.971 3.316 -0.950) 3.584 2.263 ( -2.816 -3.160 -3.085) 5.238 2.373 ( 0.346 1.352 3.433) 3.705 2.391 ( 0.762 2.358 2.116) 3.259 2.417 ( -3.899 -0.341 0.751) 3.985 2.475 ( -2.426 -2.014 1.384) 3.443 2.545 ( -0.639 -0.610 0.871) 1.241 2.564 ( 3.181 -2.868 -1.203) 4.449 2.711 ( 0.564 2.588 -1.575) 3.082 2.787 ( 3.686 -4.707 -1.237) 6.105 2.972 ( -0.666 3.657 -0.877) 3.819 3.038 ( 0.194 -2.976 -1.936) 3.556 3.082 ( 2.195 0.557 -1.295) 2.609 3.101 ( 2.494 -1.132 -1.428) 3.089 3.396 ( 0.338 2.191 0.667) 2.315 3.436 ( 0.951 -1.391 0.592) 1.786 3.486 ( 0.957 0.594 -1.723) 2.059 3.503 ( -0.089 -0.492 -2.708) 2.754 3.691 ( -1.871 1.644 1.780) 3.061 3.733 ( -2.297 -2.807 2.595) 4.460 3.765 ( 2.413 3.521 1.400) 4.492 3.829 ( 2.481 -3.049 3.364) 5.173 4.003 ( -0.866 1.731 -1.707) 2.581 4.023 ( 0.219 0.056 -1.871) 1.885 4.217 ( 0.362 -0.303 -0.794) 0.924 4.233 ( 1.281 -1.672 -0.811) 2.257 4.353 ( -0.642 1.177 0.637) 1.484 4.372 ( -0.842 -0.863 -0.175) 1.219 4.810 ( -0.487 0.587 -0.353) 0.840 4.829 ( 0.269 -1.361 -0.605) 1.513 6.213 ( -0.240 0.075 0.066) 0.260 6.219 ( 0.058 -0.448 0.161) 0.480 8.175 ( 0.076 -0.102 -0.339) 0.362 8.186 ( 0.194 -1.201 -0.508) 1.318 12.582 ( 0.696 0.264 1.799) 1.947 12.589 ( 0.596 -0.369 1.733) 1.869 12.658 ( 0.086 1.649 -2.021) 2.610 12.688 ( 0.395 -1.485 -2.123) 2.621 12.979 ( -2.572 2.470 0.725) 3.638 13.005 ( -1.527 -0.298 0.549) 1.650 13.140 ( 2.013 2.312 -0.665) 3.137 13.159 ( 2.159 0.338 -0.578) 2.261 13.750 ( 0.044 1.179 0.446) 1.261 13.762 ( 0.019 -0.072 0.009) 0.075 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.062 3.361 4.587) 5.784 0.883 ( 1.047 2.942 9.126) 9.646 0.935 ( -0.644 4.697 -1.854) 5.091 1.065 ( 0.745 -1.871 -1.186) 2.337 1.094 ( -1.464 -1.314 3.276) 3.821 1.143 ( 3.233 -2.239 0.865) 4.026 1.304 ( -2.135 1.244 -0.696) 2.567 1.390 ( -4.040 -6.033 -0.586) 7.285 1.680 ( -1.037 4.038 -1.450) 4.414 1.740 ( -2.196 -1.102 -0.237) 2.468 1.812 ( -1.426 2.861 1.214) 3.419 1.855 ( 1.292 0.526 -1.025) 1.731 1.908 ( -0.719 -2.219 0.095) 2.334 1.925 ( -2.700 -1.788 -3.822) 5.009 2.107 ( -2.587 2.275 0.550) 3.488 2.155 ( -2.465 -2.551 3.170) 4.757 2.156 ( 1.765 3.356 -2.331) 4.450 2.240 ( 0.601 -4.602 0.527) 4.671 2.360 ( -1.985 1.686 -1.355) 2.936 2.380 ( 1.541 0.115 -1.405) 2.088 2.436 ( -3.001 1.734 3.871) 5.196 2.454 ( -2.174 -0.954 0.829) 2.515 2.576 ( 3.108 2.256 1.639) 4.176 2.619 ( 3.275 -1.369 -0.584) 3.598 2.703 ( 0.187 1.998 -1.692) 2.625 2.780 ( -1.492 -4.900 -3.163) 6.020 3.021 ( 4.887 2.928 2.526) 6.232 3.056 ( 3.809 -1.121 0.396) 3.990 3.113 ( 2.818 1.369 -1.253) 3.374 3.134 ( 2.808 0.082 -0.167) 2.814 3.417 ( 0.436 1.383 0.375) 1.497 3.431 ( -1.530 0.462 -1.279) 2.047 3.480 ( 0.768 -0.529 -1.192) 1.514 3.493 ( 1.831 -1.732 -0.421) 2.555 3.676 ( -1.158 1.419 -0.561) 1.916 3.711 ( -2.193 -2.519 0.500) 3.377 3.814 ( 0.961 4.280 2.638) 5.119 3.894 ( 1.486 -3.244 2.150) 4.166 3.949 ( -2.283 1.967 -2.261) 3.767 3.993 ( -0.747 -1.895 -2.772) 3.440 4.230 ( 1.603 1.375 0.659) 2.212 4.270 ( 2.231 -2.046 0.593) 3.085 4.340 ( -1.052 0.354 -0.163) 1.122 4.351 ( -1.433 -0.635 -0.207) 1.581 4.805 ( 0.062 1.490 0.203) 1.505 4.840 ( 0.893 -2.173 0.531) 2.409 6.206 ( -0.509 0.426 -0.130) 0.677 6.219 ( -0.146 -0.881 0.003) 0.893 8.170 ( -0.146 0.042 -0.422) 0.448 8.184 ( 0.174 -1.412 -0.418) 1.483 12.610 ( 0.259 0.733 0.710) 1.053 12.614 ( 0.756 0.110 1.004) 1.262 12.653 ( 1.232 1.129 -0.259) 1.692 12.682 ( 1.172 -1.830 -1.045) 2.411 12.944 ( -2.479 3.270 0.682) 4.160 12.985 ( -1.640 -1.112 0.632) 2.080 13.168 ( 2.121 2.812 -0.637) 3.579 13.192 ( 2.366 0.258 -0.439) 2.420 13.754 ( 0.017 0.822 0.159) 0.837 13.760 ( -0.042 0.166 -0.223) 0.281 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.505 7.315 -3.527) 8.259 0.895 ( -4.208 4.494 2.577) 6.674 0.990 ( -2.167 -0.562 9.289) 9.555 1.065 ( -2.656 -7.954 2.022) 8.626 1.132 ( 2.595 3.349 1.762) 4.588 1.214 ( 3.201 -4.104 0.559) 5.235 1.291 ( -0.982 -0.187 2.351) 2.555 1.314 ( -3.279 -2.015 -0.825) 3.937 1.625 ( -3.334 2.890 -1.860) 4.788 1.669 ( -4.312 -2.415 -0.799) 5.006 1.757 ( -0.151 2.620 -0.710) 2.719 1.807 ( -1.230 -1.949 -2.485) 3.389 1.916 ( 1.832 2.705 -0.173) 3.272 1.976 ( 2.575 -2.759 1.903) 4.226 2.090 ( -0.459 2.014 0.803) 2.217 2.131 ( -1.595 -1.604 1.572) 2.755 2.188 ( 1.416 1.106 -0.156) 1.804 2.247 ( -0.729 -3.822 -0.317) 3.903 2.325 ( 0.065 1.702 -1.391) 2.199 2.369 ( -1.282 -2.540 -2.869) 4.041 2.418 ( -0.074 1.815 -1.389) 2.287 2.446 ( 0.052 1.091 2.420) 2.655 2.624 ( 0.063 2.758 -2.547) 3.755 2.642 ( 2.005 1.634 1.142) 2.827 2.703 ( -1.788 -3.129 0.998) 3.739 2.722 ( 1.488 -2.088 -1.414) 2.928 3.118 ( 3.664 2.965 -1.684) 5.005 3.133 ( 4.066 0.834 -0.841) 4.235 3.159 ( 2.939 3.277 3.738) 5.775 3.194 ( 3.087 -0.137 2.555) 4.010 3.378 ( -2.176 0.644 -1.770) 2.878 3.400 ( -1.047 -1.359 -1.250) 2.122 3.502 ( 2.013 0.110 -0.427) 2.060 3.527 ( 1.773 -1.424 0.630) 2.360 3.636 ( -1.576 1.705 -1.925) 3.017 3.678 ( -1.030 -2.869 -1.616) 3.450 3.863 ( 0.820 3.597 2.080) 4.235 3.874 ( -1.961 3.985 -1.517) 4.694 3.937 ( -0.398 -3.850 -3.511) 5.226 3.954 ( -0.506 -4.288 3.577) 5.607 4.265 ( 1.157 2.391 0.617) 2.727 4.294 ( -0.134 0.290 0.568) 0.651 4.326 ( -1.484 -0.781 0.435) 1.732 4.332 ( 0.706 -1.941 -0.395) 2.103 4.813 ( 0.278 2.141 0.394) 2.195 4.860 ( 0.636 -2.712 0.364) 2.810 6.197 ( -0.462 0.697 -0.059) 0.839 6.216 ( -0.205 -1.238 -0.093) 1.258 8.164 ( -0.070 0.255 -0.118) 0.289 8.183 ( 0.149 -1.690 -0.154) 1.703 12.615 ( 0.494 1.501 -0.283) 1.605 12.633 ( 0.687 -0.430 0.243) 0.846 12.678 ( 0.883 0.610 0.711) 1.287 12.696 ( 0.852 -1.511 0.038) 1.735 12.919 ( -1.775 3.917 1.294) 4.491 12.970 ( -1.375 -1.511 1.162) 2.350 13.190 ( 1.659 3.283 -1.118) 3.845 13.219 ( 1.782 0.092 -0.920) 2.007 13.754 ( 0.108 0.507 -0.288) 0.593 13.757 ( 0.048 0.259 -0.373) 0.456 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.914 6.691 -3.322) 7.526 0.843 ( -4.238 0.373 0.536) 4.288 1.015 ( -5.790 -0.959 7.770) 9.737 1.061 ( -0.491 -7.005 3.717) 7.945 1.170 ( 0.359 4.205 -0.870) 4.309 1.240 ( 1.373 -1.421 -2.197) 2.955 1.285 ( -1.665 -1.224 1.296) 2.439 1.319 ( 0.301 -3.113 3.518) 4.708 1.560 ( -0.859 3.715 -0.902) 3.919 1.623 ( -1.435 -2.711 1.386) 3.366 1.783 ( 1.452 2.527 1.709) 3.379 1.815 ( 0.937 -0.580 1.885) 2.183 1.920 ( -0.169 3.848 -1.058) 3.994 2.003 ( -0.730 -3.867 0.670) 3.992 2.107 ( 1.194 2.064 0.460) 2.428 2.138 ( 0.158 -1.039 0.394) 1.123 2.176 ( -1.697 0.041 -1.763) 2.447 2.213 ( -2.109 -3.413 -0.501) 4.043 2.303 ( 1.631 2.793 -3.718) 4.928 2.339 ( 0.729 0.377 -0.785) 1.136 2.409 ( 1.096 0.527 -1.420) 1.869 2.478 ( 0.692 -3.194 0.355) 3.287 2.586 ( -1.138 3.307 -1.720) 3.898 2.656 ( -0.105 -1.751 -0.862) 1.954 2.706 ( 0.604 1.642 3.062) 3.527 2.780 ( 2.617 -2.485 2.536) 4.411 3.126 ( 0.665 3.186 -2.309) 3.991 3.156 ( 1.472 0.269 -2.431) 2.855 3.239 ( -0.275 2.861 2.934) 4.107 3.252 ( 0.165 1.804 1.811) 2.562 3.348 ( 0.749 1.457 0.201) 1.650 3.388 ( 0.442 -1.893 0.566) 2.025 3.529 ( 1.993 0.085 -0.352) 2.025 3.550 ( 1.194 -0.603 -0.879) 1.601 3.594 ( -1.210 0.955 -1.199) 1.952 3.646 ( 0.105 -3.163 -2.480) 4.020 3.805 ( -1.433 3.354 -3.427) 5.004 3.869 ( -1.131 -3.067 -3.439) 4.744 3.927 ( 0.521 2.290 3.390) 4.124 3.995 ( -0.011 -3.850 3.295) 5.068 4.275 ( 0.023 2.704 -0.257) 2.716 4.299 ( -0.152 0.454 1.093) 1.193 4.318 ( -0.704 -0.659 1.293) 1.613 4.340 ( 0.637 -2.792 -0.495) 2.906 4.817 ( -0.151 2.054 -0.015) 2.060 4.863 ( -0.157 -2.665 -0.669) 2.752 6.192 ( -0.109 0.794 0.195) 0.825 6.212 ( -0.049 -1.241 -0.073) 1.244 8.166 ( 0.129 0.327 0.375) 0.513 8.186 ( 0.187 -1.715 0.168) 1.734 12.621 ( 0.344 1.563 0.008) 1.600 12.642 ( 0.204 -0.639 -0.113) 0.680 12.691 ( -0.033 0.470 0.304) 0.560 12.704 ( 0.169 -1.175 -0.029) 1.188 12.918 ( -0.960 4.127 2.322) 4.832 12.970 ( -0.833 -1.478 2.071) 2.677 13.194 ( 0.966 3.419 -1.886) 4.023 13.225 ( 0.816 0.069 -1.821) 1.996 13.752 ( 0.221 0.370 -0.571) 0.716 13.753 ( 0.106 0.232 -0.490) 0.553 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -2.084 3.999 -0.627) 4.553 0.780 ( -3.216 -1.726 -0.502) 3.684 1.021 ( -3.438 1.172 5.738) 6.791 1.084 ( -2.718 -5.213 1.960) 6.197 1.167 ( 0.687 4.576 1.324) 4.813 1.225 ( 0.377 1.076 -1.789) 2.121 1.286 ( 0.437 -1.246 1.823) 2.251 1.350 ( 0.601 -5.277 2.058) 5.696 1.588 ( 3.160 4.649 1.064) 5.721 1.662 ( 1.786 -2.965 3.945) 5.248 1.805 ( -2.065 4.808 1.174) 5.363 1.853 ( 3.116 0.796 -0.184) 3.222 1.904 ( 0.938 2.354 -1.485) 2.937 1.972 ( -2.679 -4.436 -1.502) 5.396 2.098 ( -1.986 0.374 -0.034) 2.022 2.111 ( -2.545 -0.878 0.632) 2.766 2.153 ( 0.533 -0.294 -0.961) 1.137 2.190 ( 0.917 -3.673 -2.141) 4.349 2.324 ( -0.520 5.088 -1.615) 5.363 2.350 ( 4.937 3.382 1.218) 6.107 2.408 ( -1.960 -2.305 -0.458) 3.060 2.481 ( 1.822 -5.862 -1.426) 6.302 2.547 ( -1.589 5.439 -1.482) 5.857 2.648 ( -0.049 -2.181 -0.269) 2.198 2.751 ( 0.687 2.305 1.857) 3.038 2.845 ( 1.234 -3.899 2.838) 4.978 3.090 ( -2.152 2.926 -1.579) 3.961 3.129 ( -1.306 -1.410 -1.788) 2.625 3.221 ( -2.083 3.765 0.697) 4.358 3.271 ( -1.903 -0.121 2.657) 3.270 3.378 ( 1.651 2.612 -0.014) 3.090 3.405 ( 0.836 0.577 -0.340) 1.071 3.543 ( -1.279 -0.467 0.265) 1.387 3.555 ( 0.058 -1.508 0.369) 1.553 3.586 ( 2.509 1.392 -1.260) 3.133 3.621 ( 0.443 -1.931 -3.022) 3.614 3.763 ( 0.206 2.294 -1.752) 2.894 3.818 ( -0.002 -3.452 -3.506) 4.920 3.972 ( 0.584 2.345 3.001) 3.853 4.025 ( 0.251 -2.538 1.691) 3.060 4.265 ( -0.798 2.207 -0.021) 2.347 4.308 ( -0.390 -1.127 0.206) 1.210 4.329 ( 0.163 -0.328 1.248) 1.301 4.343 ( 0.286 -2.336 0.246) 2.366 4.811 ( -0.351 1.414 0.022) 1.457 4.846 ( -0.395 -2.182 -1.056) 2.457 6.197 ( 0.239 0.644 0.348) 0.770 6.212 ( 0.116 -0.863 -0.134) 0.881 8.175 ( 0.198 0.197 0.624) 0.683 8.191 ( 0.128 -1.428 0.189) 1.446 12.622 ( -0.565 1.110 0.075) 1.248 12.634 ( -0.878 -0.214 -0.330) 0.962 12.688 ( -0.378 0.647 0.264) 0.794 12.707 ( 0.359 -1.411 0.015) 1.456 12.937 ( -0.541 4.122 3.095) 5.183 12.987 ( -0.491 -1.246 2.738) 3.048 13.180 ( 0.413 3.118 -2.517) 4.029 13.206 ( 0.026 0.235 -2.565) 2.576 13.747 ( 0.016 0.496 -0.630) 0.802 13.751 ( 0.324 0.092 -0.567) 0.659 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -4.210 5.132 -1.829) 6.885 0.737 ( -3.257 -5.006 1.800) 6.238 0.982 ( -5.705 4.076 1.422) 7.154 1.062 ( -1.686 -4.422 2.495) 5.350 1.194 ( 0.110 4.568 1.474) 4.801 1.237 ( 2.039 -0.143 0.629) 2.138 1.353 ( 3.640 1.489 3.673) 5.381 1.409 ( 1.672 -3.918 2.926) 5.168 1.654 ( 2.991 5.610 -0.238) 6.362 1.727 ( -1.427 3.833 2.301) 4.692 1.755 ( -0.382 -0.700 -1.258) 1.489 1.852 ( 0.115 -5.013 -3.685) 6.223 1.920 ( -0.644 2.423 0.715) 2.607 1.965 ( 3.972 0.776 0.508) 4.079 2.065 ( -1.362 0.283 -0.475) 1.470 2.105 ( -1.061 -2.566 -0.177) 2.782 2.143 ( 0.951 1.479 -0.280) 1.781 2.206 ( 2.117 -4.109 0.022) 4.623 2.292 ( -0.126 2.768 -2.733) 3.892 2.342 ( -2.464 -1.845 -1.928) 3.632 2.436 ( 1.921 0.752 2.555) 3.284 2.477 ( -2.204 -1.256 -0.644) 2.617 2.509 ( 0.154 5.827 -1.899) 6.131 2.651 ( 0.138 -4.075 0.240) 4.085 2.758 ( -0.715 2.612 -0.125) 2.711 2.871 ( -0.389 -5.517 -0.282) 5.538 3.037 ( -2.732 4.048 0.717) 4.936 3.101 ( -1.570 -2.225 1.179) 2.968 3.198 ( -2.171 2.166 1.343) 3.348 3.245 ( -3.682 -1.606 1.532) 4.300 3.393 ( 0.496 2.721 -0.964) 2.929 3.416 ( 1.659 0.693 -0.525) 1.873 3.527 ( -1.239 1.385 0.586) 1.948 3.553 ( -0.519 -0.611 0.702) 1.066 3.585 ( 0.348 0.792 -3.734) 3.833 3.614 ( 2.060 -2.106 -1.642) 3.373 3.763 ( 0.748 -0.162 -0.357) 0.845 3.783 ( 0.190 -1.866 -3.264) 3.765 4.016 ( 0.942 2.009 2.416) 3.280 4.044 ( 0.537 -0.411 0.369) 0.771 4.258 ( -0.746 0.599 1.047) 1.419 4.288 ( -1.131 -2.030 -0.508) 2.379 4.339 ( -0.109 0.361 0.227) 0.440 4.361 ( 0.717 -1.776 0.886) 2.110 4.810 ( -0.028 0.947 0.433) 1.041 4.838 ( 0.334 -1.840 0.018) 1.871 6.205 ( 0.280 0.262 0.225) 0.445 6.212 ( 0.157 -0.353 -0.273) 0.473 8.184 ( 0.045 -0.112 0.396) 0.414 8.192 ( 0.003 -0.973 -0.138) 0.983 12.601 ( -1.640 0.484 -0.208) 1.722 12.610 ( -1.526 -0.253 -0.317) 1.579 12.692 ( 0.083 1.148 0.782) 1.392 12.717 ( 0.505 -1.434 0.373) 1.566 12.966 ( -0.430 3.904 3.130) 5.022 13.010 ( -0.564 -0.770 2.575) 2.746 13.155 ( 0.224 2.462 -2.471) 3.495 13.173 ( -0.226 0.488 -2.650) 2.704 13.740 ( -0.004 0.895 -0.576) 1.064 13.750 ( 0.356 -0.225 -0.483) 0.640 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -1.058 7.270 1.595) 7.518 0.724 ( -2.512 -6.575 5.038) 8.656 0.921 ( -4.392 8.803 3.255) 10.362 1.086 ( -0.067 -8.453 3.628) 9.199 1.211 ( 1.089 6.789 -0.006) 6.876 1.286 ( 2.351 0.641 0.642) 2.520 1.437 ( 0.280 2.568 2.785) 3.798 1.466 ( 2.948 -1.031 2.333) 3.898 1.622 ( -2.058 5.433 -3.932) 7.015 1.667 ( -3.265 2.707 -1.535) 4.510 1.786 ( 1.153 0.630 -0.150) 1.322 1.833 ( -0.767 -3.085 -0.470) 3.213 1.920 ( 0.588 2.139 -2.636) 3.445 1.997 ( -0.716 -4.608 -0.582) 4.700 2.044 ( -0.680 2.395 -0.045) 2.490 2.068 ( -1.517 0.725 -0.575) 1.777 2.151 ( 0.411 -0.784 -2.266) 2.433 2.203 ( 0.164 -3.885 -1.931) 4.342 2.292 ( 2.268 2.233 0.553) 3.230 2.356 ( 3.162 -4.071 1.022) 5.255 2.439 ( -0.593 3.171 1.616) 3.608 2.483 ( 1.312 -2.759 1.639) 3.467 2.500 ( 0.415 5.258 -0.930) 5.356 2.640 ( -1.943 -6.475 0.364) 6.770 2.750 ( 0.237 3.375 0.244) 3.392 2.831 ( -1.808 -3.119 -2.212) 4.229 3.029 ( -0.804 3.645 1.769) 4.131 3.089 ( -1.320 -1.473 0.215) 1.990 3.171 ( -3.343 0.696 1.366) 3.677 3.202 ( -3.739 -2.224 1.274) 4.533 3.388 ( 0.631 1.455 -0.607) 1.698 3.422 ( -0.214 -1.929 -1.653) 2.549 3.505 ( 0.008 5.015 -1.465) 5.225 3.568 ( 1.681 -1.048 0.040) 1.981 3.579 ( 1.671 0.670 0.298) 1.825 3.614 ( 0.532 -3.287 -1.597) 3.693 3.747 ( -0.834 0.369 -2.214) 2.394 3.768 ( -0.540 -2.173 0.664) 2.336 4.043 ( -0.104 1.234 -0.032) 1.239 4.051 ( 0.507 0.647 0.367) 0.900 4.250 ( -1.174 0.556 0.258) 1.324 4.277 ( -0.743 -2.000 0.709) 2.248 4.339 ( 0.180 1.803 0.031) 1.813 4.377 ( 0.411 -2.220 0.338) 2.283 4.819 ( 0.365 1.294 0.432) 1.412 4.854 ( 0.671 -2.247 0.786) 2.473 6.209 ( 0.105 0.090 -0.154) 0.207 6.212 ( 0.120 -0.272 -0.085) 0.310 8.183 ( -0.183 -0.108 -0.286) 0.356 8.191 ( 0.091 -0.951 -0.183) 0.973 12.572 ( -1.601 0.241 0.020) 1.620 12.581 ( -1.687 -0.536 0.045) 1.771 12.703 ( 0.153 1.334 0.578) 1.462 12.729 ( 0.448 -1.345 0.253) 1.440 12.990 ( -0.490 3.413 2.308) 4.150 13.024 ( -0.683 -0.043 1.549) 1.693 13.136 ( 0.214 1.684 -1.501) 2.266 13.145 ( 0.146 0.687 -1.958) 2.080 13.735 ( 0.095 1.248 -0.298) 1.287 13.751 ( 0.352 -0.472 -0.317) 0.669 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.640 6.784 5.080) 8.499 0.759 ( -3.029 -5.423 7.573) 9.795 0.911 ( -3.322 10.861 5.453) 12.599 1.117 ( -0.619 -10.498 1.573) 10.633 1.233 ( 2.057 7.371 -0.698) 7.685 1.314 ( 1.195 2.143 -1.452) 2.851 1.437 ( -2.576 3.523 -1.289) 4.551 1.479 ( -2.828 1.269 -1.442) 3.419 1.588 ( 3.047 3.122 -1.419) 4.587 1.637 ( 1.689 0.969 0.846) 2.123 1.768 ( -3.317 3.610 -0.533) 4.931 1.793 ( 1.146 4.538 -1.338) 4.868 1.911 ( 0.709 -5.382 -2.548) 5.996 1.929 ( -4.826 -9.256 1.269) 10.515 2.043 ( -0.694 3.342 2.639) 4.314 2.078 ( 2.774 -0.681 1.186) 3.093 2.135 ( 1.097 1.809 -2.649) 3.390 2.214 ( 0.497 -3.171 2.685) 4.185 2.348 ( 2.646 0.758 0.190) 2.759 2.406 ( 2.087 -4.368 0.254) 4.848 2.476 ( 0.720 1.747 1.517) 2.424 2.498 ( -0.713 2.438 1.459) 2.929 2.523 ( 1.850 -0.132 -0.529) 1.929 2.611 ( -1.844 -5.064 0.526) 5.415 2.763 ( 0.433 1.232 -0.357) 1.354 2.782 ( -1.403 -0.013 -1.596) 2.125 3.028 ( -0.532 2.255 -0.235) 2.329 3.065 ( -0.420 -0.843 -1.259) 1.572 3.119 ( -2.947 0.558 -0.813) 3.107 3.148 ( -3.250 -2.170 -0.517) 3.942 3.391 ( 0.048 0.494 -0.374) 0.621 3.406 ( 1.172 -0.809 -1.125) 1.814 3.497 ( 0.375 3.338 -1.042) 3.517 3.572 ( -0.761 -4.108 -1.639) 4.488 3.625 ( 2.803 1.520 0.937) 3.323 3.644 ( 3.501 -0.576 1.836) 3.995 3.710 ( -1.974 1.936 0.420) 2.796 3.759 ( -2.503 -3.410 2.305) 4.818 4.033 ( 0.407 1.406 -1.492) 2.091 4.056 ( -0.020 -0.987 -0.696) 1.208 4.233 ( -0.965 1.782 -0.057) 2.027 4.268 ( -0.888 -1.686 0.088) 1.908 4.345 ( 0.135 2.111 0.280) 2.134 4.384 ( 0.134 -2.040 0.088) 2.047 4.826 ( 0.174 1.478 -0.128) 1.493 4.864 ( -0.038 -2.374 -0.259) 2.388 6.210 ( 0.189 0.030 -0.027) 0.193 6.213 ( -0.021 -0.370 0.068) 0.376 8.177 ( 0.016 0.136 -0.394) 0.417 8.190 ( 0.148 -1.291 -0.312) 1.336 12.554 ( -0.878 0.144 0.491) 1.016 12.561 ( -1.125 -0.647 0.817) 1.533 12.704 ( -0.208 1.457 -0.562) 1.575 12.731 ( 0.050 -1.388 -0.862) 1.635 13.002 ( -0.588 2.747 1.485) 3.178 13.026 ( -0.710 0.348 0.910) 1.206 13.126 ( 0.221 1.507 -0.959) 1.800 13.135 ( 0.690 0.577 -1.207) 1.505 13.737 ( 0.188 1.413 0.126) 1.431 13.755 ( 0.317 -0.507 -0.073) 0.602 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 3.317 0.000 13.711) 14.106 0.826 ( -2.613 0.000 14.026) 14.268 0.917 ( -8.225 0.000 13.507) 15.814 1.023 ( -4.701 0.000 -7.141) 8.550 1.139 ( 1.913 0.000 -4.426) 4.822 1.214 ( 7.826 0.000 -7.913) 11.129 1.417 ( -9.628 0.000 3.972) 10.415 1.488 ( 7.126 0.000 -3.508) 7.942 1.589 ( 0.010 0.000 6.697) 6.697 1.647 ( 1.582 0.000 11.821) 11.926 1.685 ( -0.698 0.000 -5.672) 5.715 1.879 ( 0.286 0.000 -4.713) 4.722 1.881 ( 0.260 0.000 2.055) 2.072 1.960 ( -3.784 0.000 3.894) 5.429 2.036 ( 0.084 0.000 -12.676) 12.676 2.060 ( 0.633 0.000 -2.667) 2.741 2.212 ( -0.405 0.000 -1.140) 1.209 2.228 ( -1.550 0.000 -3.257) 3.607 2.407 ( -1.521 0.000 4.054) 4.330 2.460 ( 1.348 0.000 -0.551) 1.456 2.509 ( -5.383 0.000 2.015) 5.748 2.551 ( 3.993 0.000 -3.032) 5.014 2.640 ( 0.845 0.000 -1.103) 1.390 2.644 ( -0.890 0.000 -1.521) 1.762 2.770 ( 3.595 0.000 3.432) 4.970 2.845 ( -2.300 0.000 -0.420) 2.338 2.845 ( -1.442 0.000 -3.239) 3.545 2.859 ( 3.423 0.000 -2.158) 4.047 3.087 ( 0.885 0.000 2.656) 2.799 3.144 ( -0.744 0.000 -2.677) 2.778 3.371 ( 1.319 0.000 0.742) 1.513 3.404 ( -2.115 0.000 -2.259) 3.094 3.533 ( 0.900 0.000 3.570) 3.682 3.577 ( 1.310 0.000 -0.300) 1.344 3.670 ( -0.299 0.000 1.986) 2.009 3.694 ( -0.638 0.000 0.119) 0.649 3.811 ( 4.582 0.000 2.967) 5.459 3.876 ( -2.557 0.000 -3.109) 4.026 4.044 ( -1.114 0.000 1.516) 1.881 4.076 ( -1.431 0.000 -1.593) 2.141 4.220 ( 0.090 0.000 2.112) 2.114 4.239 ( 1.468 0.000 0.456) 1.537 4.296 ( 1.031 0.000 0.141) 1.041 4.335 ( -1.271 0.000 -3.444) 3.671 4.844 ( -2.332 0.000 0.145) 2.336 4.845 ( 2.645 0.000 0.006) 2.645 6.229 ( 0.728 0.000 1.004) 1.241 6.246 ( -0.863 0.000 -0.506) 1.001 8.231 ( -1.002 0.000 -0.070) 1.005 8.232 ( 1.299 0.000 -0.117) 1.304 12.549 ( 1.831 0.000 0.668) 1.949 12.566 ( -2.212 0.000 -0.842) 2.367 12.615 ( 1.286 0.000 0.275) 1.315 12.618 ( -2.298 0.000 0.001) 2.298 12.922 ( -1.504 0.000 0.400) 1.556 12.936 ( 2.287 0.000 -0.981) 2.489 13.054 ( -1.699 0.000 0.515) 1.776 13.058 ( 1.342 0.000 0.058) 1.343 13.694 ( -0.075 0.000 1.374) 1.376 13.724 ( 0.128 0.000 -1.360) 1.366 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -4.867 0.000 -11.914) 12.870 0.871 ( -4.527 0.000 4.532) 6.406 0.924 ( -6.260 0.000 14.577) 15.864 0.968 ( -0.432 0.000 12.986) 12.993 1.162 ( 5.234 0.000 -7.031) 8.765 1.219 ( 6.453 0.000 -11.373) 13.076 1.323 ( -5.645 0.000 4.560) 7.257 1.558 ( 2.982 0.000 -1.476) 3.327 1.638 ( -0.171 0.000 5.491) 5.493 1.647 ( 2.143 0.000 -3.706) 4.281 1.808 ( -1.996 0.000 11.126) 11.304 1.825 ( 4.122 0.000 -15.771) 16.300 1.871 ( -2.570 0.000 -4.909) 5.541 1.923 ( -2.022 0.000 7.384) 7.656 2.006 ( 2.013 0.000 5.916) 6.249 2.062 ( 3.174 0.000 -1.823) 3.660 2.219 ( 1.953 0.000 0.636) 2.054 2.224 ( 0.880 0.000 2.032) 2.214 2.418 ( -4.328 0.000 2.040) 4.785 2.451 ( -1.443 0.000 2.952) 3.286 2.485 ( 2.851 0.000 -3.700) 4.671 2.552 ( -1.676 0.000 0.703) 1.818 2.610 ( -1.592 0.000 0.836) 1.798 2.649 ( 0.625 0.000 1.192) 1.346 2.754 ( -2.700 0.000 -3.985) 4.814 2.759 ( -5.238 0.000 -2.952) 6.013 2.876 ( 4.001 0.000 2.965) 4.980 2.878 ( 0.564 0.000 -2.021) 2.099 3.095 ( -1.462 0.000 -3.309) 3.618 3.131 ( 1.195 0.000 2.729) 2.979 3.365 ( -0.134 0.000 -0.220) 0.257 3.417 ( 1.795 0.000 1.882) 2.601 3.554 ( -0.887 0.000 0.348) 0.953 3.555 ( -1.020 0.000 -3.756) 3.892 3.683 ( -0.641 0.000 -0.325) 0.718 3.699 ( 1.234 0.000 1.495) 1.939 3.780 ( -3.498 0.000 -3.640) 5.048 3.891 ( 1.799 0.000 0.843) 1.986 4.056 ( -0.646 0.000 0.176) 0.669 4.071 ( 1.150 0.000 2.912) 3.131 4.235 ( 0.153 0.000 -0.115) 0.191 4.244 ( 0.176 0.000 -2.422) 2.429 4.302 ( 1.260 0.000 -1.165) 1.716 4.328 ( 0.934 0.000 2.147) 2.341 4.809 ( -1.789 0.000 0.135) 1.794 4.886 ( 2.443 0.000 -0.376) 2.472 6.224 ( -0.865 0.000 -0.635) 1.074 6.252 ( 0.669 0.000 0.799) 1.042 8.214 ( -0.910 0.000 -0.194) 0.931 8.250 ( 1.198 0.000 -0.179) 1.211 12.527 ( -1.514 0.000 -0.462) 1.583 12.593 ( 1.980 0.000 1.098) 2.264 12.597 ( -0.588 0.000 0.256) 0.641 12.647 ( 1.669 0.000 0.960) 1.925 12.890 ( -2.593 0.000 0.131) 2.597 12.949 ( 0.846 0.000 -1.387) 1.624 13.037 ( -0.925 0.000 0.699) 1.159 13.085 ( 1.757 0.000 -0.099) 1.760 13.711 ( 0.221 0.000 1.322) 1.341 13.713 ( 0.420 0.000 -1.411) 1.472 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.468 0.000 -9.986) 9.997 0.831 ( -7.164 0.000 7.363) 10.273 1.010 ( 2.181 0.000 2.045) 2.990 1.115 ( 3.953 0.000 4.796) 6.215 1.130 ( 0.346 0.000 -0.394) 0.524 1.179 ( 4.115 0.000 -7.962) 8.962 1.324 ( -1.607 0.000 3.034) 3.433 1.512 ( -2.374 0.000 -6.431) 6.855 1.639 ( 2.991 0.000 -3.905) 4.919 1.684 ( -4.361 0.000 7.580) 8.745 1.703 ( 1.581 0.000 -12.589) 12.688 1.837 ( -4.698 0.000 5.344) 7.116 1.849 ( 3.070 0.000 -3.048) 4.326 1.962 ( -4.761 0.000 8.598) 9.829 2.106 ( 3.908 0.000 -1.839) 4.319 2.118 ( 4.310 0.000 3.163) 5.346 2.246 ( -2.558 0.000 2.886) 3.856 2.275 ( 2.459 0.000 1.283) 2.774 2.396 ( -1.716 0.000 4.086) 4.432 2.421 ( -1.538 0.000 -5.795) 5.995 2.452 ( -2.533 0.000 2.205) 3.358 2.581 ( -0.704 0.000 1.842) 1.972 2.622 ( -4.456 0.000 -0.549) 4.490 2.624 ( 0.336 0.000 -0.370) 0.500 2.668 ( -0.124 0.000 -0.140) 0.187 2.700 ( 1.545 0.000 -0.864) 1.770 2.851 ( -1.535 0.000 -0.432) 1.594 2.956 ( 1.710 0.000 1.652) 2.378 3.052 ( 2.208 0.000 -2.606) 3.416 3.183 ( 0.941 0.000 2.770) 2.925 3.385 ( 0.805 0.000 0.937) 1.235 3.448 ( -0.791 0.000 0.573) 0.977 3.484 ( -1.148 0.000 -3.891) 4.057 3.539 ( 0.852 0.000 -1.192) 1.465 3.660 ( -1.377 0.000 -0.902) 1.647 3.708 ( -1.576 0.000 -1.063) 1.901 3.735 ( 2.036 0.000 -0.431) 2.081 3.900 ( -0.556 0.000 0.270) 0.618 4.043 ( -1.324 0.000 0.432) 1.393 4.105 ( -0.310 0.000 -0.320) 0.446 4.223 ( 0.529 0.000 -1.613) 1.698 4.241 ( 1.227 0.000 0.576) 1.355 4.331 ( 2.927 0.000 -0.388) 2.952 4.366 ( -0.060 0.000 3.157) 3.158 4.797 ( -0.624 0.000 1.151) 1.309 4.912 ( 1.617 0.000 -0.988) 1.895 6.205 ( -0.722 0.000 -0.515) 0.887 6.264 ( 0.155 0.000 0.019) 0.157 8.199 ( -0.519 0.000 -0.148) 0.540 8.265 ( 0.969 0.000 -0.404) 1.050 12.510 ( -0.525 0.000 0.434) 0.681 12.594 ( 0.074 0.000 0.104) 0.128 12.637 ( 1.589 0.000 1.012) 1.883 12.684 ( 0.553 0.000 2.023) 2.097 12.846 ( -2.377 0.000 -0.491) 2.428 12.932 ( -0.270 0.000 -2.137) 2.154 13.041 ( 0.012 0.000 1.066) 1.066 13.108 ( 1.472 0.000 -0.574) 1.580 13.707 ( 0.807 0.000 -1.263) 1.499 13.729 ( 0.246 0.000 0.942) 0.974 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 4.719 0.000 -5.560) 7.293 0.799 ( -9.865 0.000 10.383) 14.322 0.993 ( 6.002 0.000 -11.927) 13.352 1.119 ( 9.247 0.000 -12.233) 15.335 1.219 ( 2.250 0.000 5.026) 5.507 1.222 ( -4.485 0.000 3.315) 5.577 1.336 ( -1.437 0.000 6.094) 6.261 1.454 ( 1.550 0.000 -1.317) 2.034 1.570 ( 0.572 0.000 -7.887) 7.908 1.655 ( -10.134 0.000 9.094) 13.616 1.668 ( 5.911 0.000 -5.308) 7.945 1.802 ( -4.946 0.000 2.039) 5.350 1.892 ( 7.121 0.000 -3.557) 7.960 1.951 ( -8.309 0.000 7.925) 11.482 2.139 ( 4.172 0.000 -4.016) 5.791 2.188 ( 0.159 0.000 0.148) 0.218 2.214 ( -1.861 0.000 0.040) 1.861 2.303 ( -0.286 0.000 0.128) 0.314 2.345 ( -0.431 0.000 -4.100) 4.122 2.407 ( -1.949 0.000 2.454) 3.134 2.470 ( 0.273 0.000 5.004) 5.011 2.484 ( -0.744 0.000 -6.666) 6.707 2.619 ( 0.534 0.000 0.718) 0.895 2.648 ( -2.171 0.000 6.255) 6.621 2.690 ( -0.051 0.000 3.057) 3.057 2.720 ( 0.306 0.000 -3.018) 3.034 2.845 ( 0.347 0.000 2.276) 2.302 2.969 ( 0.205 0.000 -0.716) 0.745 3.106 ( 5.139 0.000 -0.845) 5.208 3.217 ( -0.668 0.000 2.591) 2.676 3.374 ( -0.557 0.000 -2.140) 2.212 3.404 ( -2.292 0.000 -2.316) 3.258 3.463 ( -0.234 0.000 0.867) 0.898 3.555 ( 1.759 0.000 -1.294) 2.184 3.632 ( -0.349 0.000 -0.820) 0.892 3.697 ( -0.672 0.000 1.805) 1.926 3.740 ( 0.809 0.000 -3.083) 3.188 3.910 ( 0.729 0.000 1.762) 1.907 4.034 ( -0.546 0.000 1.161) 1.283 4.054 ( -1.702 0.000 -4.179) 4.512 4.226 ( 1.231 0.000 -0.276) 1.262 4.277 ( 0.414 0.000 1.744) 1.793 4.380 ( 2.906 0.000 0.225) 2.914 4.399 ( -0.324 0.000 3.403) 3.418 4.809 ( -0.523 0.000 2.225) 2.286 4.916 ( 0.883 0.000 -1.785) 1.991 6.190 ( -0.438 0.000 -0.307) 0.535 6.256 ( -0.477 0.000 -0.966) 1.078 8.197 ( 0.109 0.000 0.347) 0.364 8.271 ( 0.520 0.000 -0.848) 0.995 12.518 ( 0.138 0.000 1.390) 1.397 12.599 ( 0.480 0.000 -0.228) 0.532 12.665 ( 0.481 0.000 0.988) 1.098 12.707 ( -0.945 0.000 2.937) 3.086 12.805 ( -1.079 0.000 -1.690) 2.005 12.898 ( -0.285 0.000 -2.853) 2.867 13.056 ( 0.119 0.000 1.257) 1.263 13.119 ( 0.903 0.000 -1.011) 1.356 13.710 ( 1.128 0.000 -0.973) 1.489 13.737 ( -0.154 0.000 0.365) 0.396 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 4.649 0.000 -1.588) 4.912 0.721 ( -11.878 0.000 6.946) 13.759 0.989 ( 5.719 0.000 -5.163) 7.705 1.102 ( -5.632 0.000 -0.962) 5.714 1.248 ( 2.247 0.000 -2.897) 3.666 1.256 ( 10.039 0.000 -2.829) 10.430 1.380 ( 3.185 0.000 -7.088) 7.771 1.419 ( -4.870 0.000 10.557) 11.627 1.593 ( -7.483 0.000 6.848) 10.144 1.622 ( 5.288 0.000 -1.223) 5.428 1.700 ( 3.621 0.000 -2.984) 4.692 1.713 ( -6.196 0.000 -1.143) 6.301 1.881 ( -10.604 0.000 8.322) 13.480 1.998 ( 8.942 0.000 -3.852) 9.737 2.112 ( -6.083 0.000 -0.962) 6.159 2.149 ( 4.407 0.000 -6.290) 7.680 2.215 ( -0.624 0.000 1.550) 1.671 2.273 ( -0.384 0.000 -2.415) 2.446 2.348 ( 2.373 0.000 2.972) 3.804 2.405 ( -1.478 0.000 1.599) 2.178 2.444 ( 3.329 0.000 -4.492) 5.591 2.536 ( -1.687 0.000 4.982) 5.260 2.647 ( 0.242 0.000 -4.153) 4.160 2.665 ( 1.654 0.000 1.029) 1.948 2.683 ( -3.433 0.000 6.013) 6.924 2.694 ( -0.719 0.000 -0.353) 0.801 2.894 ( 2.290 0.000 1.603) 2.795 2.954 ( -0.772 0.000 -1.189) 1.418 3.172 ( 3.914 0.000 -0.808) 3.996 3.213 ( -2.871 0.000 1.487) 3.233 3.349 ( -0.887 0.000 -1.809) 2.014 3.354 ( 0.824 0.000 -1.791) 1.972 3.464 ( -0.978 0.000 1.695) 1.957 3.547 ( 0.068 0.000 -2.864) 2.865 3.633 ( 0.484 0.000 0.191) 0.520 3.704 ( -0.069 0.000 -3.440) 3.441 3.729 ( 0.759 0.000 4.149) 4.217 3.915 ( -1.681 0.000 -3.153) 3.573 4.015 ( 1.972 0.000 -0.190) 1.981 4.045 ( -0.597 0.000 1.347) 1.474 4.254 ( 2.050 0.000 0.079) 2.051 4.279 ( -1.625 0.000 0.595) 1.731 4.425 ( 1.877 0.000 0.805) 2.042 4.430 ( -0.526 0.000 2.705) 2.755 4.826 ( -0.765 0.000 2.627) 2.736 4.903 ( 0.560 0.000 -2.417) 2.481 6.187 ( 0.191 0.000 0.260) 0.322 6.230 ( -0.770 0.000 -1.511) 1.696 8.210 ( 0.465 0.000 1.064) 1.161 8.262 ( -0.049 0.000 -1.365) 1.366 12.541 ( 0.189 0.000 1.977) 1.986 12.600 ( 0.351 0.000 -1.066) 1.122 12.680 ( -0.300 0.000 1.800) 1.825 12.726 ( -1.195 0.000 3.098) 3.320 12.774 ( 0.202 0.000 -1.932) 1.943 12.860 ( 0.174 0.000 -3.663) 3.667 13.072 ( -0.108 0.000 1.459) 1.463 13.115 ( 0.300 0.000 -1.258) 1.293 13.721 ( 1.201 0.000 -0.597) 1.341 13.731 ( -0.795 0.000 -0.030) 0.796 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -10.451 0.000 4.337) 11.315 0.723 ( 2.038 0.000 4.469) 4.912 1.001 ( -2.398 0.000 -2.708) 3.617 1.056 ( 4.014 0.000 1.586) 4.316 1.249 ( 0.210 0.000 -4.112) 4.117 1.250 ( -4.736 0.000 1.047) 4.851 1.310 ( -8.454 0.000 -1.975) 8.682 1.545 ( 11.326 0.000 -1.290) 11.400 1.574 ( -3.789 0.000 3.223) 4.974 1.610 ( -8.716 0.000 5.464) 10.287 1.670 ( 4.251 0.000 -2.575) 4.970 1.738 ( 6.832 0.000 -2.194) 7.176 1.832 ( -7.845 0.000 8.783) 11.777 2.025 ( -4.727 0.000 3.554) 5.914 2.044 ( 4.840 0.000 -6.181) 7.851 2.149 ( 3.494 0.000 -4.424) 5.637 2.230 ( -0.422 0.000 2.431) 2.467 2.250 ( -0.126 0.000 -1.338) 1.344 2.387 ( -2.471 0.000 0.823) 2.605 2.449 ( -5.491 0.000 -4.539) 7.124 2.461 ( 3.489 0.000 -3.163) 4.709 2.492 ( 5.666 0.000 6.834) 8.877 2.631 ( -3.723 0.000 -0.439) 3.748 2.644 ( -0.728 0.000 2.741) 2.836 2.700 ( 0.570 0.000 -1.757) 1.847 2.754 ( 6.166 0.000 0.267) 6.171 2.920 ( -1.627 0.000 -1.156) 1.996 2.944 ( 2.173 0.000 0.167) 2.179 3.163 ( -3.969 0.000 0.075) 3.970 3.222 ( 2.773 0.000 0.393) 2.801 3.335 ( 0.193 0.000 -0.265) 0.328 3.349 ( 0.825 0.000 -1.505) 1.716 3.486 ( 0.485 0.000 2.507) 2.554 3.505 ( -0.830 0.000 -2.502) 2.636 3.646 ( -0.082 0.000 1.759) 1.761 3.666 ( -0.527 0.000 -2.599) 2.652 3.817 ( 3.290 0.000 5.042) 6.020 3.831 ( -1.300 0.000 -5.312) 5.469 4.028 ( -2.317 0.000 -0.356) 2.344 4.056 ( 1.294 0.000 0.510) 1.391 4.249 ( -2.281 0.000 0.271) 2.297 4.287 ( 1.970 0.000 -0.166) 1.977 4.432 ( -1.718 0.000 0.767) 1.882 4.454 ( 0.610 0.000 0.335) 0.696 4.846 ( -0.586 0.000 2.851) 2.910 4.884 ( 0.672 0.000 -2.673) 2.756 6.203 ( 0.792 0.000 0.967) 1.249 6.203 ( -0.515 0.000 -1.247) 1.349 8.232 ( 0.341 0.000 1.381) 1.423 8.240 ( -0.505 0.000 -1.642) 1.718 12.565 ( -0.072 0.000 2.017) 2.019 12.583 ( -0.294 0.000 -1.847) 1.870 12.703 ( -0.255 0.000 3.081) 3.092 12.715 ( -1.407 0.000 -0.588) 1.525 12.792 ( 1.431 0.000 1.929) 2.402 12.822 ( 0.837 0.000 -4.328) 4.409 13.084 ( -0.513 0.000 1.597) 1.678 13.101 ( -0.207 0.000 -1.300) 1.316 13.714 ( -1.248 0.000 0.018) 1.248 13.734 ( 0.978 0.000 -0.288) 1.019 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -6.064 0.000 5.292) 8.048 0.741 ( -9.632 0.000 10.444) 14.208 0.924 ( -17.512 0.000 0.915) 17.536 1.005 ( 8.334 0.000 -6.525) 10.585 1.226 ( 0.718 0.000 -1.636) 1.787 1.237 ( -2.872 0.000 14.352) 14.637 1.294 ( 4.793 0.000 -3.988) 6.235 1.540 ( 0.199 0.000 -7.987) 7.989 1.540 ( -5.388 0.000 4.962) 7.324 1.548 ( -5.751 0.000 3.421) 6.691 1.762 ( -11.557 0.000 7.560) 13.810 1.790 ( 6.160 0.000 1.983) 6.471 1.849 ( 11.434 0.000 -7.419) 13.630 2.033 ( -1.410 0.000 3.737) 3.995 2.063 ( 3.957 0.000 -2.132) 4.495 2.169 ( 1.553 0.000 0.308) 1.583 2.226 ( -0.970 0.000 -1.318) 1.637 2.260 ( 0.785 0.000 3.210) 3.305 2.338 ( -1.338 0.000 -0.150) 1.347 2.376 ( -1.267 0.000 0.307) 1.304 2.475 ( 3.016 0.000 -3.108) 4.331 2.541 ( -3.442 0.000 0.320) 3.457 2.662 ( 4.564 0.000 -1.193) 4.717 2.662 ( -0.394 0.000 2.431) 2.463 2.677 ( 1.751 0.000 -1.872) 2.563 2.826 ( 4.082 0.000 -4.415) 6.013 2.881 ( -1.368 0.000 -1.159) 1.793 2.959 ( 0.334 0.000 -0.787) 0.855 3.094 ( -4.329 0.000 0.092) 4.330 3.259 ( 0.891 0.000 -0.544) 1.044 3.341 ( 0.457 0.000 0.523) 0.695 3.364 ( 2.360 0.000 0.687) 2.458 3.480 ( -0.271 0.000 -0.508) 0.576 3.518 ( 0.028 0.000 1.722) 1.722 3.630 ( -0.760 0.000 -1.134) 1.365 3.672 ( -0.247 0.000 2.946) 2.956 3.765 ( -0.188 0.000 -4.391) 4.395 3.930 ( 3.675 0.000 2.541) 4.469 3.978 ( -1.789 0.000 0.400) 1.833 4.058 ( -0.334 0.000 -0.744) 0.815 4.219 ( -1.785 0.000 0.503) 1.854 4.305 ( 0.533 0.000 -0.851) 1.004 4.395 ( -2.708 0.000 -0.688) 2.794 4.451 ( -0.274 0.000 -1.127) 1.160 4.865 ( 0.671 0.000 -2.855) 2.933 4.868 ( -0.588 0.000 2.636) 2.701 6.189 ( 0.047 0.000 -0.398) 0.401 6.230 ( 0.891 0.000 1.252) 1.537 8.213 ( -0.614 0.000 -1.263) 1.404 8.249 ( -0.100 0.000 1.167) 1.171 12.554 ( -0.605 0.000 -1.826) 1.924 12.582 ( -0.287 0.000 1.402) 1.431 12.685 ( -1.323 0.000 -0.702) 1.497 12.743 ( 0.472 0.000 3.637) 3.668 12.791 ( 1.363 0.000 -4.287) 4.498 12.842 ( 1.660 0.000 2.164) 2.728 13.081 ( -0.547 0.000 -1.122) 1.248 13.090 ( -1.053 0.000 1.596) 1.912 13.695 ( -1.258 0.000 0.397) 1.320 13.744 ( 0.571 0.000 -0.270) 0.632 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -7.805 0.000 5.652) 9.636 0.707 ( -10.563 0.000 14.280) 17.763 0.814 ( -9.228 0.000 17.231) 19.546 1.073 ( 9.165 0.000 -7.211) 11.662 1.212 ( -0.751 0.000 -2.076) 2.208 1.256 ( -8.385 0.000 11.295) 14.067 1.358 ( -2.575 0.000 -3.049) 3.991 1.461 ( 2.669 0.000 -8.359) 8.775 1.500 ( 3.155 0.000 3.488) 4.703 1.561 ( -1.539 0.000 6.821) 6.992 1.727 ( -3.212 0.000 9.421) 9.954 1.837 ( 1.144 0.000 -3.778) 3.947 1.929 ( 7.498 0.000 -6.336) 9.816 2.043 ( -1.806 0.000 3.033) 3.530 2.099 ( 2.823 0.000 -2.782) 3.964 2.149 ( -2.757 0.000 -1.010) 2.936 2.263 ( 4.350 0.000 1.918) 4.754 2.307 ( -1.088 0.000 2.106) 2.370 2.330 ( 0.915 0.000 -0.620) 1.105 2.433 ( 2.489 0.000 8.271) 8.637 2.479 ( 0.850 0.000 -3.787) 3.881 2.505 ( 1.289 0.000 -1.448) 1.939 2.640 ( 0.617 0.000 -2.868) 2.933 2.692 ( 1.895 0.000 0.752) 2.039 2.718 ( 1.153 0.000 -2.230) 2.510 2.758 ( -1.828 0.000 -9.170) 9.350 2.859 ( 0.142 0.000 -0.491) 0.511 2.964 ( 0.487 0.000 0.775) 0.915 3.030 ( -3.424 0.000 -0.263) 3.434 3.239 ( -0.981 0.000 -2.049) 2.272 3.368 ( 1.046 0.000 1.833) 2.111 3.432 ( 3.423 0.000 1.539) 3.753 3.456 ( -1.890 0.000 -0.899) 2.093 3.519 ( -1.212 0.000 0.521) 1.319 3.632 ( 0.610 0.000 1.379) 1.508 3.695 ( -1.058 0.000 2.811) 3.004 3.721 ( -0.264 0.000 -2.431) 2.446 3.929 ( 0.559 0.000 -2.035) 2.110 4.052 ( 0.700 0.000 -0.347) 0.782 4.054 ( 3.271 0.000 3.734) 4.964 4.203 ( -1.077 0.000 0.591) 1.228 4.275 ( -2.166 0.000 -1.966) 2.925 4.338 ( -2.786 0.000 -0.979) 2.953 4.427 ( -0.158 0.000 -2.210) 2.215 4.835 ( -0.352 0.000 -2.684) 2.707 4.881 ( -1.066 0.000 1.882) 2.163 6.194 ( 0.463 0.000 0.375) 0.596 6.254 ( 0.381 0.000 0.859) 0.940 8.198 ( 0.015 0.000 -0.115) 0.116 8.254 ( -0.582 0.000 0.680) 0.895 12.528 ( -0.220 0.000 -1.205) 1.225 12.589 ( -0.099 0.000 0.653) 0.661 12.654 ( -1.761 0.000 -0.537) 1.841 12.746 ( -0.642 0.000 -3.619) 3.675 12.819 ( 3.328 0.000 2.351) 4.075 12.891 ( 1.472 0.000 1.671) 2.227 13.060 ( -0.600 0.000 -0.792) 0.993 13.086 ( -1.517 0.000 1.447) 2.096 13.684 ( -0.920 0.000 0.837) 1.244 13.745 ( 0.191 0.000 -0.605) 0.634 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 2.254 0.000 15.326) 15.491 0.734 ( -6.990 0.000 15.550) 17.049 0.875 ( -8.725 0.000 17.373) 19.440 1.136 ( 2.487 0.000 -5.028) 5.609 1.156 ( 4.425 0.000 -5.910) 7.383 1.203 ( -2.711 0.000 -3.984) 4.818 1.378 ( -2.829 0.000 18.378) 18.595 1.444 ( 5.125 0.000 -6.282) 8.107 1.532 ( -4.402 0.000 1.844) 4.772 1.611 ( 0.561 0.000 1.356) 1.467 1.775 ( -1.065 0.000 -6.274) 6.364 1.836 ( 4.212 0.000 2.102) 4.707 1.930 ( 0.726 0.000 -4.622) 4.678 2.020 ( -4.590 0.000 0.830) 4.664 2.084 ( -0.485 0.000 -2.014) 2.072 2.117 ( 2.975 0.000 -6.549) 7.193 2.256 ( -2.319 0.000 -2.167) 3.174 2.298 ( -0.133 0.000 -3.635) 3.637 2.384 ( -0.471 0.000 4.686) 4.709 2.460 ( 0.772 0.000 -1.469) 1.660 2.522 ( 3.582 0.000 -2.946) 4.638 2.539 ( -2.287 0.000 4.720) 5.245 2.634 ( 1.248 0.000 -1.559) 1.997 2.659 ( 0.589 0.000 -2.081) 2.162 2.701 ( 1.319 0.000 -0.303) 1.353 2.754 ( 6.995 0.000 -1.126) 7.085 2.862 ( 0.077 0.000 -0.130) 0.151 2.939 ( -2.889 0.000 -2.855) 4.061 3.028 ( 1.961 0.000 2.757) 3.383 3.192 ( -1.282 0.000 -2.681) 2.972 3.373 ( -1.323 0.000 -0.566) 1.439 3.458 ( -0.962 0.000 -1.709) 1.961 3.462 ( 1.291 0.000 4.021) 4.223 3.534 ( 2.037 0.000 1.819) 2.731 3.658 ( -0.313 0.000 1.807) 1.834 3.700 ( -1.160 0.000 1.448) 1.855 3.721 ( 1.923 0.000 1.566) 2.480 3.919 ( 0.286 0.000 -1.797) 1.820 4.057 ( -0.498 0.000 -0.181) 0.530 4.116 ( 0.616 0.000 -0.629) 0.880 4.199 ( -0.413 0.000 1.412) 1.471 4.220 ( -1.363 0.000 0.119) 1.369 4.296 ( -1.059 0.000 -0.284) 1.097 4.391 ( -0.680 0.000 -3.152) 3.224 4.814 ( 0.727 0.000 -0.384) 0.822 4.874 ( -1.851 0.000 0.887) 2.053 6.209 ( 0.525 0.000 0.739) 0.907 6.259 ( -0.384 0.000 0.087) 0.393 8.211 ( 1.154 0.000 0.205) 1.172 8.246 ( -0.898 0.000 0.218) 0.924 12.524 ( 0.810 0.000 -0.208) 0.836 12.597 ( 0.345 0.000 0.293) 0.453 12.614 ( -2.098 0.000 -0.796) 2.244 12.676 ( -3.162 0.000 -2.094) 3.793 12.895 ( 3.785 0.000 -0.168) 3.789 12.923 ( 0.389 0.000 1.029) 1.100 13.047 ( 0.063 0.000 -0.341) 0.347 13.074 ( -1.694 0.000 0.959) 1.947 13.684 ( -0.478 0.000 1.183) 1.276 13.737 ( 0.028 0.000 -1.062) 1.062 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.210 0.095 12.262) 12.965 0.823 ( -3.197 0.004 13.999) 14.360 0.953 ( -7.792 2.635 11.250) 13.936 0.988 ( -3.025 -1.997 -5.337) 6.452 1.140 ( -0.644 -0.473 -8.364) 8.402 1.217 ( 8.131 0.944 -7.807) 11.312 1.404 ( -9.162 -1.348 4.271) 10.198 1.477 ( 6.519 -1.544 -2.088) 7.017 1.639 ( -0.526 2.160 0.950) 2.417 1.678 ( 1.506 4.719 8.625) 9.946 1.711 ( 0.175 2.372 1.294) 2.708 1.880 ( -0.061 -0.135 -4.187) 4.189 1.898 ( -0.907 1.738 1.969) 2.779 1.953 ( -3.296 0.038 1.422) 3.590 2.026 ( 3.003 -1.803 -1.891) 3.980 2.050 ( 0.197 0.440 -5.866) 5.886 2.221 ( -0.537 0.791 -0.687) 1.177 2.239 ( -0.870 1.007 -2.076) 2.466 2.393 ( -0.245 -0.827 3.808) 3.905 2.441 ( -2.913 -0.894 -0.281) 3.061 2.501 ( -0.937 -1.227 1.225) 1.970 2.544 ( 2.135 -1.061 -2.572) 3.507 2.621 ( -0.930 -2.092 -0.666) 2.384 2.624 ( 0.964 -1.738 -1.394) 2.428 2.765 ( 4.259 -0.241 3.072) 5.257 2.814 ( -3.133 -2.317 0.179) 3.900 2.885 ( -2.941 3.484 -2.422) 5.163 2.921 ( 4.524 4.953 -4.768) 8.230 3.071 ( 0.423 -1.665 2.104) 2.717 3.119 ( -0.034 -2.346 -2.463) 3.402 3.378 ( 0.426 0.480 1.016) 1.202 3.417 ( -1.639 1.193 -2.672) 3.354 3.527 ( 0.369 -1.282 2.354) 2.706 3.548 ( 1.376 -2.967 0.551) 3.316 3.638 ( 2.147 -1.401 2.739) 3.752 3.696 ( -2.583 0.219 -1.645) 3.070 3.819 ( 3.516 0.582 3.466) 4.971 3.885 ( -1.558 0.520 -2.574) 3.054 4.004 ( -0.205 -2.673 1.485) 3.065 4.036 ( -1.801 -2.881 -1.686) 3.794 4.239 ( 1.404 0.213 0.644) 1.559 4.246 ( -0.395 0.700 0.319) 0.865 4.312 ( 0.496 1.740 1.522) 2.364 4.362 ( -0.852 1.752 -2.813) 3.422 4.833 ( 0.680 -0.778 0.476) 1.138 4.847 ( -0.604 -0.184 -0.899) 1.098 6.228 ( 0.683 -0.168 0.783) 1.053 6.240 ( -0.772 -0.565 -0.339) 1.015 8.214 ( 0.214 -1.274 0.569) 1.411 8.229 ( 0.070 -0.850 -0.858) 1.210 12.560 ( 1.540 0.990 0.888) 2.035 12.583 ( -1.881 1.473 -1.224) 2.684 12.620 ( -0.732 0.652 1.266) 1.601 12.646 ( -0.063 2.037 -1.251) 2.392 12.931 ( -0.743 1.378 0.851) 1.782 12.951 ( 1.141 1.675 -0.968) 2.246 13.055 ( -1.335 0.456 0.766) 1.605 13.070 ( 1.277 1.007 -0.618) 1.740 13.704 ( -0.066 1.043 1.259) 1.636 13.731 ( 0.138 0.696 -1.170) 1.368 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -5.208 -1.016 -10.340) 11.622 0.869 ( -2.353 -0.407 5.394) 5.899 0.942 ( -3.961 1.300 10.908) 11.678 0.984 ( -3.969 2.222 11.716) 12.568 1.114 ( 6.618 -3.490 -4.959) 8.976 1.240 ( 6.229 1.747 -10.324) 12.184 1.326 ( -5.117 -0.590 4.297) 6.708 1.545 ( 2.469 -1.791 -1.521) 3.408 1.656 ( -0.984 2.394 2.250) 3.429 1.683 ( 2.280 2.629 0.176) 3.484 1.808 ( 1.409 -1.043 -5.430) 5.706 1.826 ( -1.432 0.259 4.089) 4.341 1.892 ( -2.603 1.413 -2.703) 4.010 1.933 ( 0.058 2.443 3.134) 3.974 2.004 ( 0.114 1.416 0.023) 1.420 2.078 ( 4.548 -0.406 -0.720) 4.622 2.207 ( -0.458 0.399 1.105) 1.261 2.258 ( 2.540 1.975 0.770) 3.308 2.384 ( -2.826 -1.636 0.378) 3.287 2.425 ( -2.913 -1.915 5.309) 6.351 2.491 ( -1.255 -0.985 -2.993) 3.392 2.540 ( 0.847 -0.899 0.793) 1.468 2.597 ( -0.605 -1.901 0.075) 1.996 2.631 ( 0.289 -1.630 -0.018) 1.655 2.733 ( -3.558 -2.073 -2.592) 4.866 2.798 ( -4.490 4.180 -1.158) 6.243 2.871 ( 3.513 0.466 0.870) 3.649 2.933 ( 1.975 3.993 -0.920) 4.549 3.084 ( -0.707 -1.067 -2.648) 2.941 3.110 ( 1.539 -1.927 1.769) 3.035 3.382 ( 0.396 1.265 0.194) 1.340 3.423 ( 1.543 0.554 1.770) 2.413 3.534 ( -0.549 -2.160 -0.333) 2.254 3.552 ( 0.239 -1.226 -2.562) 2.850 3.630 ( -1.896 -2.319 -2.010) 3.607 3.715 ( 2.451 0.624 2.814) 3.784 3.800 ( -3.299 1.747 -3.622) 5.201 3.879 ( 0.232 -1.157 0.836) 1.446 4.014 ( 0.343 -2.340 0.025) 2.365 4.047 ( 1.667 -2.681 2.463) 4.004 4.238 ( 0.086 -0.248 -1.038) 1.071 4.261 ( 0.475 1.206 -0.281) 1.327 4.315 ( 0.049 1.337 -0.951) 1.641 4.353 ( 0.564 1.755 1.468) 2.357 4.805 ( -1.657 -0.343 0.015) 1.693 4.879 ( 2.364 -0.793 0.036) 2.493 6.221 ( -0.846 -0.291 -0.480) 1.015 6.247 ( 0.598 -0.519 0.581) 0.982 8.205 ( -0.829 -0.895 -0.252) 1.246 8.237 ( 1.030 -1.335 -0.111) 1.690 12.545 ( -1.247 1.712 -0.711) 2.234 12.600 ( 1.375 0.660 1.191) 1.935 12.614 ( -0.279 1.459 0.669) 1.629 12.666 ( 2.083 1.398 0.462) 2.551 12.895 ( -3.268 1.034 0.106) 3.429 12.966 ( 0.965 1.764 -0.836) 2.178 13.044 ( -0.820 0.862 0.744) 1.403 13.094 ( 2.175 0.930 -0.574) 2.434 13.718 ( 0.110 0.757 0.410) 0.868 13.722 ( 0.349 0.871 -0.532) 1.079 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.100 0.018 -8.572) 8.573 0.862 ( -5.131 2.772 6.166) 8.487 1.019 ( 0.384 1.404 4.488) 4.718 1.073 ( 3.173 -4.042 4.078) 6.560 1.169 ( 3.551 3.091 0.802) 4.776 1.194 ( 3.562 2.182 -9.461) 10.342 1.320 ( -2.208 0.157 3.970) 4.546 1.498 ( -3.427 -3.052 -4.015) 6.097 1.665 ( -1.613 -0.234 2.651) 3.112 1.682 ( -1.856 2.742 -3.600) 4.891 1.747 ( 3.610 3.406 -9.008) 10.285 1.826 ( -2.965 0.156 0.998) 3.132 1.862 ( -0.482 -0.167 1.684) 1.760 1.947 ( -2.924 0.397 4.582) 5.450 2.055 ( 2.686 -2.750 2.506) 4.589 2.148 ( 5.385 -2.160 -1.870) 6.096 2.208 ( -0.856 -1.287 0.832) 1.756 2.304 ( 0.151 0.161 1.335) 1.353 2.355 ( -0.701 0.340 -0.612) 0.991 2.406 ( -3.875 -3.065 -0.912) 5.024 2.441 ( -2.065 0.340 3.378) 3.973 2.535 ( -2.395 -3.785 -1.856) 4.849 2.618 ( -0.204 -3.294 -2.230) 3.983 2.623 ( 1.927 1.631 2.185) 3.339 2.691 ( 0.649 0.044 0.839) 1.062 2.739 ( -2.229 4.846 1.360) 5.505 2.883 ( -0.449 3.242 0.046) 3.273 2.984 ( 1.468 2.790 1.389) 3.446 3.055 ( 2.409 0.423 -1.967) 3.138 3.165 ( 1.397 -1.321 2.499) 3.153 3.413 ( 1.650 1.534 1.438) 2.673 3.442 ( -1.254 -0.166 0.045) 1.266 3.486 ( -1.751 -0.241 -4.169) 4.528 3.537 ( 1.897 -0.271 -1.209) 2.266 3.605 ( -0.038 -3.403 -0.362) 3.422 3.720 ( -1.826 1.682 -2.159) 3.290 3.765 ( 1.218 1.204 -0.524) 1.791 3.878 ( -0.920 -1.812 1.719) 2.662 4.015 ( -0.041 -2.180 -0.577) 2.255 4.085 ( -0.161 -1.857 0.442) 1.915 4.231 ( 0.823 -0.085 -0.917) 1.236 4.261 ( 0.025 2.121 0.737) 2.246 4.332 ( 2.588 -0.028 -0.551) 2.646 4.376 ( -0.633 0.554 2.441) 2.582 4.793 ( -0.522 -0.255 0.934) 1.100 4.909 ( 1.482 -0.419 -0.393) 1.590 6.203 ( -0.750 -0.137 -0.367) 0.846 6.257 ( 0.159 -0.777 -0.072) 0.797 8.191 ( -0.454 -0.806 -0.162) 0.940 8.251 ( 0.773 -1.505 -0.231) 1.707 12.529 ( -0.288 1.892 0.209) 1.925 12.611 ( 0.190 1.315 0.234) 1.349 12.645 ( 1.215 0.894 1.251) 1.960 12.710 ( 1.683 1.646 1.544) 2.816 12.838 ( -3.306 0.386 -0.294) 3.342 12.959 ( 0.008 2.463 -1.740) 3.016 13.046 ( -0.338 0.705 1.109) 1.357 13.121 ( 2.011 1.282 -0.933) 2.561 13.714 ( 0.610 0.690 -1.140) 1.466 13.733 ( 0.171 0.473 0.731) 0.887 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 3.885 -0.216 -4.205) 5.729 0.839 ( -8.674 3.809 8.689) 12.855 1.031 ( 5.856 3.314 -8.722) 11.016 1.127 ( 1.956 -1.599 -1.800) 3.102 1.169 ( 6.229 -0.282 -7.548) 9.790 1.265 ( -1.047 2.406 5.676) 6.253 1.343 ( -1.419 1.118 6.240) 6.496 1.416 ( -2.320 -4.949 -2.019) 5.827 1.590 ( 0.174 2.979 -1.879) 3.526 1.669 ( -3.237 0.054 4.227) 5.325 1.694 ( -2.217 3.653 -2.250) 4.829 1.805 ( -0.272 -0.154 -0.916) 0.968 1.892 ( 5.065 -1.025 -3.069) 6.010 1.935 ( -5.581 -0.621 4.982) 7.507 2.111 ( 2.633 -1.997 -0.455) 3.336 2.186 ( 2.100 -3.626 -3.176) 5.258 2.204 ( 0.869 -0.338 -1.600) 1.851 2.264 ( -3.178 -2.503 -1.587) 4.345 2.332 ( -3.908 -0.989 1.705) 4.377 2.353 ( 0.128 0.026 -2.381) 2.384 2.448 ( -1.808 -2.058 1.878) 3.321 2.492 ( 0.663 -1.429 -0.982) 1.856 2.605 ( 0.419 -2.309 1.342) 2.703 2.670 ( 0.647 2.027 0.566) 2.201 2.708 ( -0.878 0.053 0.415) 0.972 2.760 ( 1.872 3.531 2.587) 4.760 2.890 ( -1.137 5.102 3.472) 6.275 3.008 ( 1.081 3.685 0.715) 3.907 3.110 ( 4.472 0.893 -0.265) 4.568 3.202 ( -0.040 -0.868 2.024) 2.202 3.395 ( -2.176 0.339 -2.315) 3.195 3.411 ( -1.142 0.536 -3.310) 3.542 3.462 ( 0.570 0.598 1.819) 1.998 3.558 ( 1.920 -1.237 -1.163) 2.563 3.606 ( 0.406 -0.686 -0.582) 0.987 3.691 ( -0.432 0.741 0.696) 1.105 3.743 ( -0.630 -1.159 -3.641) 3.873 3.901 ( 0.343 -0.561 2.311) 2.402 4.004 ( -0.331 -2.687 -0.879) 2.846 4.056 ( -1.141 0.203 -1.737) 2.088 4.246 ( 1.214 1.251 0.410) 1.791 4.279 ( 0.086 0.296 1.417) 1.450 4.371 ( 2.219 -0.812 0.258) 2.377 4.396 ( -0.369 -0.488 2.829) 2.894 4.803 ( -0.283 -0.429 1.682) 1.759 4.915 ( 0.447 -0.283 -1.317) 1.419 6.190 ( -0.467 0.006 -0.129) 0.484 6.250 ( -0.358 -0.667 -0.850) 1.139 8.189 ( 0.100 -0.723 0.394) 0.829 8.256 ( 0.422 -1.529 -0.638) 1.710 12.538 ( 0.306 1.947 1.129) 2.272 12.618 ( 0.501 1.509 -0.279) 1.614 12.671 ( 0.267 0.750 1.279) 1.506 12.747 ( 0.323 2.264 1.844) 2.938 12.789 ( -2.033 0.178 -0.392) 2.078 12.932 ( 0.032 3.226 -2.763) 4.247 13.056 ( -0.178 0.296 1.371) 1.414 13.134 ( 1.214 1.476 -1.440) 2.393 13.715 ( 0.932 0.467 -0.908) 1.382 13.739 ( -0.160 0.208 0.241) 0.356 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.288 1.293 0.964) 4.581 0.767 ( -8.880 4.056 4.527) 10.761 1.036 ( 1.873 4.351 -2.733) 5.469 1.110 ( -2.933 0.863 0.169) 3.062 1.216 ( 5.440 -2.491 -4.780) 7.658 1.262 ( 1.830 -0.398 -1.281) 2.269 1.362 ( 4.207 -2.430 -2.647) 5.533 1.424 ( -2.355 0.825 6.970) 7.404 1.595 ( -7.942 0.198 6.501) 10.265 1.643 ( 2.294 1.327 -2.892) 3.923 1.692 ( 2.373 1.681 0.274) 2.920 1.753 ( -3.304 2.873 -3.393) 5.539 1.881 ( -7.569 -0.671 6.397) 9.932 1.965 ( 5.939 -2.827 -3.863) 7.628 2.122 ( 0.243 0.646 -1.885) 2.007 2.161 ( -0.301 0.738 -4.948) 5.012 2.195 ( -0.503 -1.369 1.177) 1.874 2.224 ( 1.747 -2.910 0.099) 3.396 2.322 ( 0.926 -5.880 0.598) 5.982 2.346 ( 0.993 0.549 0.757) 1.364 2.408 ( -0.815 -3.798 -2.212) 4.470 2.532 ( -0.607 -1.337 2.257) 2.693 2.613 ( -0.856 -2.100 -4.635) 5.160 2.633 ( 0.292 -1.606 0.694) 1.774 2.733 ( -1.826 4.541 5.260) 7.185 2.809 ( 2.171 6.174 -0.420) 6.558 2.929 ( 1.089 3.806 4.152) 5.737 3.029 ( -0.243 6.150 0.585) 6.183 3.176 ( 3.681 0.851 -0.089) 3.779 3.209 ( -1.629 -0.166 1.501) 2.222 3.339 ( -1.222 -0.110 -1.932) 2.289 3.358 ( -0.643 -0.553 -3.155) 3.267 3.482 ( -0.189 1.917 1.789) 2.629 3.569 ( 0.785 0.876 -2.113) 2.418 3.601 ( 0.754 -1.626 -0.661) 1.910 3.682 ( -1.402 -2.678 -3.575) 4.681 3.725 ( 1.457 -0.152 3.615) 3.900 3.896 ( -1.465 -1.644 -2.857) 3.607 3.999 ( 0.588 -1.537 0.964) 1.907 4.040 ( 0.044 0.005 -0.226) 0.230 4.272 ( 0.790 1.112 0.622) 1.499 4.287 ( -0.226 0.836 0.727) 1.131 4.408 ( 0.689 -1.817 1.697) 2.580 4.421 ( 0.258 -1.019 1.305) 1.676 4.819 ( -0.400 -0.547 2.197) 2.299 4.897 ( -0.011 -0.714 -2.258) 2.368 6.188 ( 0.127 0.124 0.400) 0.438 6.228 ( -0.599 -0.233 -1.317) 1.466 8.202 ( 0.407 -0.761 1.051) 1.360 8.249 ( -0.014 -1.310 -1.140) 1.737 12.560 ( 0.311 1.847 1.713) 2.538 12.616 ( 0.121 1.364 -1.076) 1.742 12.685 ( -0.442 0.553 1.742) 1.881 12.749 ( -0.189 -0.799 -1.607) 1.805 12.782 ( -0.729 4.011 3.334) 5.266 12.900 ( 0.543 3.954 -3.632) 5.396 13.071 ( -0.150 0.161 1.700) 1.714 13.128 ( 0.372 1.224 -1.801) 2.209 13.723 ( 1.039 0.236 -0.546) 1.197 13.733 ( -0.686 0.187 -0.106) 0.719 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -11.508 2.814 4.914) 12.825 0.802 ( 6.428 5.486 1.594) 8.600 0.991 ( -5.655 0.881 2.664) 6.312 1.106 ( 2.602 3.595 -1.287) 4.620 1.226 ( -0.892 -2.214 -1.825) 3.005 1.260 ( 3.755 -1.554 -2.390) 4.714 1.306 ( -13.329 1.747 1.093) 13.487 1.519 ( 7.831 -2.636 -1.852) 8.467 1.563 ( -2.827 -1.559 4.519) 5.554 1.648 ( -6.227 3.648 3.625) 8.077 1.676 ( 4.076 0.791 -0.950) 4.260 1.753 ( 5.592 1.225 -2.423) 6.216 1.834 ( -6.259 1.169 4.693) 7.910 1.984 ( 1.986 -1.778 -0.737) 2.766 2.076 ( -1.827 1.323 -1.186) 2.549 2.140 ( 2.479 0.031 -2.770) 3.717 2.201 ( -1.296 -2.078 2.169) 3.271 2.253 ( 0.610 -0.564 -2.446) 2.583 2.326 ( -1.347 -4.855 1.261) 5.194 2.387 ( 3.674 -6.227 -1.759) 7.441 2.427 ( -4.731 -0.887 -3.884) 6.185 2.468 ( 4.910 -1.789 3.583) 6.337 2.594 ( -2.358 -2.238 0.193) 3.257 2.655 ( 3.192 -1.826 -1.290) 3.898 2.750 ( -2.495 6.171 3.926) 7.728 2.828 ( 2.397 4.852 -2.459) 5.945 2.986 ( -1.853 5.565 0.756) 5.914 3.017 ( 1.099 4.856 0.793) 5.042 3.180 ( -2.082 2.575 -0.167) 3.315 3.231 ( 2.744 0.574 -0.168) 2.808 3.321 ( 0.136 -1.498 -0.408) 1.559 3.329 ( 0.861 -0.389 -0.992) 1.370 3.505 ( -0.502 1.356 2.030) 2.492 3.533 ( -0.431 2.116 -2.296) 3.152 3.616 ( -1.118 -2.771 -0.795) 3.092 3.635 ( 1.187 -2.533 -0.293) 2.813 3.808 ( 1.992 -0.957 3.070) 3.783 3.823 ( -0.522 -0.918 -3.651) 3.801 4.013 ( -1.409 -0.858 0.900) 1.879 4.038 ( 0.648 -1.304 -0.558) 1.560 4.269 ( -1.664 1.510 0.855) 2.404 4.302 ( 1.246 0.961 -0.575) 1.675 4.416 ( -1.465 -1.649 0.799) 2.346 4.437 ( 0.691 -1.699 0.189) 1.844 4.839 ( -0.798 -0.674 2.272) 2.501 4.875 ( 0.909 -0.912 -2.072) 2.440 6.203 ( 0.653 0.027 0.950) 1.153 6.205 ( -0.385 0.188 -1.164) 1.240 8.222 ( 0.230 -0.947 1.205) 1.550 8.230 ( -0.325 -0.933 -1.408) 1.720 12.584 ( 0.003 1.677 1.838) 2.488 12.597 ( -0.549 1.194 -1.583) 2.058 12.699 ( -0.735 -0.205 2.296) 2.420 12.727 ( -0.029 0.302 -1.553) 1.582 12.818 ( -0.009 3.602 3.475) 5.005 12.870 ( 1.247 4.538 -4.067) 6.220 13.088 ( -0.422 0.417 1.929) 2.018 13.109 ( -0.170 0.775 -1.798) 1.965 13.717 ( -1.081 0.339 -0.035) 1.134 13.735 ( 0.895 0.084 -0.262) 0.936 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -7.268 0.765 5.348) 9.056 0.831 ( -9.557 7.339 8.649) 14.832 0.972 ( -5.964 1.929 -0.909) 6.334 1.017 ( -1.132 3.392 -1.726) 3.970 1.189 ( 0.859 -2.890 -4.024) 5.028 1.269 ( 1.371 1.398 9.265) 9.470 1.305 ( 2.695 1.647 0.104) 3.160 1.489 ( -2.245 -1.888 -1.983) 3.541 1.584 ( -0.874 0.777 -1.900) 2.231 1.593 ( -6.627 4.564 6.639) 10.432 1.718 ( -9.099 -1.932 3.258) 9.856 1.798 ( 5.762 0.258 1.724) 6.020 1.868 ( 9.315 1.001 -5.629) 10.930 2.003 ( 0.082 -2.495 -1.565) 2.946 2.060 ( -0.894 -0.829 3.155) 3.382 2.130 ( -3.290 -4.326 -1.270) 5.581 2.185 ( 1.962 -0.150 0.715) 2.094 2.254 ( 0.592 -1.102 1.829) 2.216 2.329 ( 0.021 0.219 -1.511) 1.527 2.359 ( 1.857 -1.456 0.848) 2.507 2.429 ( 2.734 -4.090 -0.796) 4.983 2.538 ( -2.046 -1.343 -0.561) 2.511 2.600 ( 4.132 -4.576 1.626) 6.377 2.665 ( 0.734 0.001 -2.784) 2.879 2.745 ( -1.645 5.256 1.698) 5.764 2.819 ( 0.028 0.315 -3.709) 3.722 2.946 ( -0.230 5.040 -1.219) 5.190 3.034 ( -0.640 2.971 0.010) 3.039 3.131 ( -2.101 5.788 -3.217) 6.947 3.246 ( 0.206 -1.406 -1.602) 2.142 3.353 ( 2.175 0.705 1.247) 2.604 3.354 ( 1.855 -0.275 1.796) 2.597 3.481 ( -1.544 -0.189 -0.247) 1.575 3.544 ( 0.084 1.607 0.789) 1.792 3.590 ( -0.150 -2.294 -0.084) 2.301 3.670 ( 0.396 -0.980 2.439) 2.659 3.746 ( -0.718 -1.510 -4.176) 4.498 3.906 ( 3.001 -2.162 2.603) 4.523 3.988 ( -1.049 0.667 -0.246) 1.268 4.039 ( -0.264 -1.184 0.110) 1.218 4.248 ( -1.531 2.325 0.349) 2.806 4.304 ( -0.002 -0.268 -0.918) 0.957 4.385 ( -2.350 -1.205 -0.601) 2.708 4.440 ( 0.251 -1.082 -0.951) 1.463 4.833 ( -0.638 -1.572 -0.413) 1.746 4.889 ( 1.119 0.444 0.496) 1.302 6.193 ( 0.097 0.315 -0.498) 0.597 6.227 ( 0.724 -0.334 1.103) 1.361 8.206 ( -0.532 -0.681 -1.193) 1.473 8.238 ( 0.037 -1.065 0.940) 1.420 12.567 ( -0.818 1.227 -1.471) 2.083 12.600 ( -0.359 1.443 1.406) 2.046 12.694 ( -1.008 0.417 -0.434) 1.173 12.736 ( 0.593 -0.426 1.847) 1.986 12.830 ( 0.584 4.015 -2.360) 4.694 12.875 ( 1.513 3.629 1.343) 4.155 13.086 ( -0.277 0.561 -1.415) 1.547 13.098 ( -1.031 0.820 1.845) 2.267 13.700 ( -1.060 0.586 0.340) 1.258 13.744 ( 0.557 0.029 -0.227) 0.602 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -4.754 2.664 5.626) 7.832 0.787 ( -9.628 6.628 10.920) 15.996 0.874 ( -8.544 6.132 12.896) 16.641 1.076 ( 6.351 -0.227 -1.817) 6.610 1.157 ( 0.655 -2.605 -4.450) 5.198 1.319 ( -3.280 3.906 2.784) 5.811 1.362 ( -2.822 -0.450 2.560) 3.837 1.457 ( 2.127 1.161 -4.846) 5.418 1.537 ( 0.205 3.062 2.221) 3.788 1.596 ( 0.429 3.346 3.773) 5.061 1.661 ( -5.065 -4.737 11.504) 13.433 1.825 ( -1.496 -3.321 -1.781) 4.054 1.937 ( 7.202 0.867 -7.189) 10.212 1.994 ( -0.599 -2.983 1.502) 3.394 2.074 ( -1.846 -1.317 1.631) 2.793 2.111 ( 0.832 -2.853 0.065) 2.973 2.221 ( 1.258 -2.191 -0.592) 2.595 2.289 ( -0.222 -1.755 3.106) 3.574 2.337 ( 1.961 0.089 -0.382) 1.999 2.429 ( 3.690 0.727 1.652) 4.108 2.458 ( 0.895 -3.156 0.559) 3.328 2.506 ( 1.028 0.059 -2.173) 2.405 2.622 ( -0.201 -2.364 -2.702) 3.596 2.654 ( 0.332 -1.650 -0.552) 1.771 2.744 ( -0.241 1.616 -2.780) 3.224 2.766 ( 0.448 0.393 -0.580) 0.831 2.941 ( 0.991 4.502 -2.677) 5.330 3.011 ( 0.088 3.789 -2.258) 4.412 3.048 ( -3.464 3.080 -1.926) 5.019 3.218 ( -0.793 -1.469 -2.239) 2.793 3.392 ( 0.723 1.651 2.758) 3.295 3.424 ( 2.863 -1.252 1.780) 3.596 3.449 ( -1.895 -1.092 -0.860) 2.350 3.533 ( -0.860 1.401 -0.783) 1.821 3.596 ( -0.071 -1.608 0.384) 1.655 3.690 ( -0.473 0.254 1.333) 1.437 3.728 ( 0.572 -0.955 1.087) 1.556 3.931 ( 1.096 0.452 -2.340) 2.623 3.996 ( -0.208 -3.969 1.153) 4.138 4.059 ( 1.657 -0.076 2.198) 2.753 4.228 ( -1.277 1.613 -0.077) 2.059 4.282 ( -1.282 0.645 -1.035) 1.769 4.333 ( -2.673 -0.526 -0.743) 2.824 4.429 ( 0.440 -0.295 -2.011) 2.080 4.816 ( -0.377 -1.106 -0.973) 1.520 4.902 ( -0.136 0.955 -0.036) 0.966 6.196 ( 0.490 0.206 0.197) 0.567 6.247 ( 0.254 -0.747 0.748) 1.087 8.191 ( -0.059 -0.652 -0.276) 0.711 8.245 ( -0.187 -1.051 0.363) 1.128 12.542 ( -0.457 1.268 -0.888) 1.614 12.605 ( -0.371 1.114 0.830) 1.438 12.668 ( -1.403 1.139 -0.763) 1.962 12.748 ( -0.815 -0.591 -1.361) 1.693 12.833 ( 2.772 3.023 -0.162) 4.105 12.919 ( 1.346 2.822 1.774) 3.595 13.070 ( 0.033 0.818 -1.041) 1.325 13.094 ( -1.795 0.951 1.480) 2.514 13.692 ( -0.733 0.845 0.785) 1.366 13.747 ( 0.238 0.134 -0.499) 0.569 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 1.665 1.934 12.350) 12.611 0.770 ( -7.148 3.772 11.489) 14.047 0.922 ( -7.553 4.381 15.402) 17.705 1.087 ( -1.860 -4.045 -5.041) 6.725 1.162 ( 8.066 1.598 -5.610) 9.955 1.242 ( -0.951 2.812 -6.263) 6.931 1.411 ( -0.050 -0.884 4.361) 4.450 1.463 ( -0.424 5.557 9.451) 10.972 1.525 ( -2.425 -1.511 0.283) 2.871 1.642 ( 0.248 2.838 1.376) 3.164 1.755 ( -0.413 -1.075 -2.946) 3.163 1.836 ( 4.541 -1.803 5.664) 7.480 1.933 ( -0.019 0.230 -3.177) 3.185 1.999 ( -0.041 -3.201 0.816) 3.304 2.023 ( -5.369 -1.511 0.279) 5.585 2.108 ( 2.301 -1.951 -6.380) 7.058 2.222 ( 0.130 -0.919 -0.118) 0.936 2.302 ( -2.060 -2.513 -0.365) 3.270 2.353 ( 1.705 0.016 0.049) 1.706 2.465 ( 1.023 -1.040 -1.166) 1.867 2.489 ( -0.647 -0.859 3.347) 3.516 2.535 ( 2.614 -0.629 -0.426) 2.722 2.608 ( 0.083 -0.449 0.035) 0.458 2.636 ( 0.947 -2.814 -1.995) 3.577 2.702 ( 0.658 0.352 -1.257) 1.462 2.818 ( 2.841 0.449 0.964) 3.033 2.902 ( 1.959 5.089 -6.039) 8.137 2.970 ( -2.633 3.064 -2.676) 4.846 3.029 ( 1.342 0.039 1.840) 2.278 3.168 ( -1.644 -1.810 -2.922) 3.811 3.387 ( -1.985 0.413 -0.128) 2.031 3.462 ( 1.129 0.569 0.661) 1.426 3.479 ( 1.058 0.374 1.794) 2.116 3.510 ( -0.043 -1.178 0.758) 1.402 3.601 ( 0.318 -2.805 0.756) 2.922 3.715 ( 0.521 0.198 2.629) 2.687 3.747 ( 0.129 1.515 1.366) 2.044 3.915 ( 0.411 -0.529 -2.613) 2.698 4.001 ( -0.756 -3.518 1.396) 3.859 4.089 ( -0.606 -2.085 -1.126) 2.446 4.211 ( -0.233 0.008 0.881) 0.911 4.255 ( -1.141 2.898 0.387) 3.139 4.300 ( -0.674 0.389 0.157) 0.794 4.405 ( -0.189 0.589 -2.742) 2.811 4.809 ( 0.815 -0.419 -0.299) 0.964 4.883 ( -1.611 0.497 -0.564) 1.778 6.210 ( 0.564 0.061 0.556) 0.795 6.251 ( -0.366 -0.837 0.176) 0.930 8.198 ( 0.652 -1.051 0.373) 1.292 8.240 ( -0.333 -0.891 -0.350) 1.014 12.537 ( 0.542 1.180 0.044) 1.300 12.610 ( -0.069 0.664 0.564) 0.874 12.630 ( -1.836 1.571 -1.036) 2.629 12.693 ( -2.452 1.220 -2.180) 3.500 12.893 ( 3.301 1.110 0.424) 3.508 12.950 ( 0.532 2.317 0.625) 2.458 13.062 ( 0.215 1.290 -0.790) 1.528 13.077 ( -1.815 0.443 0.943) 2.093 13.694 ( -0.357 1.036 1.118) 1.566 13.741 ( 0.094 0.403 -0.882) 0.974 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.944 1.369 11.602) 12.685 0.834 ( -4.672 1.290 8.059) 9.405 0.931 ( -1.739 -1.234 -4.503) 4.982 1.056 ( -4.234 5.262 6.193) 9.163 1.114 ( -2.966 -1.991 -10.604) 11.190 1.241 ( 4.345 0.323 -5.266) 6.834 1.359 ( -7.363 -2.471 2.701) 8.223 1.443 ( 6.776 -1.551 -2.789) 7.490 1.658 ( 0.293 -0.039 4.151) 4.162 1.747 ( -0.915 1.773 2.204) 2.973 1.756 ( -0.390 0.354 3.603) 3.642 1.866 ( 1.153 0.601 0.151) 1.309 1.938 ( 1.051 2.055 0.967) 2.503 1.980 ( 0.000 2.361 -2.715) 3.598 2.039 ( -2.593 3.588 2.248) 4.965 2.074 ( 3.862 2.160 -3.292) 5.515 2.216 ( -1.321 -2.272 4.524) 5.232 2.263 ( 1.585 1.953 -0.285) 2.531 2.395 ( -0.796 0.740 0.294) 1.126 2.418 ( -1.870 -1.909 -0.807) 2.792 2.487 ( 1.849 -0.270 0.854) 2.054 2.513 ( -1.017 -1.476 -0.834) 1.977 2.559 ( -2.263 -2.901 0.736) 3.752 2.597 ( 1.344 -1.511 -2.746) 3.410 2.744 ( 0.292 -2.214 1.224) 2.547 2.768 ( 0.478 -2.418 -0.157) 2.470 2.960 ( -3.672 3.593 -0.260) 5.145 3.006 ( 4.124 3.384 -3.900) 6.608 3.039 ( 0.676 -0.786 0.186) 1.053 3.069 ( -0.587 -2.617 -2.306) 3.537 3.386 ( 0.097 0.566 1.516) 1.621 3.432 ( -0.982 0.153 -2.332) 2.535 3.482 ( 0.525 -2.420 0.568) 2.541 3.499 ( 0.274 -1.694 -0.467) 1.778 3.655 ( 3.221 2.780 2.543) 4.957 3.708 ( -2.693 1.212 -1.380) 3.260 3.823 ( 1.439 -0.476 3.883) 4.169 3.871 ( 0.121 -2.209 0.047) 2.212 3.986 ( 0.191 0.533 -0.717) 0.914 3.996 ( -1.390 -0.966 -1.714) 2.409 4.229 ( 1.341 -1.198 0.681) 1.923 4.244 ( -1.146 -0.923 -0.903) 1.726 4.345 ( 0.208 1.473 1.731) 2.282 4.381 ( -0.478 0.327 -1.539) 1.645 4.819 ( 0.681 -0.607 0.455) 1.019 4.837 ( -0.989 -0.765 -1.331) 1.826 6.223 ( 0.459 -0.344 0.380) 0.688 6.228 ( -0.441 -0.653 -0.057) 0.790 8.188 ( 0.198 -1.257 0.483) 1.362 8.204 ( 0.060 -1.602 -0.879) 1.829 12.579 ( 0.902 0.842 1.422) 1.882 12.609 ( -1.077 1.015 -0.647) 1.615 12.626 ( -0.724 0.054 1.026) 1.257 12.671 ( 0.291 0.275 -2.383) 2.416 12.979 ( -1.027 3.364 1.339) 3.764 12.998 ( 0.066 2.977 -0.261) 2.989 13.072 ( -0.798 1.311 0.260) 1.557 13.092 ( 1.790 1.234 -1.349) 2.559 13.730 ( -0.025 1.484 0.933) 1.753 13.747 ( 0.162 0.919 -0.696) 1.164 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.850 1.881 -7.996) 9.072 0.864 ( -1.252 0.323 6.072) 6.208 0.958 ( 0.823 0.932 2.780) 3.045 1.025 ( -0.070 -1.458 4.410) 4.645 1.094 ( 2.041 3.871 6.576) 7.899 1.271 ( 5.039 1.111 -6.879) 8.599 1.284 ( -5.029 -3.337 5.131) 7.921 1.495 ( 2.524 -3.127 -3.565) 5.372 1.691 ( -2.508 -1.600 3.451) 4.556 1.727 ( 1.316 2.662 -3.724) 4.763 1.793 ( 0.705 0.048 -4.976) 5.026 1.822 ( -3.340 1.273 6.921) 7.789 1.932 ( -2.350 2.488 -1.657) 3.802 1.979 ( 0.789 0.323 0.180) 0.872 2.031 ( 1.727 0.240 -0.892) 1.959 2.092 ( -0.103 4.730 -2.741) 5.468 2.227 ( -1.180 1.201 1.295) 2.124 2.279 ( 2.305 -1.806 -1.837) 3.457 2.347 ( -3.095 -1.644 1.178) 3.697 2.409 ( -2.264 -0.081 1.097) 2.517 2.482 ( -2.881 0.255 2.497) 3.822 2.504 ( -0.465 -1.063 -0.747) 1.380 2.569 ( 2.708 -0.669 1.291) 3.074 2.589 ( -0.245 -2.728 -1.224) 3.000 2.694 ( -2.018 -1.591 -0.588) 2.636 2.836 ( 1.470 -2.135 -1.887) 3.206 2.919 ( -0.064 4.906 2.428) 5.474 3.010 ( 1.215 3.635 -0.518) 3.868 3.057 ( 1.498 -1.525 -2.740) 3.475 3.077 ( 2.413 -0.998 1.736) 3.135 3.397 ( 0.461 0.453 -0.281) 0.705 3.432 ( 0.992 0.084 1.435) 1.746 3.487 ( 0.094 -2.283 -0.785) 2.416 3.503 ( 0.909 -2.432 -0.385) 2.625 3.638 ( -1.969 2.273 -2.957) 4.218 3.741 ( 3.019 2.196 2.492) 4.488 3.809 ( -3.171 -1.855 -1.685) 4.042 3.870 ( -0.667 0.846 -1.097) 1.537 3.986 ( 0.519 -1.407 -0.181) 1.511 4.001 ( 1.230 -1.301 1.899) 2.610 4.224 ( -0.014 -1.092 -0.561) 1.228 4.266 ( 2.005 -0.750 0.491) 2.196 4.341 ( -1.323 1.244 -0.547) 1.897 4.373 ( -0.082 0.333 0.807) 0.877 4.801 ( -1.168 0.003 -0.047) 1.169 4.858 ( 1.941 -1.397 0.584) 2.462 6.215 ( -0.724 -0.294 -0.203) 0.808 6.234 ( 0.379 -0.788 0.157) 0.888 8.184 ( -0.589 -1.124 -0.253) 1.294 8.206 ( 0.650 -1.810 -0.085) 1.925 12.580 ( -0.570 1.738 -1.204) 2.190 12.613 ( 0.767 0.644 1.472) 1.780 12.634 ( 0.115 0.449 1.016) 1.117 12.674 ( 1.973 -0.630 -0.365) 2.103 12.941 ( -3.693 3.556 0.788) 5.187 13.007 ( -0.131 2.115 0.495) 2.176 13.073 ( 0.542 2.231 -0.163) 2.302 13.117 ( 2.869 1.368 -1.181) 3.391 13.737 ( -0.079 1.173 0.212) 1.195 13.742 ( 0.172 1.109 -0.443) 1.207 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.703 4.295 -7.139) 8.362 0.920 ( -2.109 3.180 6.342) 7.401 1.017 ( 4.189 -0.529 1.944) 4.649 1.069 ( -1.539 3.113 4.944) 6.041 1.227 ( 2.574 2.395 6.517) 7.405 1.234 ( 2.049 0.411 -5.653) 6.027 1.295 ( 0.283 -2.595 -0.093) 2.612 1.429 ( -5.821 -2.986 -1.537) 6.721 1.645 ( -3.949 -1.046 2.014) 4.555 1.725 ( 1.958 0.339 -3.459) 3.989 1.766 ( 1.459 -2.016 -3.587) 4.366 1.842 ( -4.247 0.294 -2.012) 4.708 1.854 ( -2.070 1.445 1.213) 2.801 2.007 ( 1.578 -1.332 3.329) 3.917 2.024 ( -0.638 5.648 -2.158) 6.079 2.071 ( 3.721 -3.081 -2.981) 5.677 2.221 ( -0.634 2.472 0.471) 2.595 2.310 ( 3.128 -2.616 -1.658) 4.402 2.335 ( -0.519 -2.568 1.393) 2.967 2.343 ( -3.473 -1.473 -1.903) 4.225 2.452 ( -4.445 -2.196 -0.976) 5.053 2.493 ( -2.791 1.945 3.439) 4.838 2.564 ( 0.101 -1.132 -0.965) 1.491 2.636 ( 3.248 -1.338 0.301) 3.526 2.690 ( 0.527 1.009 1.857) 2.178 2.792 ( -2.265 -0.184 -0.557) 2.340 2.973 ( 2.025 5.563 1.245) 6.050 3.041 ( 1.526 2.522 0.503) 2.991 3.076 ( 3.741 2.215 0.281) 4.357 3.149 ( 2.715 -0.145 2.495) 3.691 3.404 ( 0.029 -1.282 -0.198) 1.297 3.429 ( -0.600 -1.897 -1.373) 2.417 3.483 ( 0.299 -1.024 -2.220) 2.464 3.522 ( 0.804 0.206 1.134) 1.405 3.596 ( 0.332 1.702 -0.994) 1.999 3.737 ( -2.040 -1.715 -2.773) 3.846 3.776 ( 0.968 1.477 -3.268) 3.715 3.869 ( -0.648 1.300 4.548) 4.774 3.972 ( -0.202 -2.567 -2.568) 3.637 4.045 ( 0.575 -2.412 2.188) 3.307 4.227 ( 0.854 0.201 -0.279) 0.921 4.296 ( -0.210 1.143 1.225) 1.689 4.327 ( 1.448 -0.416 -0.856) 1.733 4.375 ( -1.112 -0.594 1.353) 1.849 4.793 ( -0.269 0.462 0.620) 0.819 4.891 ( 1.213 -1.575 0.366) 2.021 6.201 ( -0.722 -0.041 -0.113) 0.732 6.238 ( 0.095 -1.149 -0.214) 1.173 8.174 ( -0.321 -0.852 -0.080) 0.914 8.215 ( 0.437 -2.123 -0.010) 2.167 12.568 ( 0.326 1.960 -0.417) 2.030 12.627 ( 0.486 0.242 0.099) 0.552 12.662 ( 1.014 0.743 1.298) 1.807 12.709 ( 1.593 -1.283 0.650) 2.146 12.892 ( -3.358 4.632 1.325) 5.873 13.004 ( -0.690 1.661 0.279) 1.821 13.080 ( 0.701 3.081 -0.546) 3.207 13.150 ( 2.625 1.552 -1.355) 3.337 13.731 ( 0.220 1.081 -0.902) 1.425 13.745 ( -0.005 0.642 0.242) 0.687 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 2.126 2.995 -3.462) 5.048 0.918 ( -6.423 3.587 5.047) 8.922 1.077 ( 1.048 -0.648 1.156) 1.689 1.098 ( 3.894 3.335 -2.590) 5.744 1.208 ( 3.207 1.652 -5.351) 6.454 1.274 ( -2.473 -7.736 -0.780) 8.159 1.312 ( -0.984 2.364 2.215) 3.386 1.380 ( -1.792 0.685 5.836) 6.143 1.615 ( -4.455 -0.838 4.956) 6.716 1.690 ( -1.403 0.057 -0.362) 1.450 1.749 ( -2.005 1.646 -0.655) 2.676 1.776 ( 3.708 -2.534 -3.246) 5.541 1.870 ( 1.229 2.117 0.299) 2.466 1.974 ( -1.367 4.086 -2.459) 4.961 2.080 ( 2.074 -1.605 1.030) 2.818 2.106 ( 4.112 -2.046 -2.275) 5.126 2.219 ( 0.554 1.919 -1.105) 2.283 2.264 ( -3.522 -1.597 -0.476) 3.896 2.289 ( -4.968 -0.002 0.297) 4.977 2.359 ( 0.459 -3.086 -2.292) 3.871 2.403 ( 2.630 -3.519 0.402) 4.411 2.448 ( -2.438 0.262 -2.731) 3.670 2.574 ( -0.565 0.034 2.977) 3.030 2.655 ( 0.225 -2.411 -2.726) 3.646 2.747 ( 1.411 2.216 3.922) 4.721 2.790 ( 1.430 -0.531 2.404) 2.847 3.009 ( 0.717 6.001 1.199) 6.161 3.072 ( 1.908 2.893 0.145) 3.468 3.161 ( 3.776 4.335 2.514) 6.274 3.202 ( 1.176 1.188 1.181) 2.047 3.367 ( -2.194 -1.971 -1.294) 3.221 3.416 ( -1.331 -0.383 -1.650) 2.154 3.470 ( 2.745 -0.313 -1.535) 3.160 3.536 ( 0.297 0.105 0.873) 0.928 3.617 ( 1.075 0.500 0.410) 1.255 3.678 ( -1.363 -3.751 -3.229) 5.133 3.735 ( -0.492 2.251 -2.940) 3.735 3.901 ( -1.317 0.053 0.601) 1.449 3.947 ( 0.547 -2.695 0.309) 2.768 4.060 ( -0.399 -0.235 0.294) 0.549 4.248 ( 1.023 -0.289 1.144) 1.561 4.297 ( -0.380 1.245 0.796) 1.526 4.352 ( 1.535 -1.299 -0.514) 2.075 4.376 ( -0.818 -1.507 2.139) 2.741 4.800 ( -0.039 0.315 0.838) 0.896 4.899 ( -0.063 -1.571 -0.778) 1.755 6.191 ( -0.457 0.175 0.171) 0.519 6.233 ( -0.155 -1.057 -0.550) 1.202 8.174 ( 0.083 -0.709 0.491) 0.866 8.219 ( 0.289 -2.122 -0.193) 2.151 12.578 ( 0.759 1.980 0.371) 2.152 12.636 ( 0.702 0.238 -0.396) 0.840 12.686 ( 0.279 0.629 0.951) 1.173 12.728 ( 0.233 -1.716 -0.136) 1.737 12.872 ( -1.919 5.852 2.838) 6.780 12.995 ( -0.292 2.524 -0.264) 2.555 13.083 ( 0.480 2.932 -0.534) 3.019 13.165 ( 1.561 1.561 -2.074) 3.029 13.727 ( 0.511 0.831 -0.791) 1.256 13.744 ( -0.152 0.291 -0.062) 0.334 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 5.392 1.499 2.132) 5.989 0.843 ( -7.500 3.055 2.144) 8.377 1.105 ( 0.003 0.941 2.058) 2.263 1.132 ( 0.949 2.904 0.229) 3.063 1.187 ( 0.164 -0.478 -3.000) 3.043 1.244 ( -2.856 -2.215 -1.544) 3.930 1.291 ( 3.646 -2.885 1.384) 4.851 1.426 ( -0.321 -1.954 1.196) 2.313 1.589 ( -7.477 -0.383 6.930) 10.202 1.681 ( 3.297 1.997 -4.682) 6.064 1.729 ( -0.100 1.227 1.957) 2.312 1.796 ( -0.093 1.344 -3.165) 3.440 1.876 ( -3.473 1.846 3.582) 5.320 1.965 ( 3.791 3.160 -2.772) 5.660 2.116 ( 3.514 -1.116 -0.601) 3.736 2.145 ( 1.055 -1.194 -0.658) 1.723 2.195 ( -2.287 -0.283 -0.250) 2.318 2.213 ( -1.447 -2.432 1.559) 3.231 2.251 ( 1.596 2.743 -0.974) 3.319 2.307 ( -4.191 -5.470 -2.379) 7.290 2.394 ( 1.713 3.875 -2.223) 4.784 2.475 ( 2.603 -4.422 0.596) 5.166 2.588 ( -0.918 -0.086 -0.052) 0.923 2.603 ( -1.434 -1.609 -2.062) 2.983 2.808 ( 0.209 1.578 4.351) 4.633 2.864 ( 3.089 -0.080 1.999) 3.680 3.026 ( -0.610 5.531 1.710) 5.821 3.097 ( 1.642 1.169 -1.252) 2.373 3.218 ( -0.346 1.611 1.808) 2.446 3.242 ( 1.575 4.761 2.367) 5.545 3.327 ( -0.582 -0.528 -1.094) 1.347 3.361 ( -1.450 1.527 -2.600) 3.346 3.516 ( 2.428 0.593 0.516) 2.552 3.551 ( 0.984 -0.465 -0.355) 1.145 3.609 ( 0.021 -0.778 -4.032) 4.106 3.619 ( -2.228 -2.096 -0.783) 3.157 3.727 ( 1.057 0.464 1.416) 1.826 3.855 ( -1.329 -2.855 -3.231) 4.512 3.979 ( 0.263 -0.198 2.612) 2.633 4.048 ( -0.455 0.534 -0.976) 1.202 4.272 ( -0.119 -0.679 1.538) 1.686 4.308 ( 0.649 0.883 0.350) 1.150 4.366 ( 0.448 -2.283 0.790) 2.457 4.389 ( -0.139 -2.232 0.792) 2.372 4.811 ( -0.024 -0.185 1.259) 1.273 4.875 ( -0.682 -1.578 -1.864) 2.536 6.192 ( 0.020 0.274 0.568) 0.631 6.221 ( -0.261 -0.525 -0.818) 1.007 8.186 ( 0.288 -0.787 0.957) 1.272 8.218 ( 0.082 -1.760 -0.573) 1.853 12.597 ( 0.564 1.781 0.920) 2.083 12.636 ( -0.077 0.525 -0.791) 0.952 12.695 ( -0.396 0.317 0.922) 1.053 12.722 ( 0.166 -1.399 -0.893) 1.669 12.888 ( -1.111 6.140 3.919) 7.369 12.987 ( 0.434 4.354 -1.564) 4.647 13.087 ( 0.175 1.772 0.505) 1.851 13.155 ( 0.557 1.375 -2.667) 3.052 13.730 ( 0.669 0.507 -0.482) 0.968 13.738 ( -0.406 0.302 -0.266) 0.572 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -10.507 4.011 2.445) 11.509 0.843 ( 6.714 -1.158 1.710) 7.024 1.065 ( -8.147 5.701 3.952) 10.700 1.147 ( -0.346 0.075 1.692) 1.729 1.176 ( -1.704 -2.594 -2.472) 3.968 1.220 ( 4.072 -1.193 0.236) 4.250 1.326 ( -4.626 -0.770 -0.291) 4.699 1.445 ( 6.850 -4.518 -1.896) 8.422 1.560 ( -4.088 2.396 5.494) 7.255 1.712 ( 3.938 2.518 -2.141) 5.141 1.734 ( -1.567 4.729 -0.181) 4.985 1.765 ( 2.525 0.076 -1.116) 2.762 1.873 ( -2.321 2.657 3.919) 5.273 1.972 ( 2.016 -0.708 -3.769) 4.333 2.090 ( -5.646 0.987 1.279) 5.872 2.163 ( -0.311 -1.373 -0.361) 1.453 2.187 ( 0.175 1.172 1.066) 1.594 2.203 ( -2.589 -1.915 -0.326) 3.237 2.263 ( 3.540 -3.267 0.245) 4.823 2.290 ( 4.975 -0.809 -3.169) 5.954 2.434 ( -2.359 0.032 -3.325) 4.077 2.448 ( 2.606 0.784 2.453) 3.664 2.546 ( -4.303 -2.244 -0.020) 4.853 2.616 ( 3.578 -1.599 -0.318) 3.932 2.841 ( -1.814 1.342 3.171) 3.893 2.896 ( 0.868 1.028 -3.029) 3.314 3.032 ( -2.290 1.468 3.554) 4.476 3.089 ( 0.025 2.212 -2.598) 3.412 3.234 ( -0.745 1.230 2.386) 2.786 3.269 ( 0.848 3.113 -0.043) 3.226 3.324 ( 0.361 2.019 -0.885) 2.234 3.336 ( 1.687 1.909 -0.802) 2.671 3.521 ( -1.630 0.548 0.016) 1.720 3.560 ( 0.538 -0.068 -2.774) 2.827 3.570 ( -2.055 -0.735 -0.199) 2.192 3.602 ( 2.432 -0.985 0.746) 2.728 3.782 ( 0.767 -1.738 1.356) 2.334 3.794 ( -0.135 -2.020 -2.229) 3.011 4.009 ( 0.038 0.438 2.154) 2.199 4.027 ( -0.033 0.226 -1.500) 1.517 4.285 ( -0.649 0.026 1.752) 1.868 4.308 ( 0.125 -0.347 -1.291) 1.342 4.376 ( -1.150 -2.320 0.354) 2.613 4.395 ( 0.981 -2.561 0.234) 2.752 4.824 ( -0.890 -0.690 1.243) 1.677 4.853 ( 1.024 -1.360 -1.056) 2.004 6.203 ( 0.329 0.023 0.748) 0.817 6.208 ( -0.100 0.067 -0.835) 0.844 8.201 ( 0.092 -1.089 0.862) 1.392 8.209 ( -0.094 -1.229 -0.928) 1.543 12.613 ( -0.367 1.076 0.944) 1.478 12.618 ( -0.722 0.946 -0.632) 1.347 12.696 ( -0.778 -0.170 1.032) 1.304 12.721 ( 0.961 -0.702 -0.938) 1.515 12.917 ( -1.012 6.048 3.918) 7.277 12.971 ( 0.958 5.567 -3.013) 6.402 13.101 ( -0.195 0.954 1.841) 2.083 13.128 ( 0.039 1.140 -2.620) 2.857 13.726 ( -0.653 0.593 -0.139) 0.893 13.738 ( 0.666 0.211 -0.251) 0.742 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -6.792 4.136 2.848) 8.447 0.928 ( 0.561 -4.469 2.573) 5.188 0.968 ( -9.975 6.250 7.050) 13.721 1.114 ( -3.529 3.478 -0.945) 5.044 1.173 ( 3.007 1.422 -2.219) 3.998 1.251 ( 0.139 -2.053 3.302) 3.891 1.342 ( 5.287 1.989 -0.504) 5.671 1.472 ( 0.624 -1.884 -1.854) 2.716 1.574 ( -2.248 1.060 4.423) 5.074 1.683 ( -5.524 3.716 3.047) 7.322 1.754 ( -2.434 3.090 -3.067) 4.988 1.808 ( 4.401 1.622 0.174) 4.693 1.869 ( 2.754 -0.274 -4.476) 5.263 1.958 ( 0.673 -1.218 -0.513) 1.483 2.051 ( -1.172 -0.033 2.074) 2.382 2.080 ( -3.679 -0.119 -0.150) 3.684 2.214 ( 0.780 0.931 -0.429) 1.288 2.230 ( 0.964 -1.283 2.799) 3.226 2.322 ( -0.996 -3.321 0.528) 3.507 2.335 ( 4.943 -0.334 0.281) 4.962 2.379 ( 2.766 1.983 -1.674) 3.793 2.456 ( -1.532 -5.845 -2.930) 6.716 2.549 ( 0.736 -1.447 4.726) 4.997 2.652 ( 1.862 -0.715 -1.442) 2.461 2.816 ( -3.459 0.522 0.547) 3.540 2.841 ( -1.500 1.015 -4.513) 4.863 3.020 ( -1.829 1.509 0.739) 2.483 3.068 ( -0.677 3.681 0.202) 3.748 3.222 ( -1.652 -0.338 -1.120) 2.024 3.250 ( -1.415 3.887 -3.741) 5.577 3.342 ( 2.155 -0.258 0.890) 2.345 3.380 ( 2.686 2.393 1.102) 3.762 3.466 ( -3.138 -1.072 -1.189) 3.523 3.555 ( 0.388 0.523 -0.268) 0.705 3.578 ( 0.844 -0.766 2.881) 3.098 3.640 ( 0.919 -1.512 0.409) 1.816 3.729 ( -0.905 -0.067 -2.621) 2.774 3.851 ( 1.592 -3.757 2.973) 5.049 3.999 ( -0.110 0.949 -2.345) 2.532 4.040 ( 0.221 0.977 1.809) 2.068 4.273 ( -1.352 -0.181 -0.651) 1.512 4.305 ( 0.109 0.767 0.122) 0.784 4.349 ( -1.712 -2.353 -0.379) 2.934 4.410 ( 0.762 -2.150 -0.606) 2.360 4.813 ( -0.509 -0.452 -0.199) 0.709 4.880 ( 1.407 -1.343 0.822) 2.112 6.199 ( 0.156 0.309 -0.566) 0.663 6.219 ( 0.368 -0.508 0.695) 0.936 8.191 ( -0.359 -0.778 -0.981) 1.303 8.213 ( 0.083 -1.508 0.443) 1.574 12.589 ( -1.284 0.911 -0.593) 1.682 12.618 ( -1.018 0.254 1.178) 1.577 12.695 ( -0.464 0.037 0.386) 0.605 12.730 ( 1.001 -0.374 -0.398) 1.141 12.929 ( -0.401 5.877 -0.209) 5.895 12.966 ( 0.891 5.251 0.039) 5.326 13.102 ( 0.100 1.061 -1.880) 2.161 13.117 ( -0.842 1.045 2.119) 2.508 13.716 ( -0.584 0.978 0.210) 1.158 13.745 ( 0.490 0.040 -0.151) 0.514 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.970 5.447 4.908) 7.396 0.906 ( -6.920 4.327 6.030) 10.147 0.977 ( -4.433 3.178 10.029) 11.416 1.077 ( 1.086 2.505 0.804) 2.846 1.168 ( 1.471 3.042 -5.015) 6.047 1.306 ( 2.022 -4.382 1.228) 4.980 1.380 ( 0.681 2.682 -4.487) 5.272 1.485 ( 4.295 -1.299 -2.631) 5.202 1.559 ( -7.607 0.774 6.155) 9.816 1.630 ( -2.528 1.613 5.825) 6.551 1.699 ( -1.252 5.802 1.921) 6.239 1.780 ( -3.585 0.762 0.863) 3.766 1.923 ( 7.321 -3.689 -5.387) 9.809 1.991 ( 2.294 2.305 0.486) 3.288 2.049 ( -1.520 -1.438 -0.824) 2.249 2.056 ( -0.876 -0.991 0.473) 1.405 2.215 ( -0.605 -0.663 1.282) 1.565 2.244 ( -3.356 -2.677 2.071) 4.767 2.331 ( 2.915 -0.779 0.460) 3.052 2.391 ( 3.803 -1.890 -3.072) 5.241 2.449 ( 3.460 -4.385 -1.259) 5.725 2.452 ( 2.394 0.714 4.507) 5.153 2.582 ( -1.030 -1.534 0.959) 2.081 2.651 ( 0.698 -0.018 -2.230) 2.337 2.762 ( -1.732 0.653 -3.840) 4.263 2.781 ( -0.817 0.274 0.941) 1.276 3.004 ( -0.674 2.355 -0.331) 2.472 3.050 ( -1.391 2.145 -0.607) 2.628 3.133 ( -3.853 3.401 -4.731) 6.985 3.199 ( -1.145 -0.206 -2.223) 2.509 3.388 ( 1.646 -1.519 1.504) 2.698 3.409 ( -2.330 -0.947 0.399) 2.547 3.434 ( 1.844 1.064 0.585) 2.208 3.555 ( 1.055 0.830 -1.490) 2.006 3.602 ( -0.811 1.151 -0.442) 1.476 3.676 ( 1.805 -4.075 2.986) 5.365 3.708 ( -0.870 1.651 1.386) 2.325 3.905 ( 0.128 -4.622 3.457) 5.773 3.962 ( 0.202 1.683 -3.716) 4.084 4.062 ( 0.424 0.118 0.810) 0.922 4.236 ( -1.826 -0.123 -1.055) 2.112 4.307 ( 0.216 1.660 0.015) 1.675 4.318 ( -1.956 -1.018 0.111) 2.208 4.409 ( 0.682 -1.697 -1.378) 2.290 4.806 ( -0.023 0.112 -0.400) 0.416 4.898 ( 0.161 -1.334 -0.284) 1.373 6.201 ( 0.477 0.209 -0.094) 0.529 6.229 ( 0.053 -0.991 0.500) 1.111 8.178 ( -0.067 -0.638 -0.500) 0.813 8.216 ( 0.026 -1.823 -0.038) 1.823 12.565 ( -0.990 1.024 -0.102) 1.428 12.612 ( -1.255 -0.550 1.284) 1.878 12.684 ( -0.779 0.728 -0.578) 1.213 12.734 ( 0.169 -0.685 -1.242) 1.428 12.923 ( 1.345 5.571 -1.185) 5.852 12.987 ( 0.455 3.944 1.314) 4.181 13.089 ( 0.437 1.283 -1.216) 1.821 13.118 ( -1.735 1.279 1.504) 2.628 13.713 ( -0.305 1.315 0.644) 1.496 13.750 ( 0.332 0.135 -0.238) 0.430 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.908 5.527 7.473) 9.338 0.856 ( -6.158 4.562 4.873) 9.082 0.993 ( -5.101 0.916 5.254) 7.380 1.070 ( -2.470 4.788 -0.620) 5.423 1.185 ( 4.820 -0.439 -2.913) 5.649 1.293 ( -0.554 2.012 -7.554) 7.837 1.359 ( 3.687 -3.720 -1.057) 5.343 1.468 ( -6.478 -2.839 1.282) 7.188 1.572 ( 2.662 2.788 6.404) 7.475 1.695 ( -0.937 3.406 1.955) 4.037 1.761 ( 4.153 -3.378 5.647) 7.781 1.770 ( -2.537 1.888 5.923) 6.714 1.942 ( 0.609 -1.316 -2.442) 2.840 2.010 ( 0.041 1.085 -2.341) 2.580 2.021 ( -0.141 5.155 2.104) 5.569 2.064 ( 3.783 -1.555 -3.323) 5.270 2.197 ( -3.816 -7.608 4.483) 9.620 2.241 ( 0.914 2.415 0.207) 2.591 2.387 ( 3.316 2.753 -1.649) 4.614 2.413 ( 2.576 -4.367 -1.260) 5.225 2.477 ( -0.146 -1.397 0.400) 1.461 2.539 ( 1.828 -1.463 2.689) 3.565 2.550 ( -1.771 -0.705 -0.458) 1.961 2.625 ( 0.032 -0.297 -3.180) 3.194 2.711 ( 0.564 0.441 -2.234) 2.346 2.800 ( -1.081 -1.629 2.032) 2.819 2.982 ( 1.547 2.760 -3.484) 4.706 3.019 ( -2.611 1.052 0.269) 2.828 3.046 ( -0.244 2.489 -2.880) 3.814 3.136 ( -2.663 -1.492 -3.254) 4.462 3.382 ( -1.026 -0.333 0.551) 1.211 3.435 ( 1.316 -2.141 1.370) 2.863 3.471 ( 0.921 -0.649 1.372) 1.776 3.529 ( -1.477 1.116 -3.480) 3.942 3.594 ( 1.517 2.088 0.619) 2.654 3.724 ( -0.379 1.165 3.435) 3.647 3.746 ( 1.761 -1.602 3.003) 3.832 3.887 ( -2.451 -2.570 -0.459) 3.581 3.972 ( 2.039 0.252 -0.005) 2.055 4.051 ( -1.225 -1.933 -2.174) 3.157 4.211 ( -0.413 0.369 0.580) 0.802 4.281 ( -2.063 -0.299 -0.717) 2.205 4.320 ( 0.631 1.726 1.044) 2.114 4.401 ( 0.224 -0.854 -1.430) 1.681 4.805 ( 0.576 0.120 -0.335) 0.677 4.878 ( -1.359 -1.122 -1.308) 2.195 6.210 ( 0.562 -0.010 0.224) 0.605 6.232 ( -0.240 -1.029 0.297) 1.097 8.179 ( 0.353 -0.885 0.128) 0.962 8.213 ( -0.037 -1.847 -0.530) 1.922 12.559 ( -0.072 0.996 0.673) 1.204 12.610 ( -0.884 -0.716 1.530) 1.907 12.656 ( -1.278 1.127 -1.370) 2.186 12.705 ( -0.737 0.009 -2.416) 2.526 12.949 ( 2.217 4.275 0.095) 4.816 13.004 ( -0.131 3.037 0.767) 3.135 13.086 ( 0.787 1.247 -1.100) 1.840 13.095 ( -2.178 1.396 0.538) 2.642 13.719 ( -0.078 1.522 0.925) 1.783 13.750 ( 0.241 0.501 -0.431) 0.704 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 1.152 2.721 8.028) 8.554 0.858 ( -2.571 -0.493 3.067) 4.032 0.944 ( -0.374 3.690 -4.687) 5.977 1.041 ( -0.281 -4.945 -10.618) 11.717 1.151 ( -4.294 3.279 4.654) 7.131 1.204 ( -2.854 -2.951 0.849) 4.192 1.364 ( -1.641 2.885 0.121) 3.322 1.421 ( 4.951 -1.787 -2.956) 6.037 1.640 ( -0.287 -0.085 2.146) 2.167 1.688 ( 1.631 -4.445 -1.866) 5.090 1.819 ( -1.949 4.545 6.661) 8.296 1.884 ( -0.321 -1.276 1.819) 2.245 1.981 ( 3.650 3.141 1.391) 5.012 2.018 ( 0.117 0.532 -3.160) 3.207 2.084 ( -0.570 1.123 1.488) 1.950 2.110 ( 3.234 -0.958 1.607) 3.736 2.197 ( 0.670 3.044 1.067) 3.294 2.270 ( -1.694 -2.844 -4.384) 5.494 2.384 ( 3.426 1.524 4.233) 5.655 2.422 ( -2.889 -0.345 0.216) 2.918 2.468 ( 1.720 -0.651 0.408) 1.883 2.487 ( -2.178 -1.676 -0.941) 2.905 2.554 ( -1.081 1.711 1.668) 2.623 2.580 ( -1.399 -0.541 -0.536) 1.593 2.704 ( -0.465 -1.386 -0.785) 1.660 2.717 ( 0.799 -2.588 -1.584) 3.138 2.993 ( -1.494 0.764 0.155) 1.686 3.015 ( 1.086 -1.541 -1.789) 2.599 3.049 ( 0.095 1.286 -0.674) 1.455 3.060 ( -0.196 0.478 -1.494) 1.581 3.405 ( -0.104 1.439 1.379) 1.995 3.431 ( 0.418 -0.752 0.888) 1.236 3.453 ( 0.456 0.184 -1.658) 1.730 3.477 ( -0.020 -1.291 -2.298) 2.636 3.722 ( 3.126 3.679 1.508) 5.058 3.739 ( -2.230 1.795 0.309) 2.880 3.798 ( 0.193 -1.744 2.874) 3.367 3.815 ( -0.085 -3.268 1.267) 3.506 3.994 ( 0.809 0.729 -0.723) 1.307 4.002 ( 0.221 0.227 -1.176) 1.218 4.208 ( -0.023 -0.464 -0.447) 0.644 4.219 ( -1.155 -1.384 -1.367) 2.263 4.367 ( 0.048 0.894 0.840) 1.228 4.379 ( -0.142 -0.416 -0.305) 0.535 4.814 ( 0.107 0.084 -0.034) 0.141 4.822 ( -0.586 -0.719 -0.816) 1.235 6.217 ( 0.077 -0.168 0.169) 0.251 6.218 ( 0.029 -0.308 0.056) 0.314 8.172 ( 0.138 -0.363 0.022) 0.389 8.178 ( 0.102 -0.955 -0.475) 1.071 12.592 ( 0.374 0.688 1.983) 2.132 12.606 ( -0.124 -0.798 2.230) 2.372 12.640 ( -0.536 1.122 -2.169) 2.500 12.661 ( -0.093 -1.023 -2.556) 2.755 13.034 ( -1.801 1.983 1.493) 3.067 13.042 ( -1.229 1.209 1.045) 2.017 13.098 ( 0.925 1.232 -1.009) 1.842 13.109 ( 1.967 0.248 -1.623) 2.562 13.753 ( 0.063 0.901 0.452) 1.010 13.760 ( 0.146 0.245 -0.116) 0.308 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.956 5.003 -5.770) 7.696 0.895 ( 1.141 3.090 5.124) 6.091 0.956 ( 1.711 -2.685 3.217) 4.527 0.966 ( 4.527 -3.515 0.546) 5.758 1.167 ( -0.906 2.516 6.198) 6.750 1.224 ( -1.086 -3.261 5.537) 6.517 1.313 ( -2.464 5.146 -1.576) 5.919 1.424 ( -0.212 -5.092 -3.372) 6.111 1.661 ( 0.697 0.059 0.212) 0.731 1.700 ( 2.421 -3.353 -3.682) 5.537 1.843 ( -2.389 3.192 -1.791) 4.371 1.863 ( -1.711 1.260 2.560) 3.327 1.963 ( -3.167 0.865 -2.369) 4.048 1.971 ( -4.489 -0.118 1.547) 4.750 2.070 ( 2.003 3.779 -3.612) 5.598 2.170 ( -3.629 -0.985 -2.649) 4.600 2.179 ( 3.900 -2.491 -1.399) 4.835 2.226 ( -1.225 -2.107 4.110) 4.778 2.355 ( -2.768 3.038 -1.693) 4.445 2.416 ( -3.378 -2.044 -0.718) 4.013 2.474 ( 1.692 2.667 0.772) 3.251 2.534 ( -0.667 -1.761 3.022) 3.561 2.550 ( 1.553 0.624 0.523) 1.753 2.557 ( -0.391 -0.459 -0.148) 0.621 2.689 ( 0.708 1.858 0.102) 1.991 2.762 ( 2.257 -4.858 -0.556) 5.386 2.983 ( 0.993 1.934 1.265) 2.515 3.013 ( 1.237 -1.562 -0.117) 1.996 3.071 ( 2.106 1.438 0.227) 2.560 3.083 ( 3.214 0.603 0.243) 3.279 3.415 ( -0.237 1.674 -0.467) 1.754 3.434 ( 0.057 0.328 -0.441) 0.553 3.456 ( 0.564 -1.054 -1.280) 1.751 3.469 ( 1.288 -1.642 1.112) 2.364 3.690 ( -2.227 2.988 -1.485) 4.012 3.749 ( -2.498 -3.144 -0.971) 4.132 3.802 ( 2.255 3.498 1.123) 4.310 3.866 ( 2.494 -2.299 -0.566) 3.439 3.970 ( -1.702 0.645 -0.531) 1.896 3.990 ( -0.929 -0.775 -0.690) 1.393 4.213 ( 1.239 0.367 0.715) 1.477 4.238 ( 2.403 -1.884 1.015) 3.218 4.360 ( -1.316 0.785 -0.153) 1.540 4.371 ( -0.789 -0.387 0.219) 0.905 4.808 ( -0.212 0.803 0.199) 0.854 4.830 ( 0.986 -1.429 0.556) 1.823 6.213 ( -0.416 0.113 -0.092) 0.441 6.220 ( 0.011 -0.622 -0.075) 0.626 8.170 ( -0.225 -0.277 -0.182) 0.400 8.177 ( 0.209 -1.068 -0.134) 1.096 12.606 ( -0.104 1.079 -1.273) 1.672 12.620 ( -0.033 -0.213 0.415) 0.468 12.637 ( 1.086 0.365 1.115) 1.599 12.654 ( 1.389 -1.204 0.341) 1.870 13.003 ( -3.171 2.597 1.382) 4.326 13.028 ( -2.134 -0.034 1.438) 2.574 13.118 ( 2.491 2.031 -1.183) 3.425 13.135 ( 3.114 0.248 -1.424) 3.433 13.756 ( -0.135 0.639 -0.035) 0.654 13.758 ( -0.028 0.457 -0.314) 0.556 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.695 8.968 -5.046) 10.314 0.949 ( 0.458 -3.522 -0.005) 3.552 1.034 ( 3.822 1.783 4.126) 5.900 1.075 ( 2.266 -1.696 4.192) 5.058 1.208 ( -5.443 0.621 5.222) 7.568 1.241 ( -2.395 -1.465 3.186) 4.246 1.307 ( 2.657 3.078 0.790) 4.142 1.375 ( -2.741 -3.316 1.166) 4.457 1.641 ( -1.348 0.675 -1.629) 2.220 1.678 ( 0.881 -3.304 -3.913) 5.197 1.759 ( -2.179 1.682 -2.025) 3.417 1.814 ( -5.228 -3.105 -4.090) 7.328 1.907 ( 0.707 3.740 1.074) 3.954 1.970 ( 0.902 -2.847 3.503) 4.604 2.076 ( 4.165 3.940 -4.071) 7.031 2.132 ( -1.920 3.671 1.135) 4.295 2.196 ( 2.645 -4.917 -3.891) 6.805 2.241 ( -2.950 -4.511 2.861) 6.102 2.311 ( 0.008 3.006 -2.194) 3.721 2.356 ( -2.526 -0.889 -0.302) 2.695 2.442 ( -3.315 2.977 -1.322) 4.648 2.506 ( -3.305 -1.488 0.917) 3.739 2.592 ( 1.840 1.860 0.794) 2.734 2.600 ( 3.129 -1.002 -0.790) 3.380 2.706 ( 0.255 0.904 1.755) 1.991 2.751 ( -2.064 -3.221 0.343) 3.841 3.043 ( 3.825 2.042 -0.223) 4.342 3.064 ( 3.717 -0.136 0.093) 3.720 3.131 ( 4.163 2.764 2.425) 5.555 3.158 ( 3.988 0.161 2.402) 4.658 3.392 ( -0.971 0.206 -1.300) 1.636 3.402 ( -1.364 -0.739 -1.764) 2.349 3.474 ( 1.104 1.025 0.122) 1.512 3.514 ( 1.455 -1.928 2.094) 3.196 3.637 ( -1.520 2.246 -2.315) 3.566 3.682 ( -2.431 -2.864 -2.796) 4.683 3.823 ( 1.172 3.227 -3.648) 5.010 3.886 ( 1.677 -2.126 -1.497) 3.093 3.940 ( -2.158 1.393 1.270) 2.865 3.992 ( -0.043 -3.130 3.075) 4.387 4.248 ( 1.455 1.926 0.470) 2.459 4.287 ( 1.984 -1.800 0.743) 2.780 4.335 ( -1.341 1.112 -0.053) 1.743 4.357 ( -1.370 -1.199 0.695) 1.949 4.814 ( 0.178 1.703 0.513) 1.788 4.853 ( 0.763 -2.297 0.556) 2.483 6.204 ( -0.491 0.409 -0.058) 0.641 6.217 ( -0.144 -0.956 -0.185) 0.984 8.165 ( -0.123 0.073 0.051) 0.152 8.179 ( 0.139 -1.419 0.078) 1.428 12.598 ( 0.804 1.240 -1.012) 1.791 12.619 ( 0.809 -0.990 -0.895) 1.561 12.674 ( 0.962 0.600 1.487) 1.870 12.687 ( 0.880 -0.892 1.447) 1.914 12.974 ( -2.595 3.434 1.941) 4.722 13.013 ( -1.864 -0.726 1.741) 2.652 13.142 ( 2.206 2.741 -1.663) 3.892 13.168 ( 2.741 -0.001 -1.668) 3.209 13.749 ( -0.062 0.666 -0.640) 0.926 13.753 ( -0.128 0.189 -0.270) 0.353 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.320 8.939 -3.723) 9.689 0.904 ( -2.779 -6.632 -2.940) 7.769 1.114 ( 1.299 3.888 2.262) 4.682 1.143 ( 1.819 0.754 1.728) 2.620 1.172 ( -4.906 -1.060 3.808) 6.300 1.201 ( -1.112 -2.828 -1.211) 3.271 1.347 ( -2.424 1.257 2.373) 3.618 1.369 ( -2.022 -1.197 3.813) 4.479 1.610 ( -3.590 0.529 2.460) 4.384 1.641 ( -0.400 -2.886 -1.676) 3.361 1.745 ( 1.673 0.498 -0.110) 1.749 1.769 ( 3.460 -0.919 -0.583) 3.628 1.955 ( 0.976 5.144 2.711) 5.896 2.026 ( 0.331 -1.898 1.533) 2.462 2.079 ( 1.218 4.781 -3.114) 5.834 2.121 ( 2.061 2.939 -1.026) 3.734 2.182 ( -3.612 -4.996 -0.209) 6.168 2.213 ( 2.377 -5.894 -2.334) 6.770 2.277 ( -1.877 1.092 -2.584) 3.375 2.323 ( -1.077 -3.448 -0.907) 3.724 2.391 ( -1.343 5.889 0.331) 6.049 2.473 ( -0.645 -1.145 -0.963) 1.629 2.607 ( -0.540 2.796 1.171) 3.079 2.625 ( 1.498 0.330 -1.714) 2.300 2.741 ( -0.985 -2.284 2.693) 3.666 2.752 ( 2.659 -2.807 1.668) 4.211 3.084 ( 2.246 2.699 -1.043) 3.663 3.112 ( 2.313 0.297 -0.314) 2.353 3.236 ( 3.849 2.837 2.289) 5.301 3.245 ( 2.626 2.078 1.619) 3.720 3.353 ( -1.532 0.694 -0.402) 1.729 3.385 ( 0.376 -2.299 0.314) 2.351 3.489 ( 1.320 2.469 -0.653) 2.875 3.537 ( -0.092 -1.223 0.053) 1.227 3.600 ( -0.887 -1.008 -1.105) 1.739 3.622 ( -0.407 -1.826 -2.563) 3.173 3.786 ( -0.257 2.867 -3.518) 4.545 3.849 ( -0.836 -3.982 -4.010) 5.713 3.963 ( -0.286 3.107 3.933) 5.020 4.027 ( -0.160 -3.140 2.570) 4.061 4.267 ( 0.758 2.262 -0.076) 2.387 4.314 ( 0.603 -1.697 0.073) 1.802 4.322 ( -0.150 0.492 0.262) 0.578 4.347 ( -1.120 -1.501 1.232) 2.242 4.819 ( -0.070 1.692 0.132) 1.699 4.860 ( -0.171 -2.389 -0.401) 2.429 6.198 ( -0.302 0.574 0.194) 0.677 6.213 ( -0.129 -0.981 -0.133) 0.998 8.168 ( 0.117 0.202 0.480) 0.534 8.184 ( 0.200 -1.463 0.235) 1.495 12.607 ( 1.177 1.177 -0.388) 1.709 12.627 ( 1.163 -0.980 -0.662) 1.659 12.695 ( 0.107 0.486 0.696) 0.856 12.706 ( -0.123 -0.741 0.714) 1.037 12.968 ( -1.588 3.914 3.050) 5.210 13.011 ( -1.174 -0.724 2.457) 2.818 13.149 ( 1.557 3.139 -2.496) 4.302 13.181 ( 1.753 -0.217 -2.525) 3.082 13.742 ( 0.143 0.609 -0.656) 0.907 13.748 ( -0.070 -0.018 -0.407) 0.413 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 2.273 4.980 0.669) 5.515 0.835 ( -2.917 -4.239 -1.204) 5.285 1.123 ( -1.155 1.101 0.713) 1.747 1.159 ( -0.224 -1.471 -0.099) 1.491 1.174 ( -2.793 -0.251 5.184) 5.894 1.200 ( 1.069 0.049 0.847) 1.365 1.300 ( -2.028 2.429 -0.539) 3.210 1.363 ( -1.834 -3.766 -0.170) 4.193 1.601 ( -2.148 1.965 4.721) 5.546 1.657 ( 2.523 -3.350 1.103) 4.336 1.784 ( 2.412 3.516 -0.644) 4.312 1.816 ( 2.089 0.162 -0.839) 2.257 1.934 ( -4.272 3.984 0.426) 5.857 2.001 ( -2.077 -1.665 -2.396) 3.581 2.112 ( 2.305 0.924 0.158) 2.488 2.131 ( -0.185 -1.098 -1.222) 1.653 2.141 ( -0.067 -0.250 -0.116) 0.284 2.192 ( -3.054 -4.727 -1.230) 5.761 2.255 ( 4.169 4.445 -0.005) 6.094 2.342 ( 0.441 0.865 1.573) 1.848 2.387 ( 2.385 -1.096 -0.734) 2.726 2.448 ( -1.333 -1.197 -1.569) 2.381 2.597 ( -2.903 3.347 1.689) 4.742 2.630 ( 1.905 2.691 -2.164) 3.944 2.766 ( -0.459 -3.120 2.957) 4.323 2.815 ( 3.447 -5.415 -0.319) 6.427 3.098 ( 0.564 3.036 -0.160) 3.092 3.130 ( 0.057 0.542 0.051) 0.548 3.252 ( -1.131 2.628 -0.142) 2.864 3.291 ( 1.003 -0.252 0.032) 1.035 3.357 ( 0.937 3.039 0.720) 3.260 3.395 ( -0.227 0.239 -0.305) 0.449 3.512 ( 2.781 1.014 -0.403) 2.987 3.547 ( 0.586 -1.358 0.673) 1.625 3.575 ( -0.190 0.082 -0.527) 0.566 3.604 ( -0.352 -1.717 -1.102) 2.070 3.749 ( -0.279 1.834 -1.456) 2.359 3.795 ( -0.811 -3.116 -2.884) 4.323 3.996 ( -0.179 1.971 2.598) 3.266 4.039 ( -0.551 -1.851 0.625) 2.030 4.273 ( -0.012 1.348 0.263) 1.373 4.310 ( -0.200 -1.421 -0.998) 1.748 4.334 ( 0.620 -0.421 0.788) 1.087 4.349 ( -0.474 -1.648 1.042) 2.007 4.817 ( -0.193 0.863 0.090) 0.888 4.842 ( -0.622 -1.751 -1.074) 2.146 6.199 ( -0.014 0.495 0.388) 0.629 6.210 ( -0.049 -0.634 -0.167) 0.658 8.178 ( 0.208 0.040 0.659) 0.693 8.190 ( 0.165 -1.159 0.106) 1.175 12.623 ( 0.760 0.976 0.108) 1.242 12.636 ( 0.413 -0.425 -0.396) 0.713 12.697 ( -0.282 0.062 0.214) 0.359 12.703 ( -0.418 -0.632 -0.049) 0.759 12.988 ( -1.016 4.007 3.914) 5.693 13.028 ( -0.623 -0.158 2.813) 2.886 13.137 ( 0.966 2.876 -2.930) 4.218 13.168 ( 0.862 -0.258 -3.270) 3.392 13.739 ( 0.286 0.378 -0.467) 0.666 13.742 ( -0.061 0.074 -0.408) 0.420 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -5.966 2.536 0.789) 6.530 0.795 ( 0.256 -3.033 1.875) 3.575 1.109 ( -5.187 -0.313 2.280) 5.675 1.123 ( -1.891 -1.801 1.699) 3.115 1.192 ( -0.167 3.415 0.843) 3.522 1.221 ( 0.703 0.373 1.756) 1.928 1.315 ( 2.027 0.659 -0.370) 2.163 1.365 ( 5.336 -3.942 -0.983) 6.706 1.629 ( -0.518 4.179 2.522) 4.909 1.703 ( 3.471 -3.278 -2.798) 5.534 1.790 ( -2.204 3.233 -0.617) 3.962 1.817 ( 0.420 1.810 -0.820) 2.031 1.921 ( 1.179 1.875 2.860) 3.617 1.943 ( -0.391 -1.412 -1.255) 1.929 2.104 ( -2.654 0.600 0.726) 2.816 2.125 ( -0.825 -1.956 -0.107) 2.126 2.139 ( -0.621 -1.092 -0.021) 1.256 2.170 ( 2.680 -3.637 0.574) 4.554 2.291 ( -3.323 4.951 -1.997) 6.288 2.366 ( 5.210 5.606 -0.249) 7.657 2.385 ( -3.537 -4.508 -1.180) 5.850 2.450 ( 3.387 -2.758 -0.790) 4.438 2.565 ( -3.792 5.192 2.640) 6.950 2.636 ( 1.725 2.102 -1.347) 3.035 2.778 ( -1.632 -3.946 1.812) 4.639 2.840 ( 1.834 -6.218 -3.149) 7.207 3.093 ( -2.437 3.597 1.537) 4.609 3.126 ( -0.010 0.881 -0.030) 0.882 3.243 ( -1.408 1.265 2.325) 2.999 3.281 ( -0.359 -1.426 -1.754) 2.288 3.377 ( 0.282 2.536 -0.135) 2.555 3.387 ( 1.056 1.570 -0.439) 1.943 3.536 ( -1.146 1.043 -1.925) 2.471 3.552 ( 1.079 -0.322 0.175) 1.140 3.576 ( -0.835 0.430 -0.356) 1.004 3.586 ( 0.360 -0.604 0.425) 0.822 3.752 ( 0.548 -0.984 0.492) 1.229 3.758 ( -0.066 -1.488 -1.645) 2.219 4.024 ( 0.613 0.870 1.734) 2.035 4.034 ( 0.304 0.010 -0.763) 0.822 4.279 ( -0.351 -0.172 1.202) 1.264 4.291 ( -0.278 -1.259 -1.097) 1.693 4.346 ( -0.534 -0.551 0.037) 0.768 4.355 ( 0.751 -1.413 0.443) 1.660 4.818 ( -0.345 0.074 0.401) 0.535 4.829 ( 0.513 -1.043 -0.298) 1.200 6.205 ( 0.126 0.118 0.304) 0.349 6.207 ( 0.061 -0.121 -0.304) 0.333 8.187 ( 0.028 -0.355 0.354) 0.502 8.190 ( -0.001 -0.663 -0.303) 0.729 12.625 ( -1.062 0.421 0.048) 1.144 12.629 ( -0.663 0.136 0.054) 0.679 12.695 ( -0.060 0.196 0.309) 0.371 12.705 ( 0.809 -0.822 -0.167) 1.165 13.016 ( -1.097 3.863 3.667) 5.438 13.044 ( -0.367 1.290 0.933) 1.634 13.123 ( 0.459 1.432 -1.172) 1.906 13.141 ( 0.460 -0.067 -3.084) 3.119 13.736 ( -0.135 0.437 -0.233) 0.513 13.740 ( 0.322 0.010 -0.271) 0.421 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -3.911 7.424 2.635) 8.795 0.814 ( -1.517 -7.502 4.575) 8.917 1.054 ( -5.510 3.506 4.982) 8.214 1.129 ( -0.738 -4.348 2.976) 5.320 1.193 ( -0.028 4.955 -1.110) 5.078 1.253 ( 2.354 -0.513 -0.240) 2.421 1.383 ( 5.734 2.221 -0.950) 6.222 1.423 ( 3.293 -2.345 -1.899) 4.467 1.626 ( -1.106 3.623 -0.259) 3.797 1.697 ( -1.273 -2.455 -3.941) 4.814 1.769 ( 3.081 -0.961 -1.127) 3.419 1.788 ( -1.424 -1.278 -2.227) 2.935 1.950 ( -3.934 6.567 3.221) 8.305 1.989 ( 3.142 2.680 1.838) 4.520 2.061 ( -2.006 1.237 -0.384) 2.388 2.101 ( -1.865 1.140 0.866) 2.352 2.158 ( -0.060 -4.460 1.117) 4.598 2.195 ( -1.058 -4.780 -0.662) 4.940 2.254 ( 2.300 0.895 -0.336) 2.491 2.323 ( 0.524 -5.275 -0.445) 5.319 2.428 ( 3.120 5.170 -2.008) 6.364 2.453 ( -0.439 2.115 -0.641) 2.253 2.552 ( -2.565 3.278 4.119) 5.856 2.649 ( 0.854 -1.677 -1.046) 2.153 2.759 ( -1.759 -2.544 0.443) 3.125 2.812 ( 0.187 -4.247 -3.782) 5.690 3.068 ( -2.026 3.713 0.937) 4.332 3.117 ( -1.656 -0.197 0.028) 1.668 3.234 ( -2.374 1.650 1.317) 3.177 3.264 ( -2.071 -1.105 0.541) 2.409 3.365 ( 0.495 2.212 -1.382) 2.655 3.405 ( 0.476 -1.392 -0.920) 1.735 3.489 ( -0.642 4.278 -1.672) 4.638 3.551 ( -0.064 -1.479 -0.700) 1.637 3.567 ( 0.307 0.460 0.687) 0.882 3.604 ( 0.465 -2.728 0.425) 2.800 3.742 ( -0.055 1.332 0.042) 1.334 3.782 ( 0.465 -3.048 2.086) 3.722 4.026 ( 0.567 1.697 -1.956) 2.651 4.050 ( 0.568 -0.430 0.465) 0.851 4.269 ( -0.891 0.474 -0.230) 1.035 4.295 ( -0.367 -1.986 1.221) 2.360 4.335 ( -0.064 1.204 -0.502) 1.306 4.367 ( 0.720 -2.129 -0.396) 2.282 4.818 ( 0.134 0.991 0.221) 1.024 4.847 ( 0.909 -1.903 0.684) 2.217 6.204 ( 0.131 0.268 -0.333) 0.447 6.210 ( 0.152 -0.396 0.131) 0.444 8.181 ( -0.199 -0.123 -0.616) 0.659 8.189 ( -0.052 -0.909 -0.114) 0.917 12.601 ( -1.652 0.544 0.133) 1.745 12.612 ( -1.639 -0.594 0.552) 1.829 12.702 ( 0.348 0.710 0.098) 0.797 12.718 ( 0.823 -0.872 -0.274) 1.230 13.023 ( -0.675 3.522 0.033) 3.586 13.041 ( -0.207 1.935 -0.009) 1.946 13.120 ( 0.267 0.798 -1.083) 1.371 13.129 ( -0.342 0.045 1.185) 1.234 13.733 ( -0.071 0.808 0.058) 0.813 13.744 ( 0.302 -0.274 -0.071) 0.413 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.091 9.552 5.413) 10.980 0.868 ( -0.896 -7.608 6.773) 10.225 1.042 ( -4.168 4.549 5.636) 8.357 1.133 ( -0.885 -3.087 -0.440) 3.241 1.198 ( 1.492 4.955 0.667) 5.217 1.280 ( 2.435 -0.784 -1.588) 3.011 1.415 ( 0.659 1.666 -5.443) 5.730 1.450 ( 2.917 -1.441 -3.789) 4.994 1.595 ( -2.935 2.739 1.603) 4.323 1.637 ( -0.781 -0.915 0.601) 1.345 1.752 ( 0.960 0.630 -1.273) 1.715 1.806 ( 3.650 -5.175 -3.337) 7.158 1.881 ( -4.905 7.351 1.480) 8.961 2.016 ( -2.437 -3.695 -0.022) 4.427 2.052 ( 0.417 1.160 -0.813) 1.476 2.090 ( -2.609 -1.172 3.751) 4.717 2.121 ( -1.107 2.214 1.252) 2.774 2.232 ( 2.135 -4.477 3.376) 6.000 2.303 ( 2.825 1.671 -0.356) 3.302 2.361 ( 2.949 -3.588 -0.417) 4.663 2.446 ( 2.833 4.553 -1.953) 5.708 2.481 ( 2.269 1.376 2.052) 3.354 2.557 ( -2.194 0.256 3.114) 3.818 2.632 ( -0.941 -3.805 -1.457) 4.181 2.745 ( 0.317 0.040 -0.989) 1.040 2.777 ( 0.041 -1.493 -2.234) 2.687 3.044 ( -1.824 2.279 -0.108) 2.921 3.075 ( -2.339 -0.366 -1.073) 2.599 3.177 ( -5.013 2.071 -1.364) 5.592 3.202 ( -4.038 -0.325 -1.168) 4.216 3.378 ( 1.577 0.041 0.120) 1.582 3.385 ( -0.185 -0.898 -0.795) 1.214 3.482 ( 0.180 3.699 -0.716) 3.772 3.552 ( 0.899 -2.454 -1.121) 2.844 3.606 ( 0.960 -0.575 0.700) 1.320 3.617 ( 2.216 -0.789 2.415) 3.371 3.748 ( -1.001 2.619 2.381) 3.678 3.814 ( -0.639 -4.486 3.464) 5.704 4.004 ( 0.412 2.473 -2.927) 3.854 4.047 ( -0.168 -1.808 -1.523) 2.370 4.250 ( -1.173 1.740 -0.043) 2.099 4.289 ( -1.360 -2.002 0.389) 2.451 4.339 ( 0.709 1.736 -0.156) 1.881 4.373 ( 0.836 -1.908 -0.626) 2.176 4.822 ( 0.127 1.595 -0.167) 1.608 4.861 ( 0.137 -2.326 -0.100) 2.333 6.205 ( 0.296 0.285 -0.124) 0.429 6.213 ( 0.072 -0.658 0.144) 0.677 8.172 ( -0.044 0.120 -0.533) 0.548 8.185 ( -0.014 -1.264 -0.346) 1.310 12.580 ( -1.402 0.640 0.629) 1.665 12.594 ( -1.560 -0.991 1.111) 2.156 12.700 ( -0.207 0.967 -0.819) 1.284 12.719 ( 0.137 -0.947 -1.172) 1.513 13.013 ( 0.641 3.430 -1.117) 3.664 13.039 ( 0.099 0.876 -0.066) 0.884 13.116 ( -0.165 1.448 -0.084) 1.460 13.132 ( -1.306 0.008 1.284) 1.831 13.736 ( 0.110 1.025 0.406) 1.108 13.749 ( 0.332 -0.304 0.087) 0.459 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.656 8.676 4.976) 10.023 0.886 ( -3.838 -3.927 3.146) 6.328 1.013 ( -3.010 3.769 -1.054) 4.937 1.115 ( 0.371 -5.788 -2.774) 6.429 1.200 ( -4.026 7.011 1.005) 8.147 1.293 ( -1.883 -2.444 -3.875) 4.954 1.341 ( 2.715 1.915 -1.651) 3.710 1.402 ( -0.322 -3.872 -3.876) 5.489 1.610 ( 0.813 2.612 2.690) 3.837 1.688 ( 1.766 -4.859 0.189) 5.174 1.777 ( 1.555 4.610 2.115) 5.306 1.825 ( -0.300 2.896 4.805) 5.618 1.892 ( 2.244 -0.681 2.734) 3.602 2.003 ( 1.357 -7.322 2.835) 7.968 2.046 ( 1.717 1.784 -2.367) 3.425 2.078 ( -0.857 -2.538 1.178) 2.926 2.170 ( 0.788 8.515 3.263) 9.153 2.300 ( 1.441 -1.930 3.501) 4.249 2.318 ( 1.233 0.397 -3.203) 3.455 2.402 ( 2.673 -3.929 0.003) 4.752 2.470 ( 0.505 3.789 -0.341) 3.837 2.531 ( -0.045 -1.110 1.050) 1.528 2.543 ( -1.688 0.834 1.388) 2.339 2.601 ( -0.110 -3.163 -1.698) 3.592 2.721 ( -0.593 1.472 -2.520) 2.978 2.763 ( -1.352 -2.306 -0.370) 2.698 3.008 ( -0.903 1.141 -1.248) 1.917 3.030 ( -0.940 -0.692 -1.530) 1.925 3.087 ( -2.950 2.113 -1.519) 3.934 3.117 ( -3.571 -0.898 -2.079) 4.228 3.390 ( 0.446 0.996 0.696) 1.295 3.408 ( 0.947 -0.945 1.149) 1.764 3.471 ( -0.068 1.456 -1.251) 1.921 3.518 ( -1.222 -2.337 -3.048) 4.030 3.652 ( 2.856 3.229 1.688) 4.630 3.703 ( 3.544 -2.437 2.965) 5.224 3.763 ( -1.677 2.787 3.666) 4.901 3.826 ( -2.515 -3.687 3.055) 5.408 3.989 ( 1.501 1.312 -2.128) 2.916 4.017 ( -0.219 -1.690 -2.438) 2.974 4.230 ( -1.192 1.535 -0.417) 1.988 4.261 ( -1.819 -1.579 -0.832) 2.548 4.351 ( 0.686 1.593 0.420) 1.784 4.379 ( 0.548 -1.379 -0.416) 1.542 4.817 ( -0.056 1.215 -0.563) 1.340 4.848 ( -0.837 -1.837 -0.993) 2.250 6.210 ( 0.366 0.098 0.112) 0.395 6.216 ( 0.040 -0.587 0.237) 0.634 8.169 ( 0.202 0.004 -0.202) 0.286 8.181 ( 0.078 -1.268 -0.414) 1.336 12.574 ( -0.555 0.718 1.324) 1.605 12.590 ( -0.847 -1.076 1.746) 2.219 12.676 ( -0.779 1.078 -1.856) 2.283 12.695 ( -0.484 -0.914 -2.234) 2.462 13.023 ( 1.156 2.902 -0.023) 3.124 13.044 ( 0.087 0.728 0.481) 0.876 13.108 ( -0.202 0.982 -0.651) 1.195 13.115 ( -1.477 0.425 0.060) 1.539 13.745 ( 0.195 1.053 0.586) 1.221 13.756 ( 0.317 -0.078 0.107) 0.343 =================== 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 3/18900 10.0 2.692 2.714 7.089 0.000 -1.964 0.000 3/18900 20.0 0.912 0.986 2.239 0.000 -0.562 0.000 3/18900 30.0 0.566 0.613 1.268 0.000 -0.306 0.000 3/18900 40.0 0.420 0.457 0.890 0.000 -0.207 0.000 3/18900 50.0 0.338 0.370 0.693 0.000 -0.155 0.000 3/18900 60.0 0.285 0.313 0.570 0.000 -0.124 0.000 3/18900 70.0 0.246 0.273 0.487 0.000 -0.103 0.000 3/18900 80.0 0.218 0.244 0.426 0.000 -0.089 0.000 3/18900 90.0 0.196 0.222 0.380 0.000 -0.078 0.000 3/18900 100.0 0.178 0.205 0.344 0.000 -0.069 0.000 3/18900 110.0 0.164 0.192 0.315 0.000 -0.063 0.000 3/18900 120.0 0.152 0.181 0.290 0.000 -0.057 0.000 3/18900 130.0 0.142 0.172 0.270 0.000 -0.053 0.000 3/18900 140.0 0.133 0.164 0.253 0.000 -0.049 0.000 3/18900 150.0 0.125 0.157 0.238 0.000 -0.046 0.000 3/18900 160.0 0.119 0.152 0.225 0.000 -0.043 0.000 3/18900 170.0 0.113 0.146 0.213 0.000 -0.041 0.000 3/18900 180.0 0.108 0.141 0.203 0.000 -0.039 0.000 3/18900 190.0 0.103 0.137 0.194 0.000 -0.037 0.000 3/18900 200.0 0.098 0.133 0.185 0.000 -0.035 0.000 3/18900 210.0 0.094 0.129 0.177 0.000 -0.034 0.000 3/18900 220.0 0.091 0.125 0.170 0.000 -0.032 0.000 3/18900 230.0 0.087 0.121 0.164 0.000 -0.031 0.000 3/18900 240.0 0.084 0.118 0.158 0.000 -0.030 0.000 3/18900 250.0 0.081 0.115 0.152 0.000 -0.029 0.000 3/18900 260.0 0.078 0.112 0.147 0.000 -0.028 0.000 3/18900 270.0 0.076 0.109 0.142 0.000 -0.027 0.000 3/18900 280.0 0.073 0.106 0.138 0.000 -0.026 0.000 3/18900 290.0 0.071 0.103 0.133 0.000 -0.025 0.000 3/18900 300.0 0.069 0.101 0.129 0.000 -0.024 0.000 3/18900 310.0 0.067 0.098 0.125 0.000 -0.023 0.000 3/18900 320.0 0.065 0.096 0.122 0.000 -0.023 0.000 3/18900 330.0 0.063 0.094 0.119 0.000 -0.022 0.000 3/18900 340.0 0.062 0.091 0.115 0.000 -0.022 0.000 3/18900 350.0 0.060 0.089 0.112 0.000 -0.021 0.000 3/18900 360.0 0.059 0.087 0.109 0.000 -0.020 0.000 3/18900 370.0 0.057 0.086 0.107 0.000 -0.020 0.000 3/18900 380.0 0.056 0.084 0.104 0.000 -0.019 0.000 3/18900 390.0 0.054 0.082 0.102 0.000 -0.019 0.000 3/18900 400.0 0.053 0.080 0.099 0.000 -0.018 0.000 3/18900 410.0 0.052 0.079 0.097 0.000 -0.018 0.000 3/18900 420.0 0.051 0.077 0.095 0.000 -0.018 0.000 3/18900 430.0 0.050 0.076 0.093 0.000 -0.017 0.000 3/18900 440.0 0.049 0.074 0.091 0.000 -0.017 0.000 3/18900 450.0 0.048 0.073 0.089 0.000 -0.016 0.000 3/18900 460.0 0.047 0.071 0.087 0.000 -0.016 0.000 3/18900 470.0 0.046 0.070 0.085 0.000 -0.016 0.000 3/18900 480.0 0.045 0.069 0.084 0.000 -0.015 0.000 3/18900 490.0 0.044 0.068 0.082 0.000 -0.015 0.000 3/18900 500.0 0.043 0.066 0.080 0.000 -0.015 0.000 3/18900 510.0 0.042 0.065 0.079 0.000 -0.015 0.000 3/18900 520.0 0.042 0.064 0.077 0.000 -0.014 0.000 3/18900 530.0 0.041 0.063 0.076 0.000 -0.014 0.000 3/18900 540.0 0.040 0.062 0.075 0.000 -0.014 0.000 3/18900 550.0 0.039 0.061 0.073 0.000 -0.014 0.000 3/18900 560.0 0.039 0.060 0.072 0.000 -0.013 0.000 3/18900 570.0 0.038 0.059 0.071 0.000 -0.013 0.000 3/18900 580.0 0.037 0.058 0.070 0.000 -0.013 0.000 3/18900 590.0 0.037 0.057 0.069 0.000 -0.013 0.000 3/18900 600.0 0.036 0.056 0.068 0.000 -0.012 0.000 3/18900 610.0 0.036 0.056 0.066 0.000 -0.012 0.000 3/18900 620.0 0.035 0.055 0.065 0.000 -0.012 0.000 3/18900 630.0 0.035 0.054 0.064 0.000 -0.012 0.000 3/18900 640.0 0.034 0.053 0.063 0.000 -0.012 0.000 3/18900 650.0 0.034 0.052 0.063 0.000 -0.012 0.000 3/18900 660.0 0.033 0.052 0.062 0.000 -0.011 0.000 3/18900 670.0 0.033 0.051 0.061 0.000 -0.011 0.000 3/18900 680.0 0.032 0.050 0.060 0.000 -0.011 0.000 3/18900 690.0 0.032 0.050 0.059 0.000 -0.011 0.000 3/18900 700.0 0.031 0.049 0.058 0.000 -0.011 0.000 3/18900 710.0 0.031 0.048 0.057 0.000 -0.011 0.000 3/18900 720.0 0.030 0.048 0.057 0.000 -0.010 0.000 3/18900 730.0 0.030 0.047 0.056 0.000 -0.010 0.000 3/18900 740.0 0.030 0.047 0.055 0.000 -0.010 0.000 3/18900 750.0 0.029 0.046 0.054 0.000 -0.010 0.000 3/18900 760.0 0.029 0.045 0.054 0.000 -0.010 0.000 3/18900 770.0 0.028 0.045 0.053 0.000 -0.010 0.000 3/18900 780.0 0.028 0.044 0.052 0.000 -0.010 0.000 3/18900 790.0 0.028 0.044 0.052 0.000 -0.010 0.000 3/18900 800.0 0.027 0.043 0.051 0.000 -0.009 0.000 3/18900 810.0 0.027 0.043 0.050 0.000 -0.009 0.000 3/18900 820.0 0.027 0.042 0.050 0.000 -0.009 0.000 3/18900 830.0 0.026 0.042 0.049 0.000 -0.009 0.000 3/18900 840.0 0.026 0.041 0.049 0.000 -0.009 0.000 3/18900 850.0 0.026 0.041 0.048 0.000 -0.009 0.000 3/18900 860.0 0.026 0.040 0.048 0.000 -0.009 0.000 3/18900 870.0 0.025 0.040 0.047 0.000 -0.009 0.000 3/18900 880.0 0.025 0.040 0.047 0.000 -0.009 0.000 3/18900 890.0 0.025 0.039 0.046 0.000 -0.008 0.000 3/18900 900.0 0.024 0.039 0.046 0.000 -0.008 0.000 3/18900 910.0 0.024 0.038 0.045 0.000 -0.008 0.000 3/18900 920.0 0.024 0.038 0.045 0.000 -0.008 0.000 3/18900 930.0 0.024 0.038 0.044 0.000 -0.008 0.000 3/18900 940.0 0.023 0.037 0.044 0.000 -0.008 0.000 3/18900 950.0 0.023 0.037 0.043 0.000 -0.008 0.000 3/18900 960.0 0.023 0.036 0.043 0.000 -0.008 0.000 3/18900 970.0 0.023 0.036 0.042 0.000 -0.008 0.000 3/18900 980.0 0.023 0.036 0.042 0.000 -0.008 0.000 3/18900 990.0 0.022 0.035 0.041 0.000 -0.008 0.000 3/18900 1000.0 0.022 0.035 0.041 0.000 -0.008 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:56:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|