----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 5.560424870000000 Atomic positions (fractional): *1 Ho 0.33333333333333 0.66666666666667 0.75000000000000 164.930 2 Ho 0.66666666666667 0.33333333333333 0.25000000000000 164.930 *3 Cl 0.29496086770356 0.38947904285037 0.25000000000000 35.453 4 Cl 0.61052095714963 0.90548182485319 0.25000000000000 35.453 5 Cl 0.09451817514681 0.70503913229644 0.25000000000000 35.453 6 Cl 0.90548182485319 0.29496086770356 0.75000000000000 35.453 7 Cl 0.38947904285037 0.09451817514681 0.75000000000000 35.453 8 Cl 0.70503913229644 0.61052095714963 0.75000000000000 35.453 *9 O 0.19281253680782 0.21394381998008 0.25000000000000 15.999 *10 O 0.52705531502022 0.55467758216089 0.75000000000000 15.999 *11 O 0.25789564093674 0.46054566789903 0.03872234714421 15.999 12 O 0.25789564093674 0.46054566789903 0.46127765285579 15.999 13 O 0.02762226714066 0.47294468497978 0.75000000000000 15.999 14 O 0.53945433210097 0.79734997303771 0.46127765285579 15.999 15 O 0.53945433210097 0.79734997303771 0.03872234714421 15.999 16 O 0.78605618001992 0.97886871682774 0.25000000000000 15.999 17 O 0.20265002696229 0.74210435906326 0.03872234714421 15.999 18 O 0.20265002696229 0.74210435906326 0.46127765285579 15.999 19 O 0.97886871682774 0.19281253680782 0.75000000000000 15.999 20 O 0.55467758216089 0.02762226714066 0.25000000000000 15.999 21 O 0.44532241783912 0.97237773285934 0.75000000000000 15.999 22 O 0.02113128317226 0.80718746319218 0.25000000000000 15.999 23 O 0.79734997303771 0.25789564093674 0.53872234714421 15.999 24 O 0.79734997303771 0.25789564093674 0.96127765285579 15.999 25 O 0.21394381998008 0.02113128317226 0.75000000000000 15.999 26 O 0.46054566789903 0.20265002696229 0.96127765285579 15.999 27 O 0.46054566789903 0.20265002696229 0.53872234714421 15.999 28 O 0.97237773285934 0.52705531502022 0.25000000000000 15.999 29 O 0.74210435906326 0.53945433210097 0.96127765285579 15.999 30 O 0.74210435906326 0.53945433210097 0.53872234714421 15.999 31 O 0.47294468497978 0.44532241783912 0.25000000000000 15.999 32 O 0.80718746319218 0.78605618001992 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 5.560424870000000 Atomic positions (fractional): *1 Ho 0.33333333333333 0.66666666666667 0.75000000000000 164.930 > 1 2 Ho 0.66666666666667 0.33333333333333 0.25000000000000 164.930 > 2 *3 Cl 0.29496086770356 0.38947904285037 0.25000000000000 35.453 > 3 4 Cl 0.61052095714963 0.90548182485319 0.25000000000000 35.453 > 4 5 Cl 0.09451817514681 0.70503913229644 0.25000000000000 35.453 > 5 6 Cl 0.90548182485319 0.29496086770356 0.75000000000000 35.453 > 6 7 Cl 0.38947904285037 0.09451817514681 0.75000000000000 35.453 > 7 8 Cl 0.70503913229644 0.61052095714963 0.75000000000000 35.453 > 8 *9 O 0.19281253680782 0.21394381998008 0.25000000000000 15.999 > 9 *10 O 0.52705531502022 0.55467758216089 0.75000000000000 15.999 > 10 *11 O 0.25789564093674 0.46054566789903 0.03872234714421 15.999 > 11 12 O 0.25789564093674 0.46054566789903 0.46127765285579 15.999 > 12 13 O 0.02762226714066 0.47294468497978 0.75000000000000 15.999 > 13 14 O 0.53945433210097 0.79734997303771 0.46127765285579 15.999 > 14 15 O 0.53945433210097 0.79734997303771 0.03872234714421 15.999 > 15 16 O 0.78605618001992 0.97886871682774 0.25000000000000 15.999 > 16 17 O 0.20265002696229 0.74210435906326 0.03872234714421 15.999 > 17 18 O 0.20265002696229 0.74210435906326 0.46127765285579 15.999 > 18 19 O 0.97886871682774 0.19281253680782 0.75000000000000 15.999 > 19 20 O 0.55467758216089 0.02762226714066 0.25000000000000 15.999 > 20 21 O 0.44532241783912 0.97237773285934 0.75000000000000 15.999 > 21 22 O 0.02113128317226 0.80718746319218 0.25000000000000 15.999 > 22 23 O 0.79734997303771 0.25789564093674 0.53872234714421 15.999 > 23 24 O 0.79734997303771 0.25789564093674 0.96127765285579 15.999 > 24 25 O 0.21394381998008 0.02113128317226 0.75000000000000 15.999 > 25 26 O 0.46054566789903 0.20265002696229 0.96127765285579 15.999 > 26 27 O 0.46054566789903 0.20265002696229 0.53872234714421 15.999 > 27 28 O 0.97237773285934 0.52705531502022 0.25000000000000 15.999 > 28 29 O 0.74210435906326 0.53945433210097 0.96127765285579 15.999 > 29 30 O 0.74210435906326 0.53945433210097 0.53872234714421 15.999 > 30 31 O 0.47294468497978 0.44532241783912 0.25000000000000 15.999 > 31 32 O 0.80718746319218 0.78605618001992 0.75000000000000 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 11.120849740000001 Atomic positions (fractional): *1 Ho 0.33333333333333 0.66666666666667 0.37500000000000 164.930 > 1 2 Ho 0.33333333333333 0.66666666666667 0.87500000000000 164.930 > 1 3 Ho 0.66666666666667 0.33333333333333 0.12500000000000 164.930 > 2 4 Ho 0.66666666666667 0.33333333333333 0.62500000000000 164.930 > 2 *5 Cl 0.29496086770356 0.38947904285037 0.12500000000000 35.453 > 3 6 Cl 0.29496086770356 0.38947904285037 0.62500000000000 35.453 > 3 7 Cl 0.61052095714963 0.90548182485319 0.12500000000000 35.453 > 4 8 Cl 0.61052095714963 0.90548182485319 0.62500000000000 35.453 > 4 9 Cl 0.09451817514681 0.70503913229644 0.12500000000000 35.453 > 5 10 Cl 0.09451817514681 0.70503913229644 0.62500000000000 35.453 > 5 11 Cl 0.90548182485319 0.29496086770356 0.37500000000000 35.453 > 6 12 Cl 0.90548182485319 0.29496086770356 0.87500000000000 35.453 > 6 13 Cl 0.38947904285037 0.09451817514681 0.37500000000000 35.453 > 7 14 Cl 0.38947904285037 0.09451817514681 0.87500000000000 35.453 > 7 15 Cl 0.70503913229644 0.61052095714963 0.37500000000000 35.453 > 8 16 Cl 0.70503913229644 0.61052095714963 0.87500000000000 35.453 > 8 *17 O 0.19281253680782 0.21394381998008 0.12500000000000 15.999 > 9 18 O 0.19281253680782 0.21394381998008 0.62500000000000 15.999 > 9 *19 O 0.52705531502022 0.55467758216089 0.37500000000000 15.999 > 10 20 O 0.52705531502022 0.55467758216089 0.87500000000000 15.999 > 10 *21 O 0.25789564093674 0.46054566789903 0.01936117357210 15.999 > 11 22 O 0.25789564093674 0.46054566789903 0.51936117357210 15.999 > 11 23 O 0.25789564093674 0.46054566789903 0.23063882642790 15.999 > 12 24 O 0.25789564093674 0.46054566789903 0.73063882642790 15.999 > 12 25 O 0.02762226714066 0.47294468497978 0.37500000000000 15.999 > 13 26 O 0.02762226714066 0.47294468497978 0.87500000000000 15.999 > 13 27 O 0.53945433210097 0.79734997303771 0.23063882642790 15.999 > 14 28 O 0.53945433210097 0.79734997303771 0.73063882642790 15.999 > 14 29 O 0.53945433210097 0.79734997303771 0.01936117357210 15.999 > 15 30 O 0.53945433210097 0.79734997303771 0.51936117357210 15.999 > 15 31 O 0.78605618001992 0.97886871682774 0.12500000000000 15.999 > 16 32 O 0.78605618001992 0.97886871682774 0.62500000000000 15.999 > 16 33 O 0.20265002696229 0.74210435906326 0.01936117357210 15.999 > 17 34 O 0.20265002696229 0.74210435906326 0.51936117357210 15.999 > 17 35 O 0.20265002696229 0.74210435906326 0.23063882642790 15.999 > 18 36 O 0.20265002696229 0.74210435906326 0.73063882642790 15.999 > 18 37 O 0.97886871682774 0.19281253680782 0.37500000000000 15.999 > 19 38 O 0.97886871682774 0.19281253680782 0.87500000000000 15.999 > 19 39 O 0.55467758216089 0.02762226714066 0.12500000000000 15.999 > 20 40 O 0.55467758216089 0.02762226714066 0.62500000000000 15.999 > 20 41 O 0.44532241783912 0.97237773285934 0.37500000000000 15.999 > 21 42 O 0.44532241783912 0.97237773285934 0.87500000000000 15.999 > 21 43 O 0.02113128317226 0.80718746319218 0.12500000000000 15.999 > 22 44 O 0.02113128317226 0.80718746319218 0.62500000000000 15.999 > 22 45 O 0.79734997303771 0.25789564093674 0.26936117357210 15.999 > 23 46 O 0.79734997303771 0.25789564093674 0.76936117357210 15.999 > 23 47 O 0.79734997303771 0.25789564093674 0.48063882642790 15.999 > 24 48 O 0.79734997303771 0.25789564093674 0.98063882642790 15.999 > 24 49 O 0.21394381998008 0.02113128317226 0.37500000000000 15.999 > 25 50 O 0.21394381998008 0.02113128317226 0.87500000000000 15.999 > 25 51 O 0.46054566789903 0.20265002696229 0.48063882642790 15.999 > 26 52 O 0.46054566789903 0.20265002696229 0.98063882642790 15.999 > 26 53 O 0.46054566789903 0.20265002696229 0.26936117357210 15.999 > 27 54 O 0.46054566789903 0.20265002696229 0.76936117357210 15.999 > 27 55 O 0.97237773285934 0.52705531502022 0.12500000000000 15.999 > 28 56 O 0.97237773285934 0.52705531502022 0.62500000000000 15.999 > 28 57 O 0.74210435906326 0.53945433210097 0.48063882642790 15.999 > 29 58 O 0.74210435906326 0.53945433210097 0.98063882642790 15.999 > 29 59 O 0.74210435906326 0.53945433210097 0.26936117357210 15.999 > 30 60 O 0.74210435906326 0.53945433210097 0.76936117357210 15.999 > 30 61 O 0.47294468497978 0.44532241783912 0.12500000000000 15.999 > 31 62 O 0.47294468497978 0.44532241783912 0.62500000000000 15.999 > 31 63 O 0.80718746319218 0.78605618001992 0.37500000000000 15.999 > 32 64 O 0.80718746319218 0.78605618001992 0.87500000000000 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6719875 -0.0000001 0.0000000 0.0000001 2.6719875 0.0000000 0.0000000 0.0000000 2.8694993 -------------------------- Born effective charges -------------------------- 1 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 2 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 3 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 4 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 5 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 6 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 7 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 8 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 9 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 10 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 11 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 12 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 13 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 14 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 15 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 16 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 17 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 18 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 19 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 20 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 21 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 22 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 23 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 24 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 25 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 26 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 27 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 28 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 29 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 30 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 31 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 32 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 ---------------------------------------------------------------------------- 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: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 810 Number of blocks in projector: 364 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (810, 784), data: False |-- (112, 107), data: True |-- (274, 270), data: True |-- (424, 407), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.447 Solver_block: 200 / 320 - Time: 0.450 Solver_block: 300 / 320 - Time: 0.449 Solver_block: 320 / 320 - Time: 0.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.472 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 810 Number of blocks in projector: 364 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (810, 784), data: False |-- (112, 107), data: True |-- (274, 270), data: True |-- (424, 407), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:06:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:06:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 5.560424870000000 Atomic positions (fractional): 1 Ho 0.33333333333333 0.66666666666667 0.75000000000000 164.930 2 Ho 0.66666666666667 0.33333333333333 0.25000000000000 164.930 3 Cl 0.29496086770356 0.38947904285037 0.25000000000000 35.453 4 Cl 0.61052095714963 0.90548182485319 0.25000000000000 35.453 5 Cl 0.09451817514681 0.70503913229644 0.25000000000000 35.453 6 Cl 0.90548182485319 0.29496086770356 0.75000000000000 35.453 7 Cl 0.38947904285037 0.09451817514681 0.75000000000000 35.453 8 Cl 0.70503913229644 0.61052095714963 0.75000000000000 35.453 9 O 0.19281253680782 0.21394381998008 0.25000000000000 15.999 10 O 0.52705531502022 0.55467758216089 0.75000000000000 15.999 11 O 0.25789564093674 0.46054566789903 0.03872234714421 15.999 12 O 0.25789564093674 0.46054566789903 0.46127765285579 15.999 13 O 0.02762226714066 0.47294468497978 0.75000000000000 15.999 14 O 0.53945433210097 0.79734997303771 0.46127765285579 15.999 15 O 0.53945433210097 0.79734997303771 0.03872234714421 15.999 16 O 0.78605618001992 0.97886871682774 0.25000000000000 15.999 17 O 0.20265002696229 0.74210435906326 0.03872234714421 15.999 18 O 0.20265002696229 0.74210435906326 0.46127765285579 15.999 19 O 0.97886871682774 0.19281253680782 0.75000000000000 15.999 20 O 0.55467758216089 0.02762226714066 0.25000000000000 15.999 21 O 0.44532241783912 0.97237773285934 0.75000000000000 15.999 22 O 0.02113128317226 0.80718746319218 0.25000000000000 15.999 23 O 0.79734997303771 0.25789564093674 0.53872234714421 15.999 24 O 0.79734997303771 0.25789564093674 0.96127765285579 15.999 25 O 0.21394381998008 0.02113128317226 0.75000000000000 15.999 26 O 0.46054566789903 0.20265002696229 0.96127765285579 15.999 27 O 0.46054566789903 0.20265002696229 0.53872234714421 15.999 28 O 0.97237773285934 0.52705531502022 0.25000000000000 15.999 29 O 0.74210435906326 0.53945433210097 0.96127765285579 15.999 30 O 0.74210435906326 0.53945433210097 0.53872234714421 15.999 31 O 0.47294468497978 0.44532241783912 0.25000000000000 15.999 32 O 0.80718746319218 0.78605618001992 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 11.120849740000001 Atomic positions (fractional): 1 Ho 0.33333333333333 0.66666666666667 0.37500000000000 164.930 > 1 2 Ho 0.33333333333333 0.66666666666667 0.87500000000000 164.930 > 1 3 Ho 0.66666666666667 0.33333333333333 0.12500000000000 164.930 > 3 4 Ho 0.66666666666667 0.33333333333333 0.62500000000000 164.930 > 3 5 Cl 0.29496086770356 0.38947904285037 0.12500000000000 35.453 > 5 6 Cl 0.29496086770356 0.38947904285037 0.62500000000000 35.453 > 5 7 Cl 0.61052095714963 0.90548182485319 0.12500000000000 35.453 > 7 8 Cl 0.61052095714963 0.90548182485319 0.62500000000000 35.453 > 7 9 Cl 0.09451817514681 0.70503913229644 0.12500000000000 35.453 > 9 10 Cl 0.09451817514681 0.70503913229644 0.62500000000000 35.453 > 9 11 Cl 0.90548182485319 0.29496086770356 0.37500000000000 35.453 > 11 12 Cl 0.90548182485319 0.29496086770356 0.87500000000000 35.453 > 11 13 Cl 0.38947904285037 0.09451817514681 0.37500000000000 35.453 > 13 14 Cl 0.38947904285037 0.09451817514681 0.87500000000000 35.453 > 13 15 Cl 0.70503913229644 0.61052095714963 0.37500000000000 35.453 > 15 16 Cl 0.70503913229644 0.61052095714963 0.87500000000000 35.453 > 15 17 O 0.19281253680782 0.21394381998008 0.12500000000000 15.999 > 17 18 O 0.19281253680782 0.21394381998008 0.62500000000000 15.999 > 17 19 O 0.52705531502022 0.55467758216089 0.37500000000000 15.999 > 19 20 O 0.52705531502022 0.55467758216089 0.87500000000000 15.999 > 19 21 O 0.25789564093674 0.46054566789903 0.01936117357210 15.999 > 21 22 O 0.25789564093674 0.46054566789903 0.51936117357210 15.999 > 21 23 O 0.25789564093674 0.46054566789903 0.23063882642790 15.999 > 23 24 O 0.25789564093674 0.46054566789903 0.73063882642790 15.999 > 23 25 O 0.02762226714066 0.47294468497978 0.37500000000000 15.999 > 25 26 O 0.02762226714066 0.47294468497978 0.87500000000000 15.999 > 25 27 O 0.53945433210097 0.79734997303771 0.23063882642790 15.999 > 27 28 O 0.53945433210097 0.79734997303771 0.73063882642790 15.999 > 27 29 O 0.53945433210097 0.79734997303771 0.01936117357210 15.999 > 29 30 O 0.53945433210097 0.79734997303771 0.51936117357210 15.999 > 29 31 O 0.78605618001992 0.97886871682774 0.12500000000000 15.999 > 31 32 O 0.78605618001992 0.97886871682774 0.62500000000000 15.999 > 31 33 O 0.20265002696229 0.74210435906326 0.01936117357210 15.999 > 33 34 O 0.20265002696229 0.74210435906326 0.51936117357210 15.999 > 33 35 O 0.20265002696229 0.74210435906326 0.23063882642790 15.999 > 35 36 O 0.20265002696229 0.74210435906326 0.73063882642790 15.999 > 35 37 O 0.97886871682774 0.19281253680782 0.37500000000000 15.999 > 37 38 O 0.97886871682774 0.19281253680782 0.87500000000000 15.999 > 37 39 O 0.55467758216089 0.02762226714066 0.12500000000000 15.999 > 39 40 O 0.55467758216089 0.02762226714066 0.62500000000000 15.999 > 39 41 O 0.44532241783912 0.97237773285934 0.37500000000000 15.999 > 41 42 O 0.44532241783912 0.97237773285934 0.87500000000000 15.999 > 41 43 O 0.02113128317226 0.80718746319218 0.12500000000000 15.999 > 43 44 O 0.02113128317226 0.80718746319218 0.62500000000000 15.999 > 43 45 O 0.79734997303771 0.25789564093674 0.26936117357210 15.999 > 45 46 O 0.79734997303771 0.25789564093674 0.76936117357210 15.999 > 45 47 O 0.79734997303771 0.25789564093674 0.48063882642790 15.999 > 47 48 O 0.79734997303771 0.25789564093674 0.98063882642790 15.999 > 47 49 O 0.21394381998008 0.02113128317226 0.37500000000000 15.999 > 49 50 O 0.21394381998008 0.02113128317226 0.87500000000000 15.999 > 49 51 O 0.46054566789903 0.20265002696229 0.48063882642790 15.999 > 51 52 O 0.46054566789903 0.20265002696229 0.98063882642790 15.999 > 51 53 O 0.46054566789903 0.20265002696229 0.26936117357210 15.999 > 53 54 O 0.46054566789903 0.20265002696229 0.76936117357210 15.999 > 53 55 O 0.97237773285934 0.52705531502022 0.12500000000000 15.999 > 55 56 O 0.97237773285934 0.52705531502022 0.62500000000000 15.999 > 55 57 O 0.74210435906326 0.53945433210097 0.48063882642790 15.999 > 57 58 O 0.74210435906326 0.53945433210097 0.98063882642790 15.999 > 57 59 O 0.74210435906326 0.53945433210097 0.26936117357210 15.999 > 59 60 O 0.74210435906326 0.53945433210097 0.76936117357210 15.999 > 59 61 O 0.47294468497978 0.44532241783912 0.12500000000000 15.999 > 61 62 O 0.47294468497978 0.44532241783912 0.62500000000000 15.999 > 61 63 O 0.80718746319218 0.78605618001992 0.37500000000000 15.999 > 63 64 O 0.80718746319218 0.78605618001992 0.87500000000000 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6719875 -0.0000001 0.0000000 0.0000001 2.6719875 0.0000000 0.0000000 0.0000000 2.8694993 -------------------------- Born effective charges -------------------------- 1 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 2 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 3 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 4 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 5 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 6 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 7 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 8 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 9 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 10 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 11 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 12 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 13 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 14 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 15 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 16 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 17 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 18 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 19 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 20 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 21 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 22 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 23 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 24 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 25 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 26 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 27 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 28 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 29 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 30 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 31 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 32 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zyy) 0.00000007 (zyy) 0.00000007 (zyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (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 2026-01-09 02:06:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:06:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 5.560424870000000 Atomic positions (fractional): 1 Ho 0.33333333333333 0.66666666666667 0.75000000000000 164.930 2 Ho 0.66666666666667 0.33333333333333 0.25000000000000 164.930 3 Cl 0.29496086770356 0.38947904285037 0.25000000000000 35.453 4 Cl 0.61052095714963 0.90548182485319 0.25000000000000 35.453 5 Cl 0.09451817514681 0.70503913229644 0.25000000000000 35.453 6 Cl 0.90548182485319 0.29496086770356 0.75000000000000 35.453 7 Cl 0.38947904285037 0.09451817514681 0.75000000000000 35.453 8 Cl 0.70503913229644 0.61052095714963 0.75000000000000 35.453 9 O 0.19281253680782 0.21394381998008 0.25000000000000 15.999 10 O 0.52705531502022 0.55467758216089 0.75000000000000 15.999 11 O 0.25789564093674 0.46054566789903 0.03872234714421 15.999 12 O 0.25789564093674 0.46054566789903 0.46127765285579 15.999 13 O 0.02762226714066 0.47294468497978 0.75000000000000 15.999 14 O 0.53945433210097 0.79734997303771 0.46127765285579 15.999 15 O 0.53945433210097 0.79734997303771 0.03872234714421 15.999 16 O 0.78605618001992 0.97886871682774 0.25000000000000 15.999 17 O 0.20265002696229 0.74210435906326 0.03872234714421 15.999 18 O 0.20265002696229 0.74210435906326 0.46127765285579 15.999 19 O 0.97886871682774 0.19281253680782 0.75000000000000 15.999 20 O 0.55467758216089 0.02762226714066 0.25000000000000 15.999 21 O 0.44532241783912 0.97237773285934 0.75000000000000 15.999 22 O 0.02113128317226 0.80718746319218 0.25000000000000 15.999 23 O 0.79734997303771 0.25789564093674 0.53872234714421 15.999 24 O 0.79734997303771 0.25789564093674 0.96127765285579 15.999 25 O 0.21394381998008 0.02113128317226 0.75000000000000 15.999 26 O 0.46054566789903 0.20265002696229 0.96127765285579 15.999 27 O 0.46054566789903 0.20265002696229 0.53872234714421 15.999 28 O 0.97237773285934 0.52705531502022 0.25000000000000 15.999 29 O 0.74210435906326 0.53945433210097 0.96127765285579 15.999 30 O 0.74210435906326 0.53945433210097 0.53872234714421 15.999 31 O 0.47294468497978 0.44532241783912 0.25000000000000 15.999 32 O 0.80718746319218 0.78605618001992 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.236975801324114 0.000000000000000 0.000000000000000 b -4.618487900662057 7.999455698088804 0.000000000000000 c 0.000000000000000 0.000000000000000 11.120849740000001 Atomic positions (fractional): 1 Ho 0.33333333333333 0.66666666666667 0.37500000000000 164.930 > 1 2 Ho 0.33333333333333 0.66666666666667 0.87500000000000 164.930 > 1 3 Ho 0.66666666666667 0.33333333333333 0.12500000000000 164.930 > 3 4 Ho 0.66666666666667 0.33333333333333 0.62500000000000 164.930 > 3 5 Cl 0.29496086770356 0.38947904285037 0.12500000000000 35.453 > 5 6 Cl 0.29496086770356 0.38947904285037 0.62500000000000 35.453 > 5 7 Cl 0.61052095714963 0.90548182485319 0.12500000000000 35.453 > 7 8 Cl 0.61052095714963 0.90548182485319 0.62500000000000 35.453 > 7 9 Cl 0.09451817514681 0.70503913229644 0.12500000000000 35.453 > 9 10 Cl 0.09451817514681 0.70503913229644 0.62500000000000 35.453 > 9 11 Cl 0.90548182485319 0.29496086770356 0.37500000000000 35.453 > 11 12 Cl 0.90548182485319 0.29496086770356 0.87500000000000 35.453 > 11 13 Cl 0.38947904285037 0.09451817514681 0.37500000000000 35.453 > 13 14 Cl 0.38947904285037 0.09451817514681 0.87500000000000 35.453 > 13 15 Cl 0.70503913229644 0.61052095714963 0.37500000000000 35.453 > 15 16 Cl 0.70503913229644 0.61052095714963 0.87500000000000 35.453 > 15 17 O 0.19281253680782 0.21394381998008 0.12500000000000 15.999 > 17 18 O 0.19281253680782 0.21394381998008 0.62500000000000 15.999 > 17 19 O 0.52705531502022 0.55467758216089 0.37500000000000 15.999 > 19 20 O 0.52705531502022 0.55467758216089 0.87500000000000 15.999 > 19 21 O 0.25789564093674 0.46054566789903 0.01936117357210 15.999 > 21 22 O 0.25789564093674 0.46054566789903 0.51936117357210 15.999 > 21 23 O 0.25789564093674 0.46054566789903 0.23063882642790 15.999 > 23 24 O 0.25789564093674 0.46054566789903 0.73063882642790 15.999 > 23 25 O 0.02762226714066 0.47294468497978 0.37500000000000 15.999 > 25 26 O 0.02762226714066 0.47294468497978 0.87500000000000 15.999 > 25 27 O 0.53945433210097 0.79734997303771 0.23063882642790 15.999 > 27 28 O 0.53945433210097 0.79734997303771 0.73063882642790 15.999 > 27 29 O 0.53945433210097 0.79734997303771 0.01936117357210 15.999 > 29 30 O 0.53945433210097 0.79734997303771 0.51936117357210 15.999 > 29 31 O 0.78605618001992 0.97886871682774 0.12500000000000 15.999 > 31 32 O 0.78605618001992 0.97886871682774 0.62500000000000 15.999 > 31 33 O 0.20265002696229 0.74210435906326 0.01936117357210 15.999 > 33 34 O 0.20265002696229 0.74210435906326 0.51936117357210 15.999 > 33 35 O 0.20265002696229 0.74210435906326 0.23063882642790 15.999 > 35 36 O 0.20265002696229 0.74210435906326 0.73063882642790 15.999 > 35 37 O 0.97886871682774 0.19281253680782 0.37500000000000 15.999 > 37 38 O 0.97886871682774 0.19281253680782 0.87500000000000 15.999 > 37 39 O 0.55467758216089 0.02762226714066 0.12500000000000 15.999 > 39 40 O 0.55467758216089 0.02762226714066 0.62500000000000 15.999 > 39 41 O 0.44532241783912 0.97237773285934 0.37500000000000 15.999 > 41 42 O 0.44532241783912 0.97237773285934 0.87500000000000 15.999 > 41 43 O 0.02113128317226 0.80718746319218 0.12500000000000 15.999 > 43 44 O 0.02113128317226 0.80718746319218 0.62500000000000 15.999 > 43 45 O 0.79734997303771 0.25789564093674 0.26936117357210 15.999 > 45 46 O 0.79734997303771 0.25789564093674 0.76936117357210 15.999 > 45 47 O 0.79734997303771 0.25789564093674 0.48063882642790 15.999 > 47 48 O 0.79734997303771 0.25789564093674 0.98063882642790 15.999 > 47 49 O 0.21394381998008 0.02113128317226 0.37500000000000 15.999 > 49 50 O 0.21394381998008 0.02113128317226 0.87500000000000 15.999 > 49 51 O 0.46054566789903 0.20265002696229 0.48063882642790 15.999 > 51 52 O 0.46054566789903 0.20265002696229 0.98063882642790 15.999 > 51 53 O 0.46054566789903 0.20265002696229 0.26936117357210 15.999 > 53 54 O 0.46054566789903 0.20265002696229 0.76936117357210 15.999 > 53 55 O 0.97237773285934 0.52705531502022 0.12500000000000 15.999 > 55 56 O 0.97237773285934 0.52705531502022 0.62500000000000 15.999 > 55 57 O 0.74210435906326 0.53945433210097 0.48063882642790 15.999 > 57 58 O 0.74210435906326 0.53945433210097 0.98063882642790 15.999 > 57 59 O 0.74210435906326 0.53945433210097 0.26936117357210 15.999 > 59 60 O 0.74210435906326 0.53945433210097 0.76936117357210 15.999 > 59 61 O 0.47294468497978 0.44532241783912 0.12500000000000 15.999 > 61 62 O 0.47294468497978 0.44532241783912 0.62500000000000 15.999 > 61 63 O 0.80718746319218 0.78605618001992 0.37500000000000 15.999 > 63 64 O 0.80718746319218 0.78605618001992 0.87500000000000 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6719875 -0.0000001 0.0000000 0.0000001 2.6719875 0.0000000 0.0000000 0.0000000 2.8694993 -------------------------- Born effective charges -------------------------- 1 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 2 Ho 4.1677909 -0.6302889 0.0000000 0.6302889 4.1677909 0.0000000 0.0000000 0.0000000 5.4373957 3 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 4 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 5 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 6 Cl 3.6473671 1.0611752 0.0000000 0.2000610 3.1827780 0.0000000 0.0000000 0.0000000 3.9612665 7 Cl 2.7527940 0.3164211 0.0000000 -0.5446932 4.0773511 0.0000000 0.0000000 0.0000000 3.9612665 8 Cl 3.8450566 -0.0859249 0.0000000 -0.9470392 2.9850885 0.0000000 0.0000000 0.0000000 3.9612665 9 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 10 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 11 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 12 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 13 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 14 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 15 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 16 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 17 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 18 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 19 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 20 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 21 O -1.1225230 0.5224486 0.0000000 0.9282833 -2.0967309 0.0000000 0.0000000 0.0000000 -0.7539840 22 O -1.1081747 0.1998902 0.0000000 0.2581449 -0.7581951 0.0000000 0.0000000 0.0000000 -0.6357497 23 O -1.5136066 -0.1684306 -0.9863818 -0.1800144 -0.7479177 -0.1545565 -1.1013748 -0.1158003 -2.1919990 24 O -1.5136066 -0.1684306 0.9863818 -0.1800144 -0.7479177 0.1545565 1.1013748 0.1158003 -2.1919990 25 O -1.0440250 -0.2951817 0.0000000 -0.2369271 -0.8223448 0.0000000 0.0000000 0.0000000 -0.6357497 26 O -0.7884588 -0.2386499 -0.3593410 -0.2502337 -1.4730655 -0.9315100 -0.4504014 -1.0117187 -2.1919990 27 O -0.7884588 -0.2386499 0.3593410 -0.2502337 -1.4730655 0.9315100 0.4504014 1.0117187 -2.1919990 28 O -1.2249936 -0.9874447 0.0000000 -0.5816101 -1.9942603 0.0000000 0.0000000 0.0000000 -0.7539840 29 O -1.0902210 0.4244562 -0.6270408 0.4128724 -1.1713033 0.7769535 -0.6509734 0.8959184 -2.1919990 30 O -1.0902210 0.4244562 0.6270408 0.4128724 -1.1713033 -0.7769535 0.6509734 -0.8959184 -2.1919990 31 O -2.4813643 -0.1437559 0.0000000 0.2620787 -0.7378896 0.0000000 0.0000000 0.0000000 -0.7539840 32 O -0.6473550 0.0079095 0.0000000 0.0661642 -1.2190148 0.0000000 0.0000000 0.0000000 -0.6357497 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zyy) 0.00000007 (zyy) 0.00000007 (zyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] 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: 0.56, Number of G-points: 283, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.242 ( 0.000 0.000 0.000) 0.000 13.285 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 17.361 ( 0.000 0.000 0.000) 0.000 17.361 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.538 ( 0.000 0.000 0.000) 0.000 17.666 ( 0.000 0.000 0.000) 0.000 17.827 ( 0.000 0.000 0.000) 0.000 17.827 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 17.912 ( 0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 17.998 ( 0.000 0.000 0.000) 0.000 17.998 ( 0.000 0.000 0.000) 0.000 18.010 ( 0.000 0.000 0.000) 0.000 18.116 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 27.575 ( 0.000 0.000 0.000) 0.000 27.575 ( 0.000 0.000 0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 27.612 ( 0.000 0.000 0.000) 0.000 28.177 ( 0.000 0.000 0.000) 0.000 28.420 ( 0.000 0.000 0.000) 0.000 28.420 ( 0.000 0.000 0.000) 0.000 28.697 ( 0.000 0.000 0.000) 0.000 28.697 ( 0.000 0.000 0.000) 0.000 29.284 ( 0.000 0.000 0.000) 0.000 29.538 ( 0.000 0.000 0.000) 0.000 29.865 ( 0.000 0.000 0.000) 0.000 30.280 ( 0.000 0.000 0.000) 0.000 30.280 ( 0.000 0.000 0.000) 0.000 30.889 ( 0.000 0.000 0.000) 0.000 30.889 ( 0.000 0.000 0.000) 0.000 32.887 ( 0.000 0.000 0.000) 0.000 36.079 ( 0.000 0.000 0.000) 0.000 36.079 ( 0.000 0.000 0.000) 0.000 36.354 ( 0.000 0.000 0.000) 0.000 36.367 ( 0.000 0.000 0.000) 0.000 36.367 ( 0.000 0.000 0.000) 0.000 37.525 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 12.495 6.667 0.000) 14.163 0.629 ( 24.291 14.340 0.000) 28.208 0.699 ( 28.139 16.270 0.000) 32.504 1.848 ( -5.337 -3.473 0.000) 6.368 1.875 ( -0.542 -1.256 0.000) 1.368 1.931 ( 0.409 0.573 0.000) 0.704 1.943 ( 4.096 3.558 0.000) 5.425 2.197 ( 1.635 0.207 0.000) 1.648 2.295 ( 2.398 2.253 0.000) 3.290 2.348 ( 5.956 3.049 0.000) 6.692 2.534 ( 4.794 2.727 0.000) 5.515 3.185 ( -5.155 -2.502 0.000) 5.730 3.502 ( -14.636 -9.360 0.000) 17.373 3.734 ( -8.738 -4.049 0.000) 9.631 3.762 ( -1.188 0.410 0.000) 1.257 3.767 ( -4.161 -3.845 0.000) 5.666 3.829 ( 4.194 1.809 0.000) 4.567 3.870 ( -4.812 -2.466 0.000) 5.407 4.046 ( 0.553 0.308 0.000) 0.633 4.156 ( -2.991 -0.417 0.000) 3.020 4.212 ( 2.072 -0.113 0.000) 2.075 4.215 ( 6.152 3.542 0.000) 7.099 4.376 ( 9.584 5.617 0.000) 11.109 4.531 ( -4.847 -2.783 0.000) 5.589 4.532 ( 4.393 2.453 0.000) 5.031 4.780 ( -0.629 -0.222 0.000) 0.667 4.807 ( -2.939 -2.915 0.000) 4.140 4.850 ( -3.949 -0.097 0.000) 3.950 4.935 ( 0.775 0.115 0.000) 0.783 4.990 ( 3.091 2.005 0.000) 3.685 5.044 ( 5.043 1.570 0.000) 5.282 5.268 ( 2.394 -0.377 0.000) 2.424 5.302 ( 1.869 3.512 0.000) 3.979 5.380 ( 1.027 0.590 0.000) 1.184 5.771 ( -7.012 -4.047 0.000) 8.096 5.804 ( -4.180 -1.278 0.000) 4.371 5.852 ( -1.174 -2.419 0.000) 2.689 6.082 ( -2.229 -1.292 0.000) 2.576 6.142 ( -2.633 -1.202 0.000) 2.895 6.199 ( 4.878 2.820 0.000) 5.635 6.251 ( -0.564 1.072 0.000) 1.211 6.287 ( 2.477 0.142 0.000) 2.481 12.747 ( -1.073 -0.615 0.000) 1.237 12.769 ( 0.548 0.310 0.000) 0.630 12.843 ( 0.171 0.101 0.000) 0.199 12.971 ( -1.170 -0.670 0.000) 1.348 12.996 ( 0.675 0.382 0.000) 0.776 13.159 ( 0.612 0.274 0.000) 0.670 13.174 ( -0.890 -0.202 0.000) 0.912 13.191 ( 0.811 0.209 0.000) 0.838 13.247 ( 0.291 0.196 0.000) 0.351 13.301 ( 1.229 0.710 0.000) 1.419 13.386 ( -0.787 -0.456 0.000) 0.909 13.394 ( -0.179 -0.101 0.000) 0.205 17.330 ( -1.570 -1.724 0.000) 2.332 17.355 ( -0.962 0.533 0.000) 1.100 17.443 ( 0.420 -0.068 0.000) 0.426 17.582 ( 0.514 1.065 0.000) 1.183 17.587 ( -0.370 -0.996 0.000) 1.062 17.732 ( 2.665 1.559 0.000) 3.088 17.826 ( -0.018 0.011 0.000) 0.021 17.829 ( 0.260 0.125 0.000) 0.289 17.858 ( 0.495 0.310 0.000) 0.584 17.862 ( 0.855 0.474 0.000) 0.977 17.909 ( -0.374 -0.214 0.000) 0.431 17.915 ( -0.545 -0.314 0.000) 0.629 17.975 ( -1.887 -0.439 0.000) 1.938 17.996 ( 0.243 -0.587 0.000) 0.636 18.001 ( -0.735 -0.425 0.000) 0.849 18.120 ( 0.016 0.268 0.000) 0.269 18.184 ( 0.733 0.156 0.000) 0.750 18.248 ( -0.396 -0.118 0.000) 0.413 27.519 ( -2.035 -1.197 0.000) 2.361 27.574 ( -0.692 0.515 0.000) 0.862 27.602 ( 0.189 -1.152 0.000) 1.167 27.689 ( 3.083 2.003 0.000) 3.676 27.757 ( 1.342 0.915 0.000) 1.625 28.152 ( -2.023 -1.169 0.000) 2.337 28.392 ( -1.937 -1.119 0.000) 2.237 28.421 ( 0.135 0.079 0.000) 0.156 28.696 ( -0.040 -0.025 0.000) 0.047 28.721 ( 1.655 0.957 0.000) 1.912 29.319 ( 2.863 1.653 0.000) 3.306 29.569 ( 2.566 1.478 0.000) 2.961 29.831 ( -2.751 -1.589 0.000) 3.177 30.238 ( -3.612 -2.066 0.000) 4.161 30.875 ( -5.831 8.301 0.000) 10.144 30.896 ( 5.715 -8.598 0.000) 10.324 32.298 ( 2.998 2.124 0.000) 3.674 32.884 ( -0.078 -0.214 0.000) 0.228 36.047 ( -3.204 0.510 0.000) 3.245 36.055 ( -0.651 -2.770 0.000) 2.845 36.381 ( 1.523 -0.464 0.000) 1.592 36.402 ( 2.803 3.002 0.000) 4.107 37.175 ( -0.893 -0.525 0.000) 1.036 37.518 ( -0.546 -0.316 0.000) 0.631 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 8.516 3.703 0.000) 9.286 1.133 ( 16.182 10.308 0.000) 19.186 1.325 ( 22.804 13.695 0.000) 26.601 1.697 ( -6.799 -3.140 0.000) 7.489 1.847 ( -0.423 -2.712 0.000) 2.744 1.950 ( 1.801 -0.620 0.000) 1.904 2.074 ( 3.380 4.643 0.000) 5.743 2.229 ( 1.597 -6.241 0.000) 6.442 2.244 ( -3.962 4.663 0.000) 6.119 2.590 ( 9.657 5.167 0.000) 10.952 2.664 ( 4.924 3.721 0.000) 6.172 3.049 ( -6.181 -2.459 0.000) 6.652 3.174 ( -10.340 -7.493 0.000) 12.770 3.516 ( -7.880 -4.971 0.000) 9.317 3.628 ( -5.884 -3.256 0.000) 6.725 3.742 ( -0.752 -0.340 0.000) 0.825 3.793 ( -2.111 -1.634 0.000) 2.670 3.926 ( 3.441 2.028 0.000) 3.994 4.031 ( -1.005 -0.661 0.000) 1.203 4.084 ( -3.742 -0.506 0.000) 3.776 4.265 ( 3.464 0.682 0.000) 3.531 4.295 ( 0.980 0.587 0.000) 1.142 4.426 ( -3.758 -1.808 0.000) 4.170 4.573 ( 6.347 3.263 0.000) 7.136 4.659 ( 4.772 2.350 0.000) 5.320 4.753 ( -0.733 -1.079 0.000) 1.305 4.758 ( -1.404 -0.279 0.000) 1.431 4.776 ( -3.302 -0.350 0.000) 3.321 4.970 ( 2.336 0.752 0.000) 2.454 5.028 ( -0.307 0.171 0.000) 0.351 5.155 ( 6.168 1.253 0.000) 6.294 5.309 ( 1.373 0.427 0.000) 1.438 5.384 ( 1.642 4.418 0.000) 4.713 5.423 ( 2.269 1.336 0.000) 2.634 5.612 ( -5.489 -3.188 0.000) 6.347 5.690 ( -4.632 -3.150 0.000) 5.601 5.816 ( -0.223 -2.220 0.000) 2.231 6.017 ( -2.751 -1.597 0.000) 3.181 6.042 ( -5.402 -1.531 0.000) 5.615 6.266 ( 0.571 0.666 0.000) 0.877 6.295 ( 2.808 1.629 0.000) 3.246 6.334 ( 1.919 0.550 0.000) 1.996 12.720 ( -0.980 -0.556 0.000) 1.127 12.782 ( 0.457 0.242 0.000) 0.517 12.850 ( 0.340 0.209 0.000) 0.400 12.943 ( -0.943 -0.533 0.000) 1.083 13.016 ( 0.860 0.465 0.000) 0.978 13.153 ( -0.777 -0.568 0.000) 0.962 13.167 ( -0.082 0.320 0.000) 0.331 13.217 ( 1.399 0.414 0.000) 1.459 13.251 ( -0.122 0.089 0.000) 0.151 13.336 ( 1.478 0.860 0.000) 1.710 13.364 ( -0.849 -0.509 0.000) 0.989 13.386 ( -0.530 -0.295 0.000) 0.606 17.291 ( -0.862 -1.166 0.000) 1.450 17.341 ( -0.955 0.431 0.000) 1.048 17.453 ( 0.721 -0.061 0.000) 0.723 17.520 ( -2.402 -1.110 0.000) 2.646 17.667 ( 3.493 1.639 0.000) 3.858 17.785 ( 1.606 1.022 0.000) 1.903 17.827 ( 0.037 0.047 0.000) 0.059 17.841 ( 0.764 0.383 0.000) 0.854 17.870 ( 0.358 0.328 0.000) 0.486 17.881 ( 0.205 0.006 0.000) 0.205 17.891 ( -1.011 -0.528 0.000) 1.141 17.903 ( 0.157 0.115 0.000) 0.195 17.934 ( -1.907 -0.372 0.000) 1.942 17.977 ( -1.208 -0.699 0.000) 1.396 17.997 ( 0.563 -0.541 0.000) 0.781 18.118 ( -0.472 0.162 0.000) 0.499 18.198 ( 0.557 -0.228 0.000) 0.602 18.241 ( -0.321 0.159 0.000) 0.359 27.494 ( -0.042 -0.122 0.000) 0.130 27.551 ( -1.869 -0.142 0.000) 1.874 27.599 ( 0.651 -0.876 0.000) 1.091 27.719 ( 0.165 0.098 0.000) 0.192 27.842 ( 4.386 2.957 0.000) 5.289 28.085 ( -3.410 -2.005 0.000) 3.956 28.347 ( -1.506 -0.871 0.000) 1.740 28.425 ( 0.135 0.081 0.000) 0.157 28.695 ( -0.039 -0.029 0.000) 0.048 28.758 ( 1.168 0.680 0.000) 1.352 29.412 ( 4.491 2.592 0.000) 5.185 29.659 ( 4.658 2.635 0.000) 5.352 29.742 ( -4.324 -2.496 0.000) 4.993 30.112 ( -6.335 -3.460 0.000) 7.219 30.865 ( -5.597 9.578 0.000) 11.094 30.913 ( 6.606 -9.721 0.000) 11.753 32.373 ( 1.949 2.328 0.000) 3.036 32.885 ( 0.492 -0.305 0.000) 0.578 35.994 ( -2.667 0.299 0.000) 2.684 36.016 ( -0.460 -2.187 0.000) 2.235 36.403 ( 1.118 -0.221 0.000) 1.140 36.487 ( 2.706 2.541 0.000) 3.712 37.149 ( -1.099 -0.671 0.000) 1.288 37.503 ( -0.587 -0.339 0.000) 0.678 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.761 ( -0.000 -0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.969 ( -0.000 0.000 0.000) 0.000 3.025 ( 0.000 -0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 -0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.341 ( -0.000 -0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 -0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 -0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 -0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 13.241 ( -0.000 -0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 13.365 ( -0.000 -0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.484 ( 0.000 0.000 0.000) 0.000 17.717 ( 0.000 -0.000 0.000) 0.000 17.804 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 17.859 ( -0.000 0.000 0.000) 0.000 17.867 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 17.911 ( 0.000 0.000 0.000) 0.000 17.919 ( 0.000 0.000 0.000) 0.000 17.955 ( -0.000 -0.000 0.000) 0.000 18.001 ( 0.000 -0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 18.199 ( 0.000 0.000 0.000) 0.000 18.240 ( 0.000 0.000 0.000) 0.000 27.505 ( -0.000 -0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.601 ( 0.000 0.000 0.000) 0.000 27.720 ( 0.000 -0.000 0.000) 0.000 27.923 ( 0.000 0.000 0.000) 0.000 28.018 ( -0.000 -0.000 0.000) 0.000 28.327 ( 0.000 0.000 0.000) 0.000 28.427 ( 0.000 0.000 0.000) 0.000 28.695 ( 0.000 0.000 0.000) 0.000 28.773 ( 0.000 0.000 0.000) 0.000 29.490 ( 0.000 0.000 0.000) 0.000 29.667 ( 0.000 0.000 0.000) 0.000 29.741 ( 0.000 0.000 0.000) 0.000 30.007 ( 0.000 0.000 0.000) 0.000 30.866 ( -0.000 0.000 0.000) 0.000 30.924 ( 0.000 -0.000 0.000) 0.000 32.403 ( 0.000 0.000 0.000) 0.000 32.890 ( 0.000 0.000 0.000) 0.000 35.970 ( 0.000 0.000 0.000) 0.000 35.999 ( 0.000 0.000 0.000) 0.000 36.412 ( 0.000 0.000 0.000) 0.000 36.529 ( 0.000 0.000 0.000) 0.000 37.133 ( 0.000 0.000 0.000) 0.000 37.495 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 6.651 13.683 0.000) 15.214 0.996 ( 11.054 17.443 0.000) 20.651 1.172 ( 14.747 25.073 0.000) 29.088 1.730 ( -3.521 -6.872 0.000) 7.721 1.912 ( -2.544 4.727 0.000) 5.368 1.938 ( -1.219 -0.271 0.000) 1.249 1.989 ( 6.507 0.771 0.000) 6.553 2.176 ( -2.903 -2.285 0.000) 3.695 2.334 ( 1.300 0.273 0.000) 1.329 2.500 ( 5.239 9.974 0.000) 11.266 2.630 ( 3.815 5.844 0.000) 6.979 3.067 ( -3.561 -7.917 0.000) 8.680 3.265 ( -7.636 -11.047 0.000) 13.430 3.555 ( -5.724 -9.784 0.000) 11.335 3.695 ( -2.466 -3.536 0.000) 4.310 3.808 ( 1.461 1.538 0.000) 2.122 3.810 ( -2.223 -3.661 0.000) 4.283 3.851 ( 0.946 2.328 0.000) 2.513 4.035 ( -0.758 -1.245 0.000) 1.457 4.108 ( -0.317 -4.619 0.000) 4.630 4.211 ( -0.783 2.028 0.000) 2.174 4.285 ( 1.099 1.879 0.000) 2.177 4.451 ( -2.158 -4.085 0.000) 4.620 4.550 ( 4.716 8.635 0.000) 9.839 4.630 ( 3.121 5.953 0.000) 6.721 4.751 ( -1.435 -1.886 0.000) 2.370 4.768 ( -0.139 -1.104 0.000) 1.112 4.811 ( -0.212 -2.653 0.000) 2.661 4.961 ( 0.841 2.764 0.000) 2.889 5.025 ( 0.709 0.422 0.000) 0.825 5.154 ( 1.472 7.424 0.000) 7.568 5.254 ( 0.938 0.674 0.000) 1.155 5.375 ( 3.480 1.755 0.000) 3.898 5.395 ( 0.033 0.051 0.000) 0.061 5.666 ( -2.377 -4.108 0.000) 4.746 5.763 ( 0.927 -4.103 0.000) 4.206 5.799 ( -5.627 -0.383 0.000) 5.640 6.023 ( -2.392 -4.126 0.000) 4.770 6.102 ( 0.075 -4.648 0.000) 4.649 6.160 ( -3.209 -3.511 0.000) 4.757 6.279 ( 2.244 3.874 0.000) 4.478 6.377 ( 2.181 4.202 0.000) 4.734 12.723 ( -0.783 -1.371 0.000) 1.579 12.785 ( 0.566 1.014 0.000) 1.162 12.846 ( 0.084 0.127 0.000) 0.152 12.949 ( -0.696 -1.224 0.000) 1.408 13.013 ( 0.642 1.159 0.000) 1.325 13.142 ( -0.788 -1.372 0.000) 1.582 13.188 ( 1.061 0.684 0.000) 1.262 13.204 ( -0.123 1.144 0.000) 1.151 13.250 ( 0.129 0.008 0.000) 0.129 13.326 ( 0.814 1.405 0.000) 1.624 13.369 ( -0.585 -0.997 0.000) 1.156 13.391 ( -0.152 -0.275 0.000) 0.314 17.294 ( -1.167 -1.102 0.000) 1.605 17.366 ( 1.003 -0.241 0.000) 1.031 17.435 ( -0.735 -0.011 0.000) 0.735 17.531 ( -1.487 -2.977 0.000) 3.328 17.646 ( 1.827 3.720 0.000) 4.145 17.774 ( 1.243 2.022 0.000) 2.374 17.830 ( 0.250 0.227 0.000) 0.337 17.833 ( 0.090 0.398 0.000) 0.408 17.868 ( 0.341 0.445 0.000) 0.561 17.878 ( 0.551 1.086 0.000) 1.218 17.898 ( -0.442 -0.784 0.000) 0.900 17.903 ( -0.363 -0.651 0.000) 0.746 17.958 ( 0.847 -2.051 0.000) 2.219 17.979 ( -2.111 0.026 0.000) 2.111 17.985 ( -0.661 -1.145 0.000) 1.322 18.127 ( 0.675 0.329 0.000) 0.751 18.198 ( -0.200 0.936 0.000) 0.957 18.236 ( -0.169 -1.078 0.000) 1.091 27.494 ( -0.511 -0.790 0.000) 0.941 27.562 ( 0.393 -1.765 0.000) 1.808 27.589 ( -1.467 0.397 0.000) 1.519 27.762 ( -0.532 1.558 0.000) 1.646 27.780 ( 3.919 3.722 0.000) 5.405 28.105 ( -1.884 -3.229 0.000) 3.739 28.350 ( -1.313 -2.272 0.000) 2.624 28.437 ( 0.723 1.248 0.000) 1.442 28.671 ( -1.068 -1.844 0.000) 2.131 28.769 ( 1.553 2.685 0.000) 3.102 29.384 ( 2.497 4.326 0.000) 4.995 29.630 ( 2.501 4.390 0.000) 5.053 29.769 ( -2.442 -4.230 0.000) 4.885 30.187 ( -1.801 -3.366 0.000) 3.817 30.662 ( -4.560 -9.969 0.000) 10.962 31.082 ( 3.059 8.534 0.000) 9.066 32.375 ( 3.669 4.290 0.000) 5.645 32.860 ( -1.617 -1.763 0.000) 2.392 36.000 ( -0.343 -1.976 0.000) 2.005 36.056 ( -1.162 -0.400 0.000) 1.229 36.274 ( -2.372 -3.870 0.000) 4.539 36.577 ( 4.958 8.069 0.000) 9.471 37.144 ( -1.404 -2.370 0.000) 2.755 37.507 ( -0.386 -0.668 0.000) 0.771 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.260 12.761 0.000) 12.764 1.314 ( 8.498 6.626 0.000) 10.776 1.601 ( -3.742 -6.049 0.000) 7.113 1.658 ( 13.202 15.502 0.000) 20.362 1.876 ( -7.163 5.653 0.000) 9.125 1.889 ( 1.161 -4.808 0.000) 4.946 2.074 ( -2.616 -4.261 0.000) 5.000 2.155 ( 8.108 -0.282 0.000) 8.113 2.298 ( -5.030 -1.398 0.000) 5.220 2.660 ( 4.605 1.149 0.000) 4.746 2.782 ( 4.640 6.831 0.000) 8.257 2.905 ( -4.845 -6.886 0.000) 8.420 3.078 ( -3.518 -4.064 0.000) 5.376 3.402 ( -2.027 -3.304 0.000) 3.876 3.611 ( -4.871 0.351 0.000) 4.884 3.739 ( 0.459 -3.837 0.000) 3.865 3.803 ( -3.602 5.158 0.000) 6.291 3.930 ( 4.528 -0.965 0.000) 4.630 3.998 ( -0.864 -2.725 0.000) 2.859 4.053 ( -1.520 -1.550 0.000) 2.170 4.265 ( 4.281 0.808 0.000) 4.357 4.298 ( 0.089 -0.211 0.000) 0.229 4.371 ( -2.527 -3.420 0.000) 4.252 4.678 ( 1.408 4.914 0.000) 5.112 4.713 ( 0.630 2.035 0.000) 2.130 4.746 ( 1.191 0.942 0.000) 1.518 4.750 ( -0.877 -0.546 0.000) 1.033 4.770 ( -2.093 -0.504 0.000) 2.153 5.016 ( -0.596 -0.777 0.000) 0.979 5.031 ( 0.900 5.165 0.000) 5.242 5.218 ( 1.027 3.364 0.000) 3.517 5.338 ( 2.247 1.164 0.000) 2.531 5.355 ( 0.928 -7.319 0.000) 7.378 5.442 ( 1.774 3.003 0.000) 3.488 5.645 ( -2.076 5.827 0.000) 6.186 5.659 ( -5.900 -0.527 0.000) 5.924 5.772 ( 1.786 -1.126 0.000) 2.111 5.936 ( -0.237 -5.886 0.000) 5.891 6.011 ( -4.568 -1.665 0.000) 4.862 6.125 ( 5.035 -8.490 0.000) 9.871 6.338 ( 0.584 1.941 0.000) 2.027 6.436 ( -0.723 4.296 0.000) 4.357 12.701 ( -0.168 -0.978 0.000) 0.992 12.802 ( -0.222 1.433 0.000) 1.450 12.849 ( 0.339 -0.420 0.000) 0.540 12.929 ( -0.228 -0.692 0.000) 0.728 13.037 ( 0.189 1.492 0.000) 1.504 13.116 ( 0.126 -2.051 0.000) 2.055 13.198 ( -1.049 1.602 0.000) 1.915 13.224 ( 1.258 0.256 0.000) 1.283 13.249 ( -0.194 -0.375 0.000) 0.422 13.343 ( 0.166 -0.621 0.000) 0.643 13.361 ( 0.463 0.743 0.000) 0.876 13.381 ( -0.606 -0.197 0.000) 0.637 17.278 ( -0.188 0.083 0.000) 0.206 17.364 ( -1.634 1.456 0.000) 2.188 17.439 ( 1.811 -0.962 0.000) 2.051 17.479 ( -0.955 -2.473 0.000) 2.651 17.715 ( 1.449 2.769 0.000) 3.125 17.801 ( 0.258 -0.089 0.000) 0.273 17.833 ( -0.262 0.549 0.000) 0.609 17.847 ( 0.976 0.197 0.000) 0.995 17.868 ( -0.402 -0.746 0.000) 0.848 17.885 ( -0.248 0.399 0.000) 0.470 17.889 ( -0.517 0.959 0.000) 1.090 17.909 ( 1.099 0.290 0.000) 1.136 17.931 ( -2.339 -0.189 0.000) 2.346 17.958 ( -0.789 -1.069 0.000) 1.328 17.966 ( 1.826 -2.065 0.000) 2.756 18.139 ( -0.683 1.773 0.000) 1.900 18.197 ( -0.132 -0.003 0.000) 0.132 18.226 ( 0.545 -1.463 0.000) 1.561 27.492 ( 0.611 0.179 0.000) 0.637 27.533 ( -1.147 -1.511 0.000) 1.897 27.584 ( 0.521 -0.181 0.000) 0.552 27.764 ( -1.657 3.135 0.000) 3.546 27.890 ( 4.127 1.981 0.000) 4.578 28.025 ( -2.519 -3.573 0.000) 4.372 28.314 ( -0.176 -1.603 0.000) 1.613 28.463 ( -0.796 3.160 0.000) 3.259 28.636 ( 1.107 -4.234 0.000) 4.376 28.811 ( -0.274 2.751 0.000) 2.765 29.484 ( 2.751 4.071 0.000) 4.913 29.670 ( -2.637 -4.189 0.000) 4.950 29.732 ( 2.697 3.924 0.000) 4.762 30.096 ( -6.400 2.283 0.000) 6.795 30.534 ( 6.325 -17.200 0.000) 18.326 31.188 ( -3.188 11.869 0.000) 12.290 32.469 ( -1.083 6.605 0.000) 6.693 32.814 ( 2.195 -6.271 0.000) 6.644 35.988 ( -0.130 -0.383 0.000) 0.404 36.019 ( -2.576 1.894 0.000) 3.197 36.231 ( 4.263 -8.744 0.000) 9.728 36.714 ( -2.210 11.896 0.000) 12.100 37.090 ( 0.575 -5.084 0.000) 5.116 37.495 ( -0.201 -0.351 0.000) 0.405 ======================= Grid point 10 (7/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -10.096 6.455 0.000) 11.984 1.302 ( -10.752 -3.999 0.000) 11.471 1.586 ( 6.606 0.509 0.000) 6.625 1.634 ( -18.535 -1.994 0.000) 18.642 1.914 ( 4.846 -4.009 0.000) 6.290 1.952 ( -2.384 10.767 0.000) 11.027 2.077 ( 7.457 -0.651 0.000) 7.485 2.089 ( -5.671 -8.752 0.000) 10.429 2.303 ( 2.267 2.737 0.000) 3.554 2.666 ( -2.964 -3.495 0.000) 4.582 2.752 ( -7.011 0.631 0.000) 7.039 2.926 ( 5.937 -0.287 0.000) 5.943 3.080 ( 6.055 1.097 0.000) 6.154 3.409 ( 4.212 -0.189 0.000) 4.217 3.601 ( 1.947 4.419 0.000) 4.829 3.748 ( 3.503 -2.287 0.000) 4.184 3.805 ( -2.693 5.829 0.000) 6.422 3.926 ( -1.284 -4.416 0.000) 4.599 4.001 ( 2.685 -0.751 0.000) 2.788 4.040 ( 0.920 0.844 0.000) 1.248 4.275 ( -2.136 -3.726 0.000) 4.295 4.298 ( 0.122 -0.175 0.000) 0.213 4.366 ( 4.147 0.836 0.000) 4.230 4.686 ( -4.841 1.004 0.000) 4.944 4.726 ( -2.807 -0.306 0.000) 2.823 4.729 ( 0.004 0.655 0.000) 0.655 4.743 ( 0.729 0.701 0.000) 1.011 4.772 ( 0.554 1.194 0.000) 1.316 5.007 ( -0.050 0.608 0.000) 0.610 5.041 ( -3.768 1.302 0.000) 3.986 5.260 ( 0.066 -0.446 0.000) 0.451 5.306 ( -4.501 -0.229 0.000) 4.507 5.354 ( 5.867 -4.447 0.000) 7.362 5.414 ( -4.847 0.828 0.000) 4.917 5.645 ( -3.989 4.694 0.000) 6.160 5.675 ( 3.084 3.563 0.000) 4.712 5.795 ( 1.752 -1.871 0.000) 2.563 5.936 ( 5.222 -2.740 0.000) 5.898 5.982 ( 2.562 2.255 0.000) 3.413 6.134 ( 4.982 -7.460 0.000) 8.971 6.338 ( -1.978 0.467 0.000) 2.033 6.437 ( -3.271 2.737 0.000) 4.265 12.701 ( 0.925 -0.341 0.000) 0.986 12.803 ( -1.117 0.907 0.000) 1.438 12.848 ( 0.186 -0.504 0.000) 0.538 12.929 ( 0.705 -0.146 0.000) 0.720 13.038 ( -1.369 0.577 0.000) 1.485 13.116 ( 1.699 -1.131 0.000) 2.041 13.195 ( -1.046 1.483 0.000) 1.815 13.231 ( -0.725 -0.976 0.000) 1.216 13.245 ( 0.487 0.219 0.000) 0.534 13.343 ( 0.431 -0.441 0.000) 0.617 13.362 ( -0.851 -0.056 0.000) 0.853 13.381 ( 0.474 0.440 0.000) 0.647 17.281 ( 0.343 0.063 0.000) 0.349 17.356 ( -0.991 2.107 0.000) 2.328 17.447 ( 0.011 -2.139 0.000) 2.139 17.475 ( 2.699 -0.118 0.000) 2.702 17.719 ( -2.917 -0.001 0.000) 2.917 17.800 ( -0.058 -0.228 0.000) 0.235 17.833 ( -0.365 0.470 0.000) 0.596 17.848 ( -0.659 -0.770 0.000) 1.013 17.866 ( 0.790 0.076 0.000) 0.794 17.887 ( -0.448 0.498 0.000) 0.670 17.890 ( -0.460 0.915 0.000) 1.024 17.908 ( -0.834 -0.838 0.000) 1.182 17.918 ( 0.901 1.220 0.000) 1.517 17.958 ( 1.319 0.147 0.000) 1.327 17.977 ( 1.535 -1.981 0.000) 2.506 18.136 ( -1.441 1.492 0.000) 2.074 18.203 ( 0.499 0.498 0.000) 0.705 18.221 ( 0.685 -1.548 0.000) 1.693 27.494 ( -0.478 -0.582 0.000) 0.753 27.526 ( 1.386 0.483 0.000) 1.467 27.591 ( 0.609 -0.734 0.000) 0.954 27.767 ( -1.752 3.149 0.000) 3.603 27.885 ( -4.053 -2.589 0.000) 4.810 28.026 ( 4.308 0.338 0.000) 4.322 28.314 ( 1.477 -0.650 0.000) 1.614 28.463 ( -2.340 2.270 0.000) 3.260 28.636 ( 3.116 -3.076 0.000) 4.379 28.811 ( -2.248 1.614 0.000) 2.767 29.484 ( -4.901 -0.347 0.000) 4.913 29.670 ( 4.946 0.189 0.000) 4.950 29.734 ( -4.716 -0.416 0.000) 4.734 30.093 ( 1.096 6.741 0.000) 6.829 30.529 ( 11.060 -13.670 0.000) 17.583 31.200 ( -7.515 8.142 0.000) 11.080 32.455 ( -5.958 4.331 0.000) 7.365 32.823 ( 4.689 -4.987 0.000) 6.846 35.978 ( -0.267 0.583 0.000) 0.642 36.030 ( 0.365 2.587 0.000) 2.613 36.231 ( 5.556 -8.223 0.000) 9.925 36.712 ( -9.379 7.945 0.000) 12.292 37.091 ( 4.134 -3.036 0.000) 5.130 37.495 ( 0.405 -0.001 0.000) 0.405 ======================= Grid point 15 (8/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 -0.000 0.000) 0.000 1.454 ( -3.367 -6.735 0.000) 7.530 1.454 ( 3.367 6.735 0.000) 7.530 1.813 ( 0.000 -0.000 0.000) 0.000 1.893 ( -3.804 -7.608 0.000) 8.506 1.893 ( 3.804 7.608 0.000) 8.506 2.076 ( -0.000 -0.000 0.000) 0.000 2.189 ( -3.351 -6.703 0.000) 7.494 2.189 ( 3.351 6.703 0.000) 7.494 2.658 ( -0.000 -0.000 0.000) 0.000 2.816 ( -0.000 -0.000 0.000) 0.000 2.956 ( -3.176 -6.352 0.000) 7.101 2.956 ( 3.176 6.352 0.000) 7.101 3.383 ( -0.000 -0.000 0.000) 0.000 3.646 ( -1.732 -3.465 0.000) 3.874 3.646 ( 1.732 3.465 0.000) 3.874 3.907 ( 0.000 -0.000 0.000) 0.000 3.920 ( -1.703 -3.405 0.000) 3.807 3.920 ( 1.703 3.405 0.000) 3.807 4.047 ( -0.000 -0.000 0.000) 0.000 4.295 ( -0.000 -0.000 0.000) 0.000 4.302 ( -1.177 -2.353 0.000) 2.631 4.302 ( 1.177 2.353 0.000) 2.631 4.736 ( 0.000 0.000 0.000) 0.000 4.737 ( -0.382 -0.764 0.000) 0.854 4.737 ( 0.382 0.764 0.000) 0.854 4.763 ( -0.197 -0.394 0.000) 0.441 4.763 ( 0.197 0.394 0.000) 0.441 5.004 ( -0.000 -0.000 0.000) 0.000 5.182 ( -3.777 -7.554 0.000) 8.446 5.182 ( 3.777 7.554 0.000) 8.446 5.290 ( -1.516 -3.031 0.000) 3.389 5.290 ( 1.516 3.031 0.000) 3.389 5.582 ( -3.407 -6.814 0.000) 7.618 5.582 ( 3.407 6.814 0.000) 7.618 5.771 ( 0.000 -0.000 0.000) 0.000 5.791 ( -3.362 -6.724 0.000) 7.517 5.791 ( 3.362 6.724 0.000) 7.517 6.002 ( -1.299 -2.597 0.000) 2.904 6.002 ( 1.299 2.597 0.000) 2.904 6.360 ( -0.000 -0.000 0.000) 0.000 6.482 ( -0.000 -0.000 0.000) 0.000 12.689 ( -0.000 -0.000 0.000) 0.000 12.832 ( -0.533 -1.066 0.000) 1.191 12.832 ( 0.533 1.066 0.000) 1.191 12.921 ( -0.000 -0.000 0.000) 0.000 13.074 ( -0.866 -1.732 0.000) 1.937 13.074 ( 0.866 1.732 0.000) 1.937 13.223 ( -0.340 -0.680 0.000) 0.760 13.223 ( 0.340 0.680 0.000) 0.760 13.241 ( 0.000 -0.000 0.000) 0.000 13.334 ( -0.000 -0.000 0.000) 0.000 13.375 ( -0.205 -0.410 0.000) 0.458 13.375 ( 0.205 0.410 0.000) 0.458 17.281 ( -0.000 -0.000 0.000) 0.000 17.404 ( -1.096 -2.191 0.000) 2.450 17.404 ( 1.096 2.191 0.000) 2.450 17.448 ( -0.000 -0.000 0.000) 0.000 17.771 ( -1.060 -2.120 0.000) 2.370 17.771 ( 1.060 2.120 0.000) 2.370 17.848 ( -0.253 -0.507 0.000) 0.566 17.848 ( 0.253 0.507 0.000) 0.566 17.852 ( -0.000 -0.000 0.000) 0.000 17.908 ( -0.244 -0.488 0.000) 0.546 17.908 ( 0.244 0.488 0.000) 0.546 17.916 ( -0.000 0.000 0.000) 0.000 17.924 ( -0.425 -0.851 0.000) 0.951 17.924 ( 0.425 0.851 0.000) 0.951 17.942 ( -0.000 -0.000 0.000) 0.000 18.182 ( -0.902 -1.803 0.000) 2.016 18.182 ( 0.902 1.803 0.000) 2.016 18.202 ( -0.000 -0.000 0.000) 0.000 27.505 ( -0.443 -0.886 0.000) 0.991 27.505 ( 0.443 0.886 0.000) 0.991 27.582 ( -0.000 -0.000 0.000) 0.000 27.805 ( -0.000 -0.000 0.000) 0.000 27.946 ( -1.638 -3.275 0.000) 3.662 27.946 ( 1.638 3.275 0.000) 3.662 28.296 ( -0.000 -0.000 0.000) 0.000 28.544 ( -1.953 -3.906 0.000) 4.367 28.544 ( 1.953 3.906 0.000) 4.367 28.843 ( -0.000 -0.000 0.000) 0.000 29.576 ( -2.080 -4.161 0.000) 4.652 29.576 ( 2.080 4.161 0.000) 4.652 29.782 ( -0.000 -0.000 0.000) 0.000 30.232 ( -4.926 -9.853 0.000) 11.016 30.232 ( 4.926 9.853 0.000) 11.016 31.316 ( -0.000 -0.000 0.000) 0.000 32.643 ( -4.268 -8.536 0.000) 9.544 32.643 ( 4.268 8.536 0.000) 9.544 35.988 ( -0.000 -0.000 0.000) 0.000 36.085 ( -2.189 -4.378 0.000) 4.895 36.085 ( 2.189 4.378 0.000) 4.895 36.938 ( -4.167 -8.335 0.000) 9.319 36.938 ( 4.167 8.335 0.000) 9.319 37.491 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -0.000 0.000 26.465) 26.465 0.537 ( -0.000 0.000 26.465) 26.465 0.960 ( -0.000 -0.000 47.495) 47.495 1.710 ( 0.000 -0.000 -7.477) 7.477 1.710 ( 0.000 0.000 -7.477) 7.477 2.138 ( 0.000 -0.000 10.920) 10.920 2.138 ( 0.000 -0.000 10.920) 10.920 2.194 ( 0.000 0.000 1.408) 1.408 2.194 ( 0.000 0.000 1.408) 1.408 2.387 ( 0.000 0.000 -3.507) 3.507 2.480 ( 0.000 -0.000 10.247) 10.247 3.211 ( 0.000 0.000 -3.968) 3.968 3.211 ( 0.000 0.000 -3.968) 3.968 3.578 ( -0.000 -0.000 -9.412) 9.412 3.578 ( 0.000 -0.000 -9.412) 9.412 3.934 ( -0.000 -0.000 -13.422) 13.422 3.959 ( 0.000 -0.000 0.217) 0.217 4.005 ( 0.000 0.000 9.187) 9.187 4.005 ( 0.000 0.000 9.187) 9.187 4.105 ( -0.000 0.000 -5.858) 5.858 4.105 ( 0.000 0.000 -5.858) 5.858 4.290 ( 0.000 -0.000 8.293) 8.293 4.544 ( 0.000 0.000 4.577) 4.577 4.544 ( -0.000 0.000 4.577) 4.577 4.732 ( -0.000 0.000 9.179) 9.179 4.796 ( 0.000 0.000 0.501) 0.501 4.826 ( 0.000 -0.000 -6.549) 6.549 4.826 ( 0.000 0.000 -6.549) 6.549 4.969 ( 0.000 -0.000 2.556) 2.556 4.969 ( 0.000 -0.000 2.556) 2.556 5.170 ( 0.000 0.000 0.885) 0.885 5.285 ( 0.000 -0.000 3.894) 3.894 5.311 ( -0.000 0.000 5.359) 5.359 5.311 ( -0.000 0.000 5.359) 5.359 5.788 ( -0.000 0.000 -3.781) 3.781 5.893 ( 0.000 -0.000 -0.923) 0.923 5.966 ( -0.000 0.000 -10.503) 10.503 5.966 ( 0.000 -0.000 -10.503) 10.503 6.097 ( 0.000 -0.000 -5.806) 5.806 6.343 ( 0.000 0.000 4.417) 4.417 6.343 ( 0.000 0.000 4.417) 4.417 6.481 ( -0.000 0.000 -1.436) 1.436 12.776 ( 0.000 0.000 1.364) 1.364 12.776 ( 0.000 -0.000 1.364) 1.364 12.884 ( 0.000 0.000 -0.141) 0.141 12.983 ( 0.000 0.000 -0.411) 0.411 12.983 ( -0.000 0.000 -0.411) 0.411 13.159 ( -0.000 0.000 1.055) 1.055 13.179 ( 0.000 0.000 -4.338) 4.338 13.182 ( 0.000 0.000 -0.217) 0.217 13.182 ( 0.000 0.000 -0.217) 0.217 13.324 ( 0.000 0.000 1.958) 1.958 13.385 ( 0.000 -0.000 -1.098) 1.098 13.385 ( 0.000 0.000 -1.098) 1.098 17.358 ( 0.000 0.000 -0.271) 0.271 17.358 ( 0.000 0.000 -0.271) 0.271 17.425 ( 0.000 0.000 -1.286) 1.286 17.425 ( 0.000 -0.000 -1.286) 1.286 17.546 ( 0.000 -0.000 0.792) 0.792 17.669 ( 0.000 -0.000 0.380) 0.380 17.826 ( 0.000 0.000 -0.101) 0.101 17.826 ( -0.000 0.000 -0.101) 0.101 17.835 ( -0.000 0.000 -1.256) 1.256 17.835 ( 0.000 0.000 -1.256) 1.256 17.904 ( 0.000 0.000 -0.813) 0.813 17.984 ( -0.000 -0.000 1.549) 1.549 18.014 ( 0.000 -0.000 0.133) 0.133 18.018 ( -0.000 -0.000 1.755) 1.755 18.018 ( -0.000 0.000 1.755) 1.755 18.114 ( 0.000 -0.000 -0.063) 0.063 18.173 ( -0.000 0.000 -0.317) 0.317 18.173 ( 0.000 -0.000 -0.317) 0.317 27.568 ( 0.000 0.000 -0.642) 0.642 27.568 ( -0.000 0.000 -0.642) 0.642 27.604 ( 0.000 0.000 -0.603) 0.603 27.605 ( 0.000 -0.000 -0.219) 0.219 27.605 ( -0.000 0.000 -0.219) 0.219 28.142 ( 0.000 -0.000 -3.410) 3.410 28.444 ( 0.000 -0.000 2.325) 2.325 28.444 ( -0.000 -0.000 2.325) 2.325 28.712 ( 0.000 0.000 1.378) 1.378 28.712 ( -0.000 0.000 1.378) 1.378 29.525 ( -0.000 -0.000 -1.189) 1.189 29.842 ( 0.000 0.000 -2.302) 2.302 30.311 ( 0.000 -0.000 3.045) 3.045 30.311 ( 0.000 -0.000 3.045) 3.045 30.874 ( 0.000 0.000 -1.401) 1.401 30.874 ( 0.000 0.000 -1.401) 1.401 32.962 ( -0.000 0.000 7.209) 7.209 33.605 ( -0.000 0.000 2.543) 2.543 36.080 ( 0.000 0.000 0.099) 0.099 36.080 ( 0.000 -0.000 0.099) 0.099 36.348 ( 0.000 -0.000 -0.427) 0.427 36.350 ( -0.000 -0.000 -1.638) 1.638 36.350 ( 0.000 0.000 -1.638) 1.638 37.458 ( -0.000 0.000 -6.584) 6.584 ======================= Grid point 44 (10/40) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 7.285 5.037 14.991) 17.412 0.617 ( 7.436 3.333 20.099) 21.688 1.301 ( 18.715 11.093 35.236) 41.411 1.728 ( -0.087 0.399 -5.266) 5.282 1.763 ( 4.743 2.098 -4.659) 6.972 2.040 ( -5.481 -3.456 6.635) 9.274 2.095 ( -0.323 -0.350 7.819) 7.834 2.233 ( 0.909 2.060 3.114) 3.843 2.332 ( 9.189 3.891 2.174) 10.213 2.453 ( 4.027 2.734 0.881) 4.947 2.507 ( 2.379 1.373 8.585) 9.014 3.154 ( -4.212 -2.141 -3.040) 5.618 3.244 ( -1.869 -1.633 -8.921) 9.260 3.599 ( 0.268 0.960 -8.226) 8.286 3.639 ( 4.524 2.177 -8.234) 9.644 3.834 ( -9.537 -4.818 -1.039) 10.735 3.876 ( -5.057 -4.118 -0.557) 6.546 3.954 ( -0.284 0.552 -0.474) 0.781 3.982 ( 2.265 0.638 -2.787) 3.647 4.087 ( -2.729 -1.520 0.806) 3.226 4.220 ( 4.799 3.208 0.155) 5.774 4.275 ( -0.685 -0.431 5.873) 5.929 4.428 ( -6.365 -3.609 5.804) 9.340 4.593 ( -1.069 -0.797 6.351) 6.489 4.662 ( 0.214 -0.281 3.592) 3.610 4.753 ( -2.236 -0.410 -4.219) 4.792 4.810 ( -0.491 -0.138 -3.517) 3.554 4.836 ( 0.011 -0.527 -0.312) 0.613 4.958 ( 1.181 0.402 2.770) 3.038 4.986 ( 1.542 0.889 2.650) 3.192 5.255 ( -0.117 0.659 7.062) 7.093 5.302 ( 2.101 -0.403 2.775) 3.503 5.319 ( 2.810 2.395 2.765) 4.613 5.358 ( 3.421 2.352 -0.310) 4.163 5.668 ( -6.998 -4.476 -6.349) 10.455 5.820 ( -4.482 -2.078 -1.938) 5.307 5.990 ( 0.373 2.022 -5.830) 6.182 6.026 ( -4.801 -5.187 1.716) 7.274 6.080 ( 3.361 2.297 -5.837) 7.117 6.216 ( -7.416 -4.349 7.226) 11.230 6.321 ( -1.906 -0.695 3.626) 4.155 6.334 ( -0.279 -0.395 3.043) 3.082 12.763 ( -0.965 -0.555 1.510) 1.876 12.783 ( 0.488 0.278 1.290) 1.407 12.862 ( -0.772 -0.443 0.885) 1.255 12.970 ( -0.946 -0.539 -0.074) 1.091 12.993 ( 0.789 0.446 -0.257) 0.942 13.154 ( -0.873 -0.593 -2.227) 2.465 13.164 ( 0.193 0.257 0.537) 0.626 13.185 ( 0.518 0.248 -0.425) 0.714 13.213 ( 1.273 0.729 -1.930) 2.424 13.328 ( 0.350 0.206 1.482) 1.536 13.377 ( -0.683 -0.402 -0.963) 1.247 13.384 ( -0.127 -0.068 -1.014) 1.024 17.326 ( -1.707 -1.490 -0.319) 2.288 17.352 ( -0.700 0.290 -0.214) 0.788 17.421 ( -0.462 -0.257 -2.767) 2.817 17.446 ( 0.545 0.080 -5.326) 5.354 17.588 ( 2.904 1.679 0.460) 3.386 17.695 ( 1.232 0.753 -2.215) 2.644 17.828 ( 0.309 0.274 -0.240) 0.477 17.837 ( 0.443 -0.271 -1.074) 1.193 17.849 ( 0.655 0.816 -0.691) 1.254 17.875 ( 1.897 1.069 1.225) 2.498 17.902 ( 0.015 -0.026 0.236) 0.238 17.976 ( -0.600 -0.370 2.901) 2.985 17.992 ( -1.955 -0.632 1.258) 2.409 18.007 ( -0.559 -0.328 0.455) 0.792 18.016 ( 0.362 -0.306 1.665) 1.731 18.120 ( 0.022 0.239 0.087) 0.255 18.180 ( 0.796 0.087 -0.360) 0.878 18.198 ( 1.132 0.888 -2.443) 2.835 27.516 ( -1.901 -1.110 -0.176) 2.209 27.569 ( -0.290 0.433 -0.441) 0.682 27.596 ( -0.162 -1.199 -0.461) 1.295 27.646 ( 1.769 1.715 -2.783) 3.717 27.687 ( 4.594 2.475 -1.785) 5.515 28.107 ( -2.514 -1.452 -3.859) 4.829 28.450 ( 0.566 0.147 2.942) 3.000 28.480 ( 1.324 1.006 4.486) 4.784 28.709 ( 0.003 -0.521 1.173) 1.283 28.741 ( 2.153 1.707 1.206) 3.001 29.414 ( -7.501 -4.337 0.851) 8.706 29.801 ( -3.484 -1.925 -2.844) 4.892 30.004 ( -11.431 -6.788 21.631) 25.390 30.280 ( -2.572 -1.392 3.989) 4.947 30.878 ( -1.971 4.049 -0.811) 4.576 30.900 ( 2.997 -3.517 0.003) 4.621 32.835 ( -22.669 -12.587 34.286) 42.987 32.966 ( -0.214 -0.549 8.696) 8.716 36.049 ( -2.888 0.272 0.246) 2.911 36.060 ( -0.414 -2.262 0.577) 2.371 36.363 ( 1.116 0.049 -1.747) 2.074 36.386 ( 2.458 2.123 -1.346) 3.516 36.838 ( 15.199 8.748 -21.013) 27.370 37.442 ( -1.124 -0.649 -6.933) 7.054 ======================= Grid point 45 (11/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 6.332 3.790 12.721) 14.706 0.944 ( 18.175 9.648 -3.010) 20.796 1.592 ( -0.493 -3.900 2.720) 4.780 1.679 ( -2.802 7.710 4.372) 9.296 1.904 ( -3.092 -5.894 3.583) 7.559 1.962 ( 13.886 2.930 12.027) 18.602 2.163 ( 2.495 6.004 5.615) 8.591 2.275 ( 2.190 1.607 4.466) 5.227 2.443 ( -0.155 -2.011 15.040) 15.174 2.573 ( 3.682 4.539 -3.097) 6.615 2.639 ( 9.229 4.398 2.571) 10.541 3.043 ( -4.253 -3.239 -1.056) 5.449 3.107 ( -7.146 -4.291 -2.339) 8.657 3.585 ( -6.121 -1.630 1.206) 6.448 3.592 ( -3.715 -3.186 -2.069) 5.314 3.734 ( -3.149 -0.560 3.234) 4.548 3.759 ( 1.956 -0.168 -6.658) 6.942 3.940 ( -1.799 -4.002 -1.653) 4.688 3.988 ( -1.926 0.951 3.146) 3.809 4.119 ( 4.271 3.684 -9.772) 11.283 4.242 ( 0.119 0.179 4.601) 4.606 4.298 ( 0.675 -1.552 -2.348) 2.895 4.373 ( 0.512 2.651 -2.206) 3.486 4.478 ( -5.044 -3.667 6.980) 9.360 4.690 ( 2.292 -3.231 -3.440) 5.246 4.729 ( -2.452 2.781 -1.847) 4.143 4.796 ( -2.787 0.737 1.862) 3.432 4.874 ( 4.628 0.556 0.419) 4.680 4.993 ( 2.410 -0.148 0.738) 2.525 5.044 ( 2.702 1.734 3.652) 4.863 5.225 ( -2.197 1.755 -0.836) 2.934 5.314 ( 0.300 -0.750 1.814) 1.986 5.402 ( 2.079 -4.644 -3.241) 6.033 5.445 ( 1.959 4.501 1.281) 5.073 5.521 ( -3.266 -0.457 2.564) 4.177 5.676 ( -6.397 -2.850 0.866) 7.057 5.935 ( 0.197 -1.630 5.467) 5.708 6.009 ( -0.460 0.663 -0.633) 1.026 6.051 ( -4.065 -1.424 1.366) 4.519 6.201 ( 2.585 -1.124 -5.311) 6.012 6.278 ( -2.490 0.359 -0.275) 2.530 6.344 ( 1.215 0.636 0.003) 1.371 12.738 ( -0.885 -0.509 1.769) 2.042 12.794 ( 0.336 0.184 1.065) 1.132 12.857 ( 0.150 0.100 0.481) 0.514 12.947 ( -0.828 -0.461 0.370) 1.018 13.017 ( 1.072 0.581 0.168) 1.231 13.134 ( -0.706 -0.474 -1.778) 1.971 13.165 ( -0.202 0.097 -0.192) 0.296 13.207 ( 1.140 0.483 -0.860) 1.507 13.233 ( 0.337 0.221 -1.460) 1.514 13.341 ( 0.698 0.549 0.260) 0.926 13.357 ( -0.689 -0.589 -0.696) 1.143 13.378 ( -0.458 -0.206 -0.844) 0.982 17.286 ( -0.973 -1.121 -0.423) 1.543 17.342 ( -0.794 0.408 0.024) 0.893 17.405 ( -0.752 -0.359 -4.935) 5.005 17.449 ( 0.158 -0.314 -3.668) 3.685 17.662 ( 3.040 1.477 -0.349) 3.397 17.721 ( 0.690 0.754 -3.991) 4.120 17.840 ( 0.526 -0.718 -1.005) 1.342 17.842 ( 0.472 0.729 -0.068) 0.871 17.868 ( 0.489 0.589 0.171) 0.784 17.880 ( -0.574 -0.239 -0.247) 0.669 17.914 ( 0.583 -0.133 2.435) 2.508 17.950 ( -1.859 -0.176 1.119) 2.177 17.961 ( -0.608 -0.105 3.904) 3.952 17.988 ( -0.942 -0.547 1.113) 1.557 18.027 ( 0.976 -0.301 2.485) 2.687 18.116 ( -0.545 0.219 -0.102) 0.596 18.194 ( 0.487 -0.278 -0.384) 0.680 18.218 ( 0.442 0.574 -1.857) 1.993 27.493 ( -0.055 -0.090 -0.017) 0.107 27.550 ( -1.803 -0.209 -0.053) 1.816 27.590 ( 0.699 -0.860 -0.732) 1.328 27.680 ( 0.622 0.792 -2.632) 2.818 27.800 ( 4.676 2.765 -2.966) 6.189 28.031 ( -3.644 -2.124 -4.438) 6.123 28.463 ( 0.896 -0.894 6.038) 6.169 28.484 ( -1.189 1.066 7.456) 7.625 28.703 ( 0.206 -1.101 0.738) 1.341 28.799 ( 1.315 1.681 2.875) 3.580 29.327 ( 1.373 0.792 -3.830) 4.145 29.677 ( -6.584 -3.559 -4.302) 8.633 29.888 ( -0.507 -0.885 13.829) 13.866 30.203 ( -3.524 -1.642 7.484) 8.434 30.887 ( -7.108 13.298 1.062) 15.116 30.912 ( 8.184 -13.125 0.017) 15.467 32.588 ( -3.736 -1.170 19.552) 19.940 32.971 ( 0.721 -0.184 8.335) 8.368 35.999 ( -2.454 0.100 0.480) 2.502 36.031 ( -0.238 -1.822 1.535) 2.394 36.383 ( 0.909 -0.013 -1.934) 2.137 36.456 ( 2.200 2.016 -2.908) 4.166 37.023 ( 3.128 1.760 -11.164) 11.726 37.413 ( -1.086 -0.627 -8.247) 8.342 ======================= Grid point 46 (12/40) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 0.000 12.204) 12.204 1.326 ( 0.000 0.000 -0.270) 0.270 1.363 ( -0.000 -0.000 -12.157) 12.157 1.723 ( 0.000 0.000 -1.447) 1.447 1.840 ( 0.000 0.000 5.160) 5.160 2.150 ( 0.000 0.000 11.976) 11.976 2.227 ( 0.000 0.000 0.784) 0.784 2.338 ( 0.000 -0.000 19.503) 19.503 2.379 ( 0.000 0.000 15.161) 15.161 2.632 ( 0.000 0.000 -5.334) 5.334 2.799 ( 0.000 0.000 5.172) 5.172 2.962 ( -0.000 0.000 -3.108) 3.108 2.993 ( 0.000 0.000 0.786) 0.786 3.472 ( 0.000 0.000 5.455) 5.455 3.571 ( 0.000 0.000 -1.993) 1.993 3.682 ( 0.000 0.000 3.077) 3.077 3.815 ( 0.000 0.000 -6.038) 6.038 3.861 ( 0.000 0.000 2.668) 2.668 3.991 ( 0.000 0.000 -2.421) 2.421 4.174 ( 0.000 0.000 0.387) 0.387 4.269 ( 0.000 0.000 -0.023) 0.023 4.296 ( 0.000 0.000 -13.514) 13.514 4.380 ( 0.000 -0.000 -0.320) 0.320 4.409 ( 0.000 0.000 6.699) 6.699 4.704 ( -0.000 0.000 -3.030) 3.030 4.712 ( 0.000 -0.000 -3.023) 3.023 4.767 ( 0.000 0.000 2.866) 2.866 4.927 ( 0.000 0.000 1.234) 1.234 5.020 ( 0.000 0.000 1.425) 1.425 5.084 ( 0.000 0.000 3.607) 3.607 5.245 ( 0.000 -0.000 -3.751) 3.751 5.300 ( 0.000 0.000 -4.432) 4.432 5.325 ( 0.000 0.000 -6.315) 6.315 5.497 ( 0.000 0.000 7.827) 7.827 5.529 ( 0.000 0.000 10.292) 10.292 5.595 ( 0.000 -0.000 -5.428) 5.428 5.948 ( 0.000 0.000 5.822) 5.822 5.982 ( -0.000 0.000 1.196) 1.196 6.005 ( 0.000 0.000 3.219) 3.219 6.228 ( 0.000 0.000 -2.402) 2.402 6.247 ( 0.000 -0.000 -6.214) 6.214 6.364 ( 0.000 -0.000 -1.096) 1.096 12.727 ( 0.000 0.000 1.886) 1.886 12.797 ( 0.000 0.000 0.906) 0.906 12.860 ( 0.000 0.000 0.347) 0.347 12.936 ( 0.000 0.000 0.523) 0.523 13.033 ( 0.000 0.000 0.553) 0.553 13.123 ( 0.000 0.000 -1.652) 1.652 13.163 ( 0.000 0.000 -0.430) 0.430 13.228 ( -0.000 -0.000 -1.392) 1.392 13.230 ( 0.000 0.000 -0.975) 0.975 13.346 ( 0.000 0.000 -0.745) 0.745 13.363 ( -0.825 -0.279 -0.549) 1.030 13.363 ( 0.825 0.279 -0.415) 0.965 17.271 ( 0.000 0.000 -0.520) 0.520 17.336 ( 0.000 0.000 0.170) 0.170 17.394 ( 0.000 0.000 -5.408) 5.408 17.448 ( 0.000 0.000 -2.927) 2.927 17.706 ( 0.000 0.000 -0.784) 0.784 17.730 ( 0.000 0.000 -4.747) 4.747 17.842 ( -0.000 0.000 -1.333) 1.333 17.850 ( 0.000 -0.000 0.437) 0.437 17.867 ( 0.000 0.000 -0.180) 0.180 17.883 ( 0.000 0.000 0.919) 0.919 17.913 ( 0.000 0.000 2.096) 2.096 17.930 ( 0.000 0.000 1.145) 1.145 17.961 ( 0.000 0.000 3.503) 3.503 17.969 ( -0.000 -0.000 1.748) 1.748 18.036 ( 0.000 -0.000 2.907) 2.907 18.111 ( 0.000 0.000 -0.117) 0.117 18.195 ( 0.000 0.000 -0.458) 0.458 18.226 ( 0.000 0.000 -1.283) 1.283 27.502 ( -0.000 -0.000 -0.149) 0.149 27.521 ( 0.000 0.000 0.097) 0.097 27.593 ( 0.000 0.000 -0.633) 0.633 27.689 ( 0.000 -0.000 -2.247) 2.247 27.886 ( 0.000 0.000 -3.059) 3.059 27.958 ( -0.000 -0.000 -4.883) 4.883 28.460 ( 0.000 0.000 10.682) 10.682 28.483 ( 0.000 0.000 4.901) 4.901 28.698 ( 0.000 0.000 0.415) 0.415 28.817 ( 0.000 0.000 3.581) 3.581 29.397 ( 0.000 0.000 -6.412) 6.412 29.554 ( 0.000 0.000 -6.107) 6.107 29.889 ( 0.000 0.000 9.495) 9.495 30.155 ( 0.000 0.000 10.570) 10.570 30.893 ( -0.000 0.000 1.986) 1.986 30.919 ( 0.000 -0.000 -0.604) 0.604 32.557 ( 0.000 0.000 14.860) 14.860 32.979 ( 0.000 0.000 8.504) 8.504 35.976 ( 0.000 0.000 0.580) 0.580 36.018 ( 0.000 0.000 1.937) 1.937 36.391 ( 0.000 0.000 -2.017) 2.017 36.489 ( 0.000 0.000 -3.692) 3.692 37.055 ( 0.000 0.000 -7.400) 7.400 37.399 ( 0.000 0.000 -9.090) 9.090 ======================= Grid point 51 (13/40) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 7.233 10.436 10.119) 16.236 0.810 ( 7.187 15.589 2.639) 17.367 1.559 ( 3.538 6.781 12.683) 14.811 1.733 ( 6.968 -3.054 5.225) 9.229 1.840 ( -2.487 9.474 2.436) 10.093 1.991 ( -7.130 -0.043 3.778) 8.069 2.076 ( 7.507 0.155 8.105) 11.049 2.273 ( 0.823 0.433 5.415) 5.495 2.474 ( -0.544 7.631 2.814) 8.151 2.513 ( 6.143 1.792 10.401) 12.211 2.583 ( 3.229 6.761 -1.388) 7.620 3.049 ( -3.943 -6.502 -1.701) 7.792 3.172 ( -3.823 -5.611 -3.709) 7.737 3.625 ( -3.398 -6.043 -0.188) 6.936 3.659 ( 2.298 0.333 -2.400) 3.340 3.684 ( -1.404 -1.409 -5.846) 6.175 3.788 ( -3.146 -3.716 -0.537) 4.898 3.937 ( -1.154 0.289 -3.906) 4.083 4.030 ( -0.432 -0.577 6.376) 6.417 4.099 ( 2.945 2.127 -6.636) 7.565 4.250 ( 1.014 -0.785 3.774) 3.986 4.259 ( -1.534 1.069 0.946) 2.095 4.368 ( 0.594 -0.809 -3.217) 3.370 4.515 ( -3.462 -5.174 6.608) 9.079 4.659 ( -2.206 -0.846 -3.358) 4.106 4.772 ( 0.495 -2.465 -2.953) 3.878 4.784 ( 2.994 1.635 1.126) 3.592 4.856 ( -0.757 2.724 2.171) 3.564 4.989 ( -0.265 2.572 1.276) 2.884 5.019 ( 1.961 2.126 1.705) 3.357 5.237 ( 1.242 -2.052 0.256) 2.413 5.328 ( -2.164 2.971 5.570) 6.673 5.345 ( 0.482 -1.711 0.614) 1.881 5.426 ( 2.985 4.201 -0.487) 5.176 5.603 ( -1.155 -0.367 -2.825) 3.074 5.770 ( 1.868 -5.318 -2.549) 6.186 5.846 ( -6.990 -5.225 6.467) 10.862 6.023 ( 0.021 -0.422 0.072) 0.429 6.105 ( -1.398 -5.895 0.519) 6.080 6.142 ( -1.526 2.209 -1.991) 3.343 6.281 ( -0.310 -1.682 0.853) 1.912 6.369 ( 1.518 2.500 -0.724) 3.013 12.741 ( -0.736 -1.276 1.689) 2.241 12.797 ( 0.517 0.911 1.144) 1.551 12.854 ( -0.095 -0.187 0.587) 0.624 12.951 ( -0.605 -1.076 0.282) 1.266 13.012 ( 0.717 1.296 -0.034) 1.482 13.132 ( -0.724 -1.186 -1.230) 1.856 13.181 ( 0.837 0.563 -0.408) 1.088 13.192 ( -0.038 0.782 -1.015) 1.282 13.229 ( 0.369 0.613 -1.543) 1.701 13.336 ( 0.343 0.494 0.585) 0.839 13.362 ( -0.574 -0.859 -0.772) 1.290 13.382 ( -0.083 -0.195 -0.872) 0.897 17.292 ( -1.181 -1.175 -0.180) 1.676 17.359 ( 0.875 -0.249 -0.672) 1.131 17.403 ( -0.565 -0.861 -3.763) 3.902 17.442 ( -0.747 -0.457 -4.404) 4.490 17.642 ( 1.649 3.143 -0.194) 3.554 17.716 ( 0.846 1.042 -3.626) 3.867 17.827 ( -0.108 0.143 -0.782) 0.802 17.853 ( 0.064 1.132 -0.069) 1.136 17.866 ( 1.086 0.815 -0.612) 1.490 17.883 ( -0.237 -0.549 -0.079) 0.603 17.905 ( -0.084 0.383 2.469) 2.500 17.957 ( -0.441 -1.302 2.822) 3.139 17.984 ( 1.202 -1.540 2.364) 3.066 17.994 ( -0.664 -0.819 0.909) 1.392 18.003 ( -1.830 0.438 1.883) 2.662 18.128 ( 0.731 0.323 0.237) 0.833 18.192 ( -0.394 1.008 -0.664) 1.270 18.209 ( 0.553 -0.152 -1.930) 2.013 27.493 ( -0.464 -0.750 -0.030) 0.882 27.558 ( 0.152 -1.565 -0.243) 1.591 27.585 ( -1.211 0.397 -0.313) 1.312 27.695 ( 1.585 1.999 -3.825) 4.598 27.756 ( 2.353 4.102 -2.022) 5.143 28.054 ( -1.997 -3.439 -4.320) 5.872 28.459 ( -0.909 -0.061 6.333) 6.398 28.488 ( 1.385 0.361 5.448) 5.633 28.713 ( -1.506 0.004 2.725) 3.113 28.776 ( 2.261 1.766 0.777) 2.972 29.326 ( -0.764 -1.307 -2.009) 2.515 29.726 ( -2.682 -5.200 -3.821) 6.989 29.890 ( -2.159 -2.679 15.986) 16.352 30.250 ( -0.670 -1.726 5.809) 6.097 30.711 ( -3.954 -8.619 3.711) 10.183 31.059 ( 3.164 7.911 -2.348) 8.838 32.642 ( -1.434 -4.309 23.226) 23.666 32.941 ( -1.476 -1.320 7.881) 8.126 36.011 ( 0.096 -1.881 1.090) 2.176 36.058 ( -1.485 -0.056 0.311) 1.519 36.263 ( -2.152 -3.849 -0.969) 4.515 36.548 ( 4.545 7.446 -2.746) 9.146 36.982 ( 2.006 3.566 -13.725) 14.322 37.421 ( -0.709 -1.228 -7.858) 7.984 ======================= Grid point 52 (14/40) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.469 10.747 10.712) 15.181 1.164 ( 14.039 9.839 -6.749) 18.424 1.468 ( -7.489 -7.268 -4.506) 11.367 1.760 ( -4.852 -2.625 -4.625) 7.199 1.941 ( -3.931 7.866 4.315) 9.795 1.991 ( 12.156 3.122 14.295) 19.023 2.209 ( -0.607 -2.403 5.961) 6.456 2.293 ( 7.891 0.617 13.541) 15.684 2.431 ( -6.406 -0.815 15.953) 17.210 2.655 ( 2.855 1.233 0.210) 3.117 2.750 ( 6.132 7.518 -0.903) 9.743 2.912 ( -2.644 -4.985 0.646) 5.680 3.045 ( -3.819 -4.215 -1.573) 5.901 3.470 ( -2.815 -4.934 5.323) 7.785 3.638 ( -2.627 3.613 -0.866) 4.550 3.709 ( -2.540 -0.453 1.423) 2.947 3.770 ( 3.650 -0.149 -5.815) 6.867 3.915 ( -2.544 1.898 -0.828) 3.281 3.986 ( -0.827 -1.328 3.739) 4.053 4.148 ( 1.357 -2.365 0.799) 2.841 4.257 ( 1.217 0.469 -1.134) 1.728 4.288 ( 1.908 2.823 -7.282) 8.039 4.383 ( -2.358 -3.990 6.358) 7.868 4.425 ( -0.225 1.894 -6.381) 6.660 4.616 ( 1.102 -4.130 -8.372) 9.400 4.742 ( -0.531 -0.960 -0.377) 1.160 4.817 ( -2.120 1.611 2.349) 3.551 4.895 ( 2.642 0.233 3.154) 4.121 5.014 ( 0.452 1.814 1.060) 2.149 5.068 ( 1.491 0.860 2.332) 2.898 5.219 ( -0.686 -6.719 -5.883) 8.957 5.316 ( 0.292 4.200 -5.757) 7.132 5.368 ( -0.272 5.941 6.146) 8.553 5.514 ( 2.617 1.986 3.505) 4.804 5.595 ( -1.603 -0.838 -4.461) 4.814 5.642 ( -10.002 3.511 6.636) 12.506 5.832 ( 8.165 -5.511 0.350) 9.857 5.981 ( -2.335 -6.144 3.191) 7.306 6.025 ( -1.561 0.123 1.987) 2.530 6.127 ( 2.004 -3.974 2.206) 4.968 6.278 ( -0.280 0.668 -5.160) 5.211 6.415 ( -0.506 3.554 -2.354) 4.293 12.720 ( -0.132 -0.957 1.838) 2.076 12.812 ( -0.282 1.331 0.901) 1.632 12.854 ( 0.316 -0.402 0.426) 0.665 12.933 ( -0.201 -0.677 0.500) 0.865 13.040 ( 0.371 1.496 0.311) 1.572 13.109 ( -0.074 -1.580 -0.753) 1.751 13.187 ( -0.963 1.402 -1.038) 1.992 13.213 ( 1.273 0.138 -0.958) 1.599 13.233 ( -0.175 -0.362 -1.465) 1.520 13.337 ( 0.013 -0.947 -0.741) 1.202 13.358 ( 0.354 0.743 -0.348) 0.894 13.375 ( -0.490 -0.113 -0.620) 0.799 17.273 ( -0.290 0.032 -0.407) 0.501 17.358 ( -1.221 0.999 -0.609) 1.691 17.392 ( 0.067 -0.659 -4.676) 4.723 17.427 ( 0.683 -1.619 -2.863) 3.359 17.697 ( 1.160 1.799 -1.590) 2.667 17.739 ( 0.286 0.535 -3.938) 3.984 17.829 ( 0.280 0.017 -0.776) 0.825 17.862 ( -0.484 -0.942 -0.210) 1.079 17.869 ( 0.083 1.338 0.315) 1.377 17.889 ( 0.005 0.930 0.315) 0.981 17.909 ( 0.418 0.006 1.538) 1.594 17.934 ( -0.620 -1.088 1.948) 2.316 17.969 ( -1.058 -0.175 2.783) 2.983 17.974 ( -0.817 -0.279 2.312) 2.468 17.999 ( 1.795 -1.692 2.496) 3.509 18.141 ( -0.725 1.750 0.162) 1.901 18.192 ( -0.058 -0.044 -0.501) 0.506 18.214 ( 0.657 -0.921 -1.117) 1.589 27.491 ( 0.582 0.145 -0.006) 0.600 27.530 ( -1.011 -1.492 -0.224) 1.816 27.583 ( 0.327 0.137 -0.073) 0.362 27.723 ( -0.925 2.682 -2.946) 4.090 27.851 ( 3.855 2.144 -3.236) 5.471 27.972 ( -2.733 -3.420 -4.426) 6.225 28.436 ( -0.036 -1.379 9.389) 9.490 28.526 ( -0.199 3.010 5.809) 6.546 28.675 ( -0.238 -2.285 2.937) 3.729 28.820 ( 0.599 0.780 1.028) 1.422 29.384 ( 3.433 4.608 -6.295) 8.523 29.596 ( -5.253 -4.205 -5.498) 8.689 29.863 ( 0.826 -1.382 9.003) 9.146 30.218 ( -3.450 3.224 9.482) 10.593 30.596 ( 5.038 -14.625 5.134) 16.298 31.162 ( -2.605 10.618 -2.640) 11.247 32.625 ( -2.681 4.461 14.824) 15.712 32.908 ( 2.412 -5.538 9.027) 10.862 36.007 ( -0.458 -0.117 1.867) 1.926 36.020 ( -1.892 1.619 0.271) 2.505 36.220 ( 3.813 -8.236 -0.995) 9.131 36.670 ( -2.503 11.232 -4.151) 12.233 37.007 ( 1.902 -3.534 -7.763) 8.739 37.399 ( -0.379 -0.560 -8.979) 9.005 ======================= Grid point 53 (15/40) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -9.059 5.671 9.184) 14.091 1.168 ( -14.997 -7.367 -4.139) 17.214 1.479 ( 11.408 2.726 -5.468) 12.941 1.697 ( -2.529 3.269 -2.339) 4.749 1.950 ( -1.163 2.025 4.454) 5.029 2.117 ( -4.629 1.601 14.837) 15.624 2.128 ( -2.704 -8.026 3.640) 9.218 2.268 ( -0.923 -2.977 13.149) 13.514 2.455 ( 3.859 3.548 16.562) 17.371 2.635 ( -5.042 -0.964 -2.918) 5.905 2.746 ( -6.802 -1.927 1.792) 7.293 2.954 ( 3.542 -2.138 0.838) 4.221 3.022 ( 6.905 2.571 -2.053) 7.649 3.470 ( 5.425 0.031 4.657) 7.149 3.643 ( -1.651 4.973 0.227) 5.245 3.692 ( 0.392 0.518 -0.146) 0.666 3.779 ( -0.964 -2.544 -7.546) 8.021 3.940 ( 2.110 4.662 8.496) 9.918 3.965 ( -0.256 -1.505 -2.825) 3.211 4.135 ( 0.133 -2.074 -1.144) 2.372 4.254 ( -1.602 -0.637 1.717) 2.434 4.321 ( -0.408 -2.690 -3.694) 4.588 4.355 ( 0.272 2.562 -6.017) 6.545 4.426 ( 1.141 0.621 0.535) 1.405 4.631 ( 4.186 -3.634 -7.083) 8.994 4.737 ( 0.622 0.228 -0.913) 1.128 4.796 ( -2.214 2.775 2.282) 4.220 4.910 ( -0.325 -1.875 3.287) 3.798 5.031 ( -0.441 0.319 1.985) 2.058 5.067 ( -1.974 -1.442 0.260) 2.458 5.184 ( 2.725 -0.324 -5.236) 5.912 5.322 ( -2.556 1.338 -2.431) 3.773 5.421 ( -1.607 -0.823 8.623) 8.810 5.485 ( -3.809 1.144 -0.458) 4.003 5.591 ( -0.861 9.429 -1.204) 9.545 5.617 ( 2.543 0.274 -1.480) 2.955 5.867 ( 1.100 -8.879 5.140) 10.318 5.964 ( 6.747 0.154 1.258) 6.865 6.013 ( -0.061 1.270 2.657) 2.946 6.147 ( 3.987 -4.184 2.855) 6.447 6.272 ( -1.136 1.044 -5.811) 6.013 6.414 ( -2.912 2.251 -2.486) 4.441 12.720 ( 0.894 -0.365 1.842) 2.080 12.812 ( -1.006 0.911 0.898) 1.628 12.854 ( 0.181 -0.474 0.421) 0.659 12.933 ( 0.675 -0.160 0.494) 0.852 13.040 ( -1.459 0.417 0.320) 1.551 13.108 ( 1.422 -0.731 -0.726) 1.756 13.184 ( -0.870 1.410 -0.916) 1.893 13.216 ( -0.688 -0.970 -1.409) 1.844 13.232 ( 0.459 0.037 -1.145) 1.234 13.335 ( 0.651 -0.404 -0.823) 1.124 13.360 ( -0.673 -0.097 -0.201) 0.709 13.374 ( 0.348 0.453 -0.703) 0.906 17.277 ( 0.422 0.152 -0.440) 0.628 17.351 ( -0.786 1.550 -0.442) 1.793 17.391 ( 0.532 -0.335 -5.133) 5.171 17.432 ( 1.304 -1.330 -2.523) 3.136 17.701 ( -1.980 -0.294 -1.323) 2.399 17.733 ( -0.816 0.234 -4.247) 4.331 17.832 ( 0.047 -0.393 -1.003) 1.078 17.862 ( 0.937 0.037 0.192) 0.957 17.873 ( -0.803 0.631 -0.325) 1.072 17.885 ( -1.154 0.352 0.897) 1.503 17.916 ( -0.194 -0.753 1.313) 1.526 17.927 ( 1.130 0.553 2.222) 2.554 17.960 ( 0.064 0.633 3.061) 3.126 17.975 ( 0.789 0.158 1.836) 2.005 18.009 ( 1.212 -1.921 2.563) 3.425 18.137 ( -1.449 1.544 0.106) 2.120 18.197 ( 0.512 0.362 -0.678) 0.924 18.211 ( 0.173 -1.328 -0.897) 1.612 27.493 ( -0.429 -0.519 -0.074) 0.678 27.525 ( 1.415 0.323 -0.047) 1.452 27.589 ( 0.346 -0.425 -0.169) 0.573 27.722 ( -2.041 2.236 -3.156) 4.373 27.850 ( -3.808 -2.227 -2.973) 5.320 27.972 ( 4.309 0.624 -4.499) 6.261 28.438 ( 1.567 -0.820 9.798) 9.957 28.519 ( -3.041 1.867 4.916) 6.075 28.685 ( 2.876 -1.150 4.058) 5.105 28.814 ( -1.606 0.068 0.366) 1.648 29.383 ( -5.700 -0.653 -6.296) 8.518 29.595 ( 6.106 2.448 -5.466) 8.553 29.868 ( 1.180 -1.529 9.058) 9.261 30.214 ( -1.336 4.695 9.466) 10.651 30.592 ( 9.542 -11.307 5.180) 15.676 31.171 ( -6.968 7.102 -2.857) 10.351 32.613 ( -3.183 4.569 15.002) 16.002 32.916 ( 3.972 -4.775 8.986) 10.924 35.990 ( -0.609 1.081 1.097) 1.656 36.040 ( 0.591 1.832 1.179) 2.257 36.218 ( 5.249 -7.613 -1.168) 9.321 36.668 ( -8.626 7.843 -4.117) 12.364 37.008 ( 2.136 -3.408 -7.763) 8.743 37.399 ( 0.675 0.048 -8.979) 9.005 ======================= Grid point 58 (16/40) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.000 -0.000 9.773) 9.773 1.317 ( -2.782 -5.565 -6.361) 8.898 1.317 ( 2.782 5.565 -6.361) 8.898 1.728 ( -0.000 -0.000 -6.582) 6.582 2.030 ( -2.337 -4.673 4.044) 6.607 2.030 ( 2.337 4.673 4.044) 6.607 2.178 ( -0.000 -0.000 9.633) 9.633 2.352 ( -2.753 -5.507 18.488) 19.486 2.352 ( 2.753 5.507 18.488) 19.486 2.647 ( -0.000 -0.000 1.195) 1.195 2.888 ( 0.000 0.000 2.940) 2.940 2.912 ( -2.917 -5.834 -2.373) 6.941 2.912 ( 2.917 5.834 -2.373) 6.941 3.418 ( -0.000 -0.000 4.691) 4.691 3.691 ( -0.738 -1.475 3.015) 3.437 3.691 ( 0.738 1.475 3.015) 3.437 3.777 ( -0.000 -0.000 -9.808) 9.808 3.957 ( -0.204 -0.408 2.885) 2.920 3.957 ( 0.204 0.408 2.885) 2.920 4.106 ( -0.000 -0.000 1.999) 1.999 4.289 ( -1.069 -2.138 -1.508) 2.826 4.289 ( 1.069 2.138 -1.508) 2.826 4.338 ( -0.000 -0.000 4.865) 4.865 4.510 ( -2.561 -5.122 -12.843) 14.062 4.510 ( 2.561 5.122 -12.843) 14.062 4.730 ( -0.000 -0.000 -0.647) 0.647 4.864 ( -1.262 -2.524 3.181) 4.252 4.864 ( 1.262 2.524 3.181) 4.252 5.035 ( -0.000 -0.000 3.102) 3.102 5.108 ( -1.530 -3.059 -1.954) 3.939 5.108 ( 1.530 3.059 -1.954) 3.939 5.418 ( -1.536 -3.071 -0.943) 3.561 5.418 ( 1.536 3.071 -0.943) 3.561 5.567 ( -0.931 -1.861 5.059) 5.470 5.567 ( 0.931 1.861 5.059) 5.470 5.655 ( 0.000 -0.000 -10.776) 10.776 5.832 ( -2.449 -4.897 3.002) 6.244 5.832 ( 2.449 4.897 3.002) 6.244 6.055 ( -1.323 -2.646 5.433) 6.187 6.055 ( 1.323 2.646 5.433) 6.187 6.290 ( -0.000 -0.000 -6.456) 6.456 6.455 ( -0.000 -0.000 -2.954) 2.954 12.709 ( -0.000 -0.000 1.868) 1.868 12.839 ( -0.478 -0.956 0.623) 1.238 12.839 ( 0.478 0.956 0.623) 1.238 12.925 ( -0.000 -0.000 0.514) 0.514 13.074 ( -0.759 -1.519 0.056) 1.699 13.074 ( 0.759 1.519 0.056) 1.699 13.211 ( -0.327 -0.655 -1.051) 1.281 13.211 ( 0.327 0.655 -1.051) 1.281 13.222 ( 0.000 -0.000 -1.756) 1.756 13.325 ( -0.000 -0.000 -0.935) 0.935 13.370 ( -0.166 -0.332 -0.499) 0.622 13.370 ( 0.166 0.332 -0.499) 0.622 17.276 ( -0.000 -0.000 -0.526) 0.526 17.383 ( -0.000 -0.000 -4.990) 4.990 17.388 ( -0.843 -1.685 -1.371) 2.330 17.388 ( 0.843 1.685 -1.371) 2.330 17.731 ( -0.528 -1.057 -3.099) 3.316 17.731 ( 0.528 1.057 -3.099) 3.316 17.840 ( -0.429 -0.858 -0.481) 1.073 17.840 ( 0.429 0.858 -0.481) 1.073 17.888 ( -0.000 -0.000 0.522) 0.522 17.905 ( -0.000 -0.000 1.711) 1.711 17.914 ( -0.141 -0.283 0.608) 0.686 17.914 ( 0.141 0.283 0.608) 0.686 17.968 ( -0.280 -0.561 3.150) 3.211 17.968 ( 0.280 0.561 3.150) 3.211 17.976 ( 0.000 -0.000 2.347) 2.347 18.178 ( -0.744 -1.488 -0.313) 1.693 18.178 ( 0.744 1.488 -0.313) 1.693 18.197 ( -0.000 -0.000 -0.445) 0.445 27.503 ( -0.422 -0.845 -0.108) 0.950 27.503 ( 0.422 0.845 -0.108) 0.950 27.584 ( -0.000 -0.000 0.197) 0.197 27.759 ( -0.000 -0.000 -3.248) 3.248 27.901 ( -1.346 -2.692 -3.837) 4.877 27.901 ( 1.346 2.692 -3.837) 4.877 28.419 ( -0.000 -0.000 10.111) 10.111 28.603 ( -1.874 -3.747 5.159) 6.646 28.603 ( 1.874 3.747 5.159) 6.646 28.832 ( -0.000 -0.000 -0.958) 0.958 29.496 ( -2.453 -4.906 -6.310) 8.360 29.496 ( 2.453 4.906 -6.310) 8.360 29.843 ( -0.000 -0.000 6.082) 6.082 30.346 ( -4.097 -8.195 8.866) 12.749 30.346 ( 4.097 8.195 8.866) 12.749 31.278 ( -0.000 -0.000 -3.794) 3.794 32.761 ( -3.569 -7.139 11.314) 13.846 32.761 ( 3.569 7.139 11.314) 13.846 36.009 ( -0.000 -0.000 2.183) 2.183 36.082 ( -2.047 -4.094 -0.248) 4.584 36.082 ( 2.047 4.094 -0.248) 4.584 36.880 ( -3.787 -7.574 -5.612) 10.159 36.880 ( 3.787 7.574 -5.612) 10.159 37.393 ( 0.000 -0.000 -9.272) 9.272 ======================= Grid point 86 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.000 -0.000 23.536) 23.536 1.042 ( 0.000 -0.000 23.536) 23.536 1.622 ( 0.000 0.000 -1.280) 1.280 1.622 ( 0.000 0.000 -1.280) 1.280 1.883 ( 0.000 -0.000 44.414) 44.414 2.239 ( 0.000 0.000 3.274) 3.274 2.239 ( 0.000 0.000 3.274) 3.274 2.312 ( 0.000 0.000 -1.583) 1.583 2.314 ( 0.000 -0.000 6.082) 6.082 2.314 ( -0.000 -0.000 6.082) 6.082 2.788 ( -0.000 0.000 18.335) 18.335 3.111 ( -0.000 0.000 -5.361) 5.361 3.111 ( -0.000 0.000 -5.361) 5.361 3.436 ( 0.000 0.000 -4.113) 4.113 3.436 ( 0.000 0.000 -4.113) 4.113 3.606 ( 0.000 0.000 -17.224) 17.224 3.995 ( 0.000 0.000 -4.837) 4.837 3.995 ( 0.000 -0.000 -4.837) 4.837 3.998 ( 0.000 -0.000 2.029) 2.029 4.146 ( 0.000 -0.000 4.155) 4.155 4.146 ( 0.000 0.000 4.155) 4.155 4.484 ( 0.000 0.000 10.356) 10.356 4.618 ( 0.000 -0.000 1.906) 1.906 4.618 ( 0.000 0.000 1.906) 1.906 4.641 ( -0.000 -0.000 -11.269) 11.269 4.641 ( 0.000 0.000 -11.269) 11.269 4.774 ( 0.000 0.000 -3.428) 3.428 4.891 ( 0.000 0.000 6.000) 6.000 5.006 ( 0.000 0.000 2.023) 2.023 5.006 ( 0.000 0.000 2.023) 2.023 5.195 ( 0.000 -0.000 1.623) 1.623 5.387 ( 0.000 0.000 5.486) 5.486 5.494 ( 0.000 0.000 12.172) 12.172 5.494 ( -0.000 -0.000 12.172) 12.172 5.731 ( -0.000 0.000 -1.319) 1.319 5.749 ( 0.000 0.000 -10.596) 10.596 5.749 ( 0.000 0.000 -10.596) 10.596 5.834 ( 0.000 0.000 -4.670) 4.670 5.955 ( -0.000 0.000 -7.614) 7.614 6.392 ( 0.000 -0.000 0.333) 0.333 6.392 ( 0.000 0.000 0.333) 0.333 6.422 ( -0.000 0.000 -4.673) 4.673 12.813 ( 0.000 0.000 2.221) 2.221 12.813 ( -0.000 0.000 2.221) 2.221 12.880 ( -0.000 -0.000 -0.162) 0.162 12.973 ( 0.000 0.000 -0.632) 0.632 12.973 ( 0.000 0.000 -0.632) 0.632 13.088 ( 0.000 0.000 -4.610) 4.610 13.179 ( -0.000 0.000 0.008) 0.008 13.179 ( -0.000 -0.000 0.008) 0.008 13.189 ( 0.000 0.000 1.942) 1.942 13.349 ( 0.000 0.000 0.567) 0.567 13.353 ( -0.000 -0.000 -2.083) 2.083 13.353 ( 0.000 0.000 -2.083) 2.083 17.351 ( 0.000 0.000 -0.340) 0.340 17.351 ( -0.000 0.000 -0.340) 0.340 17.395 ( -0.000 0.000 -1.566) 1.566 17.395 ( -0.000 -0.000 -1.566) 1.566 17.571 ( 0.000 0.000 1.711) 1.711 17.688 ( 0.000 0.000 1.651) 1.651 17.810 ( -0.000 0.000 -1.129) 1.129 17.810 ( -0.000 0.000 -1.129) 1.129 17.820 ( 0.000 0.000 -0.517) 0.517 17.820 ( 0.000 -0.000 -0.517) 0.517 17.881 ( 0.000 -0.000 -1.364) 1.364 18.008 ( 0.000 -0.000 -0.734) 0.734 18.017 ( 0.000 -0.000 1.537) 1.537 18.057 ( 0.000 -0.000 1.943) 1.943 18.057 ( 0.000 -0.000 1.943) 1.943 18.115 ( 0.000 0.000 -0.068) 0.068 18.164 ( 0.000 0.000 -0.504) 0.504 18.164 ( 0.000 0.000 -0.504) 0.504 27.555 ( 0.000 0.000 -0.490) 0.490 27.555 ( 0.000 0.000 -0.490) 0.490 27.598 ( 0.000 0.000 0.276) 0.276 27.599 ( -0.000 0.000 -0.403) 0.403 27.599 ( -0.000 0.000 -0.403) 0.403 28.049 ( -0.000 0.000 -5.630) 5.630 28.505 ( -0.000 -0.000 3.593) 3.593 28.505 ( 0.000 -0.000 3.593) 3.593 28.740 ( 0.000 0.000 1.042) 1.042 28.740 ( -0.000 0.000 1.042) 1.042 29.497 ( 0.000 -0.000 -1.355) 1.355 29.774 ( 0.000 -0.000 -4.452) 4.452 30.395 ( 0.000 0.000 5.058) 5.058 30.395 ( 0.000 -0.000 5.058) 5.058 30.835 ( 0.000 -0.000 -2.476) 2.476 30.835 ( -0.000 0.000 -2.476) 2.476 33.155 ( 0.000 -0.000 11.476) 11.476 33.666 ( 0.000 0.000 3.155) 3.155 36.085 ( -0.000 0.000 0.449) 0.449 36.085 ( 0.000 0.000 0.449) 0.449 36.305 ( 0.000 0.000 -2.801) 2.801 36.305 ( 0.000 -0.000 -2.801) 2.801 36.350 ( 0.000 0.000 0.994) 0.994 37.274 ( -0.000 -0.000 -11.395) 11.395 ======================= Grid point 87 (18/40) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -5.067 -2.141 22.420) 23.085 1.049 ( 1.836 -0.055 20.965) 21.046 1.662 ( 0.658 1.572 0.660) 1.827 1.678 ( 3.115 1.691 -0.030) 3.544 2.028 ( 8.597 3.506 24.268) 25.983 2.185 ( -1.534 -5.329 10.678) 12.032 2.220 ( -3.040 3.860 4.950) 6.974 2.313 ( 2.849 2.397 4.297) 5.685 2.405 ( 10.029 2.784 8.165) 13.229 2.419 ( 4.008 4.118 1.137) 5.858 2.840 ( 3.569 2.069 18.900) 19.345 3.077 ( -2.590 -1.242 -4.185) 5.075 3.133 ( 1.080 0.231 -3.942) 4.093 3.453 ( 0.770 1.007 -5.263) 5.414 3.501 ( 5.229 2.385 -4.702) 7.426 3.610 ( 0.318 0.408 -14.085) 14.094 3.886 ( -3.324 -1.962 -0.619) 3.909 3.926 ( -4.388 -2.396 -2.019) 5.392 4.013 ( -3.508 -2.617 1.684) 4.689 4.115 ( -3.169 -1.191 0.890) 3.501 4.206 ( 4.950 2.879 -0.907) 5.798 4.434 ( -3.335 -2.197 8.244) 9.160 4.522 ( -7.722 -4.019 2.394) 9.028 4.592 ( -1.475 -2.469 -9.048) 9.494 4.661 ( 0.418 2.024 -6.949) 7.250 4.687 ( 5.165 2.353 -1.087) 5.779 4.774 ( -7.019 -3.818 5.598) 9.756 4.830 ( 2.331 1.398 -1.312) 3.019 4.997 ( 0.387 0.281 -0.389) 0.617 5.027 ( 1.506 0.679 3.397) 3.777 5.285 ( 3.447 1.557 -0.561) 3.824 5.371 ( -7.198 -2.312 5.062) 9.098 5.412 ( -0.224 -0.278 5.186) 5.198 5.470 ( 0.423 -4.306 6.141) 7.512 5.568 ( -6.534 0.335 -1.444) 6.700 5.722 ( -0.876 -0.724 -5.835) 5.945 5.866 ( 3.532 1.067 -5.504) 6.626 5.950 ( 6.700 3.955 -6.999) 10.465 5.990 ( 2.247 1.525 -2.509) 3.698 6.311 ( -7.592 -4.598 0.810) 8.912 6.367 ( -2.220 -1.162 0.135) 2.509 6.373 ( -1.546 -0.798 0.811) 1.920 12.804 ( -0.668 -0.382 2.474) 2.591 12.817 ( 0.274 0.151 2.013) 2.037 12.870 ( -0.581 -0.332 0.087) 0.674 12.968 ( -0.381 -0.206 -0.197) 0.476 12.988 ( 1.176 0.666 -0.316) 1.388 13.088 ( 0.046 0.021 -3.881) 3.881 13.173 ( -0.430 -0.480 -0.011) 0.645 13.186 ( -0.147 0.753 0.131) 0.778 13.192 ( 0.886 -0.095 0.491) 1.017 13.344 ( -0.628 -0.131 -0.747) 0.985 13.349 ( -0.059 -0.409 -1.051) 1.129 13.355 ( 0.011 0.155 -1.828) 1.835 17.320 ( -2.042 -1.149 -0.237) 2.355 17.345 ( -0.553 -0.841 -0.591) 1.167 17.362 ( -1.945 -0.384 -1.672) 2.594 17.395 ( 0.063 -0.211 -1.779) 1.792 17.604 ( 2.249 1.255 1.176) 2.831 17.665 ( -0.840 -0.421 -0.504) 1.066 17.812 ( 0.281 0.026 -1.105) 1.141 17.816 ( 0.638 0.364 -0.757) 1.055 17.837 ( 1.122 0.752 -0.565) 1.464 17.867 ( 0.661 0.393 -1.422) 1.616 17.922 ( 3.593 2.040 0.932) 4.235 17.997 ( -1.130 -0.577 -0.698) 1.448 18.017 ( 0.152 0.142 1.459) 1.474 18.028 ( -1.181 -0.739 1.501) 2.048 18.052 ( -0.025 -0.017 1.822) 1.823 18.125 ( -0.036 -0.156 0.290) 0.332 18.167 ( 0.122 0.768 -0.820) 1.130 18.173 ( 0.904 -0.070 -0.506) 1.038 27.518 ( -1.526 -0.884 0.434) 1.816 27.560 ( 0.272 0.373 -0.284) 0.542 27.587 ( -0.610 -0.951 -0.352) 1.183 27.615 ( 0.896 1.019 -0.887) 1.621 27.657 ( 3.386 1.838 -1.099) 4.006 28.012 ( -2.707 -1.562 -5.384) 6.225 28.521 ( 1.284 0.655 3.848) 4.110 28.566 ( 4.041 2.496 4.101) 6.275 28.734 ( -0.214 -0.622 1.038) 1.229 28.763 ( 1.920 1.535 0.898) 2.617 29.417 ( -5.936 -3.434 -0.146) 6.859 29.722 ( -4.271 -2.439 -4.849) 6.907 30.273 ( -7.276 -4.374 9.179) 12.503 30.380 ( -1.136 -0.514 5.607) 5.744 30.846 ( 0.359 1.368 -2.313) 2.711 30.874 ( 2.470 0.258 -2.553) 3.562 33.155 ( -0.419 -0.164 11.859) 11.867 33.368 ( -16.689 -9.697 17.323) 25.935 36.059 ( -2.214 -0.240 0.745) 2.349 36.080 ( 0.384 -1.001 1.411) 1.772 36.314 ( 0.414 0.750 -3.008) 3.127 36.362 ( 1.199 0.380 -0.622) 1.403 36.525 ( 12.690 7.311 -10.925) 18.271 37.254 ( -1.651 -0.953 -11.560) 11.716 ======================= Grid point 88 (19/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.206 3.114 10.096) 10.793 1.140 ( 8.156 0.983 16.364) 18.311 1.601 ( -6.572 -4.555 2.091) 8.265 1.725 ( -2.399 5.813 1.807) 6.543 2.018 ( -2.336 -5.885 7.045) 9.472 2.194 ( 3.516 -2.264 3.651) 5.552 2.267 ( 3.570 3.027 6.836) 8.285 2.506 ( 5.056 8.738 3.813) 10.792 2.521 ( 4.961 4.583 5.803) 8.905 2.648 ( 11.431 2.354 15.556) 19.448 2.925 ( 2.892 2.113 20.323) 20.636 3.013 ( -2.688 -0.737 -2.275) 3.598 3.114 ( -1.898 -3.104 3.867) 5.310 3.471 ( 0.208 0.906 -6.227) 6.296 3.591 ( 0.841 -1.594 -4.447) 4.798 3.670 ( 4.339 6.116 -2.302) 7.844 3.802 ( -2.250 -2.188 0.887) 3.261 3.871 ( -0.592 -3.856 -1.833) 4.310 3.920 ( -4.018 1.893 -5.075) 6.744 4.044 ( 0.096 -2.655 -0.729) 2.755 4.259 ( -3.568 0.008 -1.808) 4.000 4.309 ( -9.455 -3.045 -1.455) 10.039 4.408 ( 3.407 0.219 7.109) 7.886 4.559 ( 2.843 -5.604 -7.789) 10.008 4.628 ( -5.269 -2.107 4.334) 7.141 4.666 ( -3.626 3.474 -5.078) 7.141 4.818 ( 4.678 3.728 -1.977) 6.299 4.851 ( 0.314 -1.020 2.152) 2.402 5.035 ( 2.060 2.575 -3.134) 4.549 5.054 ( 0.963 -0.340 3.723) 3.861 5.200 ( -6.121 -1.673 -0.450) 6.362 5.262 ( -2.533 -6.771 -4.204) 8.362 5.370 ( -1.780 -1.800 1.010) 2.725 5.496 ( -0.813 0.097 -2.603) 2.728 5.525 ( 1.283 3.494 4.135) 5.563 5.749 ( 1.771 4.630 2.353) 5.488 5.933 ( 4.563 -2.207 -4.700) 6.913 6.026 ( 0.151 1.046 -0.165) 1.070 6.084 ( 3.143 0.644 -5.331) 6.222 6.118 ( -6.611 -3.205 6.028) 9.503 6.307 ( -2.719 -0.532 0.184) 2.777 6.331 ( -1.603 -1.194 0.510) 2.063 12.787 ( -0.617 -0.351 2.958) 3.042 12.821 ( 0.062 0.006 1.580) 1.582 12.862 ( -0.060 -0.009 0.044) 0.075 12.957 ( -0.412 -0.189 0.605) 0.755 13.024 ( 1.716 0.950 0.404) 2.003 13.089 ( -0.037 -0.062 -2.519) 2.520 13.157 ( -0.579 -0.559 -0.567) 0.985 13.191 ( -0.190 0.738 -0.865) 1.153 13.209 ( 0.779 -0.195 -0.473) 0.932 13.328 ( -0.840 0.120 -1.693) 1.893 13.344 ( 0.214 -0.835 -0.833) 1.199 13.354 ( -0.269 0.251 -1.267) 1.319 17.276 ( -1.319 -0.888 -0.459) 1.655 17.312 ( -1.070 -0.912 -2.985) 3.300 17.346 ( -0.627 0.486 -0.061) 0.796 17.393 ( 0.105 -0.364 -2.160) 2.193 17.644 ( 0.704 -0.054 -1.622) 1.769 17.670 ( 1.172 1.200 -0.420) 1.729 17.818 ( 0.315 -0.096 -0.975) 1.029 17.837 ( 0.904 0.606 -0.299) 1.128 17.862 ( 0.197 0.055 -1.039) 1.059 17.875 ( 0.777 0.541 -0.178) 0.964 17.955 ( -0.095 -1.664 0.862) 1.876 17.963 ( -1.598 0.659 0.494) 1.798 18.014 ( -0.234 0.054 1.459) 1.479 18.026 ( -0.221 0.154 2.491) 2.505 18.077 ( 1.725 0.583 1.996) 2.702 18.114 ( -0.373 -0.243 -0.148) 0.469 18.177 ( -0.022 0.774 -1.451) 1.645 18.190 ( 0.818 -0.227 -0.603) 1.041 27.498 ( -0.099 -0.052 0.680) 0.690 27.552 ( -1.510 -0.370 0.195) 1.566 27.579 ( 0.759 -0.478 -0.247) 0.930 27.641 ( 0.664 0.911 -1.302) 1.722 27.743 ( 3.762 2.040 -2.576) 4.996 27.934 ( -3.604 -2.070 -4.983) 6.489 28.561 ( 2.111 0.705 4.528) 5.046 28.642 ( 0.411 2.439 6.303) 6.771 28.726 ( 1.268 -2.211 1.666) 3.045 28.840 ( 2.920 2.999 1.103) 4.329 29.287 ( -2.939 -1.723 -0.598) 3.459 29.577 ( -7.328 -4.136 -5.321) 9.956 30.133 ( -3.532 -2.549 10.979) 11.811 30.352 ( -1.201 -0.290 6.940) 7.049 30.872 ( -1.217 4.855 -2.175) 5.457 30.904 ( 3.007 -3.960 -1.804) 5.289 33.027 ( -7.699 -3.724 21.289) 22.943 33.195 ( 0.241 -0.456 13.206) 13.216 36.015 ( -1.977 -0.172 1.203) 2.320 36.079 ( 0.633 -1.082 3.263) 3.496 36.329 ( 0.112 0.996 -3.312) 3.460 36.389 ( 1.127 0.227 -3.207) 3.407 36.772 ( 7.253 4.152 -12.654) 15.165 37.202 ( -2.382 -1.375 -12.396) 12.697 ======================= Grid point 89 (20/40) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 0.000 2.957) 2.957 1.328 ( 0.000 0.000 10.230) 10.230 1.400 ( -0.000 0.000 6.377) 6.377 1.727 ( 0.000 0.000 2.700) 2.700 1.962 ( 0.000 0.000 7.247) 7.247 2.210 ( 0.000 0.000 -1.577) 1.577 2.338 ( 0.000 0.000 7.704) 7.704 2.546 ( 0.000 0.000 -1.672) 1.672 2.663 ( 0.000 -0.000 7.589) 7.589 2.780 ( 0.000 0.000 16.386) 16.386 2.963 ( 0.000 0.000 3.969) 3.969 3.012 ( 0.000 0.000 11.991) 11.991 3.030 ( 0.000 0.000 13.739) 13.739 3.480 ( 0.000 0.000 -6.274) 6.274 3.577 ( 0.000 0.000 3.203) 3.203 3.778 ( 0.000 0.000 1.962) 1.962 3.782 ( 0.000 -0.000 2.269) 2.269 3.810 ( 0.000 0.000 -4.733) 4.733 3.893 ( 0.000 0.000 -6.621) 6.621 4.097 ( 0.000 0.000 -5.277) 5.277 4.124 ( -0.000 -0.000 -2.114) 2.114 4.228 ( 0.000 0.000 -4.350) 4.350 4.452 ( -0.000 0.000 5.929) 5.929 4.562 ( 0.000 0.000 2.330) 2.330 4.594 ( -0.000 0.000 -8.270) 8.270 4.609 ( 0.000 -0.000 -2.670) 2.670 4.842 ( 0.000 0.000 4.042) 4.042 4.897 ( 0.000 0.000 -3.005) 3.005 5.055 ( 0.000 0.000 0.846) 0.846 5.096 ( 0.000 0.000 -2.385) 2.385 5.135 ( 0.000 0.000 -3.803) 3.803 5.164 ( 0.000 -0.000 -1.688) 1.688 5.345 ( 0.000 0.000 -0.109) 0.109 5.473 ( 0.000 0.000 -4.030) 4.030 5.571 ( 0.000 0.000 2.482) 2.482 5.829 ( 0.000 0.000 10.356) 10.356 5.944 ( -0.000 -0.000 -3.499) 3.499 6.018 ( -0.000 0.000 -1.449) 1.449 6.024 ( 0.000 0.000 0.495) 0.495 6.129 ( 0.000 0.000 -1.419) 1.419 6.286 ( 0.000 0.000 5.614) 5.614 6.301 ( 0.000 -0.000 -5.169) 5.169 12.779 ( 0.000 0.000 3.191) 3.191 12.821 ( 0.000 0.000 1.377) 1.377 12.863 ( 0.000 0.000 -0.120) 0.120 12.952 ( 0.000 0.000 0.977) 0.977 13.053 ( 0.000 -0.000 1.304) 1.304 13.084 ( 0.000 0.000 -2.034) 2.034 13.148 ( 0.000 0.000 -1.141) 1.141 13.193 ( 0.000 0.000 -1.942) 1.942 13.214 ( 0.000 0.000 -0.312) 0.312 13.321 ( 0.000 0.000 -1.692) 1.692 13.341 ( 0.000 0.000 -1.490) 1.490 13.352 ( 0.000 0.000 -0.762) 0.762 17.259 ( 0.000 0.000 -0.580) 0.580 17.297 ( 0.000 0.000 -3.498) 3.498 17.343 ( 0.000 0.000 0.219) 0.219 17.392 ( 0.000 0.000 -2.342) 2.342 17.648 ( 0.000 0.000 -2.878) 2.878 17.692 ( 0.000 0.000 -0.453) 0.453 17.821 ( 0.000 0.000 -0.803) 0.803 17.851 ( 0.000 0.000 -0.030) 0.030 17.858 ( 0.000 0.000 -0.756) 0.756 17.891 ( 0.000 0.000 -0.104) 0.104 17.941 ( -0.000 0.000 -0.010) 0.010 17.950 ( 0.000 -0.000 1.240) 1.240 18.014 ( 0.000 0.000 2.361) 2.361 18.019 ( 0.000 0.000 2.058) 2.058 18.095 ( 0.000 -0.000 2.605) 2.605 18.111 ( 0.000 0.000 0.093) 0.093 18.183 ( 0.000 -0.000 -0.715) 0.715 18.195 ( 0.000 0.000 -1.738) 1.738 27.504 ( -0.000 0.000 0.458) 0.458 27.527 ( 0.000 0.000 0.560) 0.560 27.584 ( 0.000 0.000 -0.068) 0.068 27.652 ( 0.000 -0.000 -1.343) 1.343 27.818 ( 0.000 0.000 -3.468) 3.468 27.860 ( -0.000 0.000 -4.569) 4.569 28.592 ( 0.000 0.000 5.399) 5.399 28.646 ( -0.000 0.000 5.292) 5.292 28.731 ( 0.000 0.000 4.230) 4.230 28.882 ( 0.000 0.000 2.476) 2.476 29.291 ( 0.000 0.000 -3.947) 3.947 29.445 ( 0.000 0.000 -4.856) 4.856 30.090 ( 0.000 0.000 10.550) 10.550 30.339 ( 0.000 0.000 7.695) 7.695 30.891 ( 0.000 0.000 -2.401) 2.401 30.907 ( 0.000 -0.000 -1.249) 1.249 32.940 ( 0.000 0.000 21.227) 21.227 33.199 ( 0.000 0.000 12.569) 12.569 35.995 ( 0.000 0.000 1.415) 1.415 36.079 ( 0.000 0.000 4.141) 4.141 36.336 ( -0.000 0.000 -3.401) 3.401 36.401 ( 0.000 -0.000 -4.517) 4.517 36.864 ( 0.000 0.000 -10.977) 10.977 37.165 ( 0.000 0.000 -13.484) 13.484 ======================= Grid point 94 (21/40) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 3.189 2.111 14.882) 15.366 1.098 ( -0.107 5.752 16.871) 17.825 1.637 ( -3.106 -2.579 3.497) 5.341 1.711 ( 4.693 -3.567 -2.192) 6.290 2.078 ( -6.368 -1.938 4.684) 8.139 2.134 ( -0.010 4.134 11.592) 12.307 2.300 ( 2.587 2.735 7.479) 8.373 2.425 ( 7.190 4.302 0.552) 8.397 2.455 ( 5.500 8.240 12.579) 16.012 2.608 ( 3.720 10.712 10.317) 15.331 2.904 ( 2.077 3.145 20.166) 20.515 3.018 ( -1.758 -3.790 -1.649) 4.492 3.135 ( -1.785 -0.805 -0.014) 1.959 3.491 ( 2.455 1.710 -7.037) 7.646 3.563 ( -1.152 2.910 -4.637) 5.594 3.636 ( 3.915 2.035 -5.663) 7.179 3.821 ( -3.367 -4.878 1.795) 6.193 3.883 ( -2.623 -0.672 -0.768) 2.814 3.922 ( 1.524 -1.520 -4.960) 5.407 4.131 ( -3.728 -0.894 -1.480) 4.109 4.228 ( 5.089 -0.087 -2.878) 5.847 4.362 ( -4.954 -5.348 2.529) 7.716 4.382 ( -2.842 -5.782 6.439) 9.109 4.555 ( -5.734 -2.142 -6.200) 8.712 4.648 ( -0.722 -2.800 0.689) 2.973 4.688 ( 1.510 -2.866 -1.890) 3.751 4.780 ( 3.106 4.854 -0.679) 5.803 4.875 ( 1.283 2.808 0.427) 3.116 4.996 ( 0.532 0.168 -2.171) 2.241 5.061 ( 0.878 2.076 3.813) 4.430 5.229 ( -2.832 -6.409 -1.062) 7.087 5.341 ( -5.637 0.428 1.119) 5.762 5.366 ( -2.722 -4.502 -1.031) 5.361 5.430 ( 2.877 0.874 -0.988) 3.165 5.589 ( 2.979 0.538 3.158) 4.375 5.694 ( 1.853 -0.617 -2.715) 3.345 5.911 ( -1.747 2.861 -2.440) 4.146 6.030 ( 1.548 1.487 0.535) 2.212 6.048 ( 2.105 4.234 -6.128) 7.741 6.171 ( -4.355 -7.119 4.747) 9.601 6.320 ( -1.064 -2.736 0.671) 3.012 6.349 ( -0.723 -1.383 -0.206) 1.574 12.787 ( -0.565 -0.985 2.838) 3.057 12.826 ( 0.302 0.569 1.628) 1.751 12.862 ( -0.162 -0.322 0.151) 0.391 12.959 ( -0.279 -0.558 0.454) 0.772 13.013 ( 0.960 1.725 0.115) 1.978 13.089 ( 0.002 0.058 -2.769) 2.770 13.170 ( -0.697 0.096 -1.037) 1.253 13.183 ( 0.973 -0.602 0.331) 1.190 13.205 ( -0.150 0.750 -0.591) 0.966 13.329 ( -0.314 -1.243 -1.648) 2.088 13.344 ( -0.453 0.182 -0.764) 0.907 13.358 ( 0.200 0.013 -1.349) 1.363 17.286 ( -0.999 -1.571 -0.456) 1.917 17.322 ( -1.225 -1.197 -2.441) 2.982 17.349 ( 0.753 -0.672 -0.692) 1.224 17.391 ( -0.614 -0.177 -1.807) 1.917 17.643 ( 0.552 2.134 0.340) 2.231 17.659 ( 0.712 -0.049 -1.699) 1.843 17.808 ( -0.095 0.143 -0.880) 0.897 17.842 ( 0.692 1.305 -0.627) 1.605 17.859 ( 0.556 0.931 -0.789) 1.341 17.872 ( 0.293 0.350 -0.607) 0.760 17.946 ( -0.668 -0.540 1.031) 1.342 17.985 ( -0.028 -0.688 0.201) 0.718 18.015 ( 0.023 -0.395 1.458) 1.511 18.035 ( 1.271 -0.809 2.403) 2.836 18.041 ( -1.031 1.474 1.560) 2.381 18.133 ( 0.013 0.686 -0.197) 0.714 18.166 ( 0.732 -0.142 -1.070) 1.304 18.188 ( -0.080 0.702 -0.574) 0.910 27.498 ( -0.372 -0.656 0.679) 1.015 27.556 ( -0.159 -1.205 0.080) 1.218 27.579 ( -0.618 0.539 -0.174) 0.838 27.644 ( 1.452 1.537 -1.536) 2.613 27.712 ( 1.651 3.183 -2.035) 4.122 27.957 ( -2.003 -3.478 -5.116) 6.502 28.556 ( 1.057 2.743 4.339) 5.241 28.618 ( 1.997 1.034 5.840) 6.258 28.751 ( -1.895 2.816 1.136) 3.579 28.795 ( 3.285 1.038 0.889) 3.558 29.311 ( -2.856 -4.905 0.078) 5.676 29.630 ( -3.507 -6.253 -5.492) 9.031 30.149 ( -3.753 -5.728 10.924) 12.893 30.380 ( 0.510 0.294 6.422) 6.449 30.761 ( -2.411 -5.250 0.814) 5.835 30.989 ( 2.943 6.354 -4.556) 8.354 33.123 ( -2.946 -10.326 21.366) 23.913 33.153 ( -2.917 -0.004 12.957) 13.281 36.038 ( 0.839 -1.719 1.386) 2.362 36.078 ( -1.916 0.999 1.892) 2.872 36.242 ( -1.453 -3.730 -0.919) 4.107 36.478 ( 3.287 5.678 -3.784) 7.574 36.697 ( 4.356 7.635 -13.442) 16.062 37.217 ( -1.379 -2.388 -12.078) 12.389 ======================= Grid point 95 (22/40) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.019 7.963 3.677) 8.771 1.205 ( 8.031 5.427 10.520) 14.305 1.485 ( -6.769 -7.355 5.753) 11.534 1.718 ( -1.178 -4.202 1.208) 4.528 2.014 ( -0.257 1.984 3.874) 4.360 2.132 ( 1.014 -2.561 1.926) 3.361 2.339 ( -0.485 4.270 7.968) 9.052 2.618 ( 3.699 3.997 5.899) 8.028 2.639 ( 4.704 4.568 2.423) 6.990 2.737 ( 1.642 4.184 14.807) 15.474 2.952 ( -0.692 -3.499 3.880) 5.270 2.969 ( 3.383 0.795 19.539) 19.846 3.054 ( -3.962 -2.694 7.522) 8.918 3.519 ( -1.407 3.004 -7.192) 7.920 3.568 ( 0.347 -0.509 1.760) 1.865 3.736 ( 1.867 -1.435 1.774) 2.949 3.753 ( 1.407 -1.772 -1.329) 2.624 3.847 ( -0.204 4.123 -3.412) 5.355 4.000 ( -3.945 5.218 -7.391) 9.870 4.031 ( 2.331 0.563 -4.759) 5.329 4.178 ( -6.456 -5.344 -1.473) 8.509 4.290 ( -4.418 -1.491 1.926) 5.045 4.365 ( 8.773 -2.551 -4.452) 10.163 4.452 ( -0.272 -3.574 -1.443) 3.864 4.556 ( -2.404 -4.944 6.482) 8.500 4.707 ( -0.147 0.035 -3.639) 3.642 4.846 ( -0.951 2.070 0.001) 2.277 4.925 ( 1.184 3.164 1.608) 3.741 5.042 ( 2.110 0.602 -2.243) 3.137 5.095 ( 0.724 1.896 2.008) 2.855 5.136 ( -2.081 -2.127 -2.608) 3.957 5.211 ( -4.202 0.850 -2.492) 4.959 5.342 ( 0.873 -0.404 -5.696) 5.776 5.442 ( -0.903 -4.330 -5.275) 6.884 5.616 ( -0.524 4.682 4.496) 6.512 5.803 ( 7.820 -4.774 -1.404) 9.269 5.864 ( -3.154 1.016 7.670) 8.355 5.988 ( -1.328 -5.272 -0.712) 5.483 6.086 ( -1.593 3.436 -1.720) 4.160 6.133 ( 1.252 1.593 1.122) 2.316 6.274 ( -0.765 -3.048 5.663) 6.477 6.335 ( -0.917 1.541 -5.743) 6.016 12.771 ( -0.046 -0.845 3.170) 3.281 12.834 ( -0.325 0.929 1.159) 1.521 12.860 ( 0.169 -0.254 0.078) 0.315 12.950 ( -0.078 -0.477 1.069) 1.173 13.051 ( 0.958 1.463 0.706) 1.886 13.086 ( -0.303 -0.246 -1.421) 1.473 13.160 ( -0.686 0.739 -1.653) 1.936 13.198 ( 0.953 -0.677 -0.789) 1.410 13.199 ( -0.442 0.012 -0.929) 1.028 13.311 ( -0.042 -1.323 -1.863) 2.285 13.344 ( 0.000 0.598 -1.131) 1.279 13.358 ( -0.217 0.014 -1.052) 1.074 17.262 ( -0.443 -0.356 -0.740) 0.933 17.300 ( -0.411 -0.282 -3.196) 3.235 17.352 ( -0.372 0.093 -0.495) 0.626 17.380 ( 0.357 -0.840 -1.867) 2.078 17.654 ( -0.189 0.955 -2.059) 2.277 17.686 ( 0.877 0.179 -1.192) 1.491 17.814 ( 0.364 0.293 -0.588) 0.751 17.854 ( -0.198 -0.814 -0.752) 1.126 17.864 ( 0.033 1.333 -0.272) 1.361 17.896 ( 0.272 1.389 0.045) 1.417 17.928 ( 0.367 -0.823 0.194) 0.922 17.964 ( -1.158 -0.538 0.877) 1.550 18.013 ( -0.046 0.015 1.991) 1.992 18.030 ( -0.724 0.006 2.317) 2.427 18.051 ( 1.436 -1.573 2.428) 3.229 18.145 ( -0.428 1.749 0.058) 1.801 18.178 ( 0.388 -0.363 -0.820) 0.977 18.189 ( 0.197 -0.029 -1.185) 1.202 27.497 ( 0.464 0.066 0.639) 0.792 27.529 ( -0.752 -1.327 0.257) 1.546 27.585 ( 0.130 0.606 0.305) 0.690 27.675 ( -0.404 2.071 -1.767) 2.752 27.783 ( 3.178 1.696 -3.264) 4.861 27.878 ( -2.607 -3.098 -4.591) 6.121 28.595 ( 0.213 2.107 6.078) 6.436 28.672 ( 2.201 0.582 7.546) 7.882 28.720 ( -2.473 1.403 1.397) 3.167 28.852 ( 2.043 -2.076 1.781) 3.415 29.285 ( 1.648 2.329 -3.473) 4.495 29.481 ( -5.178 -4.986 -5.734) 9.195 30.061 ( -0.305 -3.523 10.875) 11.435 30.392 ( -1.881 3.791 7.281) 8.422 30.685 ( 3.268 -10.039 2.851) 10.936 31.080 ( -1.556 7.917 -5.598) 9.821 32.995 ( -4.265 0.790 20.089) 20.552 33.145 ( 2.476 -3.816 13.656) 14.393 36.029 ( -2.270 1.407 0.850) 2.803 36.066 ( 1.048 0.045 3.772) 3.915 36.199 ( 2.447 -6.828 -0.811) 7.298 36.562 ( -2.965 9.386 -6.213) 11.640 36.811 ( 4.045 -0.860 -11.001) 11.753 37.169 ( -1.089 -1.460 -13.341) 13.465 ======================= Grid point 96 (23/40) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -8.001 3.390 4.537) 9.803 1.271 ( -8.315 -5.820 11.239) 15.143 1.469 ( 12.405 4.199 4.037) 13.704 1.661 ( -0.698 -0.069 1.418) 1.582 2.033 ( 1.047 0.343 4.183) 4.325 2.169 ( 4.167 -2.616 0.625) 4.959 2.346 ( -3.013 2.207 9.617) 10.317 2.565 ( -9.017 -0.053 1.423) 9.129 2.626 ( -6.909 -0.655 9.290) 11.596 2.775 ( -2.482 -0.885 12.833) 13.101 2.940 ( 0.711 -1.203 4.058) 4.292 2.971 ( -0.576 -1.257 16.611) 16.669 3.071 ( 5.520 0.680 9.088) 10.655 3.518 ( -2.661 2.803 -8.005) 8.889 3.574 ( 1.540 -0.622 3.940) 4.276 3.699 ( -2.742 -1.380 -1.936) 3.629 3.761 ( 1.453 -1.437 2.771) 3.443 3.865 ( -1.134 0.740 -6.471) 6.611 3.985 ( -5.848 4.189 -7.304) 10.252 4.073 ( 2.376 -0.269 -0.636) 2.474 4.174 ( 7.006 3.893 -7.005) 10.645 4.220 ( -0.280 -0.233 -0.637) 0.734 4.405 ( -1.372 -4.708 6.755) 8.348 4.477 ( 7.326 -3.965 -6.138) 10.348 4.560 ( 6.095 -0.767 5.764) 8.424 4.683 ( -2.897 1.956 -4.531) 5.723 4.836 ( -1.888 1.566 1.153) 2.710 4.942 ( -2.621 0.674 0.872) 2.844 5.018 ( -2.034 -1.129 -4.322) 4.909 5.097 ( -1.739 0.666 4.009) 4.420 5.134 ( 1.992 0.940 -1.018) 2.426 5.253 ( 4.799 2.762 -5.080) 7.515 5.371 ( -1.166 -2.302 -2.630) 3.685 5.394 ( 3.467 0.104 -7.529) 8.290 5.621 ( -4.005 3.592 2.833) 6.080 5.731 ( -2.149 -4.770 5.254) 7.414 5.951 ( 1.509 -4.167 1.026) 4.549 5.970 ( 7.171 0.064 0.848) 7.221 6.087 ( -1.343 3.901 -0.264) 4.134 6.136 ( -2.933 -0.752 -0.129) 3.030 6.262 ( 2.478 -0.299 4.718) 5.338 6.336 ( -0.719 1.353 -4.741) 4.982 12.771 ( 0.753 -0.382 3.163) 3.274 12.834 ( -0.624 0.749 1.182) 1.532 12.859 ( 0.118 -0.277 0.073) 0.310 12.949 ( 0.418 -0.158 1.062) 1.152 13.051 ( -1.711 -0.108 0.582) 1.811 13.087 ( 0.385 0.123 -1.328) 1.389 13.163 ( -0.110 1.269 -1.260) 1.792 13.183 ( -0.326 -0.708 -1.485) 1.677 13.211 ( 0.477 -0.381 -0.555) 0.825 13.308 ( 0.901 -0.482 -1.936) 2.189 13.350 ( -0.139 -0.126 -1.058) 1.074 13.354 ( -0.058 0.496 -1.097) 1.206 17.263 ( 0.622 0.166 -0.950) 1.148 17.301 ( 0.604 0.212 -3.118) 3.183 17.344 ( -0.410 0.340 -0.268) 0.597 17.385 ( 0.816 -0.657 -1.972) 2.233 17.658 ( -0.416 0.703 -2.446) 2.578 17.682 ( -0.955 -0.715 -0.769) 1.419 17.815 ( -0.308 -0.223 -0.647) 0.751 17.854 ( 0.800 -0.242 -0.804) 1.160 17.865 ( -1.122 0.654 -0.215) 1.316 17.896 ( -1.411 0.421 0.035) 1.473 17.931 ( 0.782 -0.809 0.041) 1.126 17.963 ( 0.868 0.819 1.066) 1.600 18.014 ( -0.273 0.042 2.061) 2.080 18.019 ( 0.225 0.301 2.437) 2.466 18.059 ( 0.989 -1.726 2.139) 2.922 18.143 ( -1.262 1.412 0.456) 1.947 18.174 ( -0.344 -0.508 -1.503) 1.623 18.193 ( 0.296 -0.274 -0.803) 0.899 27.497 ( -0.300 -0.376 0.585) 0.757 27.528 ( 1.362 0.053 0.399) 1.420 27.588 ( -0.200 0.042 0.193) 0.281 27.672 ( -1.892 1.464 -1.770) 2.976 27.784 ( -2.997 -1.920 -3.225) 4.803 27.877 ( 4.011 0.734 -4.604) 6.150 28.614 ( -0.437 1.740 6.417) 6.663 28.628 ( -3.424 -1.140 5.470) 6.553 28.767 ( 1.621 2.516 3.716) 4.771 28.830 ( -0.553 -3.804 1.196) 4.026 29.285 ( -2.795 -0.252 -3.467) 4.460 29.480 ( 6.824 1.985 -5.679) 9.097 30.064 ( 3.522 -1.620 10.757) 11.434 30.389 ( -2.587 3.617 7.386) 8.621 30.681 ( 6.657 -7.610 2.904) 10.519 31.085 ( -5.570 5.034 -5.777) 9.473 32.987 ( 0.926 3.945 20.243) 20.644 33.152 ( 2.495 -3.870 13.585) 14.344 36.015 ( -0.778 1.830 1.399) 2.431 36.088 ( 0.359 0.336 3.771) 3.803 36.190 ( 4.457 -5.907 -1.444) 7.540 36.562 ( -6.662 7.244 -6.100) 11.578 36.812 ( -1.254 -3.926 -11.030) 11.775 37.169 ( 1.810 0.213 -13.340) 13.464 ======================= Grid point 101 (24/40) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 -0.000 1.408) 1.408 1.313 ( -2.030 -4.060 5.731) 7.311 1.313 ( 2.030 4.060 5.731) 7.311 1.681 ( -0.000 -0.000 4.520) 4.520 2.052 ( -1.625 -3.251 0.360) 3.652 2.052 ( 1.625 3.251 0.361) 3.652 2.417 ( -0.000 -0.000 11.844) 11.844 2.702 ( -0.000 -0.000 3.259) 3.259 2.715 ( -2.614 -5.227 9.706) 11.330 2.715 ( 2.614 5.227 9.706) 11.330 2.902 ( -0.000 -0.000 1.249) 1.249 2.998 ( -0.910 -1.820 16.314) 16.441 2.998 ( 0.910 1.820 16.314) 16.441 3.554 ( -0.000 -0.000 -2.238) 2.238 3.573 ( -0.000 -0.000 -0.595) 0.595 3.724 ( -0.525 -1.050 -0.370) 1.231 3.724 ( 0.525 1.050 -0.370) 1.231 3.959 ( -2.690 -5.380 -4.383) 7.443 3.959 ( 2.690 5.380 -4.383) 7.443 4.108 ( -0.000 -0.000 -0.594) 0.594 4.172 ( -2.978 -5.955 -9.962) 11.982 4.172 ( 2.978 5.955 -9.962) 11.982 4.401 ( -0.858 -1.715 3.873) 4.322 4.401 ( 0.858 1.715 3.873) 4.322 4.457 ( -0.000 -0.000 4.905) 4.905 4.706 ( -0.000 -0.000 -1.746) 1.746 4.905 ( -1.447 -2.894 0.852) 3.345 4.905 ( 1.447 2.894 0.852) 3.345 5.094 ( -1.454 -2.907 -0.653) 3.315 5.094 ( 1.454 2.907 -0.653) 3.315 5.120 ( -0.000 -0.000 4.953) 4.953 5.276 ( -2.344 -4.688 -8.532) 10.013 5.276 ( 2.344 4.688 -8.532) 10.013 5.409 ( 0.000 -0.000 -11.180) 11.180 5.704 ( -1.298 -2.597 5.078) 5.849 5.704 ( 1.298 2.597 5.078) 5.849 5.894 ( -0.791 -1.581 3.290) 3.735 5.894 ( 0.791 1.581 3.290) 3.735 6.126 ( -0.000 -0.000 -9.346) 9.346 6.197 ( -1.732 -3.465 7.440) 8.388 6.197 ( 1.732 3.465 7.440) 8.388 6.356 ( -0.000 -0.000 -6.975) 6.975 12.761 ( -0.000 -0.000 3.284) 3.284 12.851 ( -0.276 -0.552 0.490) 0.789 12.851 ( 0.276 0.552 0.490) 0.789 12.944 ( -0.000 -0.000 1.329) 1.329 13.076 ( -0.370 -0.740 0.024) 0.828 13.076 ( 0.370 0.740 0.024) 0.828 13.176 ( -0.000 -0.000 -2.710) 2.710 13.191 ( -0.306 -0.612 -0.646) 0.941 13.191 ( 0.306 0.612 -0.646) 0.941 13.295 ( -0.000 -0.000 -2.139) 2.139 13.355 ( -0.129 -0.257 -1.095) 1.132 13.355 ( 0.129 0.257 -1.095) 1.132 17.259 ( -0.000 -0.000 -1.272) 1.272 17.298 ( -0.000 -0.000 -2.986) 2.986 17.361 ( -0.427 -0.854 -1.175) 1.514 17.361 ( 0.427 0.854 -1.175) 1.514 17.677 ( -0.414 -0.829 -1.930) 2.141 17.677 ( 0.414 0.829 -1.930) 2.141 17.831 ( -0.526 -1.051 -0.482) 1.270 17.831 ( 0.526 1.051 -0.482) 1.270 17.881 ( -0.000 -0.000 -0.152) 0.152 17.919 ( -0.141 -0.281 -0.259) 0.407 17.919 ( 0.141 0.281 -0.259) 0.407 17.951 ( 0.000 -0.000 1.486) 1.486 18.021 ( 0.000 -0.000 1.979) 1.979 18.028 ( -0.325 -0.650 2.633) 2.731 18.028 ( 0.325 0.650 2.633) 2.731 18.170 ( -0.300 -0.601 -0.494) 0.834 18.170 ( 0.300 0.601 -0.494) 0.834 18.185 ( -0.000 -0.000 -0.857) 0.857 27.506 ( -0.374 -0.748 0.480) 0.965 27.506 ( 0.374 0.748 0.480) 0.965 27.591 ( -0.000 -0.000 0.546) 0.546 27.705 ( -0.000 -0.000 -2.037) 2.037 27.819 ( -0.969 -1.938 -3.974) 4.527 27.819 ( 0.969 1.938 -3.974) 4.527 28.617 ( 0.000 -0.000 8.424) 8.424 28.714 ( -1.508 -3.017 5.306) 6.287 28.714 ( 1.508 3.017 5.306) 6.287 28.811 ( -0.000 -0.000 -1.024) 1.024 29.372 ( -2.351 -4.702 -5.611) 7.689 29.372 ( 2.351 4.702 -5.611) 7.689 30.018 ( -0.000 -0.000 11.051) 11.051 30.505 ( -3.158 -6.317 6.244) 9.427 30.505 ( 3.158 6.317 6.244) 9.427 31.167 ( -0.000 -0.000 -7.127) 7.127 33.054 ( -1.994 -3.989 16.601) 17.189 33.054 ( 1.994 3.989 16.601) 17.189 36.076 ( -0.000 0.000 4.553) 4.553 36.080 ( -1.666 -3.332 0.095) 3.727 36.080 ( 1.666 3.332 0.095) 3.727 36.732 ( -2.882 -5.763 -8.568) 10.720 36.732 ( 2.882 5.763 -8.568) 10.720 37.152 ( -0.000 -0.000 -13.998) 13.998 ======================= Grid point 129 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.000 0.000 15.963) 15.963 1.445 ( 0.000 -0.000 15.963) 15.963 1.648 ( 0.000 0.000 3.171) 3.171 1.648 ( 0.000 0.000 3.171) 3.171 2.322 ( 0.000 -0.000 4.305) 4.305 2.322 ( -0.000 0.000 4.305) 4.305 2.357 ( -0.000 0.000 6.164) 6.164 2.373 ( 0.000 0.000 0.296) 0.296 2.373 ( -0.000 -0.000 0.296) 0.296 2.686 ( 0.000 -0.000 32.457) 32.457 3.045 ( -0.000 0.000 0.555) 0.555 3.045 ( 0.000 -0.000 0.555) 0.555 3.163 ( 0.000 -0.000 18.124) 18.124 3.289 ( 0.000 0.000 -11.678) 11.678 3.418 ( 0.000 -0.000 1.549) 1.549 3.418 ( 0.000 0.000 1.549) 1.549 3.908 ( 0.000 0.000 -4.211) 4.211 3.908 ( -0.000 0.000 -4.211) 4.211 4.025 ( 0.000 -0.000 0.564) 0.564 4.103 ( 0.000 0.000 -10.311) 10.311 4.103 ( 0.000 -0.000 -10.311) 10.311 4.459 ( 0.000 -0.000 -4.068) 4.068 4.459 ( 0.000 0.000 -4.068) 4.068 4.599 ( 0.000 0.000 -3.360) 3.360 4.599 ( 0.000 0.000 -3.360) 3.360 4.609 ( 0.000 0.000 -8.132) 8.132 4.709 ( -0.000 -0.000 6.360) 6.360 4.961 ( 0.000 -0.000 1.052) 1.052 5.090 ( 0.000 0.000 6.412) 6.412 5.090 ( 0.000 0.000 6.412) 6.412 5.234 ( 0.000 0.000 2.320) 2.320 5.474 ( 0.000 0.000 2.643) 2.643 5.556 ( 0.000 0.000 -8.656) 8.656 5.556 ( 0.000 0.000 -8.656) 8.656 5.665 ( 0.000 -0.000 -6.542) 6.542 5.758 ( 0.000 0.000 13.522) 13.522 5.758 ( 0.000 -0.000 13.522) 13.522 5.812 ( 0.000 0.000 4.579) 4.579 5.816 ( 0.000 0.000 -6.025) 6.025 6.295 ( -0.000 0.000 -7.907) 7.907 6.352 ( -0.000 0.000 -4.341) 4.341 6.352 ( -0.000 -0.000 -4.341) 4.341 12.860 ( 0.000 0.000 2.391) 2.391 12.860 ( -0.000 -0.000 2.391) 2.391 12.881 ( 0.000 -0.000 0.269) 0.269 12.958 ( 0.000 0.000 -0.837) 0.837 12.958 ( 0.000 0.000 -0.837) 0.837 13.001 ( 0.000 0.000 -3.936) 3.936 13.185 ( -0.000 0.000 0.727) 0.727 13.185 ( 0.000 0.000 0.727) 0.727 13.234 ( 0.000 -0.000 2.393) 2.393 13.305 ( 0.000 0.000 -2.646) 2.646 13.305 ( 0.000 0.000 -2.646) 2.646 13.347 ( 0.000 -0.000 -0.725) 0.725 17.346 ( -0.000 -0.000 -0.193) 0.193 17.346 ( 0.000 0.000 -0.193) 0.193 17.368 ( 0.000 0.000 -1.123) 1.123 17.368 ( 0.000 0.000 -1.123) 1.123 17.614 ( -0.000 -0.000 2.556) 2.556 17.728 ( 0.000 -0.000 1.656) 1.656 17.793 ( 0.000 -0.000 -0.545) 0.545 17.793 ( -0.000 -0.000 -0.545) 0.545 17.807 ( 0.000 0.000 -0.730) 0.730 17.807 ( 0.000 -0.000 -0.730) 0.730 17.859 ( 0.000 0.000 -0.246) 0.246 17.990 ( -0.000 0.000 -0.953) 0.953 18.039 ( 0.000 0.000 0.626) 0.626 18.092 ( 0.000 0.000 1.531) 1.531 18.092 ( -0.000 0.000 1.531) 1.531 18.100 ( 0.000 -0.000 -1.539) 1.539 18.153 ( 0.000 -0.000 -0.663) 0.663 18.153 ( 0.000 0.000 -0.663) 0.663 27.552 ( -0.000 -0.000 0.152) 0.152 27.552 ( -0.000 0.000 0.152) 0.152 27.589 ( 0.000 0.000 -0.607) 0.607 27.589 ( 0.000 -0.000 -0.607) 0.607 27.624 ( 0.000 -0.000 2.394) 2.394 27.927 ( 0.000 0.000 -6.397) 6.397 28.581 ( -0.000 0.000 3.844) 3.844 28.581 ( 0.000 0.000 3.844) 3.844 28.745 ( 0.000 0.000 -0.644) 0.644 28.745 ( 0.000 0.000 -0.644) 0.644 29.481 ( 0.000 -0.000 -0.065) 0.065 29.673 ( 0.000 -0.000 -5.406) 5.406 30.504 ( -0.000 0.000 5.601) 5.601 30.504 ( 0.000 -0.000 5.601) 5.601 30.777 ( -0.000 0.000 -3.292) 3.292 30.777 ( 0.000 0.000 -3.292) 3.292 33.391 ( 0.000 0.000 11.425) 11.425 33.713 ( 0.000 0.000 1.136) 1.136 36.100 ( 0.000 0.000 1.148) 1.148 36.100 ( 0.000 0.000 1.148) 1.148 36.244 ( 0.000 0.000 -3.209) 3.209 36.244 ( 0.000 0.000 -3.209) 3.209 36.402 ( 0.000 0.000 4.601) 4.601 37.021 ( 0.000 -0.000 -13.419) 13.419 ======================= Grid point 130 (26/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -7.234 -2.792 17.547) 19.184 1.416 ( 0.161 -2.076 15.397) 15.538 1.686 ( -0.055 3.257 1.687) 3.668 1.709 ( 3.916 -0.034 2.248) 4.516 2.237 ( -1.580 -4.390 5.464) 7.185 2.292 ( -4.292 4.150 2.289) 6.394 2.355 ( 0.311 -2.484 5.428) 5.977 2.418 ( 7.176 -1.531 5.361) 9.087 2.453 ( 1.929 6.190 1.150) 6.585 2.815 ( 6.503 3.718 16.427) 18.054 3.037 ( 0.140 -0.133 3.382) 3.388 3.114 ( 5.914 3.786 7.139) 10.014 3.202 ( 3.059 1.514 15.860) 16.223 3.334 ( 3.377 1.962 -10.219) 10.940 3.429 ( 0.896 0.335 2.127) 2.332 3.470 ( 4.111 2.543 0.803) 4.900 3.847 ( -2.309 -1.208 -3.165) 4.100 3.873 ( -2.573 -1.673 -3.258) 4.476 4.016 ( -5.891 0.233 -5.120) 7.808 4.059 ( 0.166 -6.753 -6.349) 9.271 4.129 ( 1.068 4.516 -6.483) 7.973 4.403 ( -2.208 -1.613 -4.935) 5.642 4.455 ( -0.205 -1.354 -5.023) 5.207 4.547 ( -3.790 -1.396 -1.697) 4.380 4.626 ( -1.347 0.044 3.057) 3.341 4.655 ( 3.873 1.520 -3.217) 5.259 4.767 ( 4.769 2.894 -2.622) 6.164 4.870 ( -7.091 -4.063 3.637) 8.946 5.008 ( -2.626 -1.446 1.714) 3.453 5.114 ( 1.272 0.593 5.591) 5.764 5.312 ( 1.752 0.510 2.793) 3.337 5.384 ( -8.888 -2.688 -5.594) 10.840 5.419 ( -5.004 -4.308 -2.556) 7.080 5.529 ( -2.746 -5.167 3.470) 6.803 5.627 ( -0.477 3.020 -1.616) 3.458 5.712 ( -1.867 2.773 2.189) 3.996 5.778 ( 3.352 -2.989 0.118) 4.493 5.861 ( 4.392 3.139 1.859) 5.709 5.985 ( 5.620 3.444 2.546) 7.066 6.270 ( -2.191 -1.416 -4.288) 5.019 6.318 ( -2.555 -1.146 -4.808) 5.564 6.355 ( 0.252 -0.014 -2.757) 2.768 12.856 ( -0.262 -0.179 2.397) 2.418 12.858 ( -0.186 -0.077 2.166) 2.176 12.871 ( -0.547 -0.317 0.172) 0.655 12.961 ( 0.221 0.070 -0.540) 0.588 12.979 ( 1.514 0.953 -0.603) 1.888 13.014 ( 1.016 0.567 -3.255) 3.457 13.178 ( -0.537 -0.558 0.691) 1.038 13.186 ( -0.224 0.162 0.407) 0.492 13.223 ( -0.531 -0.373 1.798) 1.912 13.299 ( -0.531 -0.171 -2.608) 2.667 13.310 ( 0.321 0.058 -2.294) 2.318 13.341 ( -0.409 -0.225 -0.847) 0.967 17.317 ( -2.065 -1.055 -0.081) 2.320 17.330 ( -2.212 -1.585 -0.705) 2.811 17.347 ( -0.251 0.080 -0.285) 0.388 17.366 ( -0.126 -0.126 -1.110) 1.124 17.636 ( 1.440 0.823 2.096) 2.673 17.678 ( -2.052 -1.159 1.670) 2.889 17.794 ( 0.154 0.063 -0.755) 0.773 17.805 ( 1.042 0.491 -0.303) 1.191 17.816 ( 0.596 0.395 -1.854) 1.987 17.836 ( 1.340 0.837 -1.267) 2.026 17.931 ( 3.910 2.242 0.080) 4.508 17.976 ( -1.197 -0.670 -1.272) 1.870 18.039 ( 0.311 0.177 0.805) 0.881 18.055 ( -1.037 -0.626 1.024) 1.586 18.086 ( -0.445 -0.067 1.519) 1.585 18.126 ( 0.274 -0.331 -0.139) 0.452 18.153 ( -0.271 0.726 -0.719) 1.057 18.161 ( 1.109 0.087 -0.737) 1.335 27.534 ( -0.910 -0.525 1.127) 1.541 27.560 ( 0.602 0.456 0.290) 0.809 27.581 ( -0.512 -0.587 -0.367) 0.861 27.600 ( 0.743 0.642 -0.684) 1.197 27.652 ( 1.902 1.069 0.831) 2.335 27.899 ( -2.075 -1.199 -5.770) 6.248 28.597 ( 1.289 0.716 3.677) 3.962 28.641 ( 4.443 2.658 3.366) 6.176 28.742 ( -0.102 -0.353 -0.389) 0.535 28.770 ( 1.990 1.381 -0.372) 2.451 29.419 ( -4.757 -2.751 0.577) 5.525 29.617 ( -4.499 -2.592 -5.434) 7.516 30.437 ( -4.327 -2.535 7.634) 9.134 30.496 ( -0.565 -0.316 5.822) 5.858 30.787 ( 0.470 0.934 -3.544) 3.695 30.805 ( 1.850 0.426 -4.213) 4.621 33.395 ( 0.176 0.119 11.396) 11.398 33.601 ( -7.597 -4.400 6.900) 11.167 36.081 ( -1.503 -0.403 1.557) 2.201 36.115 ( 1.615 0.201 2.009) 2.585 36.248 ( 0.046 0.625 -3.471) 3.527 36.335 ( 5.031 2.444 -5.105) 7.573 36.408 ( 1.720 1.122 1.935) 2.822 36.999 ( -1.833 -1.058 -13.433) 13.598 ======================= Grid point 131 (27/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -6.195 -2.530 15.173) 16.583 1.443 ( 4.969 -1.677 13.196) 14.200 1.655 ( -5.285 1.361 2.539) 6.019 1.770 ( 1.504 1.417 1.189) 2.384 2.174 ( -1.279 -3.401 7.906) 8.701 2.233 ( -3.212 -0.624 2.175) 3.928 2.395 ( 5.493 -1.286 4.436) 7.176 2.513 ( -2.077 6.836 -0.445) 7.159 2.594 ( 8.758 1.232 2.881) 9.301 2.900 ( 1.048 1.960 1.921) 2.938 3.070 ( 2.842 0.352 7.703) 8.218 3.258 ( 2.147 1.704 9.642) 10.024 3.321 ( 7.571 3.560 16.143) 18.182 3.423 ( 2.661 1.745 1.260) 3.422 3.466 ( 3.902 1.960 -1.977) 4.793 3.598 ( 5.106 3.066 -2.178) 6.341 3.796 ( -2.469 -1.838 -1.913) 3.624 3.832 ( -0.886 1.701 -1.973) 2.752 3.909 ( -4.222 0.108 -1.296) 4.418 3.979 ( 0.662 -7.911 -4.637) 9.194 4.145 ( -6.066 5.764 -7.533) 11.259 4.313 ( -4.812 -5.285 1.442) 7.292 4.413 ( 2.889 -7.382 -4.485) 9.108 4.518 ( -3.335 4.476 -5.651) 7.943 4.584 ( -1.790 0.052 6.103) 6.361 4.654 ( -3.957 -3.233 -1.232) 5.257 4.786 ( 2.700 2.013 -0.982) 3.508 4.880 ( 2.971 2.099 -0.719) 3.708 4.979 ( -0.232 0.470 -1.786) 1.861 5.116 ( -0.903 -2.319 2.827) 3.766 5.199 ( -7.287 -0.591 -3.103) 7.942 5.235 ( -2.602 -4.650 1.349) 5.496 5.309 ( -3.841 -3.572 -2.587) 5.849 5.516 ( 3.023 -1.807 3.358) 4.866 5.622 ( -5.153 5.313 4.488) 8.656 5.772 ( 3.422 3.997 -1.519) 5.477 5.819 ( 5.477 -2.410 -4.242) 7.335 5.963 ( 3.129 1.367 -2.339) 4.139 6.046 ( -0.950 -0.569 0.468) 1.202 6.203 ( -3.097 -0.707 -1.785) 3.643 6.257 ( -1.840 -1.548 -0.639) 2.488 6.358 ( 0.052 0.092 0.085) 0.135 12.850 ( -0.152 -0.226 2.596) 2.610 12.852 ( -0.367 -0.052 1.527) 1.571 12.862 ( -0.175 -0.111 0.449) 0.495 12.965 ( 0.188 -0.042 0.009) 0.193 13.023 ( 1.659 1.471 -0.704) 2.327 13.044 ( 1.467 0.548 -1.815) 2.397 13.155 ( -0.727 -1.353 0.703) 1.689 13.175 ( -1.227 0.418 -0.252) 1.320 13.218 ( 0.238 -0.297 0.934) 1.009 13.285 ( -0.800 0.199 -2.478) 2.611 13.310 ( 0.022 -0.651 -2.033) 2.135 13.334 ( -0.230 0.037 -1.135) 1.159 17.270 ( -1.802 -0.534 -0.225) 1.893 17.275 ( -1.497 -1.466 -0.872) 2.269 17.346 ( -0.087 0.206 -0.041) 0.228 17.361 ( -0.130 -0.231 -1.052) 1.084 17.636 ( -0.808 -0.440 1.074) 1.415 17.679 ( 1.145 0.661 1.196) 1.783 17.799 ( 0.249 0.069 -1.200) 1.228 17.828 ( 0.375 0.295 -2.073) 2.127 17.838 ( 1.368 0.519 0.060) 1.464 17.869 ( 1.101 0.831 -0.446) 1.450 17.942 ( -1.070 -0.935 -1.170) 1.840 17.969 ( -0.578 -0.045 -0.655) 0.875 18.044 ( 0.119 0.134 1.533) 1.543 18.071 ( 0.060 -0.053 2.095) 2.096 18.090 ( 1.496 2.012 -0.325) 2.528 18.119 ( 0.667 -1.381 0.615) 1.652 18.155 ( -0.490 0.894 -0.799) 1.296 18.177 ( 0.306 -0.293 -0.836) 0.937 27.521 ( -0.191 -0.061 1.499) 1.513 27.558 ( -0.949 -0.448 0.346) 1.105 27.581 ( 0.872 0.097 0.483) 1.001 27.622 ( 0.676 0.726 -0.721) 1.226 27.704 ( 2.389 1.299 -1.181) 2.965 27.838 ( -2.818 -1.629 -4.551) 5.595 28.637 ( 2.017 1.027 3.140) 3.871 28.716 ( -1.081 0.782 1.416) 1.946 28.772 ( 4.928 0.576 2.586) 5.595 28.847 ( 3.660 3.148 -0.224) 4.833 29.291 ( -4.712 -2.735 0.852) 5.514 29.473 ( -6.861 -3.957 -5.033) 9.385 30.342 ( -2.929 -1.841 10.067) 10.645 30.482 ( -0.476 -0.218 6.237) 6.259 30.809 ( -0.318 2.742 -4.068) 4.916 30.832 ( 1.875 -1.796 -5.109) 5.730 33.376 ( -2.874 -1.303 13.532) 13.895 33.454 ( -2.397 -1.711 11.268) 11.647 36.049 ( -1.378 -0.268 2.231) 2.636 36.155 ( 2.640 -0.515 3.995) 4.816 36.257 ( -0.700 2.277 -3.683) 4.386 36.351 ( -0.605 -1.618 -0.122) 1.732 36.548 ( 6.591 3.905 -9.185) 11.961 36.937 ( -3.025 -1.749 -13.564) 14.007 ======================= Grid point 132 (28/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 0.000 11.841) 11.841 1.536 ( 0.000 0.000 6.878) 6.878 1.557 ( -0.000 0.000 9.353) 9.353 1.789 ( 0.000 0.000 0.862) 0.862 2.140 ( 0.000 0.000 9.831) 9.831 2.198 ( 0.000 -0.000 1.475) 1.475 2.460 ( 0.000 -0.000 3.448) 3.448 2.514 ( 0.000 0.000 -2.950) 2.950 2.689 ( 0.000 0.000 0.633) 0.633 2.926 ( 0.000 0.000 2.246) 2.246 3.110 ( 0.000 0.000 11.039) 11.039 3.276 ( 0.000 0.000 0.188) 0.188 3.384 ( 0.000 0.000 15.830) 15.830 3.482 ( 0.000 0.000 14.887) 14.887 3.579 ( 0.000 0.000 -1.577) 1.577 3.605 ( -0.000 -0.000 -7.933) 7.933 3.807 ( 0.000 0.000 -1.566) 1.566 3.817 ( -0.000 0.000 -0.519) 0.519 3.885 ( 0.000 -0.000 3.425) 3.425 3.950 ( 0.000 0.000 -9.695) 9.695 4.077 ( 0.000 0.000 -5.282) 5.282 4.230 ( 0.000 0.000 6.589) 6.589 4.405 ( -0.000 0.000 -7.349) 7.349 4.461 ( 0.000 -0.000 -6.081) 6.081 4.594 ( -0.000 0.000 6.398) 6.398 4.613 ( 0.000 0.000 -3.083) 3.083 4.835 ( 0.000 0.000 -2.227) 2.227 4.909 ( 0.000 -0.000 2.041) 2.041 4.998 ( 0.000 0.000 -4.856) 4.856 5.069 ( 0.000 0.000 0.712) 0.712 5.131 ( 0.000 0.000 0.782) 0.782 5.196 ( 0.000 -0.000 -2.409) 2.409 5.242 ( 0.000 -0.000 -0.560) 0.560 5.534 ( 0.000 0.000 7.239) 7.239 5.602 ( 0.000 -0.000 0.214) 0.214 5.837 ( 0.000 0.000 -6.808) 6.808 5.887 ( 0.000 -0.000 -2.034) 2.034 5.993 ( 0.000 0.000 -0.525) 0.525 6.005 ( -0.000 -0.000 1.753) 1.753 6.156 ( 0.000 0.000 -8.383) 8.383 6.240 ( 0.000 -0.000 5.629) 5.629 6.359 ( 0.000 0.000 1.452) 1.452 12.847 ( 0.000 -0.000 2.903) 2.903 12.848 ( -0.000 0.000 1.105) 1.105 12.861 ( 0.000 0.000 0.608) 0.608 12.967 ( 0.000 0.000 0.258) 0.258 13.051 ( 0.000 -0.000 -1.227) 1.227 13.065 ( 0.000 0.000 -0.772) 0.772 13.137 ( 0.000 -0.000 0.879) 0.879 13.161 ( 0.000 0.000 -0.805) 0.805 13.219 ( 0.000 0.000 0.572) 0.572 13.280 ( 0.000 0.000 -2.405) 2.405 13.305 ( 0.000 -0.000 -1.955) 1.955 13.332 ( 0.000 0.000 -1.245) 1.245 17.250 ( 0.000 0.000 -0.300) 0.300 17.253 ( 0.000 -0.000 -1.130) 1.130 17.347 ( 0.000 0.000 0.089) 0.089 17.359 ( 0.000 0.000 -1.061) 1.061 17.626 ( 0.000 0.000 0.721) 0.721 17.694 ( 0.000 0.000 0.813) 0.813 17.802 ( 0.000 0.000 -1.461) 1.461 17.831 ( 0.000 0.000 -1.880) 1.880 17.857 ( 0.000 0.000 0.565) 0.565 17.881 ( 0.000 0.000 -0.651) 0.651 17.932 ( -0.000 0.000 -0.786) 0.786 17.954 ( 0.000 0.000 -0.799) 0.799 18.054 ( 0.000 0.000 1.662) 1.662 18.057 ( -0.000 -0.000 1.803) 1.803 18.115 ( 0.000 0.000 0.325) 0.325 18.129 ( 0.000 0.000 0.740) 0.740 18.164 ( -0.000 -0.000 -1.198) 1.198 18.165 ( 0.000 0.000 -1.000) 1.000 27.522 ( -0.000 0.000 1.255) 1.255 27.543 ( 0.000 0.000 0.871) 0.871 27.591 ( 0.000 0.000 0.678) 0.678 27.633 ( 0.000 -0.000 -0.700) 0.700 27.756 ( 0.000 0.000 -2.633) 2.633 27.779 ( 0.000 0.000 -3.429) 3.429 28.679 ( 0.000 0.000 3.052) 3.052 28.690 ( -0.000 -0.000 1.098) 1.098 28.831 ( 0.000 0.000 4.031) 4.031 28.910 ( 0.000 0.000 0.370) 0.370 29.241 ( 0.000 0.000 -1.059) 1.059 29.356 ( 0.000 0.000 -4.052) 4.052 30.305 ( 0.000 0.000 10.809) 10.809 30.477 ( 0.000 0.000 6.438) 6.438 30.823 ( 0.000 0.000 -4.291) 4.291 30.838 ( 0.000 0.000 -5.411) 5.411 33.326 ( 0.000 0.000 16.128) 16.128 33.439 ( 0.000 0.000 10.418) 10.418 36.034 ( 0.000 0.000 2.542) 2.542 36.180 ( 0.000 0.000 5.228) 5.228 36.267 ( 0.000 0.000 -2.643) 2.643 36.329 ( 0.000 -0.000 -2.235) 2.235 36.644 ( 0.000 0.000 -10.301) 10.301 36.886 ( 0.000 0.000 -13.889) 13.889 ======================= Grid point 137 (29/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.215 -5.743 16.804) 17.800 1.398 ( -3.647 1.897 12.591) 13.245 1.686 ( 4.400 -2.488 -0.134) 5.056 1.735 ( -1.991 0.249 4.605) 5.023 2.172 ( -3.116 -3.330 4.558) 6.448 2.298 ( -1.912 -2.619 5.085) 6.031 2.379 ( -0.478 4.581 2.010) 5.026 2.444 ( 6.381 4.202 4.188) 8.713 2.593 ( 4.022 7.578 1.883) 8.784 2.885 ( 1.618 1.176 3.323) 3.879 3.050 ( 0.125 2.007 8.178) 8.421 3.245 ( 4.770 5.678 13.811) 15.676 3.273 ( 2.314 6.712 13.435) 15.195 3.409 ( 3.004 4.859 -8.275) 10.055 3.446 ( 0.130 1.482 3.661) 3.951 3.553 ( 3.198 4.713 -1.137) 5.808 3.819 ( -1.825 -2.379 -2.485) 3.894 3.829 ( 0.087 -2.074 -2.616) 3.339 3.906 ( -1.720 -5.242 -2.635) 6.114 4.019 ( -6.920 -1.230 -6.771) 9.759 4.159 ( 6.599 -3.123 -4.280) 8.462 4.364 ( -2.039 -0.670 -2.347) 3.180 4.392 ( -8.512 -3.930 -4.300) 10.315 4.528 ( 2.164 -0.455 -2.106) 3.053 4.595 ( 0.766 -1.909 5.437) 5.813 4.694 ( -2.314 -2.540 -3.271) 4.744 4.770 ( 0.700 -0.142 0.710) 1.007 4.860 ( 2.905 4.857 -1.981) 5.996 4.973 ( -0.604 -1.660 -0.203) 1.778 5.124 ( -0.944 -0.035 2.940) 3.088 5.227 ( -2.857 -6.503 -1.996) 7.378 5.307 ( -1.250 -4.873 -0.376) 5.045 5.344 ( -5.996 -3.191 -2.808) 7.350 5.447 ( -2.543 -2.400 4.080) 5.373 5.651 ( 7.344 -0.377 0.334) 7.361 5.722 ( -0.497 1.980 3.401) 3.967 5.835 ( -1.013 3.987 -2.742) 4.944 5.931 ( 2.214 4.252 -2.939) 5.623 6.045 ( 0.625 0.774 1.135) 1.510 6.238 ( -0.300 -1.910 1.368) 2.368 6.254 ( -2.254 -3.183 -5.448) 6.700 6.362 ( -0.030 -0.019 -0.712) 0.713 12.848 ( -0.297 -0.467 2.907) 2.959 12.856 ( -0.011 -0.109 1.490) 1.494 12.863 ( -0.211 -0.338 0.096) 0.410 12.966 ( 0.051 0.351 0.036) 0.356 13.010 ( 1.393 1.761 -0.609) 2.326 13.036 ( 0.668 1.485 -2.235) 2.766 13.159 ( -1.155 -1.071 0.161) 1.583 13.185 ( 0.516 -0.514 0.301) 0.789 13.217 ( -0.427 0.052 1.355) 1.421 13.285 ( -0.312 -1.316 -2.608) 2.938 13.313 ( -0.274 0.261 -2.028) 2.063 13.336 ( -0.016 -0.223 -1.135) 1.157 17.277 ( -1.080 -2.173 -0.306) 2.445 17.294 ( -1.310 -1.730 -0.750) 2.296 17.342 ( 0.133 -0.212 -0.084) 0.264 17.363 ( -0.252 -0.239 -1.001) 1.060 17.652 ( -0.487 -0.875 1.187) 1.553 17.663 ( 0.716 1.217 1.474) 2.041 17.793 ( 0.029 0.180 -0.871) 0.890 17.825 ( 0.242 0.362 -2.338) 2.379 17.835 ( 0.769 1.725 -0.107) 1.892 17.862 ( 1.058 1.494 -0.577) 1.919 17.943 ( -1.014 -1.402 -0.865) 1.934 17.977 ( 0.326 0.215 -1.035) 1.107 18.046 ( 0.056 -0.133 1.498) 1.505 18.063 ( 0.649 1.828 0.774) 2.088 18.079 ( 0.855 -0.221 1.909) 2.104 18.121 ( -1.239 0.149 -0.495) 1.343 18.155 ( 0.927 -0.396 -0.516) 1.132 18.176 ( -0.086 0.715 -0.768) 1.052 27.521 ( -0.288 -0.558 1.494) 1.621 27.561 ( -0.376 -0.939 0.264) 1.045 27.580 ( 0.131 0.996 0.295) 1.047 27.622 ( 1.069 1.272 -0.870) 1.875 27.685 ( 1.007 1.904 -0.498) 2.210 27.856 ( -1.585 -2.741 -4.896) 5.831 28.634 ( 1.381 2.664 3.354) 4.501 28.706 ( 2.359 1.645 2.951) 4.121 28.764 ( -0.787 3.783 0.224) 3.871 28.805 ( 2.728 1.707 0.049) 3.219 29.322 ( -3.250 -5.601 1.023) 6.556 29.518 ( -3.725 -6.476 -5.407) 9.222 30.357 ( -2.483 -4.087 10.084) 11.161 30.499 ( 0.330 0.529 5.500) 5.535 30.746 ( -1.146 -2.820 -2.101) 3.698 30.879 ( 2.002 4.197 -6.468) 7.966 33.397 ( 0.198 -0.184 11.452) 11.455 33.469 ( -4.001 -6.443 12.113) 14.292 36.068 ( 0.341 -1.129 1.830) 2.177 36.127 ( -1.180 1.683 2.556) 3.280 36.232 ( 0.468 -1.976 -0.251) 2.046 36.423 ( 0.308 2.506 -0.673) 2.613 36.466 ( 4.266 6.197 -9.570) 12.173 36.956 ( -1.676 -2.900 -13.512) 13.921 ======================= Grid point 138 (30/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -4.020 1.432 10.067) 10.934 1.420 ( 4.729 0.656 9.985) 11.068 1.627 ( -3.126 -5.939 6.090) 9.062 1.770 ( 1.127 1.183 1.882) 2.493 2.123 ( 1.543 -2.444 6.913) 7.493 2.177 ( -2.746 -4.405 3.667) 6.355 2.447 ( -0.350 4.938 1.996) 5.338 2.615 ( 1.933 5.444 -1.635) 6.004 2.697 ( 0.767 6.654 1.468) 6.857 2.914 ( 1.197 -1.960 3.021) 3.795 3.069 ( 1.467 -0.307 11.523) 11.620 3.320 ( -0.596 4.555 4.071) 6.138 3.388 ( 1.156 2.670 18.500) 18.727 3.473 ( 1.206 0.953 12.071) 12.169 3.537 ( 5.174 4.529 -5.380) 8.731 3.623 ( -0.789 0.366 -5.623) 5.689 3.770 ( 0.403 -4.037 0.051) 4.057 3.799 ( 1.596 -2.729 -4.824) 5.768 3.877 ( -1.432 -1.854 -7.999) 8.335 3.928 ( 0.530 2.663 0.529) 2.766 4.154 ( -9.233 -4.913 -3.681) 11.088 4.229 ( 6.072 -7.609 -5.496) 11.179 4.332 ( -3.929 6.071 2.583) 7.679 4.543 ( 1.776 -1.383 4.563) 5.088 4.584 ( -3.906 -1.824 -2.170) 4.827 4.633 ( 0.660 2.322 -2.773) 3.677 4.819 ( 0.685 1.289 -1.672) 2.219 4.946 ( 1.244 -0.186 -5.191) 5.341 4.964 ( 0.777 1.465 1.319) 2.119 5.082 ( -0.879 0.029 -1.956) 2.145 5.161 ( -4.397 -0.990 2.279) 5.051 5.186 ( -0.461 -2.225 -4.150) 4.731 5.250 ( -1.650 -1.480 2.125) 3.071 5.420 ( 2.460 -6.499 2.590) 7.416 5.711 ( -3.207 2.874 4.504) 6.232 5.782 ( 5.517 -0.549 -1.574) 5.763 5.874 ( 0.841 4.427 -5.144) 6.839 5.973 ( 0.345 -1.189 -0.607) 1.379 6.019 ( -1.350 -1.383 0.503) 1.997 6.186 ( -1.765 -1.577 -8.431) 8.757 6.247 ( 0.132 2.221 4.813) 5.302 6.352 ( -0.055 -1.176 1.576) 1.968 12.840 ( -0.010 -0.451 3.354) 3.384 12.854 ( -0.190 0.131 0.840) 0.871 12.859 ( 0.031 -0.148 0.191) 0.244 12.970 ( -0.038 0.400 0.686) 0.795 13.055 ( 1.337 0.796 -0.820) 1.759 13.059 ( 0.138 1.270 -0.963) 1.600 13.130 ( -0.460 -0.780 -0.832) 1.230 13.182 ( -0.894 0.318 0.303) 0.997 13.210 ( 0.221 -0.368 0.977) 1.067 13.265 ( 0.124 -1.797 -2.519) 3.097 13.313 ( -0.189 0.731 -1.903) 2.048 13.334 ( -0.099 -0.137 -1.399) 1.409 17.245 ( -0.406 -1.065 -0.680) 1.327 17.263 ( -0.746 -0.213 -0.887) 1.178 17.345 ( 0.239 -0.189 -0.202) 0.366 17.355 ( -0.111 -0.420 -0.698) 0.822 17.640 ( -0.735 0.784 0.797) 1.338 17.682 ( 0.835 -0.469 0.763) 1.225 17.800 ( 0.262 0.371 -1.164) 1.250 17.827 ( 0.098 -0.333 -1.982) 2.012 17.864 ( 0.358 1.536 0.153) 1.585 17.891 ( -0.059 1.105 -0.454) 1.196 17.918 ( 0.311 -1.070 -0.900) 1.432 17.966 ( -0.821 -0.388 -0.747) 1.176 18.050 ( 0.234 0.447 1.781) 1.851 18.069 ( -0.478 -0.146 1.708) 1.779 18.091 ( 0.492 -1.120 1.497) 1.933 18.135 ( 1.187 1.876 -0.818) 2.366 18.161 ( 0.129 -0.305 -1.069) 1.119 18.171 ( -0.656 -0.211 -0.615) 0.924 27.518 ( 0.246 -0.103 1.370) 1.396 27.540 ( -0.403 -0.991 0.678) 1.267 27.596 ( 0.144 0.899 0.783) 1.200 27.649 ( -0.169 1.653 -0.996) 1.938 27.729 ( 2.206 1.017 -2.036) 3.169 27.794 ( -2.012 -2.400 -3.720) 4.863 28.686 ( 0.526 3.307 3.112) 4.571 28.738 ( -1.874 1.953 0.674) 2.789 28.790 ( 2.620 0.358 4.130) 4.904 28.875 ( 2.582 -1.258 0.421) 2.903 29.243 ( -0.495 -0.671 -0.817) 1.167 29.375 ( -4.085 -5.015 -4.757) 8.029 30.292 ( -0.577 -2.289 12.015) 12.245 30.512 ( -1.090 2.827 4.998) 5.844 30.704 ( 1.905 -5.991 -0.689) 6.324 30.941 ( -0.837 5.062 -8.215) 9.685 33.355 ( -3.044 -0.461 14.768) 15.086 33.409 ( 1.553 -2.303 11.621) 11.948 36.056 ( -1.411 0.900 1.944) 2.565 36.136 ( 2.339 -1.327 1.988) 3.344 36.217 ( 0.228 -2.785 3.894) 4.793 36.441 ( -3.198 6.603 -5.307) 9.055 36.597 ( 4.726 0.516 -9.800) 10.892 36.891 ( -1.654 -2.301 -13.914) 14.199 ======================= Grid point 139 (31/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.022 4.015 10.699) 11.428 1.470 ( -0.632 -5.985 7.699) 9.772 1.588 ( 4.734 2.151 6.493) 8.318 1.754 ( -2.133 0.055 4.900) 5.344 2.122 ( 2.212 -2.507 4.365) 5.498 2.204 ( 6.322 -0.558 4.006) 7.505 2.452 ( -3.058 1.826 1.172) 3.750 2.576 ( -8.888 3.187 -0.743) 9.471 2.735 ( -5.342 2.043 3.676) 6.798 2.882 ( 0.588 -2.030 1.521) 2.604 3.091 ( 0.448 -1.842 11.677) 11.830 3.318 ( -3.504 2.679 5.724) 7.226 3.407 ( -3.476 0.084 18.022) 18.354 3.457 ( -0.657 -0.022 10.068) 10.090 3.532 ( -5.873 -1.842 -6.824) 9.189 3.641 ( -1.082 -0.015 -4.191) 4.328 3.745 ( 3.555 -2.196 -1.145) 4.333 3.792 ( 0.151 -1.146 -2.724) 2.959 3.884 ( 0.647 -0.104 -7.317) 7.346 3.978 ( 3.348 -3.276 -1.808) 5.021 4.057 ( 0.879 5.898 -3.022) 6.685 4.285 ( 7.807 -4.974 1.198) 9.334 4.358 ( 0.119 4.068 -3.807) 5.573 4.515 ( -1.068 0.554 -0.116) 1.209 4.603 ( 3.895 -0.007 -0.362) 3.911 4.616 ( -3.951 1.387 0.664) 4.240 4.819 ( -1.683 0.082 -2.226) 2.792 4.932 ( -0.738 -0.509 -3.332) 3.450 4.959 ( -2.070 0.123 -0.158) 2.080 5.106 ( 1.644 -1.342 -2.188) 3.048 5.132 ( 1.700 3.211 -0.758) 3.712 5.228 ( 2.095 1.403 1.907) 3.162 5.254 ( 4.490 0.335 -2.383) 5.094 5.409 ( 4.389 -6.262 4.579) 8.913 5.666 ( -4.600 3.648 1.526) 6.066 5.797 ( -1.997 -2.380 1.087) 3.292 5.895 ( -1.859 -0.436 -5.200) 5.540 5.984 ( 0.126 -1.052 -1.072) 1.508 6.015 ( 3.072 0.730 0.988) 3.309 6.172 ( 0.725 1.276 -7.642) 7.781 6.256 ( -1.144 0.764 3.820) 4.060 6.350 ( 1.004 -0.517 1.600) 1.958 12.840 ( 0.410 -0.224 3.468) 3.499 12.854 ( -0.048 0.233 0.630) 0.673 12.859 ( 0.122 -0.093 0.252) 0.295 12.971 ( -0.222 0.202 0.880) 0.930 13.045 ( -1.621 -0.056 -1.060) 1.938 13.067 ( -1.041 -0.100 -1.033) 1.470 13.137 ( 1.366 -0.335 -0.845) 1.641 13.173 ( -0.423 1.102 0.690) 1.367 13.217 ( 0.502 -0.275 0.957) 1.115 13.260 ( 1.119 -0.846 -2.733) 3.072 13.317 ( -0.189 0.348 -1.950) 1.990 13.332 ( 0.071 0.054 -1.341) 1.344 17.244 ( 1.014 -0.119 -0.654) 1.213 17.265 ( 0.730 0.467 -0.981) 1.309 17.342 ( -0.081 -0.232 0.058) 0.253 17.357 ( 0.478 -0.171 -0.887) 1.022 17.640 ( -0.334 1.016 0.708) 1.283 17.682 ( -0.003 -0.942 0.858) 1.274 17.800 ( -0.414 -0.055 -1.217) 1.286 17.828 ( 0.243 -0.246 -1.955) 1.985 17.867 ( -1.458 0.375 0.410) 1.560 17.886 ( -0.847 0.590 -0.838) 1.330 17.922 ( 0.784 -0.840 -0.694) 1.343 17.963 ( 0.635 0.625 -0.891) 1.260 18.051 ( -0.747 -0.051 1.762) 1.915 18.062 ( 0.476 0.372 1.794) 1.893 18.094 ( 0.363 -0.861 1.430) 1.708 18.141 ( -1.223 -0.413 -1.000) 1.633 18.153 ( -0.622 0.293 -0.366) 0.779 18.175 ( 0.772 0.171 -1.056) 1.319 27.517 ( -0.055 -0.236 1.349) 1.370 27.540 ( 1.051 -0.167 0.734) 1.293 27.597 ( -0.673 0.256 0.711) 1.012 27.646 ( -1.550 1.026 -0.926) 2.077 27.730 ( -1.948 -1.409 -2.093) 3.188 27.794 ( 3.108 0.555 -3.698) 4.862 28.695 ( -4.003 1.394 2.447) 4.895 28.714 ( -0.386 1.326 2.777) 3.101 28.827 ( -0.252 0.661 2.232) 2.342 28.853 ( -1.092 -4.521 0.895) 4.737 29.243 ( 0.864 0.105 -0.820) 1.196 29.375 ( 6.363 1.008 -4.737) 7.997 30.293 ( 2.367 -0.685 11.889) 12.142 30.512 ( -1.939 2.398 5.192) 6.039 30.701 ( 3.920 -4.498 -0.760) 6.014 30.943 ( -3.675 3.095 -8.269) 9.563 33.350 ( 1.535 2.152 14.920) 15.153 33.413 ( 1.583 -2.234 11.496) 11.818 36.050 ( -0.453 1.448 2.202) 2.674 36.165 ( 2.171 -4.677 -0.497) 5.180 36.192 ( 0.171 0.826 5.904) 5.964 36.445 ( -3.731 5.918 -4.969) 8.581 36.596 ( -2.882 -3.884 -9.928) 11.043 36.891 ( 2.821 0.280 -13.909) 14.195 ======================= Grid point 144 (32/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -0.000 4.114) 4.114 1.482 ( -2.270 -4.539 9.016) 10.346 1.482 ( 2.269 4.539 9.016) 10.346 1.810 ( -0.000 -0.000 3.442) 3.442 2.097 ( -0.699 -1.398 4.845) 5.091 2.097 ( 0.699 1.398 4.845) 5.091 2.500 ( 0.000 -0.000 -1.533) 1.533 2.786 ( -0.000 -0.000 1.692) 1.692 2.789 ( -3.775 -7.550 1.103) 8.513 2.789 ( 3.775 7.550 1.103) 8.514 3.062 ( -0.000 -0.000 16.239) 16.239 3.412 ( -0.000 -0.000 -2.774) 2.774 3.431 ( -0.436 -0.872 21.482) 21.505 3.431 ( 0.436 0.872 21.482) 21.505 3.639 ( -0.890 -1.779 -8.469) 8.699 3.639 ( 0.890 1.779 -8.469) 8.699 3.645 ( 0.000 -0.000 -0.594) 0.594 3.813 ( -1.188 -2.377 -7.675) 8.122 3.813 ( 1.188 2.377 -7.675) 8.122 4.047 ( -3.072 -6.143 -1.475) 7.025 4.047 ( 3.072 6.143 -1.475) 7.025 4.107 ( 0.000 -0.000 -1.237) 1.237 4.450 ( 0.000 0.000 -4.592) 4.592 4.524 ( -0.497 -0.995 5.104) 5.224 4.524 ( 0.497 0.995 5.104) 5.224 4.670 ( 0.000 -0.000 -2.486) 2.486 4.870 ( -1.595 -3.191 -3.959) 5.329 4.870 ( 1.595 3.191 -3.959) 5.329 5.053 ( -1.769 -3.539 -2.654) 4.764 5.053 ( 1.769 3.539 -2.654) 4.764 5.173 ( -1.125 -2.251 -1.561) 2.961 5.173 ( 1.125 2.250 -1.561) 2.961 5.200 ( 0.000 0.000 3.978) 3.978 5.335 ( -0.000 -0.000 4.033) 4.033 5.764 ( -1.205 -2.411 1.273) 2.981 5.764 ( 1.205 2.411 1.273) 2.981 5.938 ( 0.000 -0.000 -8.798) 8.798 5.963 ( -0.608 -1.216 3.392) 3.655 5.963 ( 0.608 1.216 3.392) 3.655 6.180 ( -0.000 -0.000 -10.449) 10.449 6.307 ( -1.288 -2.577 3.197) 4.304 6.307 ( 1.288 2.577 3.197) 4.304 12.835 ( -0.000 -0.000 3.966) 3.966 12.857 ( -0.050 -0.100 0.105) 0.153 12.857 ( 0.050 0.100 0.105) 0.153 12.975 ( -0.000 -0.000 1.479) 1.479 13.069 ( -0.248 -0.496 -0.706) 0.898 13.069 ( 0.248 0.496 -0.706) 0.898 13.123 ( 0.000 -0.000 -2.260) 2.260 13.197 ( -0.489 -0.977 1.279) 1.682 13.197 ( 0.489 0.977 1.279) 1.682 13.241 ( -0.000 -0.000 -3.233) 3.233 13.327 ( -0.218 -0.436 -1.674) 1.744 13.327 ( 0.218 0.436 -1.674) 1.744 17.234 ( -0.000 -0.000 -0.829) 0.829 17.261 ( -0.000 -0.000 -1.170) 1.170 17.346 ( -0.165 -0.331 -0.330) 0.495 17.346 ( 0.165 0.331 -0.330) 0.495 17.663 ( -0.544 -1.087 0.607) 1.359 17.663 ( 0.544 1.087 0.607) 1.359 17.814 ( -0.373 -0.746 -1.481) 1.700 17.814 ( 0.373 0.746 -1.481) 1.700 17.887 ( -0.000 -0.000 0.743) 0.743 17.903 ( -0.199 -0.398 -1.133) 1.217 17.903 ( 0.199 0.398 -1.133) 1.217 17.959 ( -0.000 -0.000 -0.507) 0.507 18.057 ( 0.000 -0.000 1.774) 1.774 18.072 ( -0.365 -0.730 1.907) 2.074 18.072 ( 0.365 0.730 1.907) 2.074 18.159 ( -0.204 -0.408 -0.708) 0.842 18.159 ( 0.204 0.408 -0.708) 0.842 18.162 ( -0.000 0.000 -1.407) 1.407 27.522 ( -0.268 -0.535 1.065) 1.222 27.522 ( 0.268 0.535 1.065) 1.222 27.606 ( -0.000 -0.000 0.941) 0.941 27.674 ( 0.000 -0.000 -1.250) 1.250 27.750 ( -0.643 -1.286 -2.812) 3.158 27.750 ( 0.643 1.286 -2.812) 3.158 28.737 ( 0.000 -0.000 3.665) 3.665 28.796 ( -0.000 -0.000 -0.399) 0.399 28.800 ( -0.945 -1.890 3.136) 3.782 28.800 ( 0.945 1.890 3.136) 3.782 29.279 ( -1.663 -3.326 -3.585) 5.165 29.279 ( 1.663 3.326 -3.585) 5.165 30.266 ( -0.000 -0.000 13.278) 13.278 30.591 ( -2.090 -4.180 2.657) 5.376 30.591 ( 2.090 4.180 2.657) 5.376 30.997 ( -0.000 -0.000 -9.767) 9.767 33.366 ( -0.718 -1.437 13.441) 13.536 33.366 ( 0.718 1.437 13.441) 13.536 36.091 ( -1.146 -2.291 1.068) 2.775 36.091 ( 1.146 2.291 1.068) 2.775 36.193 ( -0.000 -0.000 7.182) 7.182 36.560 ( -1.826 -3.653 -8.162) 9.127 36.560 ( 1.826 3.653 -8.162) 9.127 36.863 ( -0.000 -0.000 -14.416) 14.416 ======================= Grid point 172 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 0.000 6.263) 6.263 1.666 ( 0.000 -0.000 6.263) 6.263 1.707 ( 0.000 -0.000 1.529) 1.529 1.707 ( 0.000 0.000 1.529) 1.529 2.361 ( -0.000 0.000 -0.498) 0.498 2.361 ( 0.000 -0.000 -0.498) 0.498 2.365 ( -0.000 0.000 -0.087) 0.087 2.365 ( 0.000 0.000 -0.087) 0.087 2.547 ( -0.000 0.000 12.245) 12.245 2.812 ( 0.000 -0.000 -12.574) 12.574 3.188 ( 0.000 0.000 13.049) 13.049 3.188 ( 0.000 -0.000 13.049) 13.049 3.419 ( 0.000 0.000 -5.129) 5.129 3.419 ( 0.000 0.000 -5.129) 5.129 3.438 ( -0.000 0.000 15.594) 15.594 3.464 ( 0.000 0.000 10.320) 10.320 3.825 ( 0.000 0.000 -3.546) 3.546 3.825 ( 0.000 0.000 -3.546) 3.546 3.849 ( 0.000 0.000 -9.142) 9.142 3.849 ( 0.000 -0.000 -9.142) 9.142 4.054 ( 0.000 0.000 5.478) 5.478 4.323 ( 0.000 -0.000 -17.429) 17.429 4.456 ( 0.000 0.000 2.095) 2.095 4.456 ( 0.000 0.000 2.095) 2.095 4.519 ( 0.000 0.000 -3.988) 3.988 4.519 ( 0.000 -0.000 -3.988) 3.988 4.855 ( -0.000 0.000 6.106) 6.106 4.942 ( -0.000 0.000 -2.684) 2.684 5.239 ( 0.000 -0.000 7.906) 7.906 5.239 ( 0.000 0.000 7.906) 7.906 5.301 ( 0.000 0.000 4.758) 4.758 5.395 ( -0.000 0.000 -7.738) 7.738 5.395 ( 0.000 0.000 -7.738) 7.738 5.425 ( 0.000 0.000 -6.919) 6.919 5.626 ( 0.000 0.000 3.279) 3.279 5.712 ( -0.000 0.000 -4.698) 4.698 5.946 ( -0.000 0.000 8.003) 8.003 6.015 ( 0.000 -0.000 11.853) 11.853 6.015 ( 0.000 -0.000 11.853) 11.853 6.120 ( 0.000 0.000 -9.143) 9.143 6.222 ( 0.000 0.000 -8.612) 8.612 6.222 ( 0.000 -0.000 -8.612) 8.612 12.895 ( 0.000 -0.000 1.291) 1.291 12.904 ( -0.000 0.000 1.974) 1.974 12.904 ( 0.000 -0.000 1.974) 1.974 12.935 ( 0.000 0.000 -2.668) 2.668 12.937 ( 0.000 -0.000 -1.309) 1.309 12.937 ( 0.000 0.000 -1.309) 1.309 13.209 ( -0.000 0.000 1.698) 1.698 13.209 ( 0.000 0.000 1.698) 1.698 13.252 ( 0.000 -0.000 -2.492) 2.492 13.252 ( 0.000 0.000 -2.492) 2.492 13.281 ( 0.000 0.000 2.297) 2.297 13.322 ( -0.000 0.000 -1.710) 1.710 17.345 ( -0.000 0.000 0.105) 0.105 17.345 ( 0.000 0.000 0.105) 0.105 17.351 ( -0.000 -0.000 -0.551) 0.551 17.351 ( 0.000 -0.000 -0.551) 0.551 17.670 ( 0.000 0.000 2.943) 2.943 17.723 ( -0.000 -0.000 -2.011) 2.011 17.788 ( -0.000 -0.000 0.050) 0.050 17.788 ( 0.000 0.000 0.050) 0.050 17.794 ( 0.000 0.000 -0.518) 0.518 17.794 ( 0.000 0.000 -0.518) 0.518 17.896 ( -0.000 -0.000 3.562) 3.562 17.962 ( -0.000 -0.000 -2.310) 2.310 18.046 ( -0.000 -0.000 0.242) 0.242 18.063 ( 0.000 0.000 -1.677) 1.677 18.118 ( 0.000 0.000 1.118) 1.118 18.118 ( -0.000 0.000 1.118) 1.118 18.137 ( 0.000 -0.000 -0.852) 0.852 18.137 ( 0.000 0.000 -0.852) 0.852 27.560 ( 0.000 -0.000 0.653) 0.653 27.560 ( 0.000 0.000 0.653) 0.653 27.575 ( 0.000 0.000 -0.763) 0.763 27.575 ( 0.000 0.000 -0.763) 0.763 27.694 ( 0.000 0.000 4.571) 4.571 27.801 ( -0.000 -0.000 -5.986) 5.986 28.655 ( 0.000 -0.000 3.440) 3.440 28.655 ( 0.000 -0.000 3.440) 3.440 28.714 ( 0.000 0.000 -2.373) 2.373 28.714 ( -0.000 0.000 -2.373) 2.373 29.502 ( 0.000 0.000 2.260) 2.260 29.571 ( -0.000 -0.000 -4.498) 4.498 30.611 ( 0.000 0.000 5.058) 5.058 30.611 ( 0.000 -0.000 5.058) 5.058 30.703 ( 0.000 0.000 -4.141) 4.141 30.703 ( 0.000 0.000 -4.141) 4.141 33.588 ( -0.000 -0.000 7.876) 7.876 33.697 ( 0.000 -0.000 -2.993) 2.993 36.132 ( 0.000 -0.000 2.063) 2.063 36.132 ( 0.000 0.000 2.063) 2.063 36.182 ( 0.000 0.000 -2.876) 2.876 36.182 ( 0.000 -0.000 -2.876) 2.876 36.539 ( 0.000 0.000 9.072) 9.072 36.758 ( 0.000 -0.000 -12.471) 12.471 ======================= Grid point 173 (34/40) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -4.451 -2.391 8.447) 9.843 1.657 ( 0.032 -0.601 8.276) 8.297 1.700 ( -1.116 -0.123 -1.237) 1.670 1.736 ( 1.116 0.597 -0.290) 1.298 2.310 ( -0.667 -3.488 2.755) 4.494 2.331 ( -3.554 2.637 1.854) 4.798 2.397 ( 3.507 -2.878 -1.480) 4.772 2.426 ( 1.245 4.273 -3.488) 5.654 2.579 ( 3.274 1.598 11.502) 12.065 2.819 ( 1.009 0.615 -10.015) 10.085 3.210 ( 1.797 1.306 11.498) 11.711 3.222 ( 2.964 1.366 10.193) 10.702 3.392 ( -1.710 -0.663 -1.793) 2.565 3.460 ( 3.110 1.400 -4.496) 5.643 3.498 ( 2.450 1.952 5.846) 6.632 3.506 ( 4.556 2.128 8.968) 10.282 3.774 ( -2.276 -1.389 -2.959) 3.984 3.802 ( -1.233 -1.725 -4.297) 4.791 3.826 ( -1.328 1.809 -3.728) 4.352 3.872 ( 1.829 -0.357 -7.964) 8.179 4.127 ( 2.899 1.871 5.914) 6.846 4.313 ( -1.011 -1.040 -7.534) 7.672 4.446 ( -0.594 -0.783 2.362) 2.558 4.492 ( -2.290 0.759 -2.198) 3.264 4.543 ( 5.592 -0.038 -4.589) 7.234 4.566 ( 3.916 4.159 -5.476) 7.913 4.833 ( -1.397 -0.786 5.156) 5.400 4.899 ( -3.509 -1.993 -1.106) 4.184 5.079 ( -7.284 -4.110 5.651) 10.094 5.221 ( -7.949 -5.204 -7.617) 12.177 5.239 ( -1.020 0.076 5.831) 5.920 5.353 ( -3.666 -2.399 -4.729) 6.447 5.410 ( 2.957 1.732 6.209) 7.092 5.554 ( 5.081 3.466 -5.698) 8.384 5.576 ( -3.132 -4.453 -0.611) 5.478 5.603 ( -3.759 0.128 -2.261) 4.388 5.952 ( -0.633 -0.008 8.186) 8.211 5.986 ( -1.104 -1.247 9.735) 9.877 6.054 ( 0.585 0.408 0.733) 1.023 6.179 ( -1.451 -1.363 -6.486) 6.785 6.187 ( 2.879 2.325 -3.276) 4.943 6.267 ( 3.021 1.676 -5.674) 6.643 12.878 ( -0.899 -0.493 0.573) 1.175 12.884 ( -0.948 -0.606 0.468) 1.219 12.908 ( 0.261 0.232 2.267) 2.294 12.944 ( 0.573 0.162 -1.244) 1.379 12.963 ( 1.501 1.250 -0.720) 2.082 12.968 ( 2.042 0.914 -1.171) 2.525 13.203 ( -0.435 -0.490 1.749) 1.868 13.206 ( -0.528 -0.024 1.568) 1.655 13.239 ( -0.701 -0.611 -1.166) 1.491 13.247 ( -0.509 -0.108 -2.476) 2.530 13.285 ( 0.144 0.055 0.788) 0.803 13.316 ( -0.448 -0.253 -1.610) 1.690 17.317 ( -2.005 -1.160 0.054) 2.317 17.320 ( -2.213 -1.272 -0.293) 2.569 17.345 ( 0.016 -0.024 0.071) 0.077 17.350 ( -0.072 -0.011 -0.500) 0.506 17.685 ( 0.993 0.582 2.613) 2.856 17.714 ( -0.881 -0.502 0.925) 1.373 17.772 ( -0.592 -0.347 -1.571) 1.715 17.778 ( -0.728 -0.415 -1.013) 1.315 17.807 ( 1.481 0.766 0.323) 1.699 17.818 ( 1.638 1.000 -0.696) 2.041 17.934 ( 1.631 0.945 0.409) 1.929 17.951 ( -0.865 -0.482 -1.195) 1.552 18.053 ( 0.767 0.447 0.637) 1.092 18.064 ( 0.160 0.129 -0.222) 0.303 18.113 ( -0.291 -0.192 1.274) 1.321 18.127 ( 0.413 0.094 0.442) 0.612 18.136 ( -0.097 0.048 -0.996) 1.001 18.143 ( 0.584 0.360 -0.988) 1.203 27.556 ( -0.280 -0.168 0.936) 0.991 27.570 ( 0.151 0.341 0.205) 0.426 27.572 ( 0.378 -0.080 -0.123) 0.406 27.586 ( 0.795 0.511 -0.776) 1.223 27.697 ( 0.190 0.108 3.591) 3.597 27.787 ( -1.067 -0.616 -5.272) 5.414 28.665 ( 0.824 0.458 3.095) 3.235 28.701 ( 3.478 2.204 2.643) 4.893 28.718 ( 0.478 0.018 -1.950) 2.008 28.748 ( 2.677 1.627 -1.787) 3.606 29.447 ( -4.282 -2.475 2.403) 5.498 29.516 ( -4.337 -2.505 -4.412) 6.675 30.581 ( -2.112 -1.061 6.706) 7.110 30.609 ( -0.080 -0.315 5.390) 5.399 30.702 ( -0.473 0.708 -5.166) 5.235 30.711 ( 0.812 -0.401 -4.909) 4.992 33.584 ( -0.345 -0.196 7.033) 7.045 33.662 ( -2.555 -1.478 -0.571) 3.007 36.122 ( -0.794 -0.269 2.495) 2.632 36.161 ( 2.553 0.488 2.556) 3.645 36.181 ( -0.305 0.795 -2.977) 3.097 36.232 ( 3.854 2.048 -4.379) 6.183 36.523 ( -1.273 -0.733 8.620) 8.744 36.737 ( -1.735 -1.002 -12.333) 12.495 ======================= Grid point 174 (35/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -5.103 -3.001 13.462) 14.706 1.653 ( 0.274 -0.778 6.829) 6.879 1.669 ( -1.450 0.473 -2.867) 3.247 1.740 ( -0.885 -0.722 -2.935) 3.149 2.273 ( -1.706 0.106 2.336) 2.894 2.287 ( -0.621 -2.684 1.484) 3.129 2.432 ( 2.490 -1.129 0.287) 2.749 2.467 ( -1.607 3.926 -3.130) 5.272 2.698 ( 6.228 1.948 8.061) 10.371 2.867 ( 2.174 1.841 -6.081) 6.715 3.267 ( 2.483 1.511 11.043) 11.419 3.321 ( 5.048 2.114 0.606) 5.506 3.373 ( 0.020 1.227 5.010) 5.158 3.519 ( 1.377 0.022 -2.342) 2.717 3.576 ( 2.853 2.317 0.023) 3.676 3.617 ( 5.449 0.086 -3.313) 6.378 3.745 ( 0.417 1.547 1.101) 1.944 3.793 ( -0.571 2.712 -2.693) 3.865 3.837 ( 0.056 0.974 1.087) 1.460 3.887 ( 0.664 -1.304 -4.403) 4.640 4.112 ( -3.642 -1.951 6.546) 7.741 4.281 ( 0.067 -3.509 -7.148) 7.963 4.420 ( -1.484 -0.332 3.727) 4.026 4.461 ( -1.630 0.817 1.400) 2.298 4.580 ( -2.247 -2.067 -2.192) 3.759 4.648 ( -0.899 0.334 -3.787) 3.907 4.822 ( 0.478 0.833 3.358) 3.493 4.845 ( 2.533 1.150 -0.669) 2.861 4.965 ( -2.928 -0.602 0.652) 3.059 5.048 ( -4.468 -3.118 -7.018) 8.884 5.189 ( -3.150 -1.887 2.649) 4.527 5.233 ( -4.701 -3.941 -1.555) 6.329 5.388 ( -2.011 -1.082 7.591) 7.927 5.542 ( 0.907 -2.690 -5.371) 6.075 5.619 ( 1.678 5.753 1.095) 6.091 5.691 ( 5.828 3.012 -4.614) 8.020 5.881 ( -3.766 -2.588 8.514) 9.663 5.991 ( 0.751 -0.281 3.071) 3.174 6.045 ( -1.120 -0.167 -1.708) 2.049 6.074 ( -4.875 -3.089 -7.790) 9.694 6.284 ( 2.789 1.791 1.908) 3.824 6.331 ( 1.997 1.091 -2.384) 3.295 12.862 ( -0.468 -0.244 0.272) 0.594 12.866 ( -0.477 -0.338 0.113) 0.595 12.917 ( 0.332 0.358 2.906) 2.947 12.957 ( 0.647 0.129 -0.909) 1.123 13.004 ( 1.366 1.200 -0.663) 1.935 13.013 ( 1.705 0.688 -1.305) 2.255 13.185 ( -0.206 -1.546 2.024) 2.555 13.189 ( -1.509 0.711 1.660) 2.354 13.223 ( -0.373 -0.667 -1.158) 1.387 13.234 ( -0.645 0.018 -2.475) 2.558 13.285 ( -0.057 -0.203 0.168) 0.269 13.307 ( -0.256 -0.073 -1.467) 1.491 17.266 ( -1.899 -0.908 -0.030) 2.106 17.268 ( -1.629 -1.141 -0.136) 1.994 17.345 ( 0.060 -0.001 0.018) 0.062 17.349 ( -0.096 -0.006 -0.336) 0.350 17.683 ( -0.918 -0.421 3.261) 3.414 17.715 ( 0.846 0.414 2.039) 2.246 17.758 ( -0.611 -0.332 -2.684) 2.772 17.776 ( 0.427 0.207 -2.754) 2.794 17.847 ( 1.725 0.712 0.646) 1.975 17.859 ( 1.467 0.935 -0.523) 1.816 17.927 ( -0.830 -0.583 0.017) 1.014 17.944 ( -0.680 -0.105 -1.398) 1.558 18.071 ( 0.457 0.352 1.028) 1.179 18.083 ( 0.792 0.987 -0.334) 1.309 18.109 ( 0.499 -0.348 1.661) 1.769 18.131 ( 0.360 -0.441 0.616) 0.838 18.137 ( -0.031 0.438 -0.877) 0.981 18.155 ( 0.004 0.205 -1.278) 1.295 27.550 ( -0.209 -0.081 1.152) 1.174 27.562 ( -0.374 -0.261 -0.075) 0.463 27.594 ( 0.998 0.485 0.721) 1.323 27.609 ( 0.885 0.626 -0.687) 1.284 27.703 ( 0.434 0.237 1.352) 1.440 27.755 ( -1.469 -0.855 -3.594) 3.976 28.689 ( 1.068 0.589 2.088) 2.418 28.720 ( -0.089 0.050 -0.849) 0.855 28.813 ( 4.940 2.406 1.518) 5.701 28.836 ( 4.118 2.777 -0.849) 5.039 29.321 ( -5.384 -3.124 2.256) 6.621 29.382 ( -6.063 -3.523 -3.870) 8.009 30.534 ( -1.674 -0.724 8.996) 9.179 30.603 ( 0.097 -0.608 5.734) 5.767 30.702 ( -1.098 1.907 -7.041) 7.376 30.720 ( 1.220 -1.402 -5.392) 5.704 33.571 ( -0.852 -0.415 5.850) 5.927 33.601 ( -1.835 -1.134 3.005) 3.699 36.104 ( -0.744 -0.219 3.187) 3.280 36.172 ( 0.133 -0.722 -3.288) 3.369 36.242 ( 3.320 2.902 3.441) 5.593 36.329 ( 3.362 1.482 -4.456) 5.775 36.488 ( -1.098 -0.567 5.575) 5.710 36.678 ( -2.930 -1.698 -11.929) 12.400 ======================= Grid point 175 (36/40) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 0.000 16.255) 16.255 1.646 ( 0.000 0.000 0.762) 0.762 1.679 ( 0.000 -0.000 2.981) 2.981 1.707 ( 0.000 0.000 -6.529) 6.529 2.255 ( 0.000 0.000 2.378) 2.378 2.267 ( 0.000 -0.000 1.573) 1.573 2.458 ( -0.000 0.000 -0.983) 0.983 2.462 ( 0.000 -0.000 -1.411) 1.411 2.774 ( 0.000 -0.000 6.775) 6.775 2.902 ( 0.000 0.000 -4.526) 4.526 3.312 ( -0.000 -0.000 4.721) 4.721 3.352 ( 0.000 0.000 10.240) 10.240 3.458 ( 0.000 0.000 -1.602) 1.602 3.481 ( 0.000 0.000 0.805) 0.805 3.605 ( 0.000 0.000 -3.738) 3.738 3.694 ( 0.000 0.000 -8.876) 8.876 3.786 ( 0.000 0.000 3.640) 3.640 3.811 ( 0.000 -0.000 0.653) 0.653 3.831 ( -0.000 0.000 -0.170) 0.170 3.884 ( 0.000 0.000 -1.563) 1.563 4.047 ( 0.000 0.000 8.373) 8.373 4.259 ( 0.000 0.000 -9.313) 9.313 4.386 ( 0.000 0.000 4.681) 4.681 4.446 ( 0.000 0.000 6.688) 6.688 4.530 ( 0.000 0.000 -3.837) 3.837 4.613 ( 0.000 0.000 -4.731) 4.731 4.860 ( 0.000 0.000 2.609) 2.609 4.893 ( 0.000 -0.000 -2.729) 2.729 4.934 ( 0.000 0.000 0.423) 0.423 5.010 ( 0.000 -0.000 -4.660) 4.660 5.144 ( 0.000 0.000 0.421) 0.421 5.146 ( 0.000 -0.000 0.019) 0.019 5.365 ( 0.000 0.000 8.287) 8.287 5.533 ( 0.000 0.000 -7.416) 7.416 5.703 ( 0.000 0.000 8.196) 8.196 5.752 ( -0.000 -0.000 -0.391) 0.391 5.842 ( 0.000 0.000 -1.268) 1.268 5.960 ( 0.000 -0.000 -10.160) 10.160 6.013 ( 0.000 0.000 1.860) 1.860 6.033 ( -0.000 -0.000 0.253) 0.253 6.318 ( 0.000 -0.000 2.417) 2.417 6.355 ( 0.000 0.000 -1.357) 1.357 12.856 ( 0.000 0.000 0.179) 0.179 12.860 ( 0.000 0.000 0.066) 0.066 12.923 ( 0.000 0.000 3.270) 3.270 12.965 ( 0.000 0.000 -0.606) 0.606 13.026 ( 0.000 0.000 -1.066) 1.066 13.034 ( 0.000 0.000 -1.605) 1.605 13.174 ( 0.000 -0.000 1.861) 1.861 13.176 ( -0.000 0.000 2.491) 2.491 13.215 ( 0.000 -0.000 -1.531) 1.531 13.228 ( 0.000 0.000 -2.664) 2.664 13.283 ( 0.000 -0.000 0.281) 0.281 13.304 ( 0.000 0.000 -1.447) 1.447 17.243 ( 0.000 0.000 -0.023) 0.023 17.246 ( 0.000 0.000 -0.194) 0.194 17.347 ( -0.000 0.000 -0.067) 0.067 17.347 ( 0.000 -0.000 -0.197) 0.197 17.672 ( 0.000 0.000 3.482) 3.482 17.726 ( 0.000 0.000 2.049) 2.049 17.750 ( 0.000 0.000 -3.378) 3.378 17.782 ( 0.000 0.000 -2.830) 2.830 17.872 ( -0.000 0.000 0.700) 0.700 17.876 ( 0.000 0.000 0.100) 0.100 17.918 ( 0.000 0.000 -0.320) 0.320 17.929 ( 0.000 0.000 -1.267) 1.267 18.083 ( 0.000 0.000 0.975) 0.975 18.084 ( -0.000 -0.000 0.844) 0.844 18.124 ( -0.000 0.000 0.568) 0.568 18.131 ( 0.000 -0.000 -0.191) 0.191 18.146 ( -0.000 -0.000 -0.788) 0.788 18.146 ( 0.000 0.000 -0.690) 0.690 27.548 ( 0.000 0.000 1.056) 1.056 27.556 ( 0.000 0.000 0.269) 0.269 27.608 ( 0.000 0.000 0.869) 0.869 27.622 ( 0.000 0.000 -0.526) 0.526 27.718 ( 0.000 0.000 -0.948) 0.948 27.726 ( 0.000 0.000 -1.728) 1.728 28.709 ( 0.000 0.000 0.735) 0.735 28.713 ( -0.000 -0.000 0.512) 0.512 28.884 ( 0.000 0.000 1.580) 1.580 28.905 ( 0.000 0.000 -0.658) 0.658 29.244 ( 0.000 0.000 1.218) 1.218 29.286 ( 0.000 0.000 -2.910) 2.910 30.514 ( 0.000 0.000 9.879) 9.879 30.601 ( 0.000 0.000 5.777) 5.777 30.702 ( 0.000 0.000 -7.795) 7.795 30.724 ( 0.000 0.000 -5.471) 5.471 33.554 ( 0.000 0.000 6.410) 6.410 33.583 ( 0.000 0.000 3.335) 3.335 36.095 ( 0.000 0.000 3.491) 3.491 36.168 ( 0.000 0.000 -3.643) 3.643 36.323 ( 0.000 0.000 1.578) 1.578 36.333 ( 0.000 -0.000 4.417) 4.417 36.493 ( 0.000 0.000 -2.215) 2.215 36.627 ( 0.000 0.000 -11.611) 11.611 ======================= Grid point 180 (37/40) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -3.172 -5.374 10.686) 12.374 1.598 ( -1.152 -1.814 7.246) 7.558 1.679 ( -0.720 -1.783 -0.518) 1.992 1.760 ( 0.102 0.230 -3.227) 3.236 2.252 ( -1.461 -2.124 3.772) 4.569 2.326 ( -2.161 -2.309 -2.498) 4.030 2.426 ( 1.721 4.311 3.663) 5.913 2.516 ( 5.982 3.200 -3.631) 7.695 2.624 ( -0.226 4.336 9.829) 10.746 2.848 ( 1.405 1.748 -8.594) 8.882 3.271 ( 3.509 3.293 3.727) 6.086 3.282 ( 0.922 5.434 14.411) 15.429 3.372 ( 0.841 -0.426 -1.490) 1.763 3.521 ( 0.447 3.540 -3.419) 4.941 3.541 ( 2.453 1.671 2.320) 3.767 3.587 ( 1.444 5.748 2.759) 6.538 3.741 ( -1.252 -1.421 -1.683) 2.534 3.775 ( 1.982 -1.976 -4.569) 5.358 3.827 ( 0.501 -0.043 2.567) 2.616 3.898 ( -0.464 1.391 -6.526) 6.689 4.137 ( -0.617 -2.224 5.054) 5.556 4.262 ( -3.972 -2.596 -4.528) 6.559 4.445 ( -1.235 -0.343 3.212) 3.459 4.477 ( 2.262 -0.505 -1.449) 2.733 4.587 ( -0.703 0.985 -3.275) 3.492 4.643 ( 1.597 1.026 -3.676) 4.137 4.825 ( -0.448 -2.247 2.827) 3.639 4.833 ( 0.067 1.094 0.626) 1.262 4.983 ( -1.628 -3.864 1.931) 4.616 5.079 ( -3.886 -6.267 -6.781) 10.018 5.219 ( -1.445 -2.361 3.455) 4.427 5.286 ( -3.245 -3.904 -2.990) 5.892 5.395 ( -1.419 -2.743 6.366) 7.076 5.494 ( -2.589 -1.875 -1.289) 3.447 5.619 ( 3.979 2.617 -1.242) 4.922 5.661 ( 2.874 5.175 -4.994) 7.745 5.924 ( -1.720 -3.652 8.249) 9.184 5.976 ( -0.406 1.415 5.199) 5.403 6.048 ( -0.545 -1.275 -2.018) 2.448 6.112 ( -2.439 -4.180 -8.128) 9.460 6.260 ( 2.151 3.325 1.730) 4.321 6.316 ( 1.280 2.369 -3.261) 4.229 12.865 ( -0.306 -0.586 0.327) 0.737 12.870 ( -0.413 -0.588 0.096) 0.725 12.912 ( 0.242 0.163 2.829) 2.843 12.955 ( 0.258 0.832 -1.246) 1.521 12.995 ( 1.411 1.631 -0.437) 2.201 13.003 ( 0.851 2.087 -1.135) 2.523 13.179 ( -1.095 -1.653 1.752) 2.646 13.202 ( 0.075 -0.442 1.053) 1.145 13.228 ( -0.940 -0.470 -1.492) 1.825 13.239 ( 0.330 -0.429 -1.075) 1.203 13.285 ( -0.199 -0.078 0.035) 0.217 13.308 ( -0.172 -0.398 -1.574) 1.632 17.276 ( -1.237 -2.196 0.195) 2.528 17.283 ( -1.188 -1.985 -0.441) 2.355 17.343 ( -0.040 -0.033 0.185) 0.192 17.349 ( -0.033 -0.116 -0.438) 0.454 17.696 ( -0.237 -0.982 2.891) 3.063 17.704 ( 0.267 0.970 2.418) 2.619 17.763 ( -0.363 -0.708 -2.177) 2.318 17.770 ( 0.070 0.235 -2.885) 2.895 17.839 ( 0.862 1.919 0.379) 2.137 17.849 ( 1.105 1.749 -0.611) 2.157 17.932 ( -0.596 -0.942 0.092) 1.118 17.949 ( 0.112 -0.139 -1.413) 1.424 18.069 ( 0.322 0.579 0.726) 0.983 18.074 ( 1.078 1.169 0.273) 1.614 18.112 ( -0.349 0.239 1.289) 1.357 18.120 ( -0.278 -0.273 0.409) 0.565 18.142 ( 0.037 -0.017 -0.578) 0.580 18.154 ( 0.427 0.461 -1.299) 1.443 27.549 ( -0.210 -0.406 1.132) 1.220 27.562 ( -0.340 -0.553 -0.200) 0.680 27.590 ( 0.648 1.272 0.673) 1.578 27.605 ( 0.826 1.262 -0.801) 1.707 27.700 ( 0.102 0.196 2.113) 2.125 27.765 ( -0.849 -1.461 -4.112) 4.445 28.691 ( 1.023 1.877 2.434) 3.240 28.727 ( 0.800 0.855 -0.860) 1.453 28.775 ( 1.785 4.438 1.157) 4.922 28.797 ( 2.212 2.878 -0.836) 3.725 29.355 ( -3.337 -5.755 2.427) 7.081 29.421 ( -3.545 -6.119 -4.166) 8.208 30.550 ( -0.611 -1.626 9.038) 9.204 30.602 ( -0.721 0.041 4.759) 4.814 30.686 ( 0.123 -1.553 -3.755) 4.065 30.734 ( 0.393 1.707 -7.762) 7.958 33.576 ( -0.264 -0.542 5.843) 5.874 33.613 ( -1.616 -2.716 2.483) 4.018 36.113 ( -0.022 -0.655 2.613) 2.694 36.156 ( -1.012 -0.283 -0.625) 1.223 36.231 ( 2.739 3.295 1.409) 4.510 36.309 ( 2.442 4.886 -5.975) 8.096 36.494 ( -1.117 -1.999 7.507) 7.848 36.696 ( -1.631 -2.819 -12.082) 12.513 ======================= Grid point 181 (38/40) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.725 -2.293 14.171) 14.612 1.599 ( 1.637 -1.792 7.797) 8.166 1.649 ( 0.803 -1.800 -5.057) 5.428 1.734 ( -1.703 -1.410 -5.598) 6.019 2.224 ( -0.210 -1.551 3.842) 4.148 2.267 ( -0.171 -1.502 1.800) 2.351 2.490 ( -0.780 4.509 4.245) 6.242 2.592 ( -4.931 7.643 -3.624) 9.790 2.715 ( 6.497 1.043 5.339) 8.473 2.879 ( 1.175 -1.800 -7.068) 7.387 3.342 ( -0.150 5.198 5.650) 7.678 3.377 ( 0.993 3.446 11.508) 12.054 3.431 ( 3.797 3.987 -1.098) 5.614 3.512 ( -2.737 -0.174 -1.992) 3.390 3.595 ( 1.927 -1.241 -5.874) 6.306 3.656 ( 1.802 3.844 0.796) 4.319 3.749 ( 2.290 -2.766 1.758) 3.998 3.788 ( 0.131 -2.844 -0.390) 2.874 3.822 ( 1.270 -3.059 4.988) 5.988 3.895 ( -0.965 1.286 -8.659) 8.807 4.071 ( -2.751 -0.688 5.086) 5.823 4.174 ( 0.609 -4.602 -1.538) 4.891 4.435 ( -0.099 1.043 4.078) 4.210 4.487 ( -3.678 0.678 -3.510) 5.130 4.523 ( -0.253 -2.304 -2.469) 3.386 4.617 ( -1.500 -2.848 -4.119) 5.227 4.850 ( 2.475 1.589 4.076) 5.027 4.876 ( -0.108 0.337 0.062) 0.359 4.966 ( 0.457 1.142 -0.876) 1.510 5.003 ( -0.418 -0.144 -4.760) 4.781 5.160 ( -1.567 -0.595 0.955) 1.929 5.178 ( -4.092 -1.132 -0.509) 4.276 5.360 ( -0.011 -1.442 7.043) 7.190 5.463 ( 1.650 -3.901 -1.170) 4.394 5.725 ( 3.292 3.583 -1.432) 5.072 5.757 ( 1.607 2.158 -2.324) 3.555 5.836 ( -3.087 -1.042 4.916) 5.897 5.983 ( -1.036 -1.362 -5.310) 5.579 6.008 ( -0.604 -1.109 -0.192) 1.277 6.041 ( -1.386 -0.850 -1.674) 2.333 6.312 ( 0.977 1.069 2.102) 2.553 6.348 ( 0.663 0.136 -1.437) 1.588 12.858 ( -0.143 -0.121 0.134) 0.230 12.860 ( -0.161 -0.184 0.018) 0.246 12.917 ( 0.264 -0.259 3.426) 3.446 12.968 ( 0.160 0.678 -1.211) 1.397 13.031 ( 0.395 1.297 -0.780) 1.564 13.038 ( 0.649 1.562 -1.126) 2.032 13.143 ( -0.207 -2.164 2.007) 2.959 13.193 ( 0.157 -1.533 -2.325) 2.789 13.211 ( -1.002 0.914 1.570) 2.074 13.241 ( -0.022 0.211 -0.390) 0.444 13.281 ( -0.059 0.057 -0.429) 0.437 13.302 ( -0.012 -0.407 -1.665) 1.714 17.241 ( -0.517 -1.051 0.219) 1.192 17.250 ( -0.633 -0.718 -0.572) 1.115 17.344 ( 0.123 -0.075 0.093) 0.171 17.347 ( -0.047 -0.163 -0.209) 0.270 17.683 ( -0.711 0.445 3.247) 3.353 17.716 ( 0.638 -0.471 2.547) 2.668 17.754 ( -0.326 0.222 -3.339) 3.362 17.775 ( 0.431 -0.275 -3.046) 3.089 17.869 ( 0.523 1.183 0.406) 1.355 17.880 ( 0.561 0.873 -0.644) 1.221 17.914 ( -0.318 -0.518 0.803) 1.007 17.940 ( -0.552 -0.252 -1.523) 1.639 18.083 ( 0.275 0.722 1.436) 1.630 18.098 ( -1.045 0.187 0.820) 1.342 18.107 ( 1.404 0.223 0.300) 1.453 18.126 ( 0.534 0.419 -0.288) 0.737 18.139 ( 0.092 -0.390 -0.425) 0.584 18.155 ( -0.450 -0.404 -1.048) 1.210 27.544 ( 0.067 -0.339 1.007) 1.065 27.551 ( -0.077 -0.596 0.271) 0.659 27.614 ( 0.258 1.114 0.932) 1.475 27.631 ( 0.153 1.350 -0.825) 1.589 27.707 ( 0.665 0.041 0.011) 0.666 27.732 ( -0.982 -1.299 -2.385) 2.888 28.728 ( -0.107 2.954 1.346) 3.247 28.744 ( -1.114 2.305 -0.237) 2.572 28.847 ( 3.007 0.336 1.798) 3.520 28.871 ( 2.860 -0.061 -0.747) 2.957 29.249 ( -1.973 -2.887 1.329) 3.741 29.294 ( -3.023 -4.262 -3.199) 6.127 30.528 ( -0.878 0.134 11.190) 11.225 30.599 ( 0.186 0.475 3.748) 3.782 30.669 ( 0.396 -2.508 -2.462) 3.537 30.757 ( -0.337 2.186 -9.937) 10.180 33.561 ( -0.945 -0.528 5.525) 5.630 33.573 ( 0.137 -1.271 4.170) 4.361 36.104 ( -0.626 0.246 2.636) 2.720 36.144 ( 0.748 -1.466 -0.872) 1.862 36.318 ( 2.540 3.511 3.617) 5.645 36.376 ( -1.836 3.050 -1.925) 4.047 36.467 ( 1.578 -1.513 0.467) 2.235 36.629 ( -1.757 -2.720 -11.868) 12.302 ======================= Grid point 182 (39/40) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 3.429 1.248 14.727) 15.172 1.589 ( 0.673 -2.177 3.452) 4.136 1.665 ( 0.929 -2.160 0.628) 2.434 1.726 ( 2.200 1.193 -7.834) 8.224 2.219 ( 1.256 -0.543 5.489) 5.657 2.284 ( 2.674 -1.149 1.068) 3.101 2.490 ( -3.432 2.864 3.547) 5.706 2.557 ( -6.259 6.871 -1.243) 9.377 2.751 ( -3.195 -3.378 1.871) 5.012 2.866 ( 0.948 -1.865 -5.418) 5.808 3.340 ( -4.569 2.203 5.269) 7.314 3.381 ( -2.132 2.706 1.900) 3.934 3.417 ( -6.040 -2.186 8.281) 10.480 3.538 ( 1.023 1.822 -1.809) 2.764 3.594 ( -0.408 -1.749 -2.110) 2.771 3.709 ( 1.282 -3.151 0.611) 3.456 3.722 ( -3.591 -0.964 -2.084) 4.263 3.739 ( 0.338 -0.844 -1.628) 1.864 3.808 ( 2.266 -1.290 4.823) 5.482 3.899 ( 0.320 0.886 -8.239) 8.293 4.077 ( 1.833 1.235 7.357) 7.682 4.208 ( 5.966 -3.825 -3.210) 7.780 4.438 ( -0.783 0.364 2.370) 2.522 4.463 ( -0.222 3.948 1.501) 4.229 4.535 ( 2.633 -0.278 -3.817) 4.645 4.609 ( 2.695 -0.032 -5.276) 5.925 4.841 ( -2.542 -0.758 3.512) 4.401 4.886 ( -0.016 -0.543 -0.467) 0.717 4.943 ( -2.466 1.127 -0.052) 2.711 5.014 ( 0.785 -0.084 -4.917) 4.980 5.161 ( 1.726 1.273 1.963) 2.907 5.195 ( 3.514 2.392 -1.515) 4.512 5.359 ( 1.243 -0.764 7.008) 7.159 5.467 ( 3.232 -3.819 -1.616) 5.258 5.696 ( -5.624 0.612 2.525) 6.195 5.761 ( -3.097 -0.560 -3.106) 4.422 5.852 ( 2.368 1.025 2.178) 3.376 5.975 ( 2.462 0.882 -6.690) 7.183 6.015 ( 0.476 -0.500 0.694) 0.979 6.042 ( 1.848 0.772 -0.778) 2.148 6.312 ( -1.512 -0.294 1.989) 2.516 6.348 ( -0.421 -0.503 -1.426) 1.570 12.857 ( 0.164 0.065 0.164) 0.241 12.861 ( 0.276 0.040 -0.037) 0.282 12.916 ( -0.010 -0.314 3.448) 3.462 12.969 ( -0.520 0.134 -1.450) 1.546 13.029 ( -1.649 0.406 -0.275) 1.720 13.039 ( -1.399 0.147 -1.202) 1.850 13.145 ( 2.061 -0.962 1.649) 2.809 13.191 ( 0.923 -0.654 -1.882) 2.196 13.212 ( -0.015 1.181 1.139) 1.641 13.240 ( -0.293 0.094 -0.003) 0.307 13.283 ( 0.097 0.063 -0.710) 0.719 13.301 ( 0.313 -0.190 -1.611) 1.652 17.241 ( 1.144 -0.063 0.251) 1.173 17.250 ( 0.972 0.173 -0.609) 1.160 17.344 ( 0.013 -0.160 0.109) 0.194 17.347 ( 0.145 -0.021 -0.220) 0.264 17.682 ( -0.109 0.815 3.250) 3.352 17.717 ( 0.153 -0.760 2.540) 2.656 17.753 ( -0.059 0.374 -3.374) 3.395 17.776 ( 0.060 -0.493 -3.022) 3.062 17.875 ( -1.230 -0.225 0.146) 1.259 17.877 ( -0.924 0.271 -0.006) 0.963 17.916 ( 0.623 -0.117 0.377) 0.737 17.937 ( 0.313 0.525 -1.475) 1.597 18.082 ( -0.880 0.141 1.146) 1.451 18.089 ( -0.404 0.417 0.677) 0.892 18.120 ( 0.213 -0.439 1.051) 1.159 18.128 ( -0.664 -0.541 0.250) 0.892 18.139 ( 0.085 -0.332 -0.993) 1.051 18.151 ( 0.594 0.430 -1.320) 1.510 27.543 ( 0.240 -0.207 1.053) 1.099 27.552 ( 0.583 -0.256 0.224) 0.675 27.614 ( -1.045 0.311 0.873) 1.397 27.630 ( -1.314 0.574 -0.743) 1.615 27.707 ( -0.362 -0.558 -0.014) 0.666 27.732 ( 1.624 0.199 -2.383) 2.891 28.729 ( -2.609 1.654 1.197) 3.313 28.742 ( -1.374 1.948 0.162) 2.389 28.856 ( -1.362 -1.834 0.751) 2.405 28.862 ( -1.791 -3.010 0.049) 3.503 29.249 ( 3.510 0.267 1.356) 3.772 29.295 ( 5.209 0.468 -3.217) 6.140 30.526 ( 0.147 0.838 10.856) 10.890 30.607 ( -0.091 0.074 4.710) 4.712 30.660 ( 1.369 -1.401 -3.221) 3.770 30.760 ( -1.365 1.185 -9.819) 9.984 33.559 ( 0.833 0.457 5.706) 5.785 33.575 ( 1.127 -0.656 3.994) 4.202 36.102 ( -0.046 0.613 2.827) 2.893 36.148 ( 1.252 -1.413 -1.429) 2.368 36.310 ( -4.558 0.101 4.308) 6.273 36.385 ( -1.713 2.792 -2.684) 4.235 36.464 ( 0.548 -2.253 0.894) 2.485 36.630 ( 3.233 0.156 -11.863) 12.296 ======================= Grid point 187 (40/40) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.000 -0.000 14.490) 14.490 1.609 ( -1.084 -2.169 3.185) 4.003 1.609 ( 1.084 2.169 3.185) 4.003 1.703 ( -0.000 -0.000 -13.142) 13.142 2.227 ( -0.797 -1.594 5.921) 6.183 2.227 ( 0.797 1.594 5.921) 6.183 2.546 ( 0.000 -0.000 6.782) 6.782 2.707 ( -0.000 -0.000 -7.718) 7.718 2.783 ( -2.455 -4.910 -1.303) 5.642 2.783 ( 2.455 4.910 -1.303) 5.642 3.423 ( 0.000 -0.000 10.403) 10.403 3.468 ( -1.034 -2.069 -5.570) 6.031 3.468 ( 1.034 2.069 -5.570) 6.031 3.497 ( 0.000 -0.000 14.818) 14.818 3.574 ( 0.000 -0.000 -3.413) 3.413 3.682 ( -0.569 -1.138 -2.118) 2.471 3.682 ( 0.569 1.138 -2.118) 2.471 3.770 ( -0.335 -0.670 7.386) 7.424 3.770 ( 0.335 0.670 7.386) 7.424 3.910 ( -0.000 -0.000 -17.950) 17.950 4.093 ( -1.312 -2.624 4.750) 5.583 4.093 ( 1.312 2.624 4.750) 5.583 4.454 ( 0.000 -0.000 5.325) 5.325 4.493 ( -0.671 -1.341 -6.228) 6.406 4.493 ( 0.671 1.341 -6.228) 6.406 4.580 ( 0.000 -0.000 -6.120) 6.120 4.870 ( -0.247 -0.495 3.735) 3.775 4.870 ( 0.247 0.495 3.735) 3.775 5.001 ( -0.565 -1.131 -2.769) 3.044 5.001 ( 0.565 1.131 -2.769) 3.044 5.165 ( -0.356 -0.711 0.075) 0.799 5.165 ( 0.356 0.711 0.075) 0.799 5.332 ( -0.000 -0.000 7.667) 7.667 5.419 ( -0.000 -0.000 0.902) 0.902 5.770 ( -0.581 -1.162 -0.187) 1.312 5.770 ( 0.581 1.162 -0.187) 1.312 5.829 ( -0.000 -0.000 0.131) 0.131 5.959 ( 0.000 -0.000 -10.618) 10.618 6.018 ( -0.420 -0.841 1.698) 1.941 6.018 ( 0.420 0.841 1.698) 1.941 6.336 ( -0.475 -0.951 0.266) 1.096 6.336 ( 0.475 0.951 0.266) 1.096 12.857 ( -0.037 -0.074 -0.007) 0.083 12.857 ( 0.037 0.074 -0.007) 0.083 12.914 ( -0.000 -0.000 3.780) 3.780 12.976 ( -0.000 -0.000 -1.912) 1.912 13.055 ( -0.157 -0.314 -0.448) 0.569 13.055 ( 0.157 0.314 -0.448) 0.569 13.112 ( 0.000 -0.000 1.692) 1.692 13.171 ( -0.000 -0.000 -3.548) 3.548 13.232 ( -0.415 -0.831 1.853) 2.073 13.232 ( 0.415 0.831 1.853) 2.073 13.290 ( -0.291 -0.582 -1.773) 1.889 13.290 ( 0.291 0.582 -1.773) 1.889 17.230 ( -0.000 -0.000 0.303) 0.303 17.242 ( -0.000 -0.000 -0.828) 0.828 17.344 ( -0.040 -0.079 0.023) 0.092 17.344 ( 0.040 0.079 0.023) 0.092 17.699 ( -0.441 -0.882 2.829) 2.996 17.699 ( 0.441 0.882 2.829) 2.996 17.765 ( -0.295 -0.591 -3.236) 3.303 17.765 ( 0.295 0.591 -3.236) 3.303 17.886 ( -0.126 -0.253 -0.409) 0.497 17.886 ( 0.126 0.253 -0.409) 0.497 17.909 ( -0.000 0.000 1.384) 1.384 17.938 ( -0.000 -0.000 -1.433) 1.433 18.093 ( -0.000 -0.000 1.826) 1.826 18.106 ( -0.289 -0.579 1.409) 1.551 18.106 ( 0.289 0.579 1.409) 1.551 18.130 ( -0.000 -0.000 -1.772) 1.772 18.141 ( -0.294 -0.587 -1.005) 1.200 18.141 ( 0.294 0.587 -1.005) 1.200 27.542 ( -0.092 -0.184 0.666) 0.697 27.542 ( 0.092 0.184 0.666) 0.697 27.628 ( -0.000 -0.000 1.155) 1.155 27.651 ( -0.000 -0.000 -1.146) 1.146 27.710 ( -0.240 -0.480 -1.126) 1.247 27.710 ( 0.240 0.480 -1.126) 1.247 28.779 ( 0.000 -0.000 1.047) 1.047 28.791 ( -0.000 0.000 -0.273) 0.273 28.840 ( -0.321 -0.642 0.928) 1.173 28.840 ( 0.321 0.642 0.928) 1.173 29.231 ( -0.604 -1.207 -1.226) 1.823 29.231 ( 0.604 1.207 -1.226) 1.823 30.532 ( -0.000 -0.000 13.084) 13.084 30.623 ( -0.734 -1.467 0.692) 1.780 30.623 ( 0.734 1.467 0.692) 1.780 30.781 ( -0.000 -0.000 -11.743) 11.743 33.556 ( -0.143 -0.286 5.013) 5.023 33.556 ( 0.143 0.286 5.013) 5.023 36.117 ( -0.471 -0.941 1.154) 1.562 36.117 ( 0.471 0.941 1.154) 1.562 36.364 ( -0.000 -0.000 9.970) 9.970 36.431 ( -0.689 -1.378 -3.893) 4.186 36.431 ( 0.689 1.378 -3.893) 4.186 36.591 ( -0.000 -0.000 -12.607) 12.607 =================== 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 3/31104 10.0 25.112 25.112 41.370 -0.000 -0.000 -0.000 3/31104 20.0 5.559 5.559 12.924 -0.000 0.000 -0.000 3/31104 30.0 2.731 2.731 7.004 -0.000 0.000 -0.000 3/31104 40.0 1.744 1.744 4.698 -0.000 0.000 -0.000 3/31104 50.0 1.274 1.274 3.527 -0.000 0.000 -0.000 3/31104 60.0 1.009 1.009 2.835 -0.000 0.000 -0.000 3/31104 70.0 0.841 0.841 2.380 -0.000 0.000 -0.000 3/31104 80.0 0.726 0.726 2.059 -0.000 0.000 -0.000 3/31104 90.0 0.640 0.640 1.820 -0.000 0.000 -0.000 3/31104 100.0 0.574 0.574 1.634 -0.000 0.000 -0.000 3/31104 110.0 0.522 0.522 1.485 -0.000 0.000 -0.000 3/31104 120.0 0.479 0.479 1.362 -0.000 0.000 -0.000 3/31104 130.0 0.443 0.443 1.260 -0.000 0.000 -0.000 3/31104 140.0 0.412 0.412 1.173 -0.000 0.000 -0.000 3/31104 150.0 0.386 0.386 1.097 -0.000 0.000 -0.000 3/31104 160.0 0.362 0.362 1.032 -0.000 0.000 -0.000 3/31104 170.0 0.342 0.342 0.974 -0.000 0.000 -0.000 3/31104 180.0 0.324 0.324 0.923 -0.000 0.000 -0.000 3/31104 190.0 0.308 0.308 0.878 -0.000 0.000 -0.000 3/31104 200.0 0.294 0.294 0.838 -0.000 0.000 -0.000 3/31104 210.0 0.281 0.281 0.801 -0.000 0.000 -0.000 3/31104 220.0 0.269 0.269 0.768 -0.000 0.000 -0.000 3/31104 230.0 0.259 0.259 0.739 -0.000 0.000 -0.000 3/31104 240.0 0.249 0.249 0.711 -0.000 0.000 -0.000 3/31104 250.0 0.240 0.240 0.687 -0.000 0.000 -0.000 3/31104 260.0 0.232 0.232 0.664 -0.000 0.000 -0.000 3/31104 270.0 0.224 0.224 0.643 -0.000 0.000 -0.000 3/31104 280.0 0.217 0.217 0.624 -0.000 0.000 -0.000 3/31104 290.0 0.211 0.211 0.606 -0.000 0.000 -0.000 3/31104 300.0 0.205 0.205 0.589 -0.000 0.000 -0.000 3/31104 310.0 0.199 0.199 0.574 -0.000 0.000 -0.000 3/31104 320.0 0.194 0.194 0.559 -0.000 0.000 -0.000 3/31104 330.0 0.189 0.189 0.546 -0.000 0.000 -0.000 3/31104 340.0 0.184 0.184 0.533 -0.000 0.000 -0.000 3/31104 350.0 0.180 0.180 0.521 -0.000 0.000 -0.000 3/31104 360.0 0.175 0.175 0.510 -0.000 0.000 -0.000 3/31104 370.0 0.171 0.171 0.500 -0.000 0.000 -0.000 3/31104 380.0 0.168 0.168 0.490 -0.000 0.000 -0.000 3/31104 390.0 0.164 0.164 0.480 -0.000 0.000 -0.000 3/31104 400.0 0.161 0.161 0.471 -0.000 0.000 -0.000 3/31104 410.0 0.158 0.158 0.463 -0.000 0.000 -0.000 3/31104 420.0 0.154 0.154 0.454 -0.000 0.000 -0.000 3/31104 430.0 0.152 0.152 0.446 -0.000 0.000 -0.000 3/31104 440.0 0.149 0.149 0.439 -0.000 0.000 -0.000 3/31104 450.0 0.146 0.146 0.432 -0.000 0.000 -0.000 3/31104 460.0 0.143 0.143 0.425 -0.000 0.000 -0.000 3/31104 470.0 0.141 0.141 0.418 -0.000 0.000 -0.000 3/31104 480.0 0.139 0.139 0.412 -0.000 0.000 -0.000 3/31104 490.0 0.136 0.136 0.406 -0.000 0.000 -0.000 3/31104 500.0 0.134 0.134 0.400 -0.000 0.000 -0.000 3/31104 510.0 0.132 0.132 0.394 -0.000 0.000 -0.000 3/31104 520.0 0.130 0.130 0.388 -0.000 0.000 -0.000 3/31104 530.0 0.128 0.128 0.383 -0.000 0.000 -0.000 3/31104 540.0 0.126 0.126 0.378 -0.000 0.000 -0.000 3/31104 550.0 0.124 0.124 0.373 -0.000 0.000 -0.000 3/31104 560.0 0.122 0.122 0.368 -0.000 0.000 -0.000 3/31104 570.0 0.120 0.120 0.363 -0.000 0.000 -0.000 3/31104 580.0 0.119 0.119 0.358 -0.000 0.000 -0.000 3/31104 590.0 0.117 0.117 0.354 -0.000 0.000 -0.000 3/31104 600.0 0.115 0.115 0.349 -0.000 0.000 -0.000 3/31104 610.0 0.114 0.114 0.345 -0.000 0.000 -0.000 3/31104 620.0 0.112 0.112 0.341 -0.000 0.000 -0.000 3/31104 630.0 0.111 0.111 0.337 -0.000 0.000 -0.000 3/31104 640.0 0.110 0.110 0.333 -0.000 0.000 -0.000 3/31104 650.0 0.108 0.108 0.329 -0.000 0.000 -0.000 3/31104 660.0 0.107 0.107 0.325 -0.000 0.000 -0.000 3/31104 670.0 0.105 0.105 0.321 -0.000 0.000 -0.000 3/31104 680.0 0.104 0.104 0.318 -0.000 0.000 -0.000 3/31104 690.0 0.103 0.103 0.314 -0.000 0.000 -0.000 3/31104 700.0 0.102 0.102 0.311 -0.000 0.000 -0.000 3/31104 710.0 0.100 0.100 0.308 -0.000 0.000 -0.000 3/31104 720.0 0.099 0.099 0.304 -0.000 0.000 -0.000 3/31104 730.0 0.098 0.098 0.301 -0.000 0.000 -0.000 3/31104 740.0 0.097 0.097 0.298 -0.000 0.000 -0.000 3/31104 750.0 0.096 0.096 0.295 -0.000 0.000 -0.000 3/31104 760.0 0.095 0.095 0.292 -0.000 0.000 -0.000 3/31104 770.0 0.094 0.094 0.289 -0.000 0.000 -0.000 3/31104 780.0 0.093 0.093 0.286 -0.000 0.000 -0.000 3/31104 790.0 0.092 0.092 0.283 -0.000 0.000 -0.000 3/31104 800.0 0.091 0.091 0.280 -0.000 0.000 -0.000 3/31104 810.0 0.090 0.090 0.277 -0.000 0.000 -0.000 3/31104 820.0 0.089 0.089 0.275 -0.000 0.000 -0.000 3/31104 830.0 0.088 0.088 0.272 -0.000 0.000 -0.000 3/31104 840.0 0.087 0.087 0.270 -0.000 0.000 -0.000 3/31104 850.0 0.086 0.086 0.267 -0.000 0.000 -0.000 3/31104 860.0 0.085 0.085 0.265 -0.000 0.000 -0.000 3/31104 870.0 0.085 0.085 0.262 -0.000 0.000 -0.000 3/31104 880.0 0.084 0.084 0.260 -0.000 0.000 -0.000 3/31104 890.0 0.083 0.083 0.257 -0.000 0.000 -0.000 3/31104 900.0 0.082 0.082 0.255 -0.000 0.000 -0.000 3/31104 910.0 0.081 0.081 0.253 -0.000 0.000 -0.000 3/31104 920.0 0.081 0.081 0.250 -0.000 0.000 -0.000 3/31104 930.0 0.080 0.080 0.248 -0.000 0.000 -0.000 3/31104 940.0 0.079 0.079 0.246 -0.000 0.000 -0.000 3/31104 950.0 0.078 0.078 0.244 -0.000 0.000 -0.000 3/31104 960.0 0.078 0.078 0.242 -0.000 0.000 -0.000 3/31104 970.0 0.077 0.077 0.240 -0.000 0.000 -0.000 3/31104 980.0 0.076 0.076 0.238 -0.000 0.000 -0.000 3/31104 990.0 0.076 0.076 0.236 -0.000 0.000 -0.000 3/31104 1000.0 0.075 0.075 0.234 -0.000 0.000 -0.000 3/31104 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:10:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|