----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:17:04]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.734133915017932 -4.294710820000000 0.000000000000000 b 4.734133915017932 4.294710820000000 0.000000000000000 c -1.586185556704496 0.000000000000000 4.998162154278931 Atomic positions (fractional): *1 O 0.36077195628981 0.34698802790432 0.50465497855571 15.999 2 O 0.65301197209568 0.63922804371019 0.99534502144429 15.999 3 O 0.63922804371019 0.65301197209568 0.49534502144429 15.999 4 O 0.34698802790432 0.36077195628981 0.00465497855571 15.999 *5 O 0.62543730364358 0.09606417502512 0.79186536769781 15.999 6 O 0.90393582497488 0.37456269635642 0.70813463230219 15.999 7 O 0.37456269635642 0.90393582497488 0.20813463230219 15.999 8 O 0.09606417502512 0.62543730364358 0.29186536769781 15.999 *9 O 0.03191822219034 0.18432763394142 0.12780884469156 15.999 10 O 0.81567236605858 0.96808177780966 0.37219115530844 15.999 11 O 0.96808177780966 0.81567236605858 0.87219115530844 15.999 12 O 0.18432763394142 0.03191822219034 0.62780884469156 15.999 *13 Na 0.69916664831783 0.30083335168217 0.25000000000000 22.990 14 Na 0.30083335168217 0.69916664831783 0.75000000000000 22.990 *15 Al 0.09307284308046 0.90692715691954 0.25000000000000 26.982 16 Al 0.90692715691954 0.09307284308046 0.75000000000000 26.982 *17 Si 0.19592611760903 0.38406138706392 0.22539080906817 28.085 18 Si 0.61593861293608 0.80407388239097 0.27460919093183 28.085 19 Si 0.80407388239097 0.61593861293608 0.77460919093183 28.085 20 Si 0.38406138706392 0.19592611760903 0.72539080906817 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.468267830035863 0.000000000000000 0.000000000000000 b 0.000000000000000 8.589421639999999 0.000000000000000 c -1.586185556704496 0.000000000000000 4.998162154278931 Atomic positions (fractional): *1 O 0.85387999209707 0.49310803580726 0.50465497855571 15.999 > 1 2 O 0.14612000790293 0.49310803580726 0.99534502144429 15.999 > 2 3 O 0.14612000790293 0.50689196419274 0.49534502144429 15.999 > 3 4 O 0.85387999209707 0.50689196419274 0.00465497855571 15.999 > 4 *5 O 0.86075073933435 0.23531343569077 0.79186536769781 15.999 > 5 6 O 0.13924926066565 0.23531343569077 0.70813463230219 15.999 > 6 7 O 0.13924926066565 0.76468656430923 0.20813463230219 15.999 > 7 8 O 0.86075073933435 0.76468656430923 0.29186536769781 15.999 > 8 *9 O 0.60812292806588 0.57620470587554 0.12780884469156 15.999 > 9 10 O 0.39187707193412 0.57620470587554 0.37219115530844 15.999 > 10 11 O 0.39187707193412 0.42379529412446 0.87219115530844 15.999 > 11 12 O 0.60812292806588 0.42379529412446 0.62780884469156 15.999 > 12 13 O 0.35387999209707 0.99310803580726 0.50465497855571 15.999 > 1 14 O 0.64612000790293 0.99310803580726 0.99534502144429 15.999 > 2 15 O 0.64612000790293 0.00689196419274 0.49534502144429 15.999 > 3 16 O 0.35387999209707 0.00689196419274 0.00465497855571 15.999 > 4 17 O 0.36075073933435 0.73531343569077 0.79186536769781 15.999 > 5 18 O 0.63924926066565 0.73531343569077 0.70813463230219 15.999 > 6 19 O 0.63924926066565 0.26468656430923 0.20813463230219 15.999 > 7 20 O 0.36075073933435 0.26468656430923 0.29186536769781 15.999 > 8 21 O 0.10812292806588 0.07620470587554 0.12780884469156 15.999 > 9 22 O 0.89187707193412 0.07620470587554 0.37219115530844 15.999 > 10 23 O 0.89187707193412 0.92379529412446 0.87219115530844 15.999 > 11 24 O 0.10812292806588 0.92379529412446 0.62780884469156 15.999 > 12 *25 Na 0.00000000000000 0.30083335168217 0.25000000000000 22.990 > 13 26 Na 0.00000000000000 0.69916664831783 0.75000000000000 22.990 > 14 27 Na 0.50000000000000 0.80083335168217 0.25000000000000 22.990 > 13 28 Na 0.50000000000000 0.19916664831783 0.75000000000000 22.990 > 14 *29 Al 0.00000000000000 0.90692715691954 0.25000000000000 26.982 > 15 30 Al 0.00000000000000 0.09307284308046 0.75000000000000 26.982 > 16 31 Al 0.50000000000000 0.40692715691954 0.25000000000000 26.982 > 15 32 Al 0.50000000000000 0.59307284308046 0.75000000000000 26.982 > 16 *33 Si 0.78999375233647 0.59406763472745 0.22539080906817 28.085 > 17 34 Si 0.21000624766353 0.59406763472745 0.27460919093183 28.085 > 18 35 Si 0.21000624766353 0.40593236527255 0.77460919093183 28.085 > 19 36 Si 0.78999375233647 0.40593236527255 0.72539080906817 28.085 > 20 37 Si 0.28999375233647 0.09406763472745 0.22539080906817 28.085 > 17 38 Si 0.71000624766353 0.09406763472745 0.27460919093183 28.085 > 18 39 Si 0.71000624766353 0.90593236527255 0.77460919093183 28.085 > 19 40 Si 0.28999375233647 0.90593236527255 0.72539080906817 28.085 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.468267830035863 0.000000000000000 0.000000000000000 b 0.000000000000000 8.589421639999999 0.000000000000000 c -3.172371113408992 0.000000000000000 9.996324308557861 Atomic positions (fractional): *1 O 0.85387999209707 0.49310803580726 0.25232748927786 15.999 > 1 2 O 0.85387999209707 0.49310803580726 0.75232748927786 15.999 > 1 3 O 0.14612000790293 0.49310803580726 0.49767251072214 15.999 > 2 4 O 0.14612000790293 0.49310803580726 0.99767251072214 15.999 > 2 5 O 0.14612000790293 0.50689196419274 0.24767251072214 15.999 > 3 6 O 0.14612000790293 0.50689196419274 0.74767251072214 15.999 > 3 7 O 0.85387999209707 0.50689196419274 0.00232748927786 15.999 > 4 8 O 0.85387999209707 0.50689196419274 0.50232748927786 15.999 > 4 *9 O 0.86075073933435 0.23531343569077 0.39593268384890 15.999 > 5 10 O 0.86075073933435 0.23531343569077 0.89593268384890 15.999 > 5 11 O 0.13924926066565 0.23531343569077 0.35406731615110 15.999 > 6 12 O 0.13924926066565 0.23531343569077 0.85406731615110 15.999 > 6 13 O 0.13924926066565 0.76468656430923 0.10406731615110 15.999 > 7 14 O 0.13924926066565 0.76468656430923 0.60406731615110 15.999 > 7 15 O 0.86075073933435 0.76468656430923 0.14593268384890 15.999 > 8 16 O 0.86075073933435 0.76468656430923 0.64593268384890 15.999 > 8 *17 O 0.60812292806588 0.57620470587554 0.06390442234578 15.999 > 9 18 O 0.60812292806588 0.57620470587554 0.56390442234578 15.999 > 9 19 O 0.39187707193412 0.57620470587554 0.18609557765422 15.999 > 10 20 O 0.39187707193412 0.57620470587554 0.68609557765422 15.999 > 10 21 O 0.39187707193412 0.42379529412446 0.43609557765422 15.999 > 11 22 O 0.39187707193412 0.42379529412446 0.93609557765422 15.999 > 11 23 O 0.60812292806588 0.42379529412446 0.31390442234578 15.999 > 12 24 O 0.60812292806588 0.42379529412446 0.81390442234578 15.999 > 12 25 O 0.35387999209707 0.99310803580726 0.25232748927786 15.999 > 1 26 O 0.35387999209707 0.99310803580726 0.75232748927786 15.999 > 1 27 O 0.64612000790293 0.99310803580726 0.49767251072214 15.999 > 2 28 O 0.64612000790293 0.99310803580726 0.99767251072214 15.999 > 2 29 O 0.64612000790293 0.00689196419274 0.24767251072214 15.999 > 3 30 O 0.64612000790293 0.00689196419274 0.74767251072214 15.999 > 3 31 O 0.35387999209707 0.00689196419274 0.00232748927786 15.999 > 4 32 O 0.35387999209707 0.00689196419274 0.50232748927786 15.999 > 4 33 O 0.36075073933435 0.73531343569077 0.39593268384890 15.999 > 5 34 O 0.36075073933435 0.73531343569077 0.89593268384890 15.999 > 5 35 O 0.63924926066565 0.73531343569077 0.35406731615110 15.999 > 6 36 O 0.63924926066565 0.73531343569077 0.85406731615110 15.999 > 6 37 O 0.63924926066565 0.26468656430923 0.10406731615110 15.999 > 7 38 O 0.63924926066565 0.26468656430923 0.60406731615110 15.999 > 7 39 O 0.36075073933435 0.26468656430923 0.14593268384890 15.999 > 8 40 O 0.36075073933435 0.26468656430923 0.64593268384890 15.999 > 8 41 O 0.10812292806588 0.07620470587554 0.06390442234578 15.999 > 9 42 O 0.10812292806588 0.07620470587554 0.56390442234578 15.999 > 9 43 O 0.89187707193412 0.07620470587554 0.18609557765422 15.999 > 10 44 O 0.89187707193412 0.07620470587554 0.68609557765422 15.999 > 10 45 O 0.89187707193412 0.92379529412446 0.43609557765422 15.999 > 11 46 O 0.89187707193412 0.92379529412446 0.93609557765422 15.999 > 11 47 O 0.10812292806588 0.92379529412446 0.31390442234578 15.999 > 12 48 O 0.10812292806588 0.92379529412446 0.81390442234578 15.999 > 12 *49 Na 0.00000000000000 0.30083335168217 0.12500000000000 22.990 > 13 50 Na 0.00000000000000 0.30083335168217 0.62500000000000 22.990 > 13 51 Na 0.00000000000000 0.69916664831783 0.37500000000000 22.990 > 14 52 Na 0.00000000000000 0.69916664831783 0.87500000000000 22.990 > 14 53 Na 0.50000000000000 0.80083335168217 0.12500000000000 22.990 > 13 54 Na 0.50000000000000 0.80083335168217 0.62500000000000 22.990 > 13 55 Na 0.50000000000000 0.19916664831783 0.37500000000000 22.990 > 14 56 Na 0.50000000000000 0.19916664831783 0.87500000000000 22.990 > 14 *57 Al 0.00000000000000 0.90692715691954 0.12500000000000 26.982 > 15 58 Al 0.00000000000000 0.90692715691954 0.62500000000000 26.982 > 15 59 Al 0.00000000000000 0.09307284308046 0.37500000000000 26.982 > 16 60 Al 0.00000000000000 0.09307284308046 0.87500000000000 26.982 > 16 61 Al 0.50000000000000 0.40692715691954 0.12500000000000 26.982 > 15 62 Al 0.50000000000000 0.40692715691954 0.62500000000000 26.982 > 15 63 Al 0.50000000000000 0.59307284308046 0.37500000000000 26.982 > 16 64 Al 0.50000000000000 0.59307284308046 0.87500000000000 26.982 > 16 *65 Si 0.78999375233647 0.59406763472745 0.11269540453408 28.085 > 17 66 Si 0.78999375233647 0.59406763472745 0.61269540453408 28.085 > 17 67 Si 0.21000624766353 0.59406763472745 0.13730459546592 28.085 > 18 68 Si 0.21000624766353 0.59406763472745 0.63730459546592 28.085 > 18 69 Si 0.21000624766353 0.40593236527255 0.38730459546592 28.085 > 19 70 Si 0.21000624766353 0.40593236527255 0.88730459546592 28.085 > 19 71 Si 0.78999375233647 0.40593236527255 0.36269540453408 28.085 > 20 72 Si 0.78999375233647 0.40593236527255 0.86269540453408 28.085 > 20 73 Si 0.28999375233647 0.09406763472745 0.11269540453408 28.085 > 17 74 Si 0.28999375233647 0.09406763472745 0.61269540453408 28.085 > 17 75 Si 0.71000624766353 0.09406763472745 0.13730459546592 28.085 > 18 76 Si 0.71000624766353 0.09406763472745 0.63730459546592 28.085 > 18 77 Si 0.71000624766353 0.90593236527255 0.38730459546592 28.085 > 19 78 Si 0.71000624766353 0.90593236527255 0.88730459546592 28.085 > 19 79 Si 0.28999375233647 0.90593236527255 0.36269540453408 28.085 > 20 80 Si 0.28999375233647 0.90593236527255 0.86269540453408 28.085 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8739622 0.0000000 0.0145739 0.0000000 2.8964986 0.0000000 0.0145737 0.0000000 2.9271251 -------------------------- Born effective charges -------------------------- 1 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 2 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 3 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 4 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 5 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 6 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 7 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 8 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 9 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 10 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 11 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 12 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 13 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 14 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 15 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 16 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 17 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 18 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 19 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 20 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.157 Solver_block: 200 / 640 - Time: 2.141 Solver_block: 300 / 640 - Time: 2.141 Solver_block: 400 / 640 - Time: 2.137 Solver_block: 500 / 640 - Time: 2.138 Solver_block: 600 / 640 - Time: 2.139 Solver_block: 640 / 640 - Time: 0.919 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.821 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:17:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:17:38]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.734133915017932 -4.294710820000000 0.000000000000000 b 4.734133915017932 4.294710820000000 0.000000000000000 c -1.586185556704496 0.000000000000000 4.998162154278931 Atomic positions (fractional): 1 O 0.36077195628981 0.34698802790432 0.50465497855571 15.999 2 O 0.65301197209568 0.63922804371019 0.99534502144429 15.999 3 O 0.63922804371019 0.65301197209568 0.49534502144429 15.999 4 O 0.34698802790432 0.36077195628981 0.00465497855571 15.999 5 O 0.62543730364358 0.09606417502512 0.79186536769781 15.999 6 O 0.90393582497488 0.37456269635642 0.70813463230219 15.999 7 O 0.37456269635642 0.90393582497488 0.20813463230219 15.999 8 O 0.09606417502512 0.62543730364358 0.29186536769781 15.999 9 O 0.03191822219034 0.18432763394142 0.12780884469156 15.999 10 O 0.81567236605858 0.96808177780966 0.37219115530844 15.999 11 O 0.96808177780966 0.81567236605858 0.87219115530844 15.999 12 O 0.18432763394142 0.03191822219034 0.62780884469156 15.999 13 Na 0.69916664831783 0.30083335168217 0.25000000000000 22.990 14 Na 0.30083335168217 0.69916664831783 0.75000000000000 22.990 15 Al 0.09307284308046 0.90692715691954 0.25000000000000 26.982 16 Al 0.90692715691954 0.09307284308046 0.75000000000000 26.982 17 Si 0.19592611760903 0.38406138706392 0.22539080906817 28.085 18 Si 0.61593861293608 0.80407388239097 0.27460919093183 28.085 19 Si 0.80407388239097 0.61593861293608 0.77460919093183 28.085 20 Si 0.38406138706392 0.19592611760903 0.72539080906817 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.468267830035863 0.000000000000000 0.000000000000000 b 0.000000000000000 8.589421639999999 0.000000000000000 c -3.172371113408992 0.000000000000000 9.996324308557861 Atomic positions (fractional): 1 O 0.85387999209707 0.49310803580726 0.25232748927786 15.999 > 1 2 O 0.85387999209707 0.49310803580726 0.75232748927786 15.999 > 1 3 O 0.14612000790293 0.49310803580726 0.49767251072214 15.999 > 3 4 O 0.14612000790293 0.49310803580726 0.99767251072214 15.999 > 3 5 O 0.14612000790293 0.50689196419274 0.24767251072214 15.999 > 5 6 O 0.14612000790293 0.50689196419274 0.74767251072214 15.999 > 5 7 O 0.85387999209707 0.50689196419274 0.00232748927786 15.999 > 7 8 O 0.85387999209707 0.50689196419274 0.50232748927786 15.999 > 7 9 O 0.86075073933435 0.23531343569077 0.39593268384890 15.999 > 9 10 O 0.86075073933435 0.23531343569077 0.89593268384890 15.999 > 9 11 O 0.13924926066565 0.23531343569077 0.35406731615110 15.999 > 11 12 O 0.13924926066565 0.23531343569077 0.85406731615110 15.999 > 11 13 O 0.13924926066565 0.76468656430923 0.10406731615110 15.999 > 13 14 O 0.13924926066565 0.76468656430923 0.60406731615110 15.999 > 13 15 O 0.86075073933435 0.76468656430923 0.14593268384890 15.999 > 15 16 O 0.86075073933435 0.76468656430923 0.64593268384890 15.999 > 15 17 O 0.60812292806588 0.57620470587554 0.06390442234578 15.999 > 17 18 O 0.60812292806588 0.57620470587554 0.56390442234578 15.999 > 17 19 O 0.39187707193412 0.57620470587554 0.18609557765422 15.999 > 19 20 O 0.39187707193412 0.57620470587554 0.68609557765422 15.999 > 19 21 O 0.39187707193412 0.42379529412446 0.43609557765422 15.999 > 21 22 O 0.39187707193412 0.42379529412446 0.93609557765422 15.999 > 21 23 O 0.60812292806588 0.42379529412446 0.31390442234578 15.999 > 23 24 O 0.60812292806588 0.42379529412446 0.81390442234578 15.999 > 23 25 O 0.35387999209707 0.99310803580726 0.25232748927786 15.999 > 1 26 O 0.35387999209707 0.99310803580726 0.75232748927786 15.999 > 1 27 O 0.64612000790293 0.99310803580726 0.49767251072214 15.999 > 3 28 O 0.64612000790293 0.99310803580726 0.99767251072214 15.999 > 3 29 O 0.64612000790293 0.00689196419274 0.24767251072214 15.999 > 5 30 O 0.64612000790293 0.00689196419274 0.74767251072214 15.999 > 5 31 O 0.35387999209707 0.00689196419274 0.00232748927786 15.999 > 7 32 O 0.35387999209707 0.00689196419274 0.50232748927786 15.999 > 7 33 O 0.36075073933435 0.73531343569077 0.39593268384890 15.999 > 9 34 O 0.36075073933435 0.73531343569077 0.89593268384890 15.999 > 9 35 O 0.63924926066565 0.73531343569077 0.35406731615110 15.999 > 11 36 O 0.63924926066565 0.73531343569077 0.85406731615110 15.999 > 11 37 O 0.63924926066565 0.26468656430923 0.10406731615110 15.999 > 13 38 O 0.63924926066565 0.26468656430923 0.60406731615110 15.999 > 13 39 O 0.36075073933435 0.26468656430923 0.14593268384890 15.999 > 15 40 O 0.36075073933435 0.26468656430923 0.64593268384890 15.999 > 15 41 O 0.10812292806588 0.07620470587554 0.06390442234578 15.999 > 17 42 O 0.10812292806588 0.07620470587554 0.56390442234578 15.999 > 17 43 O 0.89187707193412 0.07620470587554 0.18609557765422 15.999 > 19 44 O 0.89187707193412 0.07620470587554 0.68609557765422 15.999 > 19 45 O 0.89187707193412 0.92379529412446 0.43609557765422 15.999 > 21 46 O 0.89187707193412 0.92379529412446 0.93609557765422 15.999 > 21 47 O 0.10812292806588 0.92379529412446 0.31390442234578 15.999 > 23 48 O 0.10812292806588 0.92379529412446 0.81390442234578 15.999 > 23 49 Na 0.00000000000000 0.30083335168217 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.30083335168217 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.69916664831783 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.69916664831783 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.80083335168217 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.80083335168217 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.19916664831783 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.19916664831783 0.87500000000000 22.990 > 51 57 Al 0.00000000000000 0.90692715691954 0.12500000000000 26.982 > 57 58 Al 0.00000000000000 0.90692715691954 0.62500000000000 26.982 > 57 59 Al 0.00000000000000 0.09307284308046 0.37500000000000 26.982 > 59 60 Al 0.00000000000000 0.09307284308046 0.87500000000000 26.982 > 59 61 Al 0.50000000000000 0.40692715691954 0.12500000000000 26.982 > 57 62 Al 0.50000000000000 0.40692715691954 0.62500000000000 26.982 > 57 63 Al 0.50000000000000 0.59307284308046 0.37500000000000 26.982 > 59 64 Al 0.50000000000000 0.59307284308046 0.87500000000000 26.982 > 59 65 Si 0.78999375233647 0.59406763472745 0.11269540453408 28.085 > 65 66 Si 0.78999375233647 0.59406763472745 0.61269540453408 28.085 > 65 67 Si 0.21000624766353 0.59406763472745 0.13730459546592 28.085 > 67 68 Si 0.21000624766353 0.59406763472745 0.63730459546592 28.085 > 67 69 Si 0.21000624766353 0.40593236527255 0.38730459546592 28.085 > 69 70 Si 0.21000624766353 0.40593236527255 0.88730459546592 28.085 > 69 71 Si 0.78999375233647 0.40593236527255 0.36269540453408 28.085 > 71 72 Si 0.78999375233647 0.40593236527255 0.86269540453408 28.085 > 71 73 Si 0.28999375233647 0.09406763472745 0.11269540453408 28.085 > 65 74 Si 0.28999375233647 0.09406763472745 0.61269540453408 28.085 > 65 75 Si 0.71000624766353 0.09406763472745 0.13730459546592 28.085 > 67 76 Si 0.71000624766353 0.09406763472745 0.63730459546592 28.085 > 67 77 Si 0.71000624766353 0.90593236527255 0.38730459546592 28.085 > 69 78 Si 0.71000624766353 0.90593236527255 0.88730459546592 28.085 > 69 79 Si 0.28999375233647 0.90593236527255 0.36269540453408 28.085 > 71 80 Si 0.28999375233647 0.90593236527255 0.86269540453408 28.085 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8739622 0.0000000 0.0145739 0.0000000 2.8964986 0.0000000 0.0145737 0.0000000 2.9271251 -------------------------- Born effective charges -------------------------- 1 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 2 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 3 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 4 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 5 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 6 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 7 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 8 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 9 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 10 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 11 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 12 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 13 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 14 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 15 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 16 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 17 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 18 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 19 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 20 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (yyy) 0.00000009 (yyy) 0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zx) 0.00000007 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:17:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:17:53]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.734133915017932 -4.294710820000000 0.000000000000000 b 4.734133915017932 4.294710820000000 0.000000000000000 c -1.586185556704496 0.000000000000000 4.998162154278931 Atomic positions (fractional): 1 O 0.36077195628981 0.34698802790432 0.50465497855571 15.999 2 O 0.65301197209568 0.63922804371019 0.99534502144429 15.999 3 O 0.63922804371019 0.65301197209568 0.49534502144429 15.999 4 O 0.34698802790432 0.36077195628981 0.00465497855571 15.999 5 O 0.62543730364358 0.09606417502512 0.79186536769781 15.999 6 O 0.90393582497488 0.37456269635642 0.70813463230219 15.999 7 O 0.37456269635642 0.90393582497488 0.20813463230219 15.999 8 O 0.09606417502512 0.62543730364358 0.29186536769781 15.999 9 O 0.03191822219034 0.18432763394142 0.12780884469156 15.999 10 O 0.81567236605858 0.96808177780966 0.37219115530844 15.999 11 O 0.96808177780966 0.81567236605858 0.87219115530844 15.999 12 O 0.18432763394142 0.03191822219034 0.62780884469156 15.999 13 Na 0.69916664831783 0.30083335168217 0.25000000000000 22.990 14 Na 0.30083335168217 0.69916664831783 0.75000000000000 22.990 15 Al 0.09307284308046 0.90692715691954 0.25000000000000 26.982 16 Al 0.90692715691954 0.09307284308046 0.75000000000000 26.982 17 Si 0.19592611760903 0.38406138706392 0.22539080906817 28.085 18 Si 0.61593861293608 0.80407388239097 0.27460919093183 28.085 19 Si 0.80407388239097 0.61593861293608 0.77460919093183 28.085 20 Si 0.38406138706392 0.19592611760903 0.72539080906817 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.468267830035863 0.000000000000000 0.000000000000000 b 0.000000000000000 8.589421639999999 0.000000000000000 c -3.172371113408992 0.000000000000000 9.996324308557861 Atomic positions (fractional): 1 O 0.85387999209707 0.49310803580726 0.25232748927786 15.999 > 1 2 O 0.85387999209707 0.49310803580726 0.75232748927786 15.999 > 1 3 O 0.14612000790293 0.49310803580726 0.49767251072214 15.999 > 3 4 O 0.14612000790293 0.49310803580726 0.99767251072214 15.999 > 3 5 O 0.14612000790293 0.50689196419274 0.24767251072214 15.999 > 5 6 O 0.14612000790293 0.50689196419274 0.74767251072214 15.999 > 5 7 O 0.85387999209707 0.50689196419274 0.00232748927786 15.999 > 7 8 O 0.85387999209707 0.50689196419274 0.50232748927786 15.999 > 7 9 O 0.86075073933435 0.23531343569077 0.39593268384890 15.999 > 9 10 O 0.86075073933435 0.23531343569077 0.89593268384890 15.999 > 9 11 O 0.13924926066565 0.23531343569077 0.35406731615110 15.999 > 11 12 O 0.13924926066565 0.23531343569077 0.85406731615110 15.999 > 11 13 O 0.13924926066565 0.76468656430923 0.10406731615110 15.999 > 13 14 O 0.13924926066565 0.76468656430923 0.60406731615110 15.999 > 13 15 O 0.86075073933435 0.76468656430923 0.14593268384890 15.999 > 15 16 O 0.86075073933435 0.76468656430923 0.64593268384890 15.999 > 15 17 O 0.60812292806588 0.57620470587554 0.06390442234578 15.999 > 17 18 O 0.60812292806588 0.57620470587554 0.56390442234578 15.999 > 17 19 O 0.39187707193412 0.57620470587554 0.18609557765422 15.999 > 19 20 O 0.39187707193412 0.57620470587554 0.68609557765422 15.999 > 19 21 O 0.39187707193412 0.42379529412446 0.43609557765422 15.999 > 21 22 O 0.39187707193412 0.42379529412446 0.93609557765422 15.999 > 21 23 O 0.60812292806588 0.42379529412446 0.31390442234578 15.999 > 23 24 O 0.60812292806588 0.42379529412446 0.81390442234578 15.999 > 23 25 O 0.35387999209707 0.99310803580726 0.25232748927786 15.999 > 1 26 O 0.35387999209707 0.99310803580726 0.75232748927786 15.999 > 1 27 O 0.64612000790293 0.99310803580726 0.49767251072214 15.999 > 3 28 O 0.64612000790293 0.99310803580726 0.99767251072214 15.999 > 3 29 O 0.64612000790293 0.00689196419274 0.24767251072214 15.999 > 5 30 O 0.64612000790293 0.00689196419274 0.74767251072214 15.999 > 5 31 O 0.35387999209707 0.00689196419274 0.00232748927786 15.999 > 7 32 O 0.35387999209707 0.00689196419274 0.50232748927786 15.999 > 7 33 O 0.36075073933435 0.73531343569077 0.39593268384890 15.999 > 9 34 O 0.36075073933435 0.73531343569077 0.89593268384890 15.999 > 9 35 O 0.63924926066565 0.73531343569077 0.35406731615110 15.999 > 11 36 O 0.63924926066565 0.73531343569077 0.85406731615110 15.999 > 11 37 O 0.63924926066565 0.26468656430923 0.10406731615110 15.999 > 13 38 O 0.63924926066565 0.26468656430923 0.60406731615110 15.999 > 13 39 O 0.36075073933435 0.26468656430923 0.14593268384890 15.999 > 15 40 O 0.36075073933435 0.26468656430923 0.64593268384890 15.999 > 15 41 O 0.10812292806588 0.07620470587554 0.06390442234578 15.999 > 17 42 O 0.10812292806588 0.07620470587554 0.56390442234578 15.999 > 17 43 O 0.89187707193412 0.07620470587554 0.18609557765422 15.999 > 19 44 O 0.89187707193412 0.07620470587554 0.68609557765422 15.999 > 19 45 O 0.89187707193412 0.92379529412446 0.43609557765422 15.999 > 21 46 O 0.89187707193412 0.92379529412446 0.93609557765422 15.999 > 21 47 O 0.10812292806588 0.92379529412446 0.31390442234578 15.999 > 23 48 O 0.10812292806588 0.92379529412446 0.81390442234578 15.999 > 23 49 Na 0.00000000000000 0.30083335168217 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.30083335168217 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.69916664831783 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.69916664831783 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.80083335168217 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.80083335168217 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.19916664831783 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.19916664831783 0.87500000000000 22.990 > 51 57 Al 0.00000000000000 0.90692715691954 0.12500000000000 26.982 > 57 58 Al 0.00000000000000 0.90692715691954 0.62500000000000 26.982 > 57 59 Al 0.00000000000000 0.09307284308046 0.37500000000000 26.982 > 59 60 Al 0.00000000000000 0.09307284308046 0.87500000000000 26.982 > 59 61 Al 0.50000000000000 0.40692715691954 0.12500000000000 26.982 > 57 62 Al 0.50000000000000 0.40692715691954 0.62500000000000 26.982 > 57 63 Al 0.50000000000000 0.59307284308046 0.37500000000000 26.982 > 59 64 Al 0.50000000000000 0.59307284308046 0.87500000000000 26.982 > 59 65 Si 0.78999375233647 0.59406763472745 0.11269540453408 28.085 > 65 66 Si 0.78999375233647 0.59406763472745 0.61269540453408 28.085 > 65 67 Si 0.21000624766353 0.59406763472745 0.13730459546592 28.085 > 67 68 Si 0.21000624766353 0.59406763472745 0.63730459546592 28.085 > 67 69 Si 0.21000624766353 0.40593236527255 0.38730459546592 28.085 > 69 70 Si 0.21000624766353 0.40593236527255 0.88730459546592 28.085 > 69 71 Si 0.78999375233647 0.40593236527255 0.36269540453408 28.085 > 71 72 Si 0.78999375233647 0.40593236527255 0.86269540453408 28.085 > 71 73 Si 0.28999375233647 0.09406763472745 0.11269540453408 28.085 > 65 74 Si 0.28999375233647 0.09406763472745 0.61269540453408 28.085 > 65 75 Si 0.71000624766353 0.09406763472745 0.13730459546592 28.085 > 67 76 Si 0.71000624766353 0.09406763472745 0.63730459546592 28.085 > 67 77 Si 0.71000624766353 0.90593236527255 0.38730459546592 28.085 > 69 78 Si 0.71000624766353 0.90593236527255 0.88730459546592 28.085 > 69 79 Si 0.28999375233647 0.90593236527255 0.36269540453408 28.085 > 71 80 Si 0.28999375233647 0.90593236527255 0.86269540453408 28.085 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8739622 0.0000000 0.0145739 0.0000000 2.8964986 0.0000000 0.0145737 0.0000000 2.9271251 -------------------------- Born effective charges -------------------------- 1 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 2 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 3 O -1.4407778 -0.2279371 0.2788082 -0.2194768 -1.6469245 0.6219202 0.2616335 0.7023677 -2.2483684 4 O -1.4407778 0.2279371 0.2788082 0.2194768 -1.6469245 -0.6219202 0.2616335 -0.7023677 -2.2483684 5 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 6 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 7 O -1.6529412 0.5405444 -0.0477662 0.5210631 -2.2230286 0.0450810 -0.0698570 0.0566906 -1.4523442 8 O -1.6529412 -0.5405444 -0.0477662 -0.5210631 -2.2230286 -0.0450810 -0.0698570 -0.0566906 -1.4523442 9 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 10 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 11 O -2.1037689 -0.3431293 -0.2142612 -0.2223599 -1.5121757 0.2081067 -0.1757843 0.1513363 -1.8205044 12 O -2.1037689 0.3431293 -0.2142612 0.2223599 -1.5121757 -0.2081067 -0.1757843 -0.1513363 -1.8205044 13 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 14 Na 1.1271071 0.0000000 0.0099118 0.0000000 1.0803100 0.0000000 0.0019399 0.0000000 1.1098993 15 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 16 Al 3.3032077 0.0000000 0.0884434 0.0000000 3.1099052 0.0000000 0.1014129 0.0000000 2.9462162 17 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 18 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 19 Si 2.9823307 0.3686447 -0.0659584 0.1410270 3.2870212 -0.0633747 -0.0676686 -0.0762998 3.4931593 20 Si 2.9823307 -0.3686447 -0.0659584 -0.1410270 3.2870212 0.0633747 -0.0676686 0.0762998 3.4931593 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (yyy) 0.00000009 (yyy) 0.00000009 (yyy) 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 ... [ 8 8 10 ] 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: 0.71, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 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 3.738 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 12.859 ( 0.000 0.000 0.000) 0.000 14.088 ( 0.000 0.000 0.000) 0.000 14.119 ( 0.000 0.000 0.000) 0.000 15.008 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 16.142 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.247 ( 0.000 0.000 0.000) 0.000 19.165 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 21.840 ( 0.000 0.000 0.000) 0.000 22.665 ( 0.000 0.000 0.000) 0.000 25.014 ( 0.000 0.000 0.000) 0.000 25.758 ( 0.000 0.000 0.000) 0.000 25.954 ( 0.000 0.000 0.000) 0.000 28.993 ( 0.000 0.000 0.000) 0.000 29.158 ( 0.000 0.000 0.000) 0.000 29.169 ( 0.000 0.000 0.000) 0.000 30.305 ( 0.000 0.000 0.000) 0.000 30.518 ( 0.000 0.000 0.000) 0.000 30.586 ( 0.000 0.000 0.000) 0.000 30.899 ( 0.000 0.000 0.000) 0.000 31.442 ( 0.000 0.000 0.000) 0.000 31.797 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 25.458 -37.303 13.080) 47.018 1.082 ( 32.612 -38.232 18.063) 53.400 1.776 ( 52.380 -64.172 21.927) 85.688 3.730 ( 4.151 4.196 0.974) 5.982 3.954 ( -6.664 2.231 -4.818) 8.521 4.315 ( 14.027 4.023 -2.751) 14.849 4.890 ( -0.597 2.897 -6.189) 6.859 5.438 ( -7.743 -9.123 -6.146) 13.452 5.631 ( 3.511 -8.494 0.420) 9.201 5.997 ( 1.437 -2.789 1.961) 3.700 6.298 ( -6.609 -1.423 -2.918) 7.363 7.057 ( -2.452 8.059 -5.362) 9.986 7.154 ( -0.530 -0.357 -4.625) 4.668 7.289 ( -7.281 -3.619 8.990) 12.122 7.610 ( 7.139 -0.629 4.224) 8.319 8.407 ( -6.054 -6.836 -10.240) 13.720 8.603 ( -1.509 -5.985 9.309) 11.170 8.669 ( -3.860 23.556 -4.583) 24.307 8.854 ( 2.155 11.057 4.699) 12.206 9.351 ( -16.931 -1.990 2.802) 17.276 9.474 ( -11.536 2.060 8.382) 14.407 9.843 ( 10.648 -9.989 -14.812) 20.798 9.937 ( 15.584 -1.867 -8.002) 17.617 10.282 ( 27.811 35.037 2.689) 44.814 10.470 ( 4.031 9.295 6.881) 12.247 10.613 ( -2.648 6.842 -0.102) 7.337 11.052 ( 7.488 -0.286 -10.998) 13.308 11.265 ( 8.694 -4.451 5.045) 10.993 11.430 ( 5.272 -15.965 -1.687) 16.897 11.745 ( -1.312 -5.571 0.101) 5.724 12.202 ( -0.772 -2.829 2.501) 3.854 12.523 ( -7.660 4.022 -1.647) 8.807 12.825 ( -1.074 -8.280 -7.780) 11.412 13.138 ( 5.093 19.103 44.332) 48.541 14.138 ( -0.188 -3.174 -0.941) 3.315 14.790 ( -10.836 -2.773 -12.333) 16.650 14.988 ( -4.547 6.201 -1.681) 7.871 15.184 ( -21.324 -11.120 -19.767) 31.130 15.598 ( -15.345 -13.342 32.141) 38.033 16.148 ( -0.249 -1.047 -2.206) 2.454 16.629 ( -5.165 -3.625 -1.609) 6.512 16.724 ( -21.677 -13.689 -0.918) 25.654 16.948 ( 4.135 9.437 -1.430) 10.402 18.353 ( -10.310 -10.638 -18.415) 23.634 19.233 ( 3.349 0.186 -11.006) 11.505 20.265 ( 12.887 0.591 6.022) 14.237 21.902 ( -0.488 -4.374 -1.324) 4.596 22.645 ( -1.429 1.315 -0.237) 1.956 25.036 ( -7.551 -4.695 -1.365) 8.996 26.025 ( 5.014 -3.447 2.617) 6.624 27.065 ( 82.935 83.163 51.348) 128.183 28.901 ( -10.366 -0.307 -10.850) 15.009 29.170 ( -0.728 -0.733 0.561) 1.176 29.190 ( 8.195 2.705 -13.426) 15.960 30.248 ( -6.334 1.178 -3.548) 7.355 30.406 ( -8.365 1.980 -1.850) 8.793 30.878 ( 0.947 -10.732 -4.077) 11.519 31.168 ( 16.866 10.919 9.730) 22.324 31.815 ( 2.950 -0.010 -0.390) 2.976 33.843 ( -65.506 -61.788 -16.717) 91.588 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 24.651 -28.483 12.873) 39.808 2.103 ( 31.411 -33.299 15.649) 48.377 3.356 ( 37.034 -56.127 15.302) 68.964 3.756 ( -1.791 1.164 -2.067) 2.973 3.799 ( -0.853 0.761 -1.103) 1.589 4.454 ( 11.062 -1.412 1.027) 11.199 4.836 ( -3.161 -0.759 -2.361) 4.017 5.405 ( -9.641 -8.940 -11.469) 17.447 5.738 ( -0.769 1.800 -1.628) 2.546 6.055 ( -4.081 -8.733 -2.286) 9.907 6.312 ( 2.157 -5.668 2.641) 6.615 6.814 ( -3.864 12.038 -5.263) 13.695 7.202 ( 2.444 -3.819 -4.349) 6.283 7.279 ( -0.005 2.237 6.086) 6.484 7.667 ( 4.081 9.229 10.188) 14.339 8.239 ( 4.570 21.785 -7.836) 23.598 8.343 ( -10.084 1.686 -8.424) 13.248 8.667 ( -5.569 -1.737 6.722) 8.900 8.771 ( 0.703 3.083 -2.505) 4.035 9.148 ( -14.506 0.648 -1.814) 14.634 9.382 ( -7.035 -2.692 9.674) 12.261 9.870 ( 5.322 10.059 -5.569) 12.670 10.161 ( 6.867 0.562 -11.277) 13.215 10.181 ( 20.967 24.391 12.313) 34.440 10.427 ( 2.290 3.358 -6.428) 7.605 10.539 ( -0.009 -10.064 -0.555) 10.080 11.102 ( 0.512 -1.060 -3.867) 4.043 11.506 ( 4.736 -8.922 7.702) 12.702 11.665 ( 7.609 -6.987 -12.112) 15.919 11.887 ( 0.825 -13.126 6.025) 14.466 12.258 ( -1.470 -3.822 3.997) 5.722 12.418 ( -1.429 0.031 3.542) 3.820 12.850 ( -2.944 -2.407 -4.141) 5.622 13.102 ( 3.947 12.887 22.901) 26.572 14.191 ( -0.837 -4.698 -1.455) 4.989 14.490 ( -8.922 10.312 -29.870) 32.835 14.807 ( -12.814 1.576 5.607) 14.076 15.066 ( -6.102 -0.325 -0.503) 6.131 15.699 ( -4.688 -2.779 22.478) 23.130 16.139 ( 0.664 1.339 0.039) 1.495 16.557 ( -9.110 -0.885 -1.656) 9.301 16.657 ( -3.255 -0.802 -5.141) 6.137 16.829 ( -0.091 8.634 -0.160) 8.635 18.285 ( -14.022 -11.576 -12.376) 21.995 19.224 ( -1.016 -1.564 -5.509) 5.816 20.490 ( 14.610 -0.964 6.889) 16.182 21.971 ( 2.334 -3.831 -1.204) 4.645 22.592 ( -2.426 2.151 -0.051) 3.242 25.003 ( -5.147 -2.938 0.389) 5.939 26.172 ( 5.853 -4.010 3.159) 7.767 27.215 ( 47.680 37.034 25.970) 65.721 28.655 ( -20.142 -1.405 -13.521) 24.300 29.178 ( -1.069 -1.615 0.873) 2.124 29.203 ( 3.469 1.509 -3.033) 4.849 30.089 ( -8.893 2.537 -5.456) 10.737 30.294 ( -3.968 1.861 0.074) 4.383 31.028 ( 0.962 -9.831 -3.370) 10.437 31.269 ( 13.355 8.919 7.737) 17.826 31.875 ( 5.029 -1.262 -0.765) 5.241 33.794 ( -29.013 -24.328 -6.946) 38.495 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 20.724 -14.357 10.537) 27.324 2.971 ( 26.286 -23.754 11.104) 37.128 3.521 ( -12.710 3.418 -7.951) 15.377 3.923 ( 1.992 -5.209 7.202) 9.109 4.406 ( 7.968 -34.523 -5.947) 35.926 4.643 ( 6.127 2.511 -3.101) 7.312 4.908 ( 8.916 -17.630 14.581) 24.555 5.297 ( -13.050 4.414 -7.155) 15.523 5.613 ( 1.936 7.303 -1.801) 7.767 6.114 ( 1.372 -0.959 -8.537) 8.700 6.391 ( 0.251 3.077 2.435) 3.932 6.712 ( 1.896 -5.982 3.189) 7.039 7.161 ( -4.911 1.079 -4.565) 6.791 7.386 ( 7.350 -2.191 5.223) 9.279 7.540 ( -3.438 8.599 7.980) 12.225 8.073 ( 9.842 14.501 -4.870) 18.190 8.120 ( -8.123 5.048 -6.570) 11.603 8.623 ( -3.441 0.474 -0.639) 3.531 8.688 ( -5.159 2.126 -1.993) 5.925 8.960 ( -10.515 0.448 -2.413) 10.798 9.434 ( -1.437 -5.279 5.439) 7.715 9.741 ( 0.993 9.502 0.656) 9.576 10.076 ( -2.378 8.813 -0.029) 9.128 10.091 ( 10.035 13.171 1.948) 16.673 10.540 ( 14.512 -2.901 -11.322) 18.633 10.750 ( 0.243 -9.262 5.149) 10.600 11.077 ( -4.526 -4.983 -4.977) 8.372 11.633 ( -1.943 -2.661 3.770) 5.007 11.798 ( 6.826 -3.980 -3.417) 8.609 12.095 ( 0.696 -9.810 0.156) 9.836 12.241 ( -5.892 0.771 1.284) 6.080 12.574 ( 6.498 -8.891 11.101) 15.636 12.802 ( -0.810 2.137 -2.725) 3.557 13.074 ( 5.333 9.199 10.817) 15.168 14.057 ( -8.104 8.385 -17.741) 21.231 14.293 ( -0.624 -3.039 -5.138) 6.002 14.652 ( -9.571 1.070 3.939) 10.405 14.993 ( -2.770 2.505 1.842) 4.164 15.730 ( -2.965 0.517 9.027) 9.516 16.170 ( 6.392 1.496 6.344) 9.130 16.451 ( -4.753 3.041 2.303) 6.095 16.547 ( -7.058 -0.526 -15.288) 16.847 16.755 ( 0.081 2.560 3.798) 4.581 18.229 ( -7.980 -6.324 -6.302) 11.975 19.210 ( -1.084 -0.801 -2.394) 2.748 20.691 ( 8.580 -1.251 4.164) 9.618 22.051 ( 2.538 -2.791 -1.172) 3.950 22.528 ( -2.250 1.912 0.334) 2.972 24.991 ( -2.625 -1.928 0.723) 3.336 26.296 ( 3.569 -2.413 1.956) 4.731 27.452 ( 34.583 18.426 16.897) 42.673 28.328 ( -24.338 -3.234 -12.917) 27.742 29.195 ( -1.120 -2.151 0.415) 2.460 29.211 ( 2.102 1.531 -0.328) 2.621 29.935 ( -5.262 2.211 -3.635) 6.767 30.237 ( -1.824 0.983 0.169) 2.079 31.152 ( -1.619 -9.722 -4.087) 10.670 31.310 ( 9.011 9.632 6.458) 14.686 31.962 ( 4.260 -1.730 -0.588) 4.635 33.737 ( -13.110 -9.434 -2.910) 16.412 ======================= Grid point 4 (5/186) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 0.000 -0.000 0.000) 0.000 3.344 ( 0.000 0.000 -0.000) 0.000 3.420 ( -0.000 -0.000 0.000) 0.000 3.955 ( 0.000 -0.000 0.000) 0.000 4.595 ( 0.000 -0.000 0.000) 0.000 4.845 ( -0.000 0.000 0.000) 0.000 4.918 ( 0.000 -0.000 -0.000) 0.000 5.412 ( 0.000 -0.000 0.000) 0.000 5.436 ( -0.000 0.000 -0.000) 0.000 6.092 ( 0.000 -0.000 0.000) 0.000 6.361 ( 0.000 -0.000 0.000) 0.000 6.850 ( 0.000 -0.000 0.000) 0.000 7.095 ( 0.000 -0.000 0.000) 0.000 7.444 ( 0.000 -0.000 0.000) 0.000 7.510 ( 0.000 -0.000 -0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.011 ( -0.000 -0.000 -0.000) 0.000 8.576 ( 0.000 -0.000 0.000) 0.000 8.634 ( 0.000 -0.000 0.000) 0.000 8.874 ( 0.000 -0.000 0.000) 0.000 9.482 ( 0.000 -0.000 0.000) 0.000 9.675 ( 0.000 -0.000 0.000) 0.000 9.985 ( -0.000 -0.000 -0.000) 0.000 10.068 ( 0.000 -0.000 0.000) 0.000 10.684 ( 0.000 -0.000 -0.000) 0.000 10.765 ( -0.000 -0.000 0.000) 0.000 11.112 ( 0.000 -0.000 0.000) 0.000 11.629 ( 0.000 -0.000 0.000) 0.000 11.892 ( 0.000 -0.000 0.000) 0.000 12.154 ( -0.000 0.000 0.000) 0.000 12.184 ( 0.000 -0.000 -0.000) 0.000 12.735 ( -0.000 -0.000 0.000) 0.000 12.793 ( 0.000 -0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 -0.000 0.000) 0.000 14.299 ( 0.000 -0.000 0.000) 0.000 14.591 ( 0.000 -0.000 0.000) 0.000 14.955 ( 0.000 -0.000 0.000) 0.000 15.717 ( 0.000 -0.000 0.000) 0.000 16.297 ( 0.000 -0.000 0.000) 0.000 16.323 ( -0.000 -0.000 -0.000) 0.000 16.468 ( 0.000 -0.000 0.000) 0.000 16.750 ( 0.000 -0.000 -0.000) 0.000 18.209 ( 0.000 -0.000 0.000) 0.000 19.203 ( 0.000 -0.000 0.000) 0.000 20.768 ( 0.000 -0.000 0.000) 0.000 22.089 ( 0.000 -0.000 0.000) 0.000 22.497 ( 0.000 -0.000 0.000) 0.000 24.990 ( 0.000 -0.000 0.000) 0.000 26.342 ( 0.000 -0.000 0.000) 0.000 27.635 ( 0.000 -0.000 0.000) 0.000 28.109 ( 0.000 -0.000 0.000) 0.000 29.209 ( -0.000 -0.000 -0.000) 0.000 29.209 ( 0.000 0.000 0.000) 0.000 29.874 ( 0.000 -0.000 0.000) 0.000 30.218 ( 0.000 -0.000 0.000) 0.000 31.214 ( 0.000 0.000 0.000) 0.000 31.302 ( -0.000 -0.000 -0.000) 0.000 32.006 ( 0.000 -0.000 0.000) 0.000 33.711 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/186) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 39.400 0.000 21.833) 45.046 1.362 ( 42.035 0.000 24.001) 48.405 2.420 ( 75.146 0.000 31.342) 81.420 3.837 ( -10.294 -0.000 -7.779) 12.903 3.851 ( 7.473 0.000 1.396) 7.602 4.455 ( 5.620 0.000 -1.422) 5.797 4.844 ( -2.623 -0.000 -12.035) 12.318 5.239 ( -10.501 -0.000 -3.604) 11.103 5.606 ( 5.351 0.000 -5.534) 7.698 6.019 ( 2.354 0.000 3.323) 4.072 6.150 ( -7.936 -0.000 -5.219) 9.499 7.031 ( -2.353 -0.000 -5.138) 5.652 7.142 ( 0.499 0.000 -4.093) 4.124 7.269 ( 3.783 0.000 9.578) 10.298 7.862 ( 18.364 0.000 7.540) 19.852 8.197 ( -9.947 -0.000 -10.577) 14.519 8.551 ( -4.523 -0.000 6.532) 7.945 8.737 ( -5.480 -0.000 0.116) 5.481 8.975 ( -25.450 -0.000 5.939) 26.134 9.103 ( 2.463 0.000 4.341) 4.991 9.467 ( -3.572 -0.000 7.341) 8.164 9.760 ( 10.171 0.000 -25.976) 27.897 10.069 ( 11.733 0.000 -6.865) 13.594 10.505 ( 2.181 0.000 5.367) 5.793 10.532 ( -7.987 -0.000 -5.482) 9.687 11.079 ( 4.811 0.000 -17.943) 18.576 11.186 ( 7.664 0.000 17.743) 19.328 11.231 ( 2.688 0.000 -3.663) 4.543 11.449 ( 22.578 0.000 -12.829) 25.968 11.676 ( -1.540 -0.000 -1.129) 1.909 12.182 ( -1.382 -0.000 5.784) 5.947 12.523 ( -0.854 -0.000 -4.845) 4.919 12.615 ( -10.525 -0.000 13.049) 16.764 13.738 ( -18.890 -0.000 74.104) 76.474 13.945 ( -5.527 -0.000 -14.510) 15.527 14.303 ( 13.514 0.000 -38.485) 40.789 14.827 ( -13.832 -0.000 5.453) 14.868 15.057 ( -1.139 -0.000 3.883) 4.047 15.463 ( 0.702 0.000 2.270) 2.376 16.061 ( -3.635 -0.000 -1.162) 3.816 16.562 ( -6.107 -0.000 0.376) 6.118 16.631 ( 3.219 0.000 5.927) 6.745 17.193 ( 13.642 0.000 0.397) 13.648 17.791 ( -33.102 -0.000 -15.989) 36.761 19.347 ( 11.296 0.000 -11.349) 16.013 20.525 ( 15.872 0.000 8.395) 17.956 21.889 ( 3.033 0.000 1.188) 3.258 22.625 ( -2.610 -0.000 -0.843) 2.743 24.944 ( -3.606 -0.000 1.108) 3.773 26.107 ( 7.850 0.000 5.005) 9.310 28.474 ( -16.307 -0.000 64.915) 66.932 28.632 ( -21.443 -0.000 -13.125) 25.141 29.160 ( 0.141 0.000 -1.836) 1.841 29.364 ( 21.352 0.000 -62.790) 66.321 30.085 ( -11.707 -0.000 -3.103) 12.111 30.431 ( -5.305 -0.000 0.723) 5.354 30.610 ( 0.796 0.000 -5.985) 6.038 31.428 ( -0.271 -0.000 0.096) 0.288 31.954 ( 8.992 0.000 4.073) 9.871 32.748 ( 12.999 0.000 13.753) 18.924 ======================= Grid point 11 (7/186) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 34.684 -15.263 16.935) 41.506 2.207 ( 35.059 -25.088 21.651) 48.243 3.522 ( 46.513 -13.925 20.217) 52.593 3.632 ( -11.528 2.819 -8.386) 14.532 3.936 ( 9.236 3.553 2.061) 10.108 4.579 ( 12.633 -3.390 5.433) 14.163 4.790 ( 0.277 0.540 -5.610) 5.643 5.126 ( -9.447 -7.504 -7.508) 14.210 5.713 ( 5.290 -5.746 -5.341) 9.462 5.945 ( -2.621 4.398 -1.689) 5.391 6.220 ( 2.083 -11.664 1.878) 11.997 6.923 ( -1.281 9.643 -4.978) 10.927 7.128 ( -1.882 -1.006 -5.562) 5.957 7.367 ( 5.496 -0.355 4.855) 7.342 7.909 ( -3.284 10.665 2.379) 11.410 8.163 ( 0.657 -3.500 -1.462) 3.850 8.421 ( -13.255 3.041 -3.361) 14.009 8.615 ( -1.242 5.336 3.345) 6.419 8.779 ( -7.027 -1.701 4.023) 8.274 9.077 ( -2.376 6.407 -0.836) 6.884 9.351 ( -1.631 8.591 0.741) 8.776 9.924 ( 6.962 -10.128 -16.670) 20.711 10.151 ( 2.173 0.268 -3.295) 3.956 10.386 ( -6.189 -0.969 -9.017) 10.979 10.506 ( 3.771 5.278 -0.298) 6.494 10.929 ( 8.766 25.524 7.808) 28.095 11.099 ( 1.751 -0.573 0.059) 1.844 11.500 ( 5.258 -5.703 6.443) 10.084 11.674 ( 9.799 -1.877 -12.275) 15.819 11.757 ( 7.196 -8.271 1.443) 11.058 12.216 ( -1.969 -1.926 7.834) 8.304 12.466 ( 4.091 0.594 4.781) 6.320 12.641 ( -9.158 -9.375 4.593) 13.887 13.511 ( 2.420 18.447 16.740) 25.028 14.034 ( -10.439 -11.238 1.834) 15.448 14.317 ( 1.629 1.639 -31.867) 31.951 14.660 ( -13.615 -0.389 6.076) 14.914 15.025 ( -3.584 1.711 8.333) 9.231 15.591 ( -1.175 -11.363 5.322) 12.603 16.040 ( -2.234 -3.491 -2.986) 5.108 16.462 ( -9.506 -1.286 -1.517) 9.712 16.644 ( -0.596 6.026 4.643) 7.631 17.051 ( -6.682 15.268 -2.484) 16.850 17.685 ( -10.752 -24.434 -7.597) 27.755 19.420 ( 13.958 7.957 -3.545) 16.453 20.724 ( 12.345 2.668 6.978) 14.429 21.961 ( 3.637 -2.578 0.988) 4.566 22.574 ( -3.453 0.916 -0.498) 3.607 24.928 ( -1.557 -1.620 1.613) 2.766 26.242 ( 6.877 -1.063 5.549) 8.900 28.156 ( -22.099 12.309 1.829) 25.362 28.370 ( 1.403 16.815 15.832) 23.138 29.156 ( 0.387 -0.453 -2.784) 2.847 29.302 ( 10.454 6.619 -20.670) 24.090 29.945 ( -10.308 -2.192 -4.566) 11.485 30.288 ( -3.573 4.407 0.981) 5.758 30.770 ( -4.897 -16.847 -8.364) 19.436 31.481 ( 1.855 -4.594 1.780) 5.265 31.997 ( 10.412 9.834 3.200) 14.675 33.203 ( 4.820 -22.798 5.477) 23.937 ======================= Grid point 12 (8/186) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 22.900 -12.191 10.041) 27.818 3.039 ( 16.763 -19.849 17.580) 31.369 3.451 ( 2.653 -1.092 -4.421) 5.270 3.990 ( 4.358 4.012 4.540) 7.463 4.086 ( 8.319 -15.311 -2.758) 17.642 4.730 ( -0.476 4.778 -4.516) 6.591 4.946 ( 16.725 -9.903 7.628) 20.881 5.155 ( -1.818 -3.467 -0.496) 3.946 5.744 ( 3.309 3.569 0.318) 4.877 6.058 ( 11.496 -9.493 -2.087) 15.054 6.421 ( 1.436 -4.436 2.769) 5.423 6.737 ( 1.830 6.512 -2.429) 7.187 7.048 ( -6.175 0.217 -8.056) 10.153 7.442 ( 1.379 0.462 2.099) 2.554 7.662 ( -9.532 8.361 3.192) 13.075 8.087 ( -4.001 4.670 3.682) 7.168 8.335 ( 0.546 4.285 -1.884) 4.713 8.525 ( -1.433 5.135 -2.571) 5.919 8.713 ( -0.039 5.871 -3.328) 6.749 8.936 ( -0.524 4.285 -2.871) 5.185 9.270 ( -5.924 -3.954 1.261) 7.233 9.932 ( 1.293 11.090 4.396) 11.999 10.032 ( -5.779 4.210 -12.601) 14.488 10.348 ( -0.212 4.796 -9.462) 10.610 10.564 ( 1.064 -13.191 -4.474) 13.970 10.826 ( 5.660 4.434 3.764) 8.116 11.084 ( 7.609 13.174 6.112) 16.395 11.605 ( 1.727 -2.210 2.923) 4.051 11.803 ( 7.464 -5.816 -5.836) 11.118 11.979 ( 4.479 -9.900 -0.016) 10.866 12.216 ( -2.674 0.798 7.502) 8.004 12.565 ( -6.166 -2.914 14.998) 16.475 12.762 ( 8.753 -8.193 -0.035) 11.989 13.387 ( 4.239 15.063 8.335) 17.729 13.882 ( -14.677 1.735 -19.771) 24.684 14.235 ( 3.140 -2.456 -7.919) 8.865 14.544 ( -6.642 -0.754 -1.161) 6.785 15.000 ( -3.952 0.045 9.077) 9.900 15.692 ( -2.609 -3.101 1.271) 4.247 16.104 ( -0.436 -8.900 -0.797) 8.946 16.308 ( -15.829 -3.224 -13.324) 20.940 16.513 ( -1.944 6.668 8.447) 10.936 16.867 ( -3.285 2.938 3.288) 5.499 17.884 ( -1.379 -15.501 -3.363) 15.921 19.467 ( 16.186 12.240 2.338) 20.427 20.823 ( 5.572 3.618 3.943) 7.726 22.051 ( 3.365 -2.312 0.309) 4.094 22.512 ( -3.306 0.821 0.282) 3.418 24.959 ( 1.312 -1.665 1.458) 2.573 26.344 ( 3.704 0.067 4.379) 5.736 27.669 ( -33.016 1.552 -11.220) 34.905 28.327 ( 15.988 14.481 16.034) 26.877 29.161 ( 0.273 -1.178 -2.757) 3.010 29.282 ( 5.714 3.570 -7.026) 9.735 29.849 ( -6.127 -2.189 -2.825) 7.093 30.215 ( -2.920 0.638 0.796) 3.093 30.870 ( -7.560 -13.718 -8.993) 18.062 31.568 ( 2.277 -0.685 3.864) 4.537 31.989 ( 6.153 7.395 0.332) 9.625 33.534 ( 6.680 -11.363 3.730) 13.698 ======================= Grid point 13 (9/186) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -13.545 4.285 -5.054) 15.079 3.334 ( 9.347 -4.892 14.568) 17.987 3.704 ( 11.245 19.020 -4.420) 22.533 3.965 ( 5.915 -6.592 4.614) 9.987 4.442 ( -0.526 -18.888 -3.106) 19.149 4.717 ( 8.397 -9.091 -2.098) 12.553 5.042 ( -2.626 9.281 1.684) 9.791 5.333 ( 9.377 -13.583 10.214) 19.410 5.685 ( 2.470 16.901 -5.051) 17.811 6.157 ( 1.795 9.204 -4.623) 10.455 6.403 ( 1.434 3.360 3.743) 5.231 6.767 ( -2.913 -1.885 -2.618) 4.347 7.063 ( 3.480 -9.092 -0.133) 9.736 7.408 ( -4.294 -2.251 3.590) 6.033 7.504 ( -5.570 3.143 -2.915) 7.029 8.019 ( -2.232 12.658 0.600) 12.867 8.101 ( -1.993 6.734 -0.738) 7.062 8.517 ( -0.405 -7.481 0.670) 7.522 8.678 ( 6.699 4.865 -1.684) 8.449 8.962 ( 9.199 -0.330 -0.061) 9.205 9.270 ( -10.701 -9.732 -2.282) 14.643 9.786 ( -1.297 10.239 9.202) 13.828 9.853 ( -4.325 3.366 -12.741) 13.869 10.193 ( -3.443 5.520 -5.902) 8.784 10.640 ( -7.194 -0.223 3.065) 7.823 10.949 ( 0.728 -8.746 -4.811) 10.008 11.057 ( 16.546 9.800 2.515) 19.395 11.673 ( 3.093 -0.158 5.093) 5.960 11.897 ( -0.890 1.475 -3.717) 4.097 12.139 ( 6.761 -7.269 -6.662) 11.956 12.247 ( 3.688 1.405 12.027) 12.658 12.586 ( -8.441 -7.248 12.097) 16.436 12.903 ( 3.238 4.955 -2.097) 6.280 13.134 ( -6.756 17.803 -1.741) 19.121 13.749 ( -3.243 -11.761 -6.103) 13.641 14.302 ( 3.382 -2.076 -2.988) 4.967 14.539 ( 2.113 -5.855 -5.907) 8.581 14.991 ( -1.349 1.184 8.149) 8.344 15.685 ( -1.322 -2.157 -3.113) 4.012 16.057 ( -16.405 -3.371 -13.553) 21.545 16.240 ( -0.056 -8.036 -3.566) 8.791 16.537 ( 2.310 -1.530 14.613) 14.873 16.829 ( 0.043 1.281 0.966) 1.605 18.069 ( 2.244 -10.335 0.092) 10.576 19.518 ( 18.807 14.753 6.349) 24.732 20.789 ( -2.497 5.149 -0.019) 5.723 22.100 ( 1.024 0.327 0.600) 1.231 22.482 ( -1.217 -1.022 0.355) 1.628 25.014 ( 3.613 -0.402 0.636) 3.690 26.367 ( 0.081 2.203 2.452) 3.297 27.157 ( -38.347 -3.598 -14.282) 41.078 28.474 ( 18.722 6.886 14.429) 24.620 29.170 ( -0.072 -1.324 -3.043) 3.319 29.277 ( 4.361 3.412 -3.848) 6.743 29.841 ( -0.953 -4.163 1.056) 4.400 30.195 ( -1.550 -1.533 0.507) 2.238 30.901 ( -10.885 -12.659 -9.357) 19.139 31.577 ( 4.258 8.132 5.564) 10.734 31.944 ( -1.551 2.608 -2.127) 3.706 33.785 ( 12.303 -4.614 4.133) 13.775 ======================= Grid point 14 (10/186) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -17.730 9.730 -6.237) 21.164 3.124 ( -10.627 35.226 -1.665) 36.831 3.680 ( 12.452 -2.387 3.598) 13.179 4.024 ( 1.437 11.104 -3.848) 11.840 4.475 ( -8.407 -1.134 0.793) 8.520 4.856 ( 1.774 13.599 9.687) 16.790 5.140 ( -6.271 37.567 -14.591) 40.786 5.291 ( 15.750 -19.542 1.335) 25.134 5.631 ( 5.958 -2.031 12.584) 14.071 6.073 ( -1.343 -4.871 0.743) 5.107 6.343 ( -2.891 1.616 -2.903) 4.404 6.731 ( -3.059 0.942 -5.193) 6.100 7.147 ( 1.588 -1.166 -2.796) 3.420 7.350 ( -4.463 4.504 0.784) 6.389 7.503 ( 1.633 -5.509 1.506) 5.940 7.779 ( -10.733 -2.180 -2.974) 11.349 8.207 ( 9.163 -4.838 8.982) 13.713 8.671 ( 5.863 -1.264 -5.682) 8.262 8.694 ( 1.935 -2.687 7.845) 8.515 9.152 ( 14.405 -2.051 -2.200) 14.715 9.249 ( -11.699 -11.866 -4.622) 17.293 9.684 ( -2.121 4.181 2.848) 5.485 9.730 ( -8.337 -2.605 -5.106) 10.117 10.123 ( 1.518 -2.324 -3.904) 4.790 10.482 ( -11.340 5.109 5.650) 13.661 10.952 ( 7.914 13.562 0.118) 15.703 11.189 ( 3.908 -2.215 1.283) 4.672 11.679 ( -1.642 5.025 -0.482) 5.309 11.814 ( 1.071 2.988 2.524) 4.055 12.214 ( 1.483 5.596 -2.102) 6.159 12.358 ( 9.143 2.696 3.595) 10.188 12.593 ( -9.783 10.900 -1.293) 14.703 12.697 ( -3.671 -5.909 1.221) 7.062 12.920 ( -4.490 -0.543 -8.447) 9.581 14.002 ( 4.299 -17.475 9.830) 20.505 14.338 ( 0.405 -0.079 -1.207) 1.275 14.701 ( 9.836 -7.127 -6.023) 13.558 15.017 ( 1.689 -0.598 7.947) 8.147 15.678 ( -0.222 -0.584 -15.861) 15.874 15.909 ( -12.960 -11.546 -3.831) 17.775 16.331 ( 0.187 -7.151 -3.128) 7.808 16.662 ( -0.482 -1.545 16.444) 16.524 16.859 ( 8.172 -0.673 -3.662) 8.980 18.246 ( 4.078 -6.895 3.620) 8.791 19.586 ( 21.085 16.803 8.592) 28.297 20.611 ( -9.621 6.701 -3.656) 12.282 22.074 ( -1.300 3.022 1.410) 3.579 22.513 ( 1.012 -2.935 -0.097) 3.106 25.067 ( 5.159 1.116 0.104) 5.279 26.305 ( -2.844 4.447 0.651) 5.319 26.648 ( -40.865 -7.188 -15.934) 44.447 28.703 ( 15.515 1.912 13.429) 20.608 29.170 ( -0.373 -1.037 -3.638) 3.802 29.262 ( 3.665 3.879 -3.259) 6.253 29.957 ( 4.534 -6.344 4.872) 9.195 30.224 ( 0.976 -3.076 0.262) 3.238 30.871 ( -14.726 -11.706 -9.137) 20.913 31.495 ( 5.633 14.905 4.654) 16.600 31.861 ( -7.043 -1.008 -2.321) 7.484 34.045 ( 17.553 -1.586 5.079) 18.342 ======================= Grid point 15 (11/186) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -12.207 22.032 -4.574) 25.599 2.353 ( -10.887 46.251 -5.521) 47.834 3.786 ( -3.231 12.549 -0.730) 12.979 3.882 ( 6.476 -1.458 3.140) 7.344 3.954 ( -12.799 71.845 -8.175) 73.433 4.335 ( -9.342 2.792 0.194) 9.752 4.917 ( 2.766 4.248 -0.427) 5.087 5.682 ( 2.634 0.203 7.279) 7.743 5.740 ( 11.801 -2.946 5.876) 13.508 6.169 ( -1.448 3.730 -1.418) 4.245 6.288 ( -1.617 -5.190 -0.759) 5.489 6.688 ( -2.283 -8.217 -4.969) 9.870 7.194 ( 3.839 -0.033 -1.154) 4.009 7.294 ( 0.899 -0.369 3.612) 3.740 7.534 ( -1.679 1.027 -9.337) 9.543 7.827 ( -7.824 -22.431 7.916) 25.041 8.483 ( 11.077 -5.339 9.932) 15.807 8.676 ( 1.992 0.574 -2.607) 3.331 8.770 ( -2.880 -0.780 -0.729) 3.071 9.272 ( -0.434 -12.409 -8.846) 15.246 9.391 ( 11.652 -2.772 -1.787) 12.110 9.601 ( -8.721 -3.434 -4.217) 10.278 9.709 ( -8.033 -9.798 4.978) 13.613 10.194 ( 0.632 4.849 -0.602) 4.926 10.338 ( -4.529 -6.733 5.325) 9.706 10.759 ( 0.760 19.035 -0.244) 19.052 11.214 ( 3.193 6.727 7.337) 10.454 11.510 ( -6.998 8.002 -7.704) 13.128 11.808 ( 3.913 8.605 7.476) 12.052 12.015 ( -4.935 12.207 -5.604) 14.309 12.321 ( 0.792 4.654 -3.711) 6.005 12.471 ( 4.211 2.128 1.614) 4.987 12.699 ( -9.136 -4.551 0.369) 10.213 12.988 ( 4.612 -7.871 -7.196) 11.619 14.266 ( 0.948 2.764 1.270) 3.186 14.430 ( 3.379 -18.656 9.964) 21.418 14.889 ( 7.479 -3.518 -3.276) 8.891 15.139 ( 4.536 -4.946 13.833) 15.375 15.579 ( -2.568 -3.920 -26.233) 26.648 15.993 ( -4.192 -11.708 2.180) 12.626 16.453 ( -0.029 -11.495 -1.247) 11.563 16.690 ( -1.712 0.282 5.890) 6.140 17.030 ( 13.847 -1.674 0.945) 13.980 18.385 ( 1.555 -3.094 5.767) 6.727 19.625 ( 17.159 19.247 6.985) 26.715 20.353 ( -10.028 5.937 -4.007) 12.323 22.011 ( -0.914 3.647 1.387) 4.007 22.575 ( 1.119 -3.228 -0.140) 3.419 25.128 ( 7.225 1.450 1.234) 7.471 26.144 ( -37.500 -7.187 -13.563) 40.520 26.189 ( -6.043 6.025 -3.279) 9.142 28.906 ( 8.232 -0.216 10.758) 13.548 29.161 ( -0.419 -0.680 -3.760) 3.844 29.236 ( 2.534 3.637 -2.183) 4.941 30.144 ( 4.701 -5.749 4.377) 8.621 30.333 ( 8.196 -4.052 2.354) 9.441 30.780 ( -17.261 -10.324 -8.060) 21.668 31.335 ( 2.694 16.108 1.720) 16.422 31.793 ( -5.111 -2.171 -0.829) 5.614 34.337 ( 19.219 -1.759 5.521) 20.073 ======================= Grid point 16 (12/186) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 39.379 0.000) 39.379 1.523 ( 0.000 51.967 0.000) 51.967 2.616 ( 0.000 86.464 0.000) 86.464 3.662 ( 0.000 0.808 0.000) 0.808 4.009 ( -0.000 -2.316 -0.000) 2.316 4.197 ( 0.000 3.952 0.000) 3.952 4.890 ( 0.000 1.285 0.000) 1.285 5.671 ( 0.000 5.888 0.000) 5.888 5.752 ( 0.000 13.344 0.000) 13.344 6.035 ( 0.000 5.268 0.000) 5.268 6.343 ( -0.000 -1.630 -0.000) 1.630 6.884 ( -0.000 -16.990 -0.000) 16.990 7.224 ( 0.000 0.037 0.000) 0.037 7.285 ( 0.000 4.526 0.000) 4.526 7.540 ( -0.000 -8.731 -0.000) 8.731 8.219 ( -0.000 -32.700 -0.000) 32.700 8.617 ( 0.000 5.998 0.000) 5.998 8.651 ( 0.000 3.394 0.000) 3.394 8.737 ( -0.000 -4.422 -0.000) 4.422 9.481 ( -0.000 -0.976 -0.000) 0.976 9.500 ( -0.000 -17.108 -0.000) 17.108 9.573 ( -0.000 -1.933 -0.000) 1.933 9.812 ( -0.000 -9.236 -0.000) 9.236 10.034 ( 0.000 9.834 0.000) 9.834 10.507 ( 0.000 12.508 0.000) 12.508 10.512 ( -0.000 -11.223 -0.000) 11.223 11.130 ( 0.000 11.225 0.000) 11.225 11.275 ( 0.000 8.579 0.000) 8.579 11.654 ( 0.000 16.583 0.000) 16.583 11.843 ( 0.000 6.701 0.000) 6.701 12.257 ( 0.000 4.382 0.000) 4.382 12.540 ( -0.000 -3.742 -0.000) 3.742 12.704 ( -0.000 -8.161 -0.000) 8.161 13.056 ( 0.000 1.871 0.000) 1.871 14.200 ( 0.000 4.994 0.000) 4.994 14.748 ( -0.000 -14.789 -0.000) 14.789 14.958 ( -0.000 -1.503 -0.000) 1.503 15.338 ( -0.000 -6.638 -0.000) 6.638 15.588 ( -0.000 -9.998 -0.000) 9.998 16.088 ( -0.000 -4.607 -0.000) 4.607 16.663 ( -0.000 -16.896 -0.000) 16.896 16.680 ( 0.000 1.386 0.000) 1.386 17.216 ( -0.000 -3.712 -0.000) 3.712 18.403 ( 0.000 1.477 0.000) 1.477 19.478 ( 0.000 18.401 0.000) 18.401 20.213 ( 0.000 3.327 0.000) 3.327 21.965 ( 0.000 2.613 0.000) 2.613 22.626 ( -0.000 -2.538 -0.000) 2.538 25.224 ( -0.000 -1.200 -0.000) 1.200 25.764 ( 0.000 1.060 0.000) 1.060 26.062 ( 0.000 6.399 0.000) 6.399 28.993 ( -0.000 -0.340 -0.000) 0.340 29.154 ( -0.000 -0.324 -0.000) 0.324 29.203 ( 0.000 2.551 0.000) 2.551 30.249 ( -0.000 -3.778 -0.000) 3.778 30.503 ( -0.000 -1.228 -0.000) 1.228 30.737 ( -0.000 -10.280 -0.000) 10.280 31.139 ( 0.000 12.363 0.000) 12.363 31.785 ( -0.000 -1.301 -0.000) 1.301 34.583 ( -0.000 -5.397 -0.000) 5.397 ======================= Grid point 19 (13/186) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 30.488 0.000 16.394) 34.616 2.552 ( 32.947 0.000 18.029) 37.557 3.421 ( -15.533 -0.000 -1.236) 15.582 4.025 ( 21.395 0.000 2.314) 21.519 4.092 ( 8.151 0.000 1.601) 8.306 4.716 ( 7.802 0.000 -3.272) 8.460 4.898 ( -8.325 -0.000 -5.204) 9.818 4.992 ( 29.007 0.000 18.428) 34.366 5.751 ( 11.364 0.000 -7.792) 13.779 6.025 ( 0.847 0.000 -2.124) 2.286 6.105 ( 3.489 0.000 3.859) 5.202 6.972 ( -1.176 -0.000 -4.243) 4.403 7.082 ( -1.712 -0.000 -4.148) 4.487 7.442 ( 4.342 0.000 0.420) 4.362 7.770 ( -18.396 -0.000 -5.461) 19.189 8.180 ( -15.471 -0.000 -4.845) 16.212 8.323 ( 11.046 0.000 6.453) 12.793 8.676 ( 2.257 0.000 3.747) 4.374 8.693 ( -4.211 -0.000 9.974) 10.827 9.103 ( -4.067 -0.000 -1.894) 4.486 9.537 ( 5.277 0.000 -1.951) 5.626 9.745 ( 6.701 0.000 -27.630) 28.431 10.198 ( -0.546 -0.000 2.969) 3.019 10.209 ( -9.691 -0.000 -11.205) 14.815 10.596 ( 0.544 0.000 -0.025) 0.545 10.998 ( -4.805 -0.000 -3.245) 5.798 11.225 ( -3.276 -0.000 1.208) 3.491 11.493 ( 1.771 0.000 19.219) 19.300 11.704 ( 5.918 0.000 -0.951) 5.994 12.003 ( 20.197 0.000 -5.475) 20.926 12.220 ( -2.202 -0.000 10.697) 10.922 12.481 ( 3.434 0.000 -8.231) 8.918 12.552 ( 2.906 0.000 11.186) 11.557 13.597 ( -9.814 -0.000 -16.923) 19.563 13.884 ( -1.616 -0.000 24.172) 24.226 14.332 ( 6.844 0.000 -22.344) 23.368 14.487 ( -13.536 -0.000 5.929) 14.778 15.041 ( -3.270 -0.000 4.298) 5.400 15.485 ( 0.133 0.000 -0.006) 0.134 16.007 ( 2.460 0.000 -5.546) 6.067 16.240 ( -20.072 -0.000 -3.138) 20.316 16.727 ( -2.070 -0.000 10.711) 10.909 16.810 ( -25.417 -0.000 -7.492) 26.498 17.625 ( 16.731 0.000 1.645) 16.812 19.673 ( 16.334 0.000 0.021) 16.334 20.906 ( 7.542 0.000 4.871) 8.978 22.002 ( 3.997 0.000 2.511) 4.721 22.527 ( -4.058 -0.000 -0.515) 4.090 24.928 ( 1.966 0.000 2.083) 2.864 26.345 ( 5.217 0.000 6.230) 8.126 27.694 ( -36.831 -0.000 -12.881) 39.018 28.661 ( -1.815 -0.000 29.413) 29.469 29.145 ( 0.535 0.000 -3.708) 3.746 29.421 ( 11.498 0.000 -27.028) 29.372 29.752 ( -10.455 -0.000 -2.501) 10.750 30.299 ( -5.512 -0.000 2.190) 5.932 30.496 ( -3.776 -0.000 -9.967) 10.658 31.441 ( 0.709 0.000 0.915) 1.157 32.261 ( 10.469 0.000 4.213) 11.284 33.261 ( 16.990 0.000 7.827) 18.707 ======================= Grid point 20 (14/186) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 3.774 -2.724 3.817) 6.020 3.097 ( 20.787 -10.452 12.136) 26.242 3.372 ( 5.172 -14.721 7.933) 17.504 4.102 ( 6.293 4.614 -0.728) 7.837 4.204 ( 7.682 3.319 0.616) 8.391 4.771 ( 2.203 2.004 -1.525) 3.346 4.893 ( 2.656 -9.212 -6.003) 11.311 5.350 ( 12.845 9.325 12.943) 20.481 5.817 ( 5.789 2.612 -4.877) 8.008 6.214 ( 21.566 -9.205 6.524) 24.339 6.321 ( 7.114 -10.476 4.367) 13.395 6.844 ( -2.276 7.558 -7.351) 10.786 7.002 ( -3.503 6.720 -3.168) 8.214 7.465 ( -4.255 2.610 -0.059) 4.992 7.492 ( -15.331 -3.429 -4.644) 16.382 8.060 ( -3.895 -3.350 0.388) 5.152 8.398 ( 2.447 5.960 9.532) 11.505 8.673 ( 0.148 5.742 0.671) 5.783 8.793 ( 7.860 -0.059 1.804) 8.064 8.945 ( -5.076 5.466 -2.321) 7.812 9.347 ( 4.574 17.090 -11.862) 21.300 9.893 ( -5.534 -5.898 -12.893) 15.220 10.053 ( 2.726 -0.232 -6.142) 6.724 10.240 ( -2.382 -10.493 -5.487) 12.079 10.483 ( -3.565 9.527 -4.639) 11.180 10.841 ( -11.976 6.384 8.155) 15.833 11.278 ( 2.425 -10.483 6.084) 12.361 11.625 ( -0.060 -3.783 5.951) 7.052 11.815 ( 7.139 -2.557 -1.443) 7.719 12.031 ( 6.131 10.080 -4.638) 12.678 12.256 ( 1.490 -1.470 12.699) 12.871 12.511 ( -0.805 1.248 9.478) 9.594 12.819 ( 16.524 -9.197 -1.461) 18.967 13.435 ( -8.345 -4.641 -12.139) 15.444 13.826 ( -7.798 17.312 6.751) 20.152 14.240 ( 4.143 0.762 -7.981) 9.025 14.444 ( -3.519 -4.028 -6.371) 8.318 14.956 ( -6.809 1.642 3.766) 7.953 15.583 ( -0.914 -8.475 -1.083) 8.593 15.957 ( -16.537 -2.633 -2.535) 16.937 16.061 ( 4.148 -2.720 -7.986) 9.400 16.517 ( -11.592 0.837 2.035) 11.799 16.757 ( -7.483 -3.923 7.976) 11.619 17.864 ( 13.415 -3.050 1.567) 13.846 19.859 ( 18.447 6.761 4.201) 20.092 20.951 ( 1.800 4.481 2.193) 5.303 22.076 ( 3.657 -1.259 2.173) 4.436 22.470 ( -3.907 0.013 -0.005) 3.907 24.988 ( 4.501 -0.788 1.825) 4.920 26.414 ( 2.115 0.876 5.117) 5.605 27.141 ( -36.998 0.854 -12.709) 39.129 28.703 ( 3.933 6.799 19.520) 21.041 29.140 ( 0.517 -0.547 -3.898) 3.970 29.405 ( 8.196 5.562 -12.958) 16.310 29.687 ( -6.264 -6.281 -2.727) 9.281 30.199 ( -3.843 2.627 1.370) 4.853 30.513 ( -7.686 -12.683 -10.017) 17.896 31.493 ( -0.180 -5.037 0.978) 5.135 32.306 ( 9.361 12.735 3.346) 16.155 33.566 ( 13.847 -7.624 5.401) 16.705 ======================= Grid point 21 (15/186) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -16.164 5.025 -3.233) 17.233 3.502 ( 15.493 -4.414 10.687) 19.332 3.843 ( 1.840 -18.528 0.333) 18.622 4.125 ( 12.338 10.215 2.545) 16.219 4.258 ( 4.404 -4.833 2.504) 7.002 4.764 ( 5.991 2.662 -0.333) 6.564 5.064 ( 3.026 -7.285 -3.522) 8.639 5.342 ( 3.151 -0.408 7.439) 8.089 5.871 ( 7.582 4.098 -4.437) 9.693 6.319 ( -4.280 13.395 -2.179) 14.230 6.560 ( 11.554 4.080 4.900) 13.197 6.762 ( -7.959 8.921 -3.780) 12.539 6.938 ( 8.786 -15.149 1.959) 17.621 7.312 ( -8.026 -2.207 0.389) 8.333 7.436 ( -4.102 0.527 -2.286) 4.726 8.110 ( -2.462 -0.482 0.485) 2.555 8.241 ( -2.740 19.211 3.674) 19.750 8.511 ( 1.224 4.158 0.833) 4.414 8.779 ( -1.442 -0.228 1.632) 2.190 9.038 ( 9.602 -1.411 -2.690) 10.071 9.181 ( 6.291 7.815 -8.587) 13.205 9.735 ( -7.327 1.932 -8.771) 11.591 10.037 ( -0.851 5.467 4.170) 6.928 10.160 ( -6.828 13.566 -0.825) 15.210 10.487 ( -3.434 -11.827 -6.119) 13.752 10.716 ( -4.372 -9.296 -0.117) 10.273 11.481 ( 9.094 7.134 5.101) 12.634 11.680 ( 3.175 -8.522 1.978) 9.307 11.868 ( -2.989 0.738 -6.417) 7.117 12.048 ( 5.269 -8.382 -1.280) 9.983 12.361 ( 0.050 -1.159 13.534) 13.583 12.546 ( 4.920 3.301 10.013) 11.634 13.011 ( 3.467 4.717 -0.112) 5.855 13.327 ( -13.843 24.482 -5.924) 28.741 13.475 ( -0.316 -14.631 -3.655) 15.084 14.300 ( 0.880 -0.003 -3.041) 3.166 14.469 ( 5.985 -6.499 -7.550) 11.621 14.919 ( -7.073 -7.924 1.432) 10.718 15.596 ( -6.103 -1.582 4.322) 7.644 15.811 ( -6.216 1.133 -11.557) 13.171 16.185 ( 7.430 -4.771 -4.765) 10.034 16.492 ( -5.343 -10.001 8.472) 14.154 16.736 ( -7.764 -4.135 3.877) 9.613 18.080 ( 10.677 -3.922 2.065) 11.560 20.009 ( 20.261 10.935 7.370) 24.174 20.842 ( -4.720 8.175 -1.076) 9.501 22.130 ( 1.790 0.577 1.265) 2.267 22.440 ( -2.090 -1.770 0.360) 2.762 25.071 ( 5.153 -0.524 1.010) 5.277 26.409 ( -2.351 2.772 2.940) 4.675 26.607 ( -31.507 1.896 -11.390) 33.556 28.774 ( 7.162 2.984 13.314) 15.409 29.140 ( 0.208 -0.878 -3.929) 4.032 29.392 ( 6.714 4.783 -6.126) 10.271 29.732 ( -2.115 -8.555 1.073) 8.878 30.153 ( -1.989 -0.950 1.039) 2.437 30.528 ( -10.546 -11.562 -9.918) 18.527 31.569 ( -1.278 -5.573 1.288) 5.861 32.188 ( 6.052 18.518 1.714) 19.558 33.872 ( 11.662 -8.536 3.893) 14.967 ======================= Grid point 22 (16/186) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -11.365 6.693 -2.558) 13.435 3.576 ( -0.138 29.435 3.303) 29.620 3.785 ( 5.194 -0.451 -0.651) 5.254 4.194 ( 3.523 6.751 -1.287) 7.723 4.377 ( -2.352 -2.338 1.562) 3.666 4.904 ( 3.634 -9.058 0.284) 9.764 5.245 ( 9.529 -9.132 7.652) 15.256 5.572 ( 2.298 -12.050 5.460) 13.427 5.710 ( 8.237 25.213 -11.311) 28.835 6.007 ( -12.059 10.965 0.015) 16.299 6.431 ( 2.688 13.179 0.894) 13.480 6.667 ( -4.302 0.874 -4.014) 5.948 7.190 ( 4.940 -1.931 1.500) 5.512 7.345 ( -4.133 -7.887 1.993) 9.125 7.359 ( -0.765 -1.315 1.344) 2.030 7.759 ( -6.677 15.125 -6.288) 17.689 8.294 ( 8.572 -4.092 7.523) 12.117 8.573 ( -5.091 -8.602 2.504) 10.304 8.801 ( 4.333 -0.561 -0.991) 4.481 8.981 ( -3.941 4.916 -5.826) 8.581 9.298 ( 13.279 -1.800 -3.342) 13.810 9.586 ( -8.813 1.219 -3.490) 9.557 9.886 ( 0.718 16.802 8.970) 19.060 10.016 ( -3.668 -6.193 -3.248) 7.896 10.420 ( -6.882 1.879 -1.399) 7.270 10.972 ( 2.366 -18.885 -3.343) 19.323 11.384 ( 5.641 16.940 0.985) 17.882 11.723 ( -4.700 5.761 -0.895) 7.489 11.917 ( 7.775 -3.163 5.226) 9.888 12.269 ( 4.519 -1.828 -5.012) 6.992 12.440 ( -1.980 -15.287 9.692) 18.209 12.582 ( 5.074 6.897 4.184) 9.530 12.740 ( -8.688 22.767 -6.412) 25.198 12.884 ( -5.971 10.216 -2.622) 12.120 13.779 ( 2.426 -21.701 3.318) 22.087 14.290 ( -1.479 -3.035 -3.110) 4.590 14.674 ( 7.500 -9.145 -2.636) 12.117 14.988 ( -2.819 -9.218 0.677) 9.663 15.595 ( -6.310 -7.602 7.210) 12.230 15.634 ( -2.572 6.415 -13.816) 15.449 16.302 ( 5.584 -2.040 -4.264) 7.316 16.641 ( -4.876 -5.000 16.192) 17.633 16.768 ( -0.259 -13.730 -7.390) 15.594 18.273 ( 7.228 -4.460 2.284) 8.795 20.130 ( 19.546 14.034 8.301) 25.454 20.591 ( -10.470 10.015 -4.266) 15.104 22.114 ( -0.196 3.071 0.814) 3.183 22.471 ( 0.004 -3.677 0.129) 3.679 25.141 ( 4.105 -0.248 0.451) 4.137 26.114 ( -23.647 3.541 -7.628) 25.098 26.370 ( -1.703 5.085 0.238) 5.368 28.892 ( 5.188 -0.461 8.856) 10.274 29.137 ( -0.092 -0.867 -3.596) 3.700 29.372 ( 4.185 5.404 -3.320) 7.599 29.898 ( 2.459 -11.400 4.103) 12.363 30.189 ( 1.640 -4.393 1.438) 4.905 30.491 ( -11.817 -9.109 -8.536) 17.190 31.632 ( -0.555 -4.140 1.596) 4.472 31.953 ( 1.509 20.562 -0.146) 20.618 34.152 ( 8.675 -9.224 2.630) 12.933 ======================= Grid point 23 (17/186) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 10.577 0.000) 10.577 2.979 ( 0.000 46.228 0.000) 46.228 3.889 ( -0.000 -4.704 -0.000) 4.704 4.009 ( 0.000 17.910 0.000) 17.910 4.323 ( 0.000 3.971 0.000) 3.971 4.889 ( 0.000 63.072 0.000) 63.072 4.993 ( 0.000 1.658 0.000) 1.658 5.645 ( -0.000 -7.748 -0.000) 7.748 5.736 ( -0.000 -10.014 -0.000) 10.014 6.052 ( -0.000 -20.631 -0.000) 20.631 6.289 ( 0.000 11.505 0.000) 11.505 6.583 ( 0.000 0.896 0.000) 0.896 7.270 ( -0.000 -1.019 -0.000) 1.019 7.276 ( 0.000 1.038 0.000) 1.038 7.533 ( -0.000 -13.243 -0.000) 13.243 7.551 ( 0.000 6.699 0.000) 6.699 8.552 ( -0.000 -7.720 -0.000) 7.720 8.589 ( -0.000 -9.134 -0.000) 9.134 8.763 ( 0.000 9.422 0.000) 9.422 9.003 ( -0.000 -14.376 -0.000) 14.376 9.435 ( -0.000 -1.860 -0.000) 1.860 9.509 ( -0.000 -5.080 -0.000) 5.080 9.696 ( 0.000 12.212 0.000) 12.212 10.137 ( -0.000 -12.080 -0.000) 12.080 10.309 ( 0.000 6.067 0.000) 6.067 11.073 ( 0.000 17.385 0.000) 17.385 11.266 ( -0.000 -4.539 -0.000) 4.539 11.575 ( 0.000 9.446 0.000) 9.446 12.003 ( 0.000 2.854 0.000) 2.854 12.108 ( 0.000 15.457 0.000) 15.457 12.405 ( 0.000 9.629 0.000) 9.629 12.559 ( 0.000 4.190 0.000) 4.190 12.674 ( 0.000 8.249 0.000) 8.249 12.788 ( -0.000 -20.259 -0.000) 20.259 14.145 ( -0.000 -23.516 -0.000) 23.516 14.306 ( -0.000 -0.309 -0.000) 0.309 14.852 ( -0.000 -7.776 -0.000) 7.776 15.109 ( -0.000 -8.239 -0.000) 8.239 15.482 ( 0.000 4.456 0.000) 4.456 15.746 ( -0.000 -15.785 -0.000) 15.785 16.361 ( -0.000 -3.048 -0.000) 3.048 16.673 ( -0.000 -1.885 -0.000) 1.885 16.982 ( -0.000 -13.050 -0.000) 13.050 18.387 ( -0.000 -2.955 -0.000) 2.955 20.072 ( 0.000 20.571 0.000) 20.571 20.350 ( 0.000 5.742 0.000) 5.742 22.062 ( 0.000 3.676 0.000) 3.676 22.530 ( -0.000 -3.861 -0.000) 3.861 25.187 ( -0.000 -1.155 -0.000) 1.155 25.847 ( 0.000 4.791 0.000) 4.791 26.270 ( 0.000 6.959 0.000) 6.959 28.966 ( -0.000 -1.349 -0.000) 1.349 29.138 ( -0.000 -0.734 -0.000) 0.734 29.317 ( 0.000 5.027 0.000) 5.027 30.082 ( -0.000 -8.286 -0.000) 8.286 30.375 ( -0.000 -12.603 -0.000) 12.603 30.433 ( -0.000 -3.789 -0.000) 3.789 31.643 ( 0.000 21.216 0.000) 21.216 31.701 ( -0.000 -4.389 -0.000) 4.389 34.363 ( -0.000 -9.404 -0.000) 9.404 ======================= Grid point 28 (18/186) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -11.574 -0.000 -2.312) 11.803 3.288 ( 13.639 0.000 6.299) 15.023 3.442 ( 14.698 0.000 14.150) 20.403 4.235 ( 4.444 0.000 -5.296) 6.913 4.272 ( 5.585 0.000 2.741) 6.221 4.823 ( 2.129 0.000 0.121) 2.133 4.853 ( 5.284 0.000 -0.511) 5.309 5.631 ( 5.579 0.000 8.260) 9.968 5.951 ( 6.441 0.000 -7.089) 9.578 6.133 ( 6.487 0.000 1.049) 6.571 6.638 ( 22.659 0.000 10.513) 24.979 6.817 ( -4.614 -0.000 -8.115) 9.335 7.054 ( 0.003 0.000 -0.234) 0.234 7.171 ( -18.272 -0.000 0.528) 18.280 7.459 ( -1.606 -0.000 -3.384) 3.746 7.992 ( -0.549 -0.000 -0.472) 0.724 8.530 ( 2.169 0.000 8.858) 9.120 8.709 ( 0.079 0.000 6.409) 6.410 8.837 ( -7.300 -0.000 -2.092) 7.594 9.036 ( 15.525 0.000 -1.265) 15.577 9.633 ( 4.268 0.000 -8.453) 9.470 9.648 ( -0.052 -0.000 -16.880) 16.880 9.982 ( 5.611 0.000 -20.845) 21.587 10.087 ( -10.766 -0.000 6.418) 12.534 10.527 ( -2.929 -0.000 -3.015) 4.204 10.779 ( -13.230 -0.000 10.490) 16.884 11.133 ( -4.616 -0.000 7.025) 8.406 11.594 ( -1.227 -0.000 7.667) 7.764 11.865 ( 2.686 0.000 -3.248) 4.215 12.129 ( -2.434 -0.000 -6.559) 6.996 12.294 ( 3.012 0.000 10.803) 11.215 12.688 ( 9.466 0.000 10.791) 14.355 12.926 ( 16.025 0.000 -5.536) 16.954 13.236 ( -8.024 -0.000 -7.661) 11.094 13.914 ( -12.322 -0.000 2.103) 12.500 14.231 ( -8.096 -0.000 -0.827) 8.138 14.320 ( 8.718 0.000 -7.897) 11.762 14.934 ( -3.432 -0.000 -4.456) 5.625 15.479 ( 0.141 0.000 -1.454) 1.461 15.770 ( -7.758 -0.000 5.833) 9.706 16.122 ( 10.752 0.000 -9.456) 14.319 16.322 ( -13.836 -0.000 -2.946) 14.146 16.676 ( -9.138 -0.000 12.409) 15.411 18.023 ( 11.045 0.000 1.611) 11.162 20.173 ( 18.549 0.000 5.939) 19.477 20.987 ( -2.812 -0.000 -0.408) 2.842 22.126 ( 3.479 0.000 2.690) 4.397 22.416 ( -3.803 -0.000 -0.231) 3.810 25.059 ( 5.496 0.000 1.592) 5.722 26.455 ( 0.059 0.000 3.971) 3.971 26.650 ( -30.510 -0.000 -10.138) 32.151 28.838 ( 0.487 0.000 14.907) 14.915 29.126 ( 0.439 0.000 -3.763) 3.788 29.515 ( 7.739 0.000 -12.419) 14.633 29.535 ( -4.910 -0.000 0.143) 4.912 30.176 ( -4.963 -0.000 2.322) 5.479 30.294 ( -4.377 -0.000 -8.700) 9.739 31.467 ( 0.638 0.000 0.612) 0.884 32.527 ( 6.784 0.000 2.601) 7.265 33.696 ( 11.001 0.000 3.893) 11.670 ======================= Grid point 29 (19/186) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -9.702 6.009 -1.511) 11.511 3.574 ( 4.362 -18.237 0.539) 18.759 3.679 ( 8.745 -1.569 8.163) 12.065 4.270 ( 4.163 -1.791 -0.617) 4.573 4.343 ( 3.286 2.598 1.278) 4.379 4.884 ( 4.575 -1.647 3.480) 5.979 4.953 ( 2.156 -7.044 -3.113) 7.997 5.500 ( -0.610 17.490 2.265) 17.646 6.015 ( 10.367 0.199 -1.509) 10.478 6.366 ( 0.031 -5.605 1.054) 5.703 6.585 ( -7.544 4.889 -5.834) 10.717 6.873 ( 0.028 -8.788 -1.731) 8.957 6.925 ( 2.931 13.588 2.741) 14.168 7.205 ( 3.592 -5.196 6.833) 9.305 7.402 ( -3.227 1.048 -3.734) 5.045 8.042 ( -0.238 -5.790 0.382) 5.808 8.496 ( 0.150 13.404 5.715) 14.572 8.603 ( -5.531 11.973 -2.768) 13.476 8.755 ( 0.158 -0.900 3.624) 3.738 9.229 ( 13.232 4.549 -0.364) 13.997 9.428 ( 9.627 13.558 -10.113) 19.462 9.634 ( -5.379 0.791 -6.097) 8.169 9.941 ( -11.372 0.893 1.975) 11.577 10.196 ( 3.915 -18.732 -13.003) 23.136 10.409 ( 2.290 11.150 3.488) 11.906 10.598 ( -10.904 3.907 7.584) 13.845 11.319 ( -1.126 -24.413 4.713) 24.889 11.654 ( 0.399 -4.012 2.692) 4.848 11.804 ( -4.028 3.103 -8.539) 9.938 12.104 ( 4.536 0.298 1.094) 4.676 12.368 ( -0.425 -0.691 6.432) 6.483 12.779 ( 7.916 6.994 7.515) 12.963 13.097 ( 0.052 2.686 -3.192) 4.172 13.205 ( 3.640 -12.628 -3.476) 13.594 13.528 ( -12.772 20.138 -1.300) 23.882 14.241 ( -4.498 -7.687 -3.068) 9.420 14.461 ( 8.550 -3.831 -1.122) 9.436 14.769 ( -4.373 7.024 -4.258) 9.306 15.547 ( -1.249 -3.870 2.767) 4.918 15.774 ( 1.827 0.408 -0.285) 1.893 16.200 ( -3.632 -9.378 -0.563) 10.072 16.259 ( 4.802 -4.246 -7.657) 9.985 16.607 ( -9.625 -1.829 9.418) 13.590 18.160 ( 6.236 -2.475 1.089) 6.797 20.400 ( 16.752 4.524 6.524) 18.538 20.863 ( -7.681 6.454 -2.929) 10.451 22.171 ( 1.938 0.775 1.414) 2.521 22.384 ( -2.148 -1.762 -0.062) 2.779 25.131 ( 3.722 -0.252 0.796) 3.814 26.256 ( -18.053 4.329 -5.736) 19.431 26.457 ( -1.074 0.872 1.601) 2.116 28.890 ( 1.331 0.233 7.856) 7.971 29.119 ( 0.166 -0.268 -2.736) 2.754 29.511 ( 4.098 1.756 -2.042) 4.904 29.575 ( -1.394 -6.381 -2.323) 6.932 30.126 ( -1.905 -0.114 1.253) 2.283 30.263 ( -4.644 -5.698 -5.661) 9.278 31.499 ( 0.065 -3.086 0.390) 3.111 32.504 ( 3.610 13.087 1.306) 13.638 33.879 ( 6.032 -7.391 1.997) 9.747 ======================= Grid point 30 (20/186) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 7.145 0.000) 7.145 3.777 ( -0.000 -2.154 -0.000) 2.154 3.814 ( -0.000 -4.947 -0.000) 4.947 4.280 ( 0.000 5.170 0.000) 5.170 4.356 ( -0.000 -1.974 -0.000) 1.974 4.900 ( 0.000 5.503 0.000) 5.503 5.127 ( -0.000 -15.229 -0.000) 15.229 5.398 ( -0.000 -7.113 -0.000) 7.113 6.084 ( 0.000 7.159 0.000) 7.159 6.104 ( 0.000 21.332 0.000) 21.332 6.594 ( -0.000 -4.157 -0.000) 4.157 6.718 ( 0.000 18.217 0.000) 18.217 7.073 ( -0.000 -15.897 -0.000) 15.897 7.315 ( -0.000 -1.953 -0.000) 1.953 7.328 ( 0.000 2.347 0.000) 2.347 7.987 ( 0.000 19.683 0.000) 19.683 8.313 ( -0.000 -2.209 -0.000) 2.209 8.465 ( 0.000 3.773 0.000) 3.773 8.783 ( -0.000 -1.699 -0.000) 1.699 9.142 ( 0.000 13.274 0.000) 13.274 9.463 ( 0.000 3.921 0.000) 3.921 9.489 ( 0.000 2.667 0.000) 2.667 9.882 ( -0.000 -4.944 -0.000) 4.944 10.200 ( 0.000 20.722 0.000) 20.722 10.350 ( -0.000 -4.854 -0.000) 4.854 10.676 ( -0.000 -19.361 -0.000) 19.361 11.630 ( 0.000 11.074 0.000) 11.074 11.706 ( -0.000 -7.577 -0.000) 7.577 11.762 ( -0.000 -20.733 -0.000) 20.733 12.208 ( -0.000 -8.192 -0.000) 8.192 12.352 ( 0.000 2.773 0.000) 2.773 12.742 ( 0.000 7.462 0.000) 7.462 12.989 ( 0.000 10.304 0.000) 10.304 13.060 ( 0.000 26.611 0.000) 26.611 13.496 ( -0.000 -19.463 -0.000) 19.463 14.243 ( 0.000 0.135 0.000) 0.135 14.608 ( -0.000 -7.056 -0.000) 7.056 14.757 ( -0.000 -12.342 -0.000) 12.342 15.555 ( 0.000 0.913 0.000) 0.913 15.702 ( 0.000 7.829 0.000) 7.829 16.324 ( -0.000 -0.822 -0.000) 0.822 16.447 ( -0.000 -22.412 -0.000) 22.412 16.590 ( -0.000 -3.181 -0.000) 3.181 18.261 ( -0.000 -4.622 -0.000) 4.622 20.512 ( 0.000 4.673 0.000) 4.673 20.599 ( 0.000 14.436 0.000) 14.436 22.158 ( 0.000 2.623 0.000) 2.623 22.415 ( -0.000 -3.692 -0.000) 3.692 25.163 ( -0.000 -0.464 -0.000) 0.464 26.029 ( 0.000 6.958 0.000) 6.958 26.423 ( 0.000 3.147 0.000) 3.147 28.928 ( -0.000 -1.073 -0.000) 1.073 29.118 ( -0.000 -0.483 -0.000) 0.483 29.477 ( 0.000 5.510 0.000) 5.510 29.724 ( -0.000 -14.053 -0.000) 14.053 30.146 ( -0.000 -3.251 -0.000) 3.251 30.289 ( -0.000 -5.488 -0.000) 5.488 31.557 ( -0.000 -4.696 -0.000) 4.696 32.280 ( 0.000 20.302 0.000) 20.302 34.061 ( -0.000 -10.555 -0.000) 10.555 ======================= Grid point 38 (21/186) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 6.084 ( -0.000 -0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.278 ( -0.000 -0.000 -0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.659 ( -0.000 -0.000 -0.000) 0.000 8.758 ( 0.000 0.000 -0.000) 0.000 9.410 ( -0.000 -0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 -0.000) 0.000 10.052 ( -0.000 -0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 11.118 ( 0.000 0.000 -0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 13.082 ( 0.000 0.000 -0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 14.090 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 0.000 -0.000) 0.000 14.862 ( 0.000 0.000 0.000) 0.000 15.475 ( 0.000 0.000 0.000) 0.000 15.832 ( -0.000 -0.000 -0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 18.183 ( 0.000 0.000 0.000) 0.000 20.586 ( 0.000 0.000 0.000) 0.000 20.828 ( 0.000 0.000 0.000) 0.000 22.199 ( -0.000 -0.000 0.000) 0.000 22.351 ( 0.000 0.000 0.000) 0.000 25.157 ( 0.000 0.000 0.000) 0.000 26.158 ( 0.000 0.000 0.000) 0.000 26.459 ( 0.000 0.000 0.000) 0.000 28.911 ( 0.000 0.000 -0.000) 0.000 29.114 ( 0.000 0.000 0.000) 0.000 29.479 ( 0.000 0.000 0.000) 0.000 29.578 ( 0.000 0.000 -0.000) 0.000 30.110 ( 0.000 0.000 0.000) 0.000 30.186 ( 0.000 0.000 0.000) 0.000 31.479 ( 0.000 0.000 0.000) 0.000 32.632 ( 0.000 0.000 0.000) 0.000 33.863 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/186) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 25.307 0.000 47.021) 53.399 0.996 ( 10.797 0.000 49.126) 50.299 1.794 ( -0.321 -0.000 85.856) 85.856 3.757 ( 0.553 0.000 1.916) 1.995 4.231 ( -15.230 -0.000 7.472) 16.964 4.451 ( -8.445 -0.000 36.499) 37.463 5.128 ( -16.562 -0.000 14.108) 21.756 5.431 ( -3.221 -0.000 3.637) 4.859 5.547 ( -1.169 -0.000 1.190) 1.669 6.022 ( 1.643 0.000 6.145) 6.360 6.324 ( -6.021 -0.000 -3.322) 6.877 7.009 ( -7.999 -0.000 -15.559) 17.495 7.100 ( -1.077 -0.000 -3.736) 3.888 7.440 ( 1.431 0.000 0.800) 1.639 7.498 ( 13.118 0.000 5.151) 14.093 8.277 ( -5.532 -0.000 -7.389) 9.230 8.688 ( 2.557 0.000 8.900) 9.260 8.817 ( -2.351 -0.000 -2.717) 3.593 9.057 ( 5.931 0.000 5.058) 7.795 9.187 ( 9.421 0.000 -20.110) 22.207 9.402 ( 15.735 0.000 -13.317) 20.614 9.794 ( -17.867 -0.000 4.314) 18.381 9.903 ( -12.132 -0.000 3.331) 12.581 9.937 ( 7.302 0.000 1.358) 7.427 10.534 ( 2.963 0.000 6.474) 7.120 10.619 ( 5.527 0.000 -5.908) 8.090 11.036 ( 0.808 0.000 -14.728) 14.750 11.060 ( -0.595 -0.000 -3.453) 3.504 11.542 ( -5.770 -0.000 16.018) 17.026 11.605 ( 4.264 0.000 -7.600) 8.714 12.261 ( 0.097 0.000 3.761) 3.762 12.584 ( -3.464 -0.000 1.558) 3.798 12.730 ( 6.399 0.000 1.277) 6.525 13.520 ( 21.153 0.000 4.787) 21.688 13.952 ( -7.448 -0.000 -11.781) 13.938 14.928 ( 5.952 0.000 -3.830) 7.078 15.039 ( 3.525 0.000 -1.243) 3.737 15.542 ( -0.328 -0.000 3.318) 3.334 16.085 ( 0.985 0.000 -4.106) 4.223 16.458 ( -7.892 -0.000 -15.529) 17.419 16.646 ( 2.787 0.000 7.620) 8.114 16.899 ( 1.150 0.000 -5.025) 5.155 17.308 ( -36.181 -0.000 6.950) 36.843 17.831 ( -7.047 -0.000 13.322) 15.072 19.195 ( -26.886 -0.000 -3.594) 27.125 20.163 ( 2.178 0.000 -0.205) 2.188 21.817 ( 2.015 0.000 -2.818) 3.464 22.500 ( 4.325 0.000 -15.644) 16.231 25.079 ( -1.824 -0.000 5.861) 6.138 26.047 ( 1.865 0.000 9.107) 9.296 26.062 ( 75.965 0.000 -2.614) 76.010 28.944 ( -4.234 -0.000 -5.673) 7.079 29.223 ( -1.618 -0.000 5.809) 6.030 30.324 ( -3.811 -0.000 1.850) 4.237 30.368 ( -24.519 -0.000 -8.312) 25.890 30.562 ( -3.469 -0.000 -2.373) 4.203 30.784 ( -4.197 -0.000 9.756) 10.621 31.478 ( -1.701 -0.000 3.449) 3.846 31.786 ( 4.299 0.000 -0.779) 4.369 33.108 ( -13.322 -0.000 -2.758) 13.604 ======================= Grid point 68 (23/186) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 22.245 -25.881 38.198) 51.222 1.744 ( 25.465 -21.876 40.537) 52.633 2.660 ( 33.113 -33.991 63.089) 78.943 3.786 ( 4.042 0.777 4.568) 6.149 4.110 ( -11.892 -0.129 11.001) 16.200 4.536 ( -0.436 -0.244 29.405) 29.409 4.971 ( -12.996 -0.985 14.948) 19.832 5.309 ( -9.509 1.626 -6.401) 11.578 5.661 ( -2.800 -11.819 2.798) 12.465 6.057 ( -3.389 1.099 1.137) 3.740 6.249 ( -3.697 -7.257 0.392) 8.154 6.868 ( -2.275 5.256 -10.750) 12.181 7.086 ( -0.152 -1.112 -4.720) 4.851 7.379 ( -3.067 2.512 0.482) 3.993 7.687 ( 15.675 2.397 3.602) 16.261 8.205 ( -6.318 -3.846 -9.096) 11.723 8.566 ( -2.024 24.980 -5.913) 25.750 8.786 ( -2.329 -5.302 7.260) 9.287 8.964 ( 2.172 10.168 5.322) 11.680 9.267 ( -6.743 -0.770 -10.127) 12.191 9.510 ( 0.115 -0.532 -6.003) 6.027 9.658 ( -6.060 -12.731 -2.703) 14.357 9.821 ( -0.090 -4.735 -1.010) 4.842 10.133 ( 19.172 7.032 -10.517) 22.970 10.550 ( -1.105 6.545 4.357) 7.940 10.633 ( 8.223 13.086 -0.011) 15.455 10.990 ( 4.809 -4.113 -2.466) 6.792 11.153 ( 6.994 -7.221 -12.509) 16.048 11.575 ( -0.278 -3.701 14.081) 14.562 11.718 ( 3.662 -9.635 -1.343) 10.395 12.289 ( 0.952 -1.327 2.827) 3.265 12.509 ( -5.721 2.714 0.073) 6.332 12.805 ( 3.779 -0.167 2.584) 4.581 13.586 ( 6.063 12.429 6.073) 15.104 13.906 ( -2.262 -8.216 -19.356) 21.149 14.890 ( -14.194 22.279 5.928) 27.073 14.980 ( -2.234 2.807 4.891) 6.065 15.177 ( -5.776 11.535 6.737) 14.554 15.973 ( -11.274 -0.326 -6.534) 13.035 16.351 ( -32.840 -24.572 8.918) 41.974 16.595 ( 1.642 10.814 11.257) 15.696 16.788 ( -20.062 -4.191 4.075) 20.896 16.896 ( 6.471 6.465 3.342) 9.738 17.987 ( -3.790 -7.196 -10.676) 13.421 19.063 ( -0.522 -4.537 -5.561) 7.196 20.304 ( 15.653 -0.079 -1.753) 15.751 21.867 ( 2.713 -2.825 -2.456) 4.623 22.499 ( 3.031 -1.102 -14.079) 14.443 25.079 ( -5.825 -2.775 4.683) 7.973 26.166 ( 5.787 -2.104 11.209) 12.789 26.895 ( 70.620 21.456 -26.229) 78.329 28.680 ( -14.830 8.992 -8.363) 19.254 29.237 ( -1.096 -0.441 7.194) 7.291 29.870 ( -22.701 12.696 27.174) 37.616 30.194 ( -10.784 2.348 -1.637) 11.157 30.439 ( -4.489 5.577 4.876) 8.662 30.879 ( -2.478 -8.565 5.734) 10.600 31.378 ( 9.899 10.244 11.009) 18.004 31.782 ( 5.143 2.923 -2.268) 6.335 33.367 ( -21.112 -43.135 -21.199) 52.495 ======================= Grid point 69 (24/186) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 14.386 -26.568 39.047) 49.371 2.542 ( 27.639 -20.891 27.551) 44.266 3.635 ( 18.228 -12.001 13.476) 25.650 3.953 ( -9.862 -1.244 10.767) 14.654 4.075 ( 4.615 -20.826 32.196) 38.622 4.683 ( 4.887 1.232 22.398) 22.958 4.943 ( -7.130 -6.548 16.564) 19.185 5.189 ( -6.324 -7.339 -8.932) 13.177 5.725 ( -1.851 2.651 0.401) 3.258 5.974 ( -7.210 -6.407 -5.511) 11.109 6.405 ( 2.918 -6.079 5.916) 8.970 6.699 ( -2.470 4.628 -5.248) 7.421 7.072 ( -2.261 -2.162 -7.221) 7.870 7.364 ( 3.897 0.614 0.762) 4.018 7.847 ( 6.630 4.545 7.128) 10.743 8.032 ( 0.359 14.940 -12.617) 19.558 8.228 ( -1.988 8.702 -2.266) 9.210 8.757 ( -9.910 2.317 3.365) 10.719 8.855 ( -5.360 4.768 8.367) 11.022 9.078 ( -12.577 0.356 -5.225) 13.624 9.508 ( -3.030 -3.607 2.084) 5.151 9.727 ( 5.316 0.989 -6.564) 8.504 9.957 ( -0.032 -7.274 -8.969) 11.548 10.192 ( 11.536 3.704 -11.487) 16.696 10.406 ( 8.336 22.263 4.062) 24.117 10.523 ( 0.596 -2.627 0.026) 2.694 11.121 ( 3.265 0.333 4.777) 5.796 11.391 ( 13.081 -13.102 -12.412) 22.290 11.707 ( -1.836 -6.204 10.411) 12.258 11.919 ( 2.834 -11.070 -2.150) 11.628 12.304 ( -1.861 3.310 -0.225) 3.804 12.469 ( 4.599 -4.508 1.134) 6.539 12.841 ( 3.273 3.016 2.423) 5.068 13.508 ( -0.349 9.081 13.775) 16.503 13.853 ( -5.180 -0.379 -26.223) 26.732 14.340 ( -16.783 13.440 11.365) 24.320 14.938 ( -8.307 0.565 7.669) 11.320 15.119 ( 1.574 3.481 1.321) 4.042 15.807 ( -9.528 0.057 -9.345) 13.346 16.289 ( -12.954 -6.245 3.656) 14.838 16.519 ( -1.843 5.715 6.855) 9.113 16.617 ( -9.776 2.008 -1.773) 10.136 16.931 ( 4.869 5.283 12.988) 14.842 17.972 ( -9.818 -13.479 -16.434) 23.413 19.121 ( 5.984 0.623 -3.217) 6.822 20.499 ( 14.807 0.293 -5.328) 15.740 21.944 ( 3.784 -3.063 -2.040) 5.278 22.491 ( 1.793 -0.445 -10.036) 10.204 25.056 ( -5.616 -2.271 4.178) 7.359 26.317 ( 5.264 -1.311 11.083) 12.339 27.227 ( 44.460 19.643 -17.955) 51.816 28.342 ( -14.999 4.023 -11.241) 19.170 29.265 ( -1.141 -0.887 8.741) 8.860 29.638 ( -17.072 2.727 28.107) 32.998 30.013 ( -8.435 2.563 -2.301) 9.111 30.337 ( -4.405 3.027 4.588) 7.044 30.987 ( -3.960 -10.208 0.446) 10.958 31.449 ( 12.049 9.487 9.974) 18.294 31.835 ( 4.785 -2.642 -2.823) 6.152 33.512 ( -11.753 -20.468 -18.612) 30.058 ======================= Grid point 70 (25/186) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 5.820 -9.628 33.776) 35.600 3.248 ( 21.700 -10.289 19.279) 30.796 3.744 ( -15.626 -2.043 15.223) 21.911 4.001 ( 9.259 -8.245 3.242) 12.814 4.443 ( -10.727 -11.767 15.191) 22.007 4.694 ( -0.850 0.634 12.531) 12.576 5.186 ( -10.134 -4.487 -0.341) 11.088 5.295 ( 8.669 -15.774 18.622) 25.899 5.606 ( 2.672 13.049 0.698) 13.338 5.982 ( 2.359 -2.087 -3.863) 4.984 6.426 ( 0.002 2.735 1.631) 3.184 6.780 ( 1.764 -9.444 2.743) 9.991 7.057 ( -3.290 -6.736 -2.809) 8.006 7.402 ( 3.905 3.087 -3.983) 6.375 7.611 ( -6.098 11.223 -3.865) 13.345 8.033 ( 8.474 4.676 3.125) 10.171 8.139 ( -0.184 3.796 7.386) 8.307 8.592 ( -5.263 4.233 1.633) 6.949 8.725 ( -12.440 -0.590 0.141) 12.455 8.919 ( -5.892 0.965 -0.173) 5.973 9.539 ( -2.080 -2.066 4.424) 5.307 9.694 ( 4.350 8.842 -3.696) 10.525 9.914 ( -7.140 -3.112 -9.804) 12.521 10.155 ( -3.427 2.455 -5.873) 7.230 10.372 ( 22.108 10.115 -2.065) 24.400 10.742 ( 5.045 -18.583 -4.679) 19.816 11.113 ( -2.925 4.452 7.720) 9.379 11.661 ( 6.092 -7.252 -3.646) 10.149 11.766 ( 0.272 -2.139 3.422) 4.045 12.014 ( -2.603 -1.891 -6.903) 7.616 12.252 ( 2.950 -0.038 -2.363) 3.780 12.674 ( 10.463 -0.590 -1.267) 10.556 12.858 ( 3.175 -0.966 6.566) 7.357 13.318 ( -7.958 20.636 10.199) 24.355 13.665 ( -4.482 -7.201 -15.344) 17.532 14.223 ( -1.611 -4.275 -0.755) 4.630 14.795 ( -13.570 3.255 9.542) 16.906 15.090 ( 1.911 4.305 1.907) 5.081 15.650 ( -6.407 0.568 -11.397) 13.087 16.253 ( -1.523 -1.345 -3.767) 4.280 16.388 ( -13.889 -1.386 2.519) 14.184 16.539 ( 3.028 3.358 5.108) 6.822 16.955 ( 0.986 5.494 16.924) 17.821 18.001 ( -3.146 -11.421 -15.492) 19.503 19.168 ( 7.652 4.065 -0.588) 8.685 20.616 ( 8.845 1.135 -10.031) 13.422 22.029 ( 3.892 -2.395 -2.041) 5.005 22.474 ( 0.773 0.378 -6.102) 6.162 25.034 ( -3.553 -0.890 3.232) 4.884 26.416 ( 1.995 0.784 9.601) 9.838 27.379 ( 18.966 8.123 -20.766) 29.273 28.103 ( -4.368 3.174 -6.631) 8.551 29.305 ( -1.101 -0.720 10.800) 10.880 29.525 ( -14.347 -0.606 22.620) 26.793 29.908 ( -3.161 0.445 1.410) 3.490 30.273 ( -2.705 1.696 3.631) 4.835 31.073 ( -6.648 -11.764 -2.565) 13.754 31.467 ( 9.107 12.313 8.130) 17.339 31.940 ( 2.267 -5.130 -1.096) 5.715 33.546 ( -1.362 -6.977 -15.271) 16.845 ======================= Grid point 71 (26/186) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -21.048 5.862 24.861) 33.097 3.340 ( -0.219 16.226 2.038) 16.355 3.824 ( 4.987 -2.244 1.360) 5.635 4.047 ( -14.209 3.593 42.259) 44.729 4.617 ( 5.479 -12.176 -2.395) 13.565 4.919 ( 6.184 -15.929 13.140) 21.555 4.973 ( -6.127 10.214 4.666) 12.792 5.285 ( -10.399 22.715 -2.131) 25.073 5.629 ( 3.975 -5.692 8.269) 10.798 6.144 ( 4.968 -12.178 4.938) 14.049 6.376 ( -2.142 4.104 1.891) 5.001 6.804 ( -6.639 1.349 -3.405) 7.582 7.126 ( -1.609 -0.958 1.334) 2.300 7.375 ( 3.401 5.961 -5.344) 8.698 7.438 ( -0.366 1.864 -3.273) 3.784 8.054 ( -6.563 -5.648 6.411) 10.774 8.189 ( 1.606 -3.381 13.120) 13.644 8.559 ( -0.206 -0.319 -2.842) 2.867 8.652 ( 2.704 -4.135 1.978) 5.322 8.914 ( 2.597 -1.033 4.684) 5.455 9.519 ( -3.477 3.862 2.961) 5.981 9.598 ( 3.010 4.945 -6.283) 8.544 9.851 ( -7.730 -8.325 -10.353) 15.370 10.108 ( -4.376 -5.684 0.200) 7.176 10.549 ( 15.473 0.507 -3.464) 15.864 10.958 ( -7.500 4.661 8.383) 12.176 11.059 ( 2.821 -10.429 -3.209) 11.270 11.670 ( 0.133 6.327 3.254) 7.116 11.791 ( -2.275 1.350 -11.901) 12.191 12.018 ( 8.070 -3.274 -4.112) 9.631 12.285 ( 0.933 3.089 2.096) 3.848 12.617 ( 2.905 13.823 -6.508) 15.552 12.954 ( -6.494 12.035 -4.996) 14.559 12.995 ( -4.588 -7.278 9.439) 12.772 13.849 ( 9.846 -15.664 -0.247) 18.503 14.296 ( 1.461 -5.383 -2.412) 6.077 14.623 ( -8.256 3.209 5.919) 10.653 15.080 ( 2.851 2.209 4.097) 5.458 15.525 ( -4.301 0.655 -12.348) 13.092 16.184 ( -9.773 -2.539 -1.879) 10.270 16.339 ( -0.921 -3.842 0.176) 3.955 16.605 ( 6.424 -0.181 5.141) 8.230 16.942 ( -0.324 6.706 17.782) 19.008 18.087 ( 4.377 -7.085 -11.818) 14.457 19.205 ( 8.654 5.483 1.159) 10.310 20.611 ( 1.480 2.177 -13.058) 13.321 22.081 ( 2.178 0.131 -2.502) 3.320 22.456 ( 1.168 0.418 -4.544) 4.710 25.017 ( -0.555 1.021 2.755) 2.990 26.422 ( -2.154 3.159 7.421) 8.348 27.253 ( -15.772 -3.501 -27.904) 32.243 28.147 ( 19.543 4.142 -1.373) 20.024 29.330 ( -1.769 1.952 10.905) 11.219 29.482 ( -10.871 -5.214 21.455) 24.611 29.932 ( 1.621 -2.400 6.669) 7.270 30.247 ( -0.845 0.515 2.910) 3.074 31.128 ( -9.954 -12.612 -4.392) 16.657 31.410 ( 5.315 12.456 6.618) 15.073 31.998 ( -2.882 -3.210 -0.510) 4.344 33.577 ( 10.195 2.105 -12.835) 16.526 ======================= Grid point 72 (27/186) ======================= q-point: (-0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -24.214 25.043 5.744) 35.305 2.885 ( -22.965 26.190 15.197) 38.003 3.749 ( -5.079 6.930 -7.948) 11.705 4.122 ( -6.163 -2.609 45.481) 45.971 4.535 ( -18.119 44.018 5.600) 47.929 4.748 ( -13.687 -2.681 9.630) 16.949 4.834 ( 2.809 2.306 6.774) 7.688 5.440 ( 14.784 -14.857 7.286) 22.190 5.680 ( 1.619 1.932 4.381) 5.054 6.269 ( -4.331 7.162 2.752) 8.811 6.362 ( -3.216 -2.468 3.354) 5.261 6.677 ( 0.636 -4.491 0.571) 4.572 7.106 ( -3.055 -5.256 -6.667) 9.022 7.327 ( -0.198 0.613 -4.986) 5.027 7.441 ( 1.598 0.747 2.414) 2.990 8.166 ( -1.919 -13.745 2.766) 14.152 8.299 ( -0.108 -5.084 8.272) 9.710 8.560 ( 3.590 2.110 -2.976) 5.119 8.839 ( 5.775 -5.002 8.468) 11.406 9.030 ( 6.862 -2.473 5.505) 9.138 9.332 ( -5.245 10.498 -4.361) 12.520 9.657 ( 2.723 -10.200 -7.080) 12.712 9.864 ( -7.702 -13.510 -11.430) 19.300 10.207 ( -2.133 -11.633 4.130) 12.527 10.650 ( 1.485 3.529 0.785) 3.908 10.759 ( -10.603 6.032 5.518) 13.389 11.184 ( 5.007 1.915 4.546) 7.028 11.549 ( -4.094 4.609 -6.579) 9.016 11.719 ( 3.289 2.186 -9.790) 10.557 12.128 ( -2.622 7.385 4.878) 9.231 12.157 ( 2.822 6.226 -9.816) 11.962 12.408 ( 1.585 10.239 -3.060) 10.803 12.793 ( -0.985 0.874 -7.323) 7.440 13.028 ( -7.845 -5.164 9.317) 13.229 14.281 ( 13.036 -14.279 3.558) 19.659 14.368 ( 2.500 -1.672 4.106) 5.090 14.573 ( 2.533 -3.531 -4.619) 6.342 15.161 ( 5.662 -2.571 9.238) 11.136 15.399 ( -4.426 1.549 -11.753) 12.654 16.134 ( -5.987 -5.356 1.912) 8.258 16.414 ( 2.930 -4.698 -1.639) 5.775 16.713 ( 5.381 0.157 0.684) 5.426 16.919 ( 0.817 5.857 18.432) 19.358 18.218 ( 10.449 -2.648 -7.777) 13.292 19.250 ( 8.680 5.029 2.217) 10.274 20.491 ( -5.397 2.903 -12.563) 13.978 22.053 ( -0.257 3.705 -2.783) 4.641 22.464 ( 3.340 -0.536 -6.415) 7.252 25.019 ( 2.878 2.428 3.738) 5.306 26.334 ( -5.622 5.081 5.180) 9.179 26.910 ( -30.413 -9.674 -30.920) 44.437 28.390 ( 22.799 1.631 -4.143) 23.230 29.297 ( -3.023 2.688 8.196) 9.140 29.581 ( -7.713 -10.058 28.761) 31.430 30.061 ( 5.373 -3.741 9.845) 11.823 30.261 ( 0.921 -0.844 2.450) 2.750 31.131 ( -13.608 -11.336 -4.791) 18.348 31.310 ( 1.245 10.176 5.094) 11.448 31.953 ( -6.706 -0.481 -1.619) 6.915 33.647 ( 22.144 11.006 -11.368) 27.216 ======================= Grid point 73 (28/186) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -23.575 36.695 0.412) 43.617 2.200 ( -27.297 33.543 28.639) 51.870 3.174 ( -35.655 46.544 4.647) 58.815 3.837 ( -10.185 9.956 7.022) 15.880 4.269 ( -4.606 -2.572 36.312) 36.693 4.617 ( -15.216 -0.312 15.970) 22.060 4.935 ( 2.641 -3.443 8.807) 9.818 5.630 ( 8.051 9.899 10.525) 16.540 5.762 ( -1.883 -1.972 0.486) 2.770 6.092 ( -2.158 8.310 2.846) 9.045 6.291 ( 1.084 2.421 -0.021) 2.653 6.914 ( 3.754 -14.223 5.125) 15.577 7.120 ( -2.651 -3.599 -4.792) 6.553 7.298 ( 0.653 2.615 1.147) 2.929 7.479 ( -3.506 -7.227 -6.912) 10.597 8.333 ( -3.609 -15.795 -0.343) 16.205 8.473 ( 7.667 -4.050 -2.139) 8.931 8.562 ( 6.739 4.145 3.063) 8.484 8.901 ( -4.037 4.826 8.925) 10.920 9.159 ( 7.639 5.478 -10.395) 14.015 9.197 ( 6.414 -4.661 2.357) 8.272 9.818 ( -13.276 -23.910 -14.827) 31.110 9.955 ( 1.369 -8.873 -2.829) 9.413 10.358 ( -2.380 -5.936 4.183) 7.642 10.520 ( -9.274 3.224 4.017) 10.608 10.570 ( -3.296 8.246 2.921) 9.348 11.220 ( 0.356 0.869 2.286) 2.471 11.378 ( -13.249 -0.381 -3.829) 13.796 11.679 ( 5.564 8.344 -11.495) 15.255 11.769 ( -7.275 16.984 -3.045) 18.725 12.214 ( 5.236 -0.850 0.575) 5.335 12.367 ( 7.505 3.132 -1.021) 8.196 12.763 ( -2.320 -1.280 -7.849) 8.284 13.062 ( -0.622 -1.116 13.826) 13.885 14.270 ( -3.385 6.113 3.546) 7.836 14.670 ( 16.358 -2.557 -8.636) 18.674 14.765 ( 3.766 -15.247 -0.672) 15.720 15.272 ( -5.248 -5.104 -14.704) 16.425 15.450 ( 15.136 -5.938 30.521) 34.582 16.182 ( -1.561 -5.203 5.188) 7.512 16.536 ( 9.069 -2.036 -2.657) 9.667 16.705 ( -0.021 4.230 -0.822) 4.310 16.968 ( 3.951 2.533 12.971) 13.794 18.349 ( 10.481 0.981 -7.279) 12.799 19.306 ( 5.360 1.425 2.831) 6.227 20.309 ( -7.671 2.847 -7.256) 10.936 21.965 ( -0.211 5.431 -3.275) 6.345 22.495 ( 4.908 -0.500 -9.922) 11.081 25.059 ( 6.310 3.310 5.778) 9.174 26.186 ( -7.209 5.365 3.755) 9.739 26.473 ( -39.180 -11.650 -36.083) 54.523 28.635 ( 16.713 -2.110 -5.502) 17.721 29.257 ( -2.555 1.747 6.465) 7.167 29.805 ( -8.664 -17.072 36.247) 40.992 30.242 ( 5.081 -4.312 10.822) 12.709 30.323 ( 4.405 -2.100 2.895) 5.674 31.053 ( -15.648 -7.352 -2.790) 17.513 31.198 ( -3.910 5.150 3.066) 7.157 31.850 ( -5.906 0.600 -3.465) 6.873 33.723 ( 34.463 24.170 -12.981) 44.050 ======================= Grid point 74 (29/186) ======================= q-point: (-0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -17.284 33.558 20.001) 42.719 1.424 ( -26.139 41.962 24.316) 55.093 2.033 ( -31.135 45.725 55.113) 78.087 3.751 ( -3.879 -2.036 2.777) 5.187 4.354 ( -8.260 -2.501 21.458) 23.128 4.486 ( -17.964 -1.045 23.094) 29.277 5.085 ( -3.075 -10.508 13.447) 17.341 5.584 ( -2.446 15.018 5.941) 16.335 5.606 ( -1.910 4.139 1.128) 4.697 6.016 ( -2.115 1.640 3.966) 4.785 6.337 ( 3.947 0.008 0.955) 4.061 7.104 ( 1.139 1.268 -4.353) 4.675 7.141 ( -4.908 -10.673 -0.743) 11.771 7.301 ( 6.005 -0.405 4.652) 7.607 7.440 ( -0.743 3.070 -7.236) 7.895 8.419 ( -3.374 5.090 -8.300) 10.304 8.583 ( 7.703 -9.366 0.710) 12.148 8.706 ( 0.537 -11.498 2.053) 11.693 8.848 ( 2.509 -0.025 5.033) 5.624 9.235 ( 16.188 4.281 -11.346) 20.226 9.296 ( 5.190 1.342 -5.856) 7.939 9.845 ( -14.875 -13.828 -13.585) 24.435 10.022 ( -7.194 -1.718 2.382) 7.770 10.204 ( -18.595 5.273 6.993) 20.554 10.470 ( 1.028 -1.958 3.016) 3.740 10.560 ( 3.169 -2.251 -4.925) 6.274 11.132 ( -11.238 -1.171 -8.114) 13.911 11.182 ( -5.875 5.711 -8.869) 12.074 11.519 ( -2.007 2.229 13.045) 13.386 11.633 ( 4.624 6.294 -8.292) 11.391 12.250 ( 0.936 1.445 3.516) 3.915 12.548 ( 12.945 -5.841 0.323) 14.205 12.672 ( -3.669 3.954 -3.889) 6.649 13.184 ( 9.221 -1.061 19.843) 21.907 14.128 ( -4.407 6.013 -5.063) 9.012 14.834 ( 10.912 -0.543 -6.114) 12.520 14.956 ( 4.298 -5.396 -2.954) 7.504 15.317 ( -4.428 -17.074 0.391) 17.643 15.961 ( 15.823 -9.715 14.462) 23.535 16.332 ( 5.387 -10.518 28.963) 31.281 16.591 ( 9.090 12.002 -6.152) 16.264 16.736 ( 10.086 -6.325 -1.732) 12.030 17.028 ( 13.842 10.514 12.398) 21.351 18.316 ( -11.096 1.090 -16.507) 19.920 19.374 ( -4.220 -7.061 1.060) 8.294 20.198 ( -2.416 0.925 0.940) 2.753 21.874 ( 1.118 5.698 -4.725) 7.486 22.515 ( 5.382 0.830 -13.611) 14.660 25.119 ( 7.764 6.658 5.445) 11.587 25.887 ( -37.128 -3.122 -26.500) 45.722 26.064 ( -4.872 3.965 5.530) 8.369 28.850 ( 8.160 -7.020 -3.242) 11.242 29.232 ( -2.197 0.817 5.446) 5.929 30.160 ( -5.635 -25.314 23.684) 35.121 30.377 ( -10.573 -14.264 13.164) 22.103 30.469 ( 9.008 -0.603 3.276) 9.604 30.931 ( -15.219 -5.266 -4.508) 16.723 31.144 ( -3.402 -7.620 14.708) 16.910 31.772 ( -2.069 0.302 -4.653) 5.101 33.653 ( 40.094 49.885 -23.655) 68.232 ======================= Grid point 76 (30/186) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 29.862 0.000 37.234) 47.729 2.124 ( 23.550 0.000 46.546) 52.165 3.280 ( 49.292 0.000 54.735) 73.659 3.890 ( 7.427 0.000 2.402) 7.806 4.014 ( -12.400 -0.000 18.102) 21.942 4.686 ( 7.059 0.000 25.164) 26.136 4.815 ( -13.761 -0.000 12.082) 18.312 5.169 ( -15.082 -0.000 -3.975) 15.597 5.525 ( 0.688 0.000 -1.805) 1.932 6.040 ( -5.403 -0.000 -5.197) 7.497 6.148 ( 0.853 0.000 9.178) 9.218 6.882 ( 1.656 0.000 -9.935) 10.073 7.052 ( -0.502 -0.000 -4.849) 4.875 7.368 ( -0.157 -0.000 -0.370) 0.402 7.939 ( 17.457 0.000 0.701) 17.471 8.039 ( -8.473 -0.000 -5.509) 10.106 8.646 ( -15.876 -0.000 1.814) 15.980 8.747 ( -2.538 -0.000 0.598) 2.607 9.099 ( -13.485 -0.000 -2.309) 13.682 9.164 ( -0.202 -0.000 1.430) 1.444 9.243 ( 1.051 0.000 -15.274) 15.311 9.553 ( -4.424 -0.000 0.717) 4.482 9.865 ( 13.453 0.000 -11.440) 17.659 10.258 ( -0.237 -0.000 -15.470) 15.472 10.692 ( 2.358 0.000 10.136) 10.407 10.878 ( 13.545 0.000 -1.799) 13.664 11.026 ( 8.735 0.000 -12.656) 15.378 11.212 ( 17.972 0.000 -5.929) 18.925 11.629 ( 0.499 0.000 -3.213) 3.251 11.653 ( 1.690 0.000 18.256) 18.334 12.316 ( 3.008 0.000 4.398) 5.328 12.457 ( -6.282 -0.000 -1.282) 6.411 12.817 ( -2.417 -0.000 9.393) 9.699 13.599 ( -8.494 -0.000 -18.483) 20.341 13.870 ( 9.770 0.000 -9.058) 13.323 14.927 ( -7.163 -0.000 5.541) 9.056 14.948 ( -33.209 -0.000 24.720) 41.399 15.216 ( -21.306 -0.000 18.394) 28.148 15.474 ( -3.327 -0.000 -4.515) 5.608 15.971 ( -4.432 -0.000 -5.295) 6.905 16.598 ( -10.739 -0.000 6.235) 12.418 16.843 ( 6.008 0.000 7.274) 9.434 17.105 ( 14.540 0.000 -2.090) 14.690 17.548 ( -32.539 -0.000 -7.276) 33.343 19.204 ( 17.459 0.000 -1.989) 17.572 20.533 ( 18.246 0.000 -5.892) 19.174 21.891 ( 4.650 0.000 -1.360) 4.844 22.471 ( 2.895 0.000 -13.616) 13.920 25.013 ( -4.533 -0.000 5.063) 6.796 26.297 ( 7.207 0.000 13.603) 15.394 27.612 ( 35.257 0.000 -50.239) 61.376 28.534 ( -10.119 -0.000 -11.029) 14.968 29.261 ( -0.389 -0.000 8.819) 8.827 29.762 ( -22.338 -0.000 23.029) 32.083 30.035 ( -13.023 -0.000 -2.008) 13.177 30.500 ( -2.387 -0.000 -4.813) 5.372 30.684 ( -15.556 -0.000 22.685) 27.506 31.479 ( -0.775 -0.000 4.809) 4.871 31.988 ( 10.243 0.000 -0.555) 10.258 32.883 ( 9.151 0.000 -0.084) 9.151 ======================= Grid point 77 (31/186) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 23.267 -12.379 34.993) 43.808 2.751 ( 23.142 -17.291 32.062) 43.157 3.840 ( -1.686 7.694 25.136) 26.341 3.986 ( 5.390 1.970 8.045) 9.882 4.084 ( 8.832 -6.556 31.586) 33.446 4.774 ( -6.028 -5.694 9.649) 12.722 4.888 ( -0.432 3.471 8.669) 9.348 5.097 ( 13.936 -7.341 17.227) 23.342 5.625 ( 2.144 -10.143 -2.928) 10.773 5.919 ( 0.978 5.067 -0.595) 5.195 6.306 ( 0.326 -12.563 6.587) 14.189 6.775 ( -0.551 9.062 -10.260) 13.700 7.012 ( -1.518 1.827 -5.487) 5.979 7.390 ( 2.842 -1.394 -2.322) 3.926 7.890 ( -10.724 2.070 -3.476) 11.462 8.166 ( 14.384 1.117 0.257) 14.430 8.346 ( -13.264 5.544 -3.841) 14.880 8.621 ( -3.863 7.183 -3.153) 8.744 8.933 ( -8.774 4.450 8.351) 12.904 9.005 ( -2.372 8.874 -4.668) 10.304 9.335 ( -5.999 -6.899 -1.909) 9.339 9.624 ( 3.434 -14.375 -10.961) 18.401 9.951 ( 5.812 3.175 -13.650) 15.172 10.135 ( -4.553 -1.094 -14.068) 14.827 10.619 ( -0.600 11.488 8.018) 14.022 10.965 ( 13.417 14.886 -1.533) 20.099 11.146 ( 4.976 -7.517 2.636) 9.392 11.431 ( 18.995 0.615 -9.769) 21.369 11.654 ( -1.113 -1.869 3.234) 3.898 11.834 ( 5.726 -7.785 7.890) 12.476 12.328 ( -3.777 2.507 0.440) 4.555 12.470 ( 8.120 -7.596 2.079) 11.312 12.842 ( -4.379 -2.895 11.669) 12.796 13.442 ( -7.323 -3.510 -16.306) 18.216 13.909 ( 7.384 6.534 -9.038) 13.375 14.387 ( -23.509 20.760 22.429) 38.557 14.830 ( -13.805 -0.216 10.580) 17.394 15.142 ( -3.281 -0.309 1.326) 3.553 15.542 ( -7.480 -11.122 -11.297) 17.530 15.970 ( -4.082 -9.844 -2.055) 10.853 16.436 ( -14.522 2.451 2.259) 14.900 16.798 ( -0.542 13.123 3.627) 13.626 17.100 ( -6.248 2.116 11.341) 13.120 17.470 ( -1.083 -18.821 -12.863) 22.822 19.396 ( 18.666 6.577 2.004) 19.893 20.695 ( 13.802 3.061 -8.736) 16.619 21.963 ( 5.033 -1.522 -1.428) 5.448 22.459 ( 1.637 -0.972 -10.402) 10.575 24.997 ( -2.279 -1.059 4.789) 5.409 26.436 ( 4.863 0.475 13.433) 14.294 27.567 ( -4.183 3.172 -37.596) 37.960 28.383 ( 10.321 12.453 -11.034) 19.580 29.293 ( -0.337 0.566 11.073) 11.093 29.561 ( -17.074 2.952 24.472) 29.985 29.887 ( -9.790 -2.295 -1.526) 10.171 30.354 ( -5.138 5.373 3.598) 8.259 30.718 ( -11.568 -13.307 5.904) 18.594 31.554 ( -0.864 -7.439 5.619) 9.362 32.017 ( 11.998 12.374 -1.412) 17.293 33.184 ( 11.739 -14.127 -6.576) 19.509 ======================= Grid point 78 (32/186) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 0.520 -5.548 28.667) 29.204 3.420 ( 16.878 -23.027 17.801) 33.645 3.794 ( 7.148 10.533 28.092) 30.841 4.086 ( 8.340 0.573 2.776) 8.808 4.222 ( -13.568 -4.830 27.014) 30.613 4.749 ( -2.196 3.206 8.444) 9.296 4.986 ( -0.365 -12.577 2.557) 12.839 5.381 ( 5.566 2.437 14.900) 16.092 5.722 ( 0.533 0.316 -2.020) 2.113 6.101 ( 18.044 0.019 6.805) 19.285 6.458 ( 0.378 0.072 0.072) 0.392 6.719 ( 5.886 -10.249 2.196) 12.021 6.904 ( -5.542 1.030 -6.109) 8.312 7.427 ( 0.806 0.026 -3.403) 3.497 7.610 ( -12.778 7.178 -7.338) 16.391 8.178 ( -1.953 -0.799 3.104) 3.753 8.320 ( 10.173 14.147 0.129) 17.425 8.493 ( -4.669 -2.646 -0.741) 5.417 8.708 ( -5.363 12.064 3.203) 13.585 8.900 ( -0.486 0.319 -0.387) 0.699 9.325 ( -11.934 -8.337 4.245) 15.164 9.781 ( -2.723 3.030 -10.080) 10.872 9.841 ( 3.868 -3.127 -15.461) 16.242 10.095 ( 0.273 -1.235 -12.561) 12.625 10.511 ( -0.843 -0.072 0.344) 0.913 10.942 ( 12.250 11.570 5.090) 17.602 11.204 ( 2.531 9.768 5.736) 11.606 11.654 ( 3.069 -13.014 -3.706) 13.875 11.682 ( 5.603 -1.644 -2.191) 6.236 11.975 ( 1.168 -0.360 0.861) 1.495 12.313 ( 5.499 0.587 0.170) 5.533 12.767 ( 13.087 -7.030 1.192) 14.903 12.868 ( -5.859 -2.360 13.542) 14.943 13.379 ( -5.480 -9.935 -18.112) 21.373 13.625 ( -6.712 28.299 7.181) 29.957 14.165 ( -0.019 -2.146 1.796) 2.799 14.669 ( -15.177 0.567 9.795) 18.072 15.108 ( -4.103 -2.064 -1.096) 4.721 15.497 ( -3.269 -2.615 -16.923) 17.433 16.090 ( -2.111 -10.639 -1.005) 10.893 16.190 ( -16.585 1.922 3.091) 16.979 16.669 ( -1.499 2.895 5.388) 6.298 17.074 ( -5.503 0.826 16.029) 16.968 17.695 ( 6.873 -13.330 -14.463) 20.835 19.530 ( 19.954 11.689 4.522) 23.564 20.729 ( 7.152 5.365 -11.949) 14.924 22.045 ( 4.190 -1.812 -1.838) 4.921 22.451 ( 0.439 -0.929 -6.463) 6.544 25.019 ( 0.580 -0.644 4.368) 4.453 26.507 ( 0.868 2.401 11.369) 11.652 27.207 ( -23.531 -0.024 -28.532) 36.984 28.373 ( 19.513 10.675 -8.730) 23.894 29.333 ( -1.818 -0.560 15.280) 15.398 29.441 ( -10.366 1.273 16.902) 19.868 29.841 ( -4.423 -4.257 2.153) 6.505 30.264 ( -4.045 1.331 3.750) 5.675 30.764 ( -11.817 -12.603 -0.408) 17.282 31.668 ( -1.955 -5.877 6.275) 8.817 31.963 ( 8.945 12.380 -3.122) 15.589 33.476 ( 13.707 -7.912 -8.859) 18.137 ======================= Grid point 79 (33/186) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -20.883 4.762 26.807) 34.313 3.680 ( 1.024 24.865 -0.576) 24.893 3.923 ( 6.932 -1.077 24.595) 25.576 4.149 ( -2.586 2.699 33.416) 33.625 4.419 ( 3.694 -19.564 -0.030) 19.910 4.837 ( 3.842 -9.642 13.680) 17.172 5.037 ( 0.334 3.633 0.976) 3.777 5.487 ( -1.371 10.932 -6.309) 12.696 5.649 ( 4.003 -5.090 11.923) 13.568 6.177 ( 3.932 4.539 5.287) 8.001 6.448 ( -1.179 8.966 1.439) 9.157 6.706 ( -4.370 0.941 -3.787) 5.859 7.102 ( 4.209 -7.281 3.296) 9.033 7.394 ( -3.536 -3.361 -5.263) 7.176 7.433 ( -0.756 -1.006 -2.295) 2.618 7.958 ( -11.518 15.327 -0.779) 19.189 8.272 ( 0.901 2.456 9.741) 10.086 8.496 ( 2.555 -5.156 -2.223) 6.169 8.736 ( 10.301 -0.847 6.400) 12.157 8.954 ( 4.668 -3.267 0.002) 5.697 9.278 ( -16.769 -8.695 2.339) 19.034 9.633 ( -3.027 2.176 -8.617) 9.388 9.814 ( 2.882 5.902 -9.960) 11.931 10.022 ( -1.476 3.231 -3.692) 5.124 10.654 ( 3.937 -11.374 -5.510) 13.238 10.925 ( -8.391 -1.128 4.822) 9.744 11.118 ( 13.622 13.045 2.921) 19.086 11.740 ( 1.644 0.466 -8.876) 9.039 11.792 ( 0.849 2.250 2.233) 3.282 12.029 ( 7.970 -7.471 -3.557) 11.488 12.382 ( 5.517 3.626 0.691) 6.637 12.825 ( 0.840 10.956 -1.433) 11.081 12.880 ( -6.482 -2.374 6.570) 9.530 13.062 ( -10.834 20.711 -0.298) 23.376 13.653 ( 5.435 -21.961 0.534) 22.630 14.266 ( 5.899 -4.214 -1.501) 7.403 14.556 ( -7.259 -2.256 6.188) 9.801 15.090 ( -2.588 -3.119 -3.912) 5.633 15.424 ( -0.869 -0.687 -14.829) 14.870 15.996 ( -13.258 -1.218 6.822) 14.960 16.196 ( -1.893 -7.434 -1.493) 7.815 16.721 ( 3.628 -3.988 5.131) 7.443 17.047 ( -6.035 1.961 17.592) 18.701 17.914 ( 8.608 -11.164 -14.805) 20.443 19.629 ( 21.626 15.041 4.856) 26.786 20.633 ( 0.045 6.647 -13.405) 14.963 22.095 ( 1.722 -0.407 -2.389) 2.973 22.447 ( 0.830 -0.825 -4.370) 4.524 25.063 ( 3.143 0.523 4.484) 5.501 26.483 ( -2.807 4.663 8.214) 9.854 26.747 ( -30.870 -1.921 -23.238) 38.686 28.488 ( 19.633 4.948 -9.421) 22.331 29.362 ( -9.306 -1.274 14.407) 17.198 29.409 ( 0.623 0.489 17.090) 17.108 29.914 ( 0.766 -6.549 6.195) 9.047 30.234 ( -2.256 -0.829 3.542) 4.281 30.770 ( -13.612 -12.230 -3.055) 18.552 31.694 ( 1.778 6.528 6.112) 9.117 31.879 ( -0.766 3.832 -4.393) 5.880 33.724 ( 17.661 -3.568 -9.749) 20.487 ======================= Grid point 80 (34/186) ======================= q-point: (-0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -19.649 11.310 33.039) 40.070 3.126 ( -10.473 38.092 4.315) 39.740 3.895 ( 1.302 18.996 -4.951) 19.674 4.225 ( -3.875 0.246 41.290) 41.473 4.557 ( -12.589 -3.699 7.646) 15.187 4.902 ( -2.921 16.909 -0.805) 17.178 5.063 ( -1.300 24.348 7.543) 25.523 5.336 ( 14.076 -21.354 1.555) 25.623 5.843 ( 3.488 3.670 5.814) 7.709 6.226 ( -4.684 -10.602 16.048) 19.796 6.284 ( -1.759 5.864 -1.825) 6.388 6.629 ( -3.610 0.666 -4.670) 5.940 7.097 ( 2.343 5.118 -1.612) 5.855 7.343 ( 1.033 1.713 -1.844) 2.721 7.478 ( -2.164 3.849 -1.986) 4.841 7.813 ( -10.246 -16.573 2.725) 19.674 8.348 ( 7.486 -3.303 3.994) 9.105 8.607 ( 4.394 -0.976 -0.395) 4.518 8.910 ( 3.722 -2.468 11.788) 12.605 9.044 ( -2.856 -5.291 -4.844) 7.721 9.222 ( -3.909 -6.877 0.763) 7.947 9.529 ( -3.259 2.677 -9.982) 10.836 9.747 ( 1.618 2.074 -1.346) 2.955 10.036 ( -0.041 -9.629 -2.049) 9.845 10.632 ( -11.882 3.086 6.828) 14.048 10.920 ( 8.123 9.159 -3.710) 12.792 11.215 ( 6.016 -5.461 3.137) 8.709 11.536 ( -5.844 9.299 -15.398) 18.914 11.840 ( 8.765 5.300 1.492) 10.351 12.214 ( 2.501 0.239 1.783) 3.081 12.272 ( -0.524 11.874 -9.324) 15.107 12.581 ( -0.225 12.109 2.204) 12.310 12.714 ( -5.618 4.560 -11.169) 13.308 12.951 ( -3.937 -5.611 16.864) 18.204 14.092 ( 4.607 -25.405 0.935) 25.836 14.382 ( 0.239 -2.102 5.040) 5.466 14.598 ( 7.959 -2.918 -5.708) 10.219 15.110 ( -0.369 -5.903 -9.873) 11.509 15.387 ( 1.730 -0.176 -0.187) 1.749 15.943 ( -8.384 -7.206 6.788) 12.973 16.274 ( -1.326 -7.922 -1.860) 8.244 16.854 ( 2.755 -1.978 3.118) 4.607 17.034 ( -1.419 0.444 18.836) 18.895 18.111 ( 7.226 -9.590 -16.249) 20.204 19.693 ( 20.737 17.390 1.448) 27.102 20.446 ( -5.048 6.509 -9.874) 12.859 22.076 ( -0.851 2.101 -2.522) 3.391 22.467 ( 2.708 -1.319 -5.329) 6.122 25.126 ( 5.228 1.234 5.817) 7.918 26.263 ( -30.289 -1.606 -19.957) 36.308 26.383 ( -6.305 5.963 6.551) 10.873 28.632 ( 14.557 1.238 -11.842) 18.806 29.312 ( -5.116 1.073 8.761) 10.202 29.521 ( -2.026 -3.882 26.171) 26.535 30.082 ( 3.113 -7.595 6.560) 10.508 30.267 ( 2.477 -2.293 4.929) 5.974 30.734 ( -15.857 -11.537 -3.943) 20.002 31.576 ( 4.118 16.760 2.907) 17.501 31.806 ( -7.252 -3.087 -2.755) 8.349 33.969 ( 20.504 -1.493 -12.057) 23.833 ======================= Grid point 81 (35/186) ======================= q-point: (-0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -2.136 45.940 11.163) 47.325 2.492 ( -20.222 24.560 40.790) 51.730 3.473 ( -3.089 30.752 -13.790) 33.844 4.163 ( -10.030 41.348 19.969) 47.000 4.338 ( -2.551 0.763 27.002) 27.133 4.479 ( -16.091 3.796 19.728) 25.740 5.006 ( 1.118 3.938 10.290) 11.075 5.628 ( -1.651 -5.825 -9.927) 11.628 5.896 ( 3.097 -1.520 7.396) 8.161 6.146 ( -1.218 7.892 0.721) 8.018 6.315 ( -2.045 -0.952 1.654) 2.797 6.728 ( 0.943 -13.814 9.753) 16.936 7.118 ( 6.730 -0.155 -5.729) 8.839 7.345 ( -6.773 -1.525 -4.230) 8.130 7.363 ( 4.859 3.125 -0.782) 5.830 7.974 ( -8.495 -19.414 3.229) 21.436 8.481 ( 1.358 -0.193 -7.010) 7.143 8.681 ( 4.708 -4.035 3.204) 6.980 8.925 ( -6.406 0.586 11.935) 13.558 9.142 ( 9.131 -6.156 -4.110) 11.754 9.347 ( 8.220 -1.264 -0.436) 8.328 9.419 ( -4.201 -5.151 -10.975) 12.831 9.790 ( -5.464 -10.013 2.113) 11.601 10.223 ( 1.205 -10.883 0.917) 10.988 10.454 ( -10.021 3.898 6.217) 12.421 10.744 ( 0.431 18.240 -0.957) 18.271 11.240 ( -7.805 7.751 -15.413) 18.936 11.352 ( 5.852 4.166 3.551) 8.013 11.851 ( 7.871 8.773 -3.326) 12.246 11.914 ( -6.676 14.106 -3.109) 15.912 12.280 ( 4.606 1.573 -0.591) 4.903 12.503 ( 4.668 4.674 -0.420) 6.619 12.611 ( -5.644 -3.759 -5.106) 8.489 13.117 ( 3.155 -6.617 14.477) 16.227 14.317 ( -3.025 4.690 -1.402) 5.754 14.486 ( -3.478 -22.726 1.005) 23.013 14.769 ( 11.555 -4.686 -9.703) 15.800 15.108 ( -1.879 -1.817 -9.970) 10.307 15.600 ( 12.908 -11.474 17.147) 24.337 16.017 ( -5.131 -10.578 4.844) 12.716 16.388 ( -0.427 -10.867 -2.940) 11.265 16.835 ( -4.734 2.434 6.943) 8.749 17.184 ( 8.823 -1.821 13.390) 16.138 18.196 ( -1.210 -5.024 -21.897) 22.499 19.636 ( 9.742 17.816 -5.696) 21.089 20.282 ( -2.430 4.640 -1.529) 5.457 22.005 ( -1.314 3.561 -2.988) 4.830 22.504 ( 3.777 -1.338 -7.982) 8.931 25.219 ( 6.310 0.685 7.054) 9.490 25.844 ( -19.973 0.851 -11.837) 23.233 26.239 ( -4.231 7.204 5.907) 10.231 28.721 ( 6.299 -1.384 -12.377) 13.957 29.271 ( -3.139 1.451 6.822) 7.649 29.670 ( -6.465 -6.872 32.032) 33.393 30.207 ( -1.741 -5.985 1.707) 6.463 30.442 ( 11.565 -2.385 7.703) 14.099 30.667 ( -15.084 -11.139 -1.957) 18.853 31.370 ( -0.013 15.481 1.686) 15.573 31.758 ( -3.479 -1.816 -2.479) 4.642 34.179 ( 17.849 0.482 -19.398) 26.365 ======================= Grid point 82 (36/186) ======================= q-point: (-0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 8.934 43.063 23.910) 50.060 2.008 ( -5.270 40.426 35.917) 54.333 2.866 ( 7.698 52.469 31.030) 61.442 3.779 ( -0.317 11.418 12.104) 16.642 4.256 ( -12.814 2.009 6.742) 14.618 4.451 ( -7.348 -0.338 36.912) 37.638 5.012 ( -4.418 -0.556 13.728) 14.432 5.510 ( -8.509 3.894 -11.597) 14.901 5.825 ( -5.166 6.906 4.799) 9.870 6.091 ( 3.357 6.462 4.688) 8.660 6.337 ( -1.033 -1.192 -0.230) 1.594 6.898 ( -6.679 -7.829 -2.440) 10.576 7.119 ( 0.628 2.389 -3.629) 4.390 7.339 ( -0.993 -8.259 -7.408) 11.139 7.457 ( 12.352 1.061 5.384) 13.516 8.224 ( -4.925 -26.817 -2.497) 27.379 8.378 ( -5.013 2.249 -12.208) 13.387 8.796 ( 3.289 -1.707 6.769) 7.717 8.879 ( -3.390 3.857 10.126) 11.353 9.331 ( 6.345 -1.434 -9.432) 11.457 9.405 ( 12.905 -0.877 -13.093) 18.404 9.598 ( 3.986 -13.832 7.370) 16.172 9.892 ( -4.246 -10.662 1.564) 11.582 10.130 ( -13.078 12.118 6.408) 18.946 10.456 ( -0.495 -9.590 -5.569) 11.101 10.521 ( -0.636 7.336 1.015) 7.433 11.027 ( -1.632 4.444 -5.532) 7.281 11.278 ( 4.167 12.230 -6.075) 14.277 11.658 ( -2.139 11.177 5.997) 12.863 11.808 ( 6.146 10.043 -2.981) 12.146 12.293 ( 1.057 1.646 0.534) 2.028 12.548 ( -4.354 -2.182 0.540) 4.900 12.651 ( 8.427 -6.649 -2.217) 10.961 13.313 ( 4.884 -5.515 15.967) 17.584 14.142 ( -4.035 7.924 -11.495) 14.533 14.716 ( -10.800 -22.000 0.715) 24.518 14.918 ( 7.088 -1.888 -3.263) 8.028 15.094 ( -0.901 -3.679 -1.746) 4.170 15.998 ( 5.196 -7.348 -4.070) 9.878 16.199 ( 0.532 -17.564 27.867) 32.944 16.545 ( 0.150 -11.957 -6.812) 13.762 16.780 ( -1.220 1.609 6.282) 6.599 17.314 ( -13.017 -1.533 8.361) 15.547 18.027 ( 0.130 5.655 -24.824) 25.460 19.391 ( -8.327 13.843 -8.197) 18.115 20.218 ( 2.493 3.803 0.321) 4.558 21.921 ( -0.466 4.020 -3.949) 5.654 22.524 ( 3.116 -0.250 -11.550) 11.966 25.214 ( -7.671 3.445 1.583) 8.557 25.894 ( 36.356 -4.829 6.185) 37.193 26.143 ( 0.981 5.743 8.122) 9.996 28.737 ( -4.029 -5.342 -10.266) 12.254 29.244 ( -2.013 1.308 6.197) 6.646 29.802 ( -14.418 -10.713 34.512) 38.906 30.247 ( -5.087 -4.995 -0.188) 7.132 30.481 ( -8.355 -1.460 0.158) 8.483 30.819 ( 11.293 -6.269 6.165) 14.312 31.190 ( -0.522 7.026 5.929) 9.208 31.749 ( 1.552 -0.171 -3.262) 3.616 34.133 ( -1.994 12.318 -34.296) 36.495 ======================= Grid point 85 (37/186) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 21.163 0.000 22.223) 30.688 2.974 ( 11.320 0.000 33.433) 35.297 3.892 ( -13.574 -0.000 45.340) 47.328 4.129 ( 7.871 0.000 1.932) 8.105 4.278 ( 0.063 0.000 25.200) 25.200 4.736 ( 2.732 0.000 6.967) 7.484 4.834 ( -4.392 -0.000 -0.592) 4.432 5.513 ( 17.202 0.000 21.580) 27.598 5.642 ( 19.921 0.000 6.162) 20.852 5.995 ( 3.133 0.000 -0.731) 3.217 6.227 ( 5.739 0.000 7.846) 9.721 6.770 ( -2.608 -0.000 -15.798) 16.011 7.026 ( 0.917 0.000 -1.708) 1.939 7.399 ( 1.949 0.000 -3.434) 3.949 7.704 ( -16.971 -0.000 -2.833) 17.206 8.102 ( -13.059 -0.000 -2.608) 13.317 8.412 ( 16.519 0.000 2.290) 16.677 8.708 ( 0.962 0.000 -0.558) 1.112 8.884 ( -4.956 -0.000 2.937) 5.761 9.054 ( -6.713 -0.000 -4.085) 7.858 9.204 ( 4.679 0.000 -19.639) 20.189 9.471 ( -0.392 -0.000 -4.091) 4.109 9.942 ( -10.110 -0.000 -14.042) 17.303 10.029 ( 5.725 0.000 -12.904) 14.117 10.761 ( -4.561 -0.000 10.080) 11.064 11.010 ( -0.009 -0.000 2.985) 2.985 11.220 ( 6.906 0.000 -0.995) 6.977 11.657 ( 5.647 0.000 -3.847) 6.833 11.694 ( 6.427 0.000 -1.787) 6.671 11.996 ( 21.618 0.000 7.312) 22.821 12.196 ( -10.288 -0.000 -7.348) 12.643 12.548 ( 9.631 0.000 8.616) 12.922 12.818 ( -4.124 -0.000 15.098) 15.651 13.264 ( -4.991 -0.000 -15.463) 16.248 14.000 ( 7.112 0.000 -8.121) 10.795 14.403 ( -18.989 -0.000 23.135) 29.930 14.664 ( -16.650 -0.000 11.590) 20.286 15.053 ( -7.646 -0.000 -4.578) 8.912 15.343 ( 0.128 0.000 -14.854) 14.854 15.872 ( 1.356 0.000 -5.477) 5.642 16.245 ( -18.671 -0.000 5.777) 19.544 16.742 ( -21.130 -0.000 -0.272) 21.132 17.014 ( -0.464 -0.000 12.513) 12.522 17.515 ( 18.431 0.000 -8.739) 20.397 19.718 ( 19.878 0.000 4.722) 20.431 20.836 ( 9.210 0.000 -11.017) 14.359 22.013 ( 5.093 0.000 -2.271) 5.577 22.427 ( 0.839 0.000 -8.627) 8.667 25.005 ( 1.144 0.000 5.308) 5.430 26.545 ( 1.729 0.000 13.223) 13.335 27.214 ( -24.214 -0.000 -29.733) 38.345 28.595 ( 14.711 0.000 -19.548) 24.465 29.356 ( -0.079 -0.000 13.824) 13.825 29.481 ( -12.715 -0.000 21.355) 24.854 29.716 ( -9.185 -0.000 -1.301) 9.277 30.346 ( -5.212 -0.000 -4.739) 7.044 30.471 ( -12.052 -0.000 14.896) 19.162 31.504 ( -0.736 -0.000 5.372) 5.422 32.266 ( 11.198 0.000 -3.631) 11.772 33.287 ( 18.506 0.000 -4.601) 19.069 ======================= Grid point 86 (38/186) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -11.123 1.459 26.802) 29.055 3.402 ( 14.171 -16.391 14.266) 25.942 4.010 ( -5.325 -4.802 53.126) 53.608 4.212 ( 6.431 1.389 4.637) 8.050 4.307 ( 0.670 6.402 16.953) 18.134 4.820 ( 2.425 2.164 5.921) 6.754 4.871 ( 3.794 -6.891 6.376) 10.126 5.598 ( 2.538 11.814 9.585) 15.424 5.727 ( 4.285 1.799 -2.310) 5.190 6.329 ( 4.708 -18.325 4.599) 19.471 6.477 ( 17.102 4.394 7.750) 19.283 6.645 ( 4.414 -2.453 -9.196) 10.491 6.955 ( -0.704 9.381 -2.148) 9.650 7.396 ( -7.749 -3.587 -3.851) 9.368 7.447 ( -9.538 3.755 -2.497) 10.550 8.073 ( -1.897 -7.737 1.795) 8.166 8.542 ( 2.774 6.245 1.305) 6.957 8.670 ( 10.415 14.030 -2.932) 17.717 8.818 ( -1.736 7.031 2.195) 7.567 8.902 ( 1.214 0.110 -3.900) 4.086 9.147 ( -5.300 1.498 -3.412) 6.479 9.625 ( 2.676 -15.024 -14.170) 20.825 9.748 ( -3.291 0.601 -15.970) 16.316 10.025 ( 1.543 -1.259 -12.305) 12.465 10.618 ( -4.384 10.622 8.794) 14.470 11.037 ( -7.557 2.592 9.888) 12.712 11.365 ( 3.904 -12.984 3.101) 13.909 11.589 ( 1.996 11.557 -7.841) 14.108 11.740 ( 5.290 -1.108 -5.609) 7.789 12.017 ( -0.279 1.620 1.374) 2.143 12.384 ( 11.215 -6.272 -0.193) 12.851 12.764 ( 1.157 -5.772 12.213) 13.558 12.862 ( 5.954 -3.204 6.867) 9.637 13.169 ( -2.707 -2.365 -11.731) 12.269 13.934 ( -8.080 21.432 2.340) 23.024 14.199 ( 2.753 1.778 8.473) 9.084 14.522 ( -13.535 -0.299 8.811) 16.153 14.913 ( -11.359 -3.918 -7.005) 13.909 15.368 ( 2.993 -5.762 -17.820) 18.966 15.953 ( 3.611 -7.769 -2.821) 9.019 16.044 ( -13.450 2.066 11.114) 17.569 16.536 ( -14.240 -4.832 1.102) 15.078 17.042 ( -5.968 -1.047 15.208) 16.371 17.725 ( 16.926 -2.340 -13.112) 21.538 19.960 ( 20.628 6.323 5.984) 22.390 20.830 ( 3.343 5.147 -13.311) 14.658 22.068 ( 3.975 -0.798 -4.157) 5.807 22.411 ( -0.022 -1.221 -5.252) 5.392 25.062 ( 3.446 -0.248 5.549) 6.536 26.580 ( -2.122 1.761 10.943) 11.286 26.750 ( -27.232 0.919 -23.477) 35.966 28.650 ( 12.659 4.706 -16.517) 21.336 29.341 ( -8.423 1.843 17.795) 19.774 29.471 ( 1.355 1.531 13.976) 14.124 29.683 ( -5.816 -8.219 1.556) 10.188 30.243 ( -4.184 1.748 1.862) 4.902 30.449 ( -11.356 -8.408 5.550) 15.181 31.554 ( -1.850 -5.017 4.976) 7.304 32.292 ( 9.929 12.144 -4.626) 16.354 33.547 ( 16.051 -6.088 -6.763) 18.451 ======================= Grid point 87 (39/186) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -20.719 5.364 31.040) 37.703 3.820 ( 2.684 -9.968 4.451) 11.241 4.151 ( -7.999 2.534 40.959) 41.810 4.267 ( 5.361 1.140 4.246) 6.933 4.370 ( 5.298 2.332 19.741) 20.572 4.889 ( 4.895 2.651 11.978) 13.208 5.017 ( 0.501 -7.223 0.645) 7.269 5.559 ( 1.646 -5.836 12.114) 13.546 5.714 ( 4.572 12.310 -8.724) 15.765 6.311 ( -1.066 6.794 0.751) 6.919 6.601 ( 3.641 -0.422 -1.532) 3.973 6.709 ( -4.518 14.543 -0.876) 15.254 6.998 ( 6.708 -18.594 2.597) 19.937 7.280 ( -2.094 0.331 -3.071) 3.732 7.386 ( -3.288 -0.114 -2.813) 4.329 8.082 ( -6.396 11.842 -0.184) 13.460 8.381 ( -3.672 12.335 6.987) 14.644 8.514 ( 5.107 -0.445 -1.984) 5.497 8.858 ( 2.036 0.559 6.017) 6.376 8.989 ( 7.511 0.773 -0.537) 7.570 9.073 ( 0.970 -1.026 -2.171) 2.589 9.581 ( -2.607 0.781 -6.173) 6.746 9.779 ( 1.963 -2.167 -19.298) 19.518 10.097 ( 3.554 -2.549 -8.768) 9.798 10.512 ( -0.830 -2.112 5.063) 5.549 10.830 ( -13.246 4.494 7.187) 15.725 11.492 ( 9.909 10.989 -1.173) 14.843 11.686 ( 2.396 -15.883 -2.028) 16.190 11.724 ( -1.165 -2.215 -6.580) 7.040 12.061 ( 6.160 -1.094 -0.519) 6.278 12.506 ( 2.999 1.962 -1.702) 3.967 12.780 ( -6.565 -0.394 13.577) 15.086 12.961 ( 1.828 6.453 -5.122) 8.440 13.214 ( -1.690 5.211 -1.372) 5.648 13.495 ( -5.575 4.849 6.431) 9.796 14.323 ( 4.567 2.208 3.378) 6.095 14.447 ( -0.209 -6.350 3.164) 7.098 14.865 ( -9.147 -11.810 -5.441) 15.898 15.383 ( 4.468 0.514 -16.367) 16.974 15.917 ( -8.089 3.267 14.997) 17.350 16.097 ( 2.517 -5.635 -3.485) 7.088 16.546 ( -7.365 -15.488 1.706) 17.235 17.023 ( -9.135 -1.114 17.735) 19.981 17.917 ( 14.613 -4.008 -16.673) 22.530 20.130 ( 20.752 11.148 4.207) 23.929 20.673 ( -2.927 8.316 -14.041) 16.579 22.095 ( 1.726 -0.328 -5.597) 5.866 22.419 ( 0.304 -1.916 -2.817) 3.420 25.139 ( 3.909 -0.072 5.863) 7.047 26.294 ( -23.718 2.866 -17.091) 29.375 26.534 ( -4.442 3.703 7.925) 9.810 28.686 ( 10.314 2.288 -14.802) 18.186 29.297 ( -6.571 -0.519 13.107) 14.671 29.535 ( 2.918 2.832 17.053) 17.531 29.788 ( -2.806 -11.952 3.443) 12.750 30.214 ( -1.448 -0.789 5.833) 6.062 30.436 ( -11.272 -8.351 1.157) 14.076 31.620 ( -3.164 -5.651 3.756) 7.487 32.158 ( 6.677 18.186 -4.529) 19.895 33.811 ( 13.676 -7.625 -9.521) 18.325 ======================= Grid point 88 (40/186) ======================= q-point: (-0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -18.104 4.390 38.394) 42.675 3.617 ( -2.107 30.872 2.850) 31.074 4.166 ( -1.779 8.584 19.697) 21.559 4.368 ( -4.463 6.324 30.971) 31.923 4.397 ( -5.891 -3.320 1.779) 6.992 4.935 ( -0.603 -4.191 3.227) 5.324 5.188 ( 1.050 -10.032 -8.054) 12.908 5.495 ( 11.025 17.063 -2.927) 20.525 5.819 ( -1.404 -9.707 9.360) 13.557 6.178 ( -7.792 7.323 15.154) 18.547 6.471 ( 2.276 14.599 2.188) 14.936 6.587 ( 0.338 -0.278 -2.452) 2.491 7.212 ( 3.588 4.609 0.137) 5.842 7.313 ( -4.303 -0.778 -5.141) 6.749 7.367 ( -2.082 -16.242 -0.622) 16.387 7.714 ( -2.153 17.129 2.600) 17.459 8.394 ( 5.646 -4.758 2.255) 7.720 8.547 ( -10.495 -4.934 -3.495) 12.112 8.885 ( 2.388 -0.672 8.712) 9.058 9.019 ( -1.154 0.314 7.609) 7.702 9.197 ( 13.260 -0.518 -5.807) 14.485 9.513 ( -1.704 2.430 -6.300) 6.965 9.797 ( 3.188 -0.760 -9.258) 9.820 9.948 ( -5.475 4.928 -3.752) 8.266 10.559 ( -6.827 0.442 9.877) 12.015 10.894 ( 6.406 -16.853 -5.154) 18.751 11.426 ( 3.903 14.970 4.514) 16.116 11.548 ( -0.258 7.727 -14.531) 16.460 11.966 ( 2.402 -6.274 -1.465) 6.876 12.197 ( 5.285 -5.786 -3.078) 8.419 12.400 ( -0.692 9.754 -7.202) 12.144 12.719 ( -5.899 7.514 4.657) 10.627 12.778 ( 0.063 13.206 -5.656) 14.366 12.925 ( -5.947 6.803 19.530) 21.520 13.738 ( -0.484 -23.771 -4.045) 24.118 14.354 ( -0.786 -3.236 5.438) 6.377 14.622 ( 8.085 -5.193 -4.835) 10.757 14.962 ( 0.298 -10.761 -2.009) 10.951 15.373 ( 2.891 -2.661 -7.952) 8.870 15.857 ( -5.015 1.836 16.302) 17.155 16.178 ( 2.636 -4.830 -5.443) 7.740 16.708 ( -6.106 -12.843 1.300) 14.280 17.027 ( -6.562 -5.520 19.748) 21.530 18.070 ( 10.181 -4.164 -20.812) 23.540 20.170 ( 13.000 17.152 -8.352) 23.085 20.449 ( -3.928 6.447 -4.484) 8.780 22.076 ( -0.046 1.162 -5.322) 5.448 22.449 ( 1.323 -2.305 -3.252) 4.200 25.212 ( 2.298 -0.613 6.470) 6.894 25.935 ( -11.494 4.951 -9.377) 15.638 26.434 ( -4.289 5.510 5.800) 9.077 28.714 ( 5.586 0.330 -15.391) 16.377 29.284 ( -4.368 -0.682 9.736) 10.693 29.607 ( 0.402 1.674 21.917) 21.984 29.950 ( -2.915 -12.425 0.300) 12.766 30.293 ( 1.037 -5.914 9.601) 11.324 30.417 ( -6.116 -5.647 1.569) 8.471 31.662 ( -3.192 -4.398 1.223) 5.570 31.917 ( 2.870 20.515 -3.098) 20.945 34.038 ( 9.794 -8.085 -13.415) 18.473 ======================= Grid point 89 (41/186) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -11.727 6.795 44.728) 46.736 3.080 ( 1.078 41.889 10.369) 43.167 3.908 ( 6.258 29.282 -7.892) 30.966 4.258 ( -17.140 -0.416 19.456) 25.933 4.436 ( -0.892 0.680 22.611) 22.639 4.817 ( -3.515 20.628 3.260) 21.178 5.200 ( 3.007 12.321 11.088) 16.846 5.486 ( -0.849 1.004 -9.281) 9.374 5.750 ( -9.020 -6.191 1.930) 11.109 6.218 ( -6.271 -4.391 9.344) 12.080 6.314 ( 1.360 7.396 2.590) 7.954 6.698 ( 6.428 -4.871 10.717) 13.412 7.179 ( 0.623 2.082 -7.197) 7.518 7.232 ( -1.468 1.532 -3.054) 3.719 7.464 ( 3.216 -4.297 -0.451) 5.386 7.695 ( -0.531 -4.921 6.518) 8.185 8.380 ( -11.807 -1.311 -8.522) 14.621 8.618 ( 4.411 -10.265 2.081) 11.365 8.956 ( -2.903 4.519 12.646) 13.740 9.098 ( 2.649 -13.562 6.893) 15.442 9.362 ( 15.228 0.460 -5.823) 16.310 9.460 ( 3.803 0.896 -8.609) 9.454 9.600 ( -12.922 2.453 -3.146) 13.524 10.068 ( 2.917 -12.894 -3.369) 13.642 10.490 ( -3.379 7.520 11.816) 14.408 11.011 ( 0.435 13.223 -6.032) 14.541 11.225 ( -3.648 8.036 -8.464) 12.228 11.478 ( 9.336 1.136 -2.104) 9.637 11.909 ( -8.387 4.158 -6.126) 11.188 12.151 ( 7.602 12.914 0.816) 15.008 12.379 ( 5.239 1.734 -1.258) 5.660 12.499 ( -6.876 4.916 -8.135) 11.731 12.633 ( 3.243 7.184 -0.382) 7.891 13.057 ( -0.871 -12.136 19.521) 23.002 14.010 ( -6.881 -22.729 -9.929) 25.740 14.370 ( -2.030 2.475 2.103) 3.830 14.773 ( 7.578 -6.248 -6.506) 11.781 15.061 ( -0.939 -1.930 0.351) 2.175 15.594 ( 10.310 -16.699 1.144) 19.659 15.886 ( -2.089 -3.452 18.003) 18.450 16.265 ( 2.372 -5.550 -5.770) 8.350 16.727 ( -9.878 -5.429 4.666) 12.199 17.167 ( -4.608 -8.788 15.496) 18.401 18.100 ( 3.638 -0.648 -25.390) 25.658 19.874 ( -6.812 17.559 -17.132) 25.460 20.379 ( 5.012 6.985 1.672) 8.758 22.024 ( -0.049 2.728 -4.360) 5.144 22.485 ( 1.668 -2.145 -5.530) 6.162 25.244 ( -4.274 -0.548 4.975) 6.582 25.866 ( 16.397 2.478 1.272) 16.632 26.330 ( -1.320 6.255 6.040) 8.794 28.678 ( -1.166 -0.217 -16.230) 16.274 29.276 ( -2.718 0.406 7.851) 8.318 29.669 ( -5.563 -0.465 26.502) 27.084 30.045 ( -5.302 -9.173 -2.825) 10.965 30.350 ( -9.440 -7.313 1.607) 12.049 30.603 ( 14.191 -6.309 12.260) 19.786 31.582 ( -4.419 13.211 -4.306) 14.581 31.735 ( 3.560 2.982 1.964) 5.042 34.155 ( 0.836 -5.859 -19.406) 20.288 ======================= Grid point 90 (42/186) ======================= q-point: (-0.12 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 5.085 25.237 30.909) 40.226 2.647 ( 5.125 32.004 32.945) 46.215 3.621 ( 17.246 22.862 -6.291) 29.320 4.108 ( -16.632 -0.379 14.335) 21.960 4.363 ( 3.383 40.502 24.221) 47.313 4.542 ( -0.638 0.196 26.398) 26.406 5.048 ( -3.885 8.801 12.757) 15.978 5.438 ( -3.045 5.638 -11.425) 13.099 5.688 ( -11.705 -9.716 -0.356) 15.216 6.158 ( -7.068 1.295 -2.937) 7.762 6.356 ( 4.707 -1.184 4.834) 6.850 6.772 ( -4.110 2.868 1.480) 5.226 7.161 ( 0.471 2.218 -7.701) 8.028 7.240 ( 5.423 -3.947 3.393) 7.517 7.669 ( 14.478 -0.579 2.157) 14.650 7.783 ( -8.194 -18.461 3.975) 20.586 8.255 ( -6.286 -3.011 -9.550) 11.824 8.736 ( -4.662 -4.859 6.070) 9.066 8.902 ( -6.343 -0.290 8.121) 10.308 9.278 ( -5.810 0.178 -12.427) 13.719 9.441 ( 1.815 -6.207 5.216) 8.308 9.582 ( 8.308 -5.172 -2.276) 10.048 9.685 ( 15.192 -18.755 1.254) 24.168 10.243 ( -5.024 -8.886 -3.214) 10.702 10.263 ( -4.039 15.712 3.106) 16.517 10.718 ( 0.527 18.745 -5.580) 19.565 11.081 ( 1.771 2.978 -3.427) 4.873 11.512 ( 6.763 11.983 -7.039) 15.456 11.763 ( -2.810 2.632 5.083) 6.377 12.057 ( 5.569 13.298 -1.657) 14.512 12.317 ( -2.287 0.998 -4.442) 5.095 12.468 ( 0.737 -0.705 -0.658) 1.214 12.670 ( 7.881 -4.109 -0.189) 8.890 13.295 ( -0.877 -10.397 17.874) 20.696 14.060 ( -9.188 -5.916 -23.060) 25.519 14.318 ( -7.044 -4.903 6.339) 10.670 14.931 ( 3.194 -4.910 0.214) 5.861 15.053 ( -2.579 -1.988 2.802) 4.297 15.859 ( -2.009 -8.708 -7.262) 11.515 16.141 ( 6.030 -12.195 23.377) 27.048 16.376 ( 3.493 -9.277 -5.933) 11.552 16.712 ( -7.508 -6.134 7.108) 12.022 17.101 ( -20.124 5.882 5.829) 21.762 18.069 ( 8.096 -1.186 -19.798) 21.422 19.398 ( -15.505 16.084 -13.874) 26.298 20.380 ( 10.083 5.213 -1.469) 11.446 21.969 ( 1.586 3.593 -3.305) 5.133 22.503 ( 1.642 -1.071 -8.178) 8.410 25.162 ( -7.395 2.025 3.774) 8.546 26.243 ( 10.387 0.744 5.141) 11.614 26.395 ( 36.662 -6.733 6.927) 37.914 28.548 ( -9.352 -0.724 -16.252) 18.765 29.267 ( -1.731 1.147 7.528) 7.809 29.684 ( -12.617 -1.828 29.166) 31.830 30.062 ( -7.244 -6.360 -3.174) 10.149 30.339 ( -5.731 -3.911 2.923) 7.529 30.955 ( 15.090 -6.119 8.544) 18.389 31.318 ( -3.263 10.555 0.937) 11.087 31.792 ( 6.056 0.402 -0.669) 6.106 34.002 ( -12.914 4.922 -24.797) 28.388 ======================= Grid point 94 (43/186) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -17.923 -0.000 34.524) 38.899 3.426 ( 5.309 0.000 7.299) 9.026 4.144 ( -5.501 -0.000 50.246) 50.547 4.319 ( 5.530 0.000 1.478) 5.724 4.390 ( -1.658 -0.000 22.298) 22.360 4.894 ( 1.860 0.000 7.100) 7.339 4.914 ( 3.554 0.000 7.710) 8.490 5.792 ( 7.357 0.000 4.711) 8.736 5.860 ( -0.926 -0.000 0.604) 1.106 6.176 ( 7.662 0.000 3.601) 8.466 6.566 ( 0.880 0.000 -16.584) 16.607 6.763 ( 2.761 0.000 2.241) 3.556 7.036 ( 0.423 0.000 -1.634) 1.688 7.245 ( -2.072 -0.000 5.121) 5.524 7.402 ( -4.087 -0.000 -2.175) 4.630 8.005 ( 0.082 0.000 2.700) 2.701 8.622 ( -0.495 -0.000 -0.880) 1.009 8.807 ( -8.312 -0.000 -2.412) 8.655 8.888 ( -1.058 -0.000 10.588) 10.640 8.984 ( 18.589 0.000 -3.705) 18.954 9.218 ( 15.788 0.000 -23.819) 28.576 9.464 ( 4.125 0.000 -6.683) 7.853 9.640 ( -2.214 -0.000 -12.953) 13.141 9.983 ( -1.987 -0.000 -8.739) 8.962 10.657 ( -6.931 -0.000 8.208) 10.743 11.010 ( -4.728 -0.000 10.866) 11.850 11.244 ( -8.712 -0.000 1.320) 8.811 11.651 ( -5.253 -0.000 -2.020) 5.628 11.723 ( 2.640 0.000 -5.666) 6.251 12.005 ( 4.106 0.000 -5.728) 7.048 12.457 ( 3.341 0.000 4.070) 5.266 12.864 ( 6.349 0.000 3.455) 7.228 12.924 ( 6.906 0.000 6.439) 9.442 13.098 ( -0.922 -0.000 -5.109) 5.192 13.991 ( -14.212 -0.000 5.679) 15.304 14.319 ( 7.609 0.000 6.356) 9.914 14.324 ( -13.439 -0.000 8.920) 16.130 14.814 ( -1.163 -0.000 -4.288) 4.443 15.278 ( 5.253 0.000 -16.586) 17.398 15.955 ( 7.970 0.000 -5.580) 9.729 15.984 ( -6.766 -0.000 14.074) 15.616 16.286 ( -15.993 -0.000 -1.088) 16.030 16.998 ( -9.896 -0.000 16.407) 19.160 17.860 ( 14.386 0.000 -15.921) 21.457 20.294 ( 19.051 0.000 6.006) 19.975 20.824 ( -1.712 -0.000 -15.046) 15.144 22.085 ( 3.263 0.000 -8.330) 8.946 22.381 ( -0.469 -0.000 -2.311) 2.358 25.136 ( 3.747 0.000 6.053) 7.119 26.353 ( -20.210 -0.000 -17.770) 26.911 26.587 ( -4.863 -0.000 8.746) 10.007 28.732 ( 6.938 0.000 -16.940) 18.306 29.323 ( -8.068 -0.000 16.561) 18.422 29.536 ( -4.383 -0.000 -0.505) 4.411 29.590 ( 4.302 0.000 15.565) 16.149 30.221 ( -1.791 -0.000 1.823) 2.555 30.290 ( -9.309 -0.000 9.229) 13.108 31.523 ( -1.192 -0.000 4.798) 4.943 32.477 ( 7.659 0.000 -7.343) 10.611 33.658 ( 11.992 0.000 -7.287) 14.033 ======================= Grid point 95 (44/186) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -17.388 7.303 36.589) 41.164 3.636 ( 0.399 -16.763 6.212) 17.882 4.188 ( -12.970 -0.432 34.399) 36.765 4.359 ( 1.060 2.547 0.825) 2.880 4.506 ( -1.312 -0.520 28.834) 28.869 4.926 ( -0.203 -2.710 0.713) 2.809 5.034 ( 0.816 -3.222 10.992) 11.484 5.597 ( -4.848 13.806 7.444) 16.417 5.976 ( 13.451 3.990 -1.860) 14.153 6.355 ( -0.464 -0.506 -3.277) 3.348 6.503 ( -1.469 -1.214 -1.728) 2.572 6.806 ( 1.520 -13.423 -3.809) 14.035 6.933 ( 0.751 12.185 -1.221) 12.269 7.274 ( -3.531 -1.214 -4.298) 5.693 7.360 ( 1.848 1.716 2.997) 3.917 8.059 ( -1.637 -4.794 1.978) 5.439 8.532 ( -3.369 5.008 -6.162) 8.625 8.591 ( -4.502 16.248 3.444) 17.208 8.876 ( -5.996 -0.010 8.131) 10.102 9.192 ( 14.876 4.535 -3.178) 15.873 9.255 ( 18.872 9.175 -6.891) 22.087 9.549 ( 1.677 -0.862 -2.303) 2.977 9.717 ( 8.388 -4.636 -18.833) 21.131 9.933 ( -1.832 -9.746 -7.841) 12.642 10.586 ( -2.344 4.330 8.997) 10.256 10.796 ( -13.726 12.694 5.776) 19.568 11.344 ( -3.002 -24.020 0.211) 24.208 11.614 ( -2.515 -3.665 -7.746) 8.931 11.744 ( 5.544 3.702 3.321) 7.448 12.078 ( 4.180 -2.674 -4.346) 6.596 12.455 ( -6.553 -1.286 2.236) 7.043 12.845 ( -1.505 5.044 1.280) 5.417 13.039 ( 3.991 2.370 -2.022) 5.063 13.168 ( 5.312 -8.619 -1.094) 10.184 13.645 ( -12.259 20.634 12.352) 26.993 14.341 ( -4.173 -7.092 9.581) 12.629 14.468 ( 5.189 -5.176 -1.227) 7.431 14.698 ( 3.477 9.760 1.487) 10.467 15.371 ( 5.489 -4.487 -13.737) 15.458 15.958 ( -4.074 2.000 13.805) 14.532 16.064 ( 4.394 -2.568 -7.342) 8.934 16.202 ( -6.431 -14.663 0.163) 16.012 16.927 ( -12.949 -1.735 17.815) 22.092 17.967 ( 10.217 -2.254 -18.869) 21.575 20.511 ( 15.747 4.813 4.123) 16.975 20.653 ( -6.741 6.475 -16.819) 19.242 22.082 ( 2.084 -0.308 -10.850) 11.053 22.383 ( -0.317 -1.672 -0.379) 1.744 25.198 ( 1.275 -0.250 5.872) 6.014 26.079 ( -7.381 3.606 -10.931) 13.674 26.537 ( -5.168 1.564 6.167) 8.197 28.727 ( 3.767 0.423 -16.013) 16.456 29.279 ( -5.109 1.075 11.880) 12.977 29.570 ( -3.669 -10.157 0.111) 10.800 29.695 ( 3.327 2.660 18.695) 19.174 30.209 ( -4.798 -0.348 7.811) 9.173 30.272 ( -1.038 -3.910 6.158) 7.368 31.545 ( -1.751 -2.696 3.972) 5.110 32.434 ( 4.434 11.867 -7.961) 14.962 33.797 ( 6.885 -6.417 -9.802) 13.589 ======================= Grid point 96 (45/186) ======================= q-point: (-0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -10.527 5.651 37.875) 39.715 3.841 ( -0.905 -1.505 4.716) 5.032 4.164 ( -17.162 -6.189 30.439) 35.488 4.309 ( -2.517 -0.312 -1.545) 2.970 4.516 ( -8.989 6.393 24.281) 26.669 4.931 ( -4.533 -1.281 1.624) 4.983 5.031 ( 1.615 3.905 -5.319) 6.793 5.553 ( -6.639 -8.061 12.416) 16.224 5.985 ( 9.353 12.367 -3.758) 15.954 6.222 ( -4.577 6.535 6.457) 10.264 6.587 ( 6.223 -0.522 -0.346) 6.255 6.728 ( -1.078 12.216 0.291) 12.267 7.079 ( -1.296 -17.092 0.550) 17.150 7.202 ( -3.744 -2.989 -7.896) 9.236 7.355 ( 3.422 5.841 1.338) 6.901 8.030 ( 2.424 12.703 3.331) 13.354 8.327 ( -8.744 4.385 1.575) 9.908 8.434 ( 2.125 3.455 -1.711) 4.403 8.846 ( -5.141 -3.337 6.207) 8.723 9.196 ( 4.933 7.900 3.878) 10.089 9.430 ( 18.943 3.577 -5.223) 19.973 9.498 ( -4.364 4.829 -1.170) 6.613 9.769 ( 6.374 -4.941 -5.197) 9.594 9.935 ( -5.222 9.459 -14.610) 18.171 10.567 ( 0.804 -0.891 10.506) 10.574 10.717 ( 2.043 -12.046 1.464) 12.305 11.514 ( -3.130 0.971 -8.898) 9.483 11.681 ( 0.896 -8.321 -4.598) 9.549 11.797 ( 4.220 -0.720 2.492) 4.953 12.127 ( 0.113 -6.002 -6.489) 8.840 12.390 ( -6.489 -2.030 2.893) 7.389 12.708 ( -9.447 4.044 -0.642) 10.296 12.973 ( 3.664 11.386 -2.004) 12.127 13.225 ( 1.151 23.799 13.024) 27.154 13.427 ( -0.291 -13.823 -3.207) 14.193 14.360 ( 0.982 1.916 3.814) 4.380 14.612 ( 3.718 -6.519 1.377) 7.630 14.820 ( 4.435 -12.227 7.631) 15.079 15.356 ( 1.121 1.734 -9.789) 10.005 15.943 ( -1.552 3.056 15.414) 15.790 16.137 ( 5.957 -4.238 -10.231) 12.575 16.413 ( -3.906 -16.197 0.727) 16.677 16.897 ( -10.302 -6.898 19.107) 22.777 18.025 ( 4.579 -3.370 -21.851) 22.578 20.327 ( -11.065 11.845 -17.930) 24.171 20.601 ( 10.329 7.793 0.760) 12.961 22.064 ( 1.465 -0.030 -9.763) 9.872 22.412 ( 0.185 -2.547 -1.221) 2.830 25.219 ( -3.039 -0.790 5.158) 6.039 25.996 ( 10.888 5.383 -3.227) 12.568 26.469 ( -3.170 2.946 4.656) 6.357 28.681 ( -0.209 0.195 -16.616) 16.619 29.267 ( -3.134 -0.438 9.375) 9.894 29.677 ( -4.543 -8.504 3.570) 10.281 29.765 ( 0.205 0.127 17.191) 17.193 30.188 ( -5.044 -2.816 4.531) 7.342 30.428 ( 7.476 -6.037 12.828) 16.027 31.580 ( -1.748 -3.447 2.051) 4.376 32.210 ( 0.703 18.178 -6.590) 19.348 33.919 ( 0.973 -8.952 -13.685) 16.382 ======================= Grid point 97 (46/186) ======================= q-point: (-0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -2.000 3.185 38.028) 38.213 3.630 ( -2.136 26.050 8.031) 27.343 4.089 ( -18.817 -0.843 18.862) 26.657 4.239 ( -5.483 7.581 6.451) 11.364 4.483 ( -1.436 -3.493 15.268) 15.728 4.896 ( -1.231 7.451 -1.622) 7.724 5.016 ( -7.170 -17.868 -4.980) 19.887 5.589 ( -7.581 -3.163 5.342) 9.799 5.796 ( -1.182 19.321 -1.117) 19.390 6.193 ( -1.367 3.502 10.769) 11.406 6.443 ( -1.416 12.038 2.083) 12.299 6.747 ( 3.020 -3.729 5.682) 7.437 7.157 ( -1.369 -1.320 -1.914) 2.698 7.277 ( -1.302 -7.028 -4.370) 8.378 7.349 ( 6.337 0.107 2.143) 6.690 7.925 ( 10.887 14.747 9.464) 20.629 8.159 ( -11.371 -0.592 -3.503) 11.913 8.512 ( 1.342 -8.677 -1.729) 8.949 8.878 ( -6.247 -4.344 5.078) 9.148 9.190 ( 4.651 2.618 12.488) 13.581 9.328 ( -13.443 0.009 0.268) 13.445 9.565 ( 2.493 6.752 -14.246) 15.961 9.669 ( 17.613 10.396 -5.240) 21.113 9.938 ( 4.398 -8.315 -3.335) 9.980 10.627 ( 1.571 3.763 13.462) 14.066 10.987 ( 2.001 -11.688 -3.467) 12.354 11.311 ( -5.119 13.344 -7.740) 16.254 11.635 ( 1.198 3.886 -7.065) 8.151 11.826 ( 0.842 2.112 -1.237) 2.589 12.235 ( -0.588 -7.450 -7.884) 10.863 12.358 ( -4.152 0.788 -3.682) 5.605 12.497 ( -9.775 2.086 0.285) 9.999 12.887 ( 9.667 10.441 -1.800) 14.342 13.014 ( -1.271 8.148 17.078) 18.965 13.645 ( 1.060 -14.791 -7.191) 16.480 14.383 ( 0.569 0.321 0.833) 1.059 14.749 ( 2.572 -5.608 3.565) 7.125 14.982 ( -5.271 -3.961 2.038) 6.901 15.481 ( 9.496 -13.303 -1.664) 16.429 15.983 ( 3.927 1.204 19.023) 19.461 16.222 ( 4.672 -2.812 -9.317) 10.796 16.503 ( -8.682 -8.979 1.934) 12.638 17.015 ( -6.413 -9.728 15.342) 19.265 17.999 ( 0.390 -2.993 -22.510) 22.712 19.876 ( -15.356 15.520 -17.040) 27.695 20.584 ( 7.035 8.222 -3.287) 11.309 22.043 ( 1.914 0.997 -6.929) 7.258 22.446 ( 0.633 -2.514 -3.209) 4.126 25.181 ( -6.685 -0.479 3.819) 7.714 26.211 ( 27.042 1.103 1.922) 27.133 26.429 ( 3.244 2.993 5.722) 7.226 28.561 ( -6.129 1.032 -18.075) 19.114 29.277 ( -2.307 -0.519 8.616) 8.934 29.692 ( -8.536 0.297 19.345) 21.147 29.851 ( -1.803 -6.120 3.690) 7.370 30.204 ( -2.640 -4.128 2.866) 5.676 30.733 ( 12.428 -8.339 14.947) 21.151 31.596 ( -1.901 0.673 -2.173) 2.965 31.928 ( 0.372 14.627 -2.131) 14.786 33.938 ( -6.467 -6.748 -17.891) 20.185 ======================= Grid point 98 (47/186) ======================= q-point: (-0.12 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 5.054 5.383 34.782) 35.557 3.275 ( 3.214 24.920 16.355) 29.980 3.913 ( -16.029 -0.512 8.713) 18.251 4.082 ( 1.249 14.831 11.673) 18.915 4.558 ( -0.277 -2.272 1.482) 2.726 4.742 ( -3.543 10.980 13.341) 17.638 5.246 ( -9.626 -23.296 0.709) 25.216 5.465 ( -0.979 10.890 -0.327) 10.939 5.483 ( -2.912 17.355 10.944) 20.723 6.076 ( -4.106 6.245 -0.742) 7.511 6.378 ( 0.499 -0.870 1.737) 2.006 6.858 ( 1.845 2.538 7.172) 7.829 7.141 ( -0.256 -0.202 -1.421) 1.458 7.304 ( 3.285 -1.698 -5.179) 6.363 7.505 ( 0.679 -9.006 1.989) 9.248 7.924 ( 10.000 9.202 9.661) 16.673 8.078 ( -5.319 -5.164 -0.240) 7.418 8.617 ( -4.345 -5.380 -0.244) 6.920 8.809 ( -8.483 -0.929 6.799) 10.911 9.093 ( -14.902 1.356 -5.915) 16.090 9.393 ( 6.332 -8.516 6.074) 12.227 9.532 ( 5.435 -5.604 -5.160) 9.358 9.866 ( 20.889 0.574 -1.129) 20.927 10.058 ( -1.703 -6.439 -2.935) 7.279 10.476 ( -5.591 19.259 0.536) 20.062 10.942 ( 0.702 9.307 -1.528) 9.458 11.115 ( -1.588 4.267 -3.688) 5.859 11.692 ( 1.632 -6.956 1.175) 7.241 11.754 ( 3.326 10.132 -1.532) 10.774 12.145 ( -9.796 -0.238 -11.171) 14.859 12.264 ( 1.135 3.179 -3.704) 5.012 12.520 ( 6.277 -5.062 -3.662) 8.857 12.839 ( 9.613 12.259 4.887) 16.328 13.119 ( -6.609 -14.863 12.697) 20.635 13.770 ( -1.071 -5.843 -10.768) 12.298 14.327 ( -1.044 5.591 -2.497) 6.212 14.844 ( -7.972 -6.052 7.536) 12.529 14.981 ( 0.122 -4.554 1.655) 4.847 15.694 ( -0.987 -6.781 -5.902) 9.044 16.185 ( 6.043 -2.883 11.454) 13.267 16.327 ( 8.216 -6.833 -0.282) 10.690 16.520 ( -8.166 -7.441 4.542) 11.945 16.986 ( -12.643 2.679 7.732) 15.060 18.030 ( 6.285 -6.240 -14.850) 17.291 19.367 ( -14.549 15.243 -12.351) 24.425 20.562 ( 8.056 4.485 -6.971) 11.558 22.029 ( 2.978 2.090 -4.038) 5.435 22.471 ( 0.892 -1.727 -4.951) 5.319 25.103 ( -6.693 0.488 2.972) 7.339 26.363 ( 2.175 1.679 6.236) 6.814 26.819 ( 39.879 -7.690 0.583) 40.618 28.334 ( -13.129 1.942 -17.817) 22.217 29.290 ( -1.764 0.159 8.976) 9.149 29.626 ( -12.953 1.361 24.134) 27.424 29.907 ( -2.466 -3.925 1.123) 4.769 30.249 ( -1.654 -3.591 2.875) 4.888 31.076 ( 11.760 -7.758 10.478) 17.558 31.409 ( -6.013 11.373 -3.264) 13.272 31.896 ( 7.046 0.605 1.406) 7.210 33.784 ( -11.087 0.398 -19.774) 22.673 ======================= Grid point 103 (48/186) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -11.790 -0.000 40.484) 42.166 3.490 ( -3.267 -0.000 3.233) 4.596 4.073 ( -21.600 -0.000 27.344) 34.846 4.367 ( -2.760 -0.000 -2.604) 3.795 4.601 ( -5.751 -0.000 34.038) 34.520 4.914 ( -3.222 -0.000 4.538) 5.565 4.979 ( -2.856 -0.000 4.559) 5.380 5.719 ( -4.657 -0.000 3.030) 5.555 6.128 ( 3.420 0.000 4.198) 5.415 6.245 ( -2.244 -0.000 -1.439) 2.666 6.657 ( 6.809 0.000 1.327) 6.937 6.681 ( 9.622 0.000 -2.054) 9.838 7.032 ( 0.763 0.000 -1.525) 1.705 7.092 ( -13.360 -0.000 -12.659) 18.405 7.449 ( 3.494 0.000 6.019) 6.960 8.010 ( -1.049 -0.000 2.116) 2.362 8.487 ( -4.340 -0.000 -10.874) 11.708 8.716 ( 3.060 0.000 2.553) 3.985 8.800 ( -7.415 -0.000 4.539) 8.694 9.362 ( 4.435 0.000 -6.081) 7.526 9.518 ( 5.608 0.000 -7.065) 9.020 9.608 ( 5.809 0.000 -0.165) 5.811 9.791 ( 29.337 0.000 -13.623) 32.346 9.827 ( -3.648 -0.000 -1.253) 3.857 10.615 ( -1.231 -0.000 10.591) 10.663 10.865 ( -15.821 -0.000 18.583) 24.406 10.976 ( -1.805 -0.000 -9.646) 9.813 11.508 ( -0.872 -0.000 -9.326) 9.366 11.842 ( 4.303 0.000 -0.449) 4.326 12.119 ( 3.933 0.000 -0.137) 3.935 12.351 ( -8.239 -0.000 -1.370) 8.352 12.783 ( -7.925 -0.000 -8.094) 11.328 13.126 ( 3.877 0.000 1.274) 4.081 13.173 ( 4.786 0.000 3.684) 6.040 13.798 ( -2.131 -0.000 16.974) 17.107 14.233 ( -0.505 -0.000 11.962) 11.973 14.458 ( 1.373 0.000 -5.881) 6.039 14.968 ( 3.631 0.000 13.085) 13.579 15.310 ( 6.339 0.000 -14.464) 15.792 15.810 ( -12.592 -0.000 -1.878) 12.732 16.117 ( 4.876 0.000 9.749) 10.901 16.144 ( 8.694 0.000 -7.854) 11.716 16.802 ( -14.194 -0.000 17.572) 22.589 17.966 ( 4.858 0.000 -20.338) 20.910 20.497 ( -12.098 -0.000 -11.979) 17.025 20.748 ( 11.825 0.000 -3.914) 12.456 22.052 ( 1.961 0.000 -14.445) 14.577 22.368 ( -0.096 -0.000 0.745) 0.751 25.207 ( -3.156 -0.000 4.716) 5.674 26.094 ( 10.349 0.000 -5.814) 11.870 26.506 ( -4.222 -0.000 4.626) 6.263 28.685 ( 0.083 0.000 -16.329) 16.329 29.274 ( -4.767 -0.000 11.289) 12.254 29.463 ( -0.131 -0.000 -1.193) 1.200 29.838 ( 1.265 0.000 22.557) 22.593 30.158 ( -4.166 -0.000 5.162) 6.633 30.312 ( 3.624 0.000 11.871) 12.411 31.520 ( -1.793 -0.000 3.817) 4.217 32.524 ( 1.325 0.000 -10.269) 10.354 33.751 ( 0.425 0.000 -11.001) 11.009 ======================= Grid point 104 (49/186) ======================= q-point: (-0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -4.712 7.002 33.465) 34.513 3.614 ( -7.619 -22.001 5.423) 23.906 3.887 ( -26.956 -4.010 24.841) 36.876 4.268 ( -5.915 3.240 -2.178) 7.087 4.560 ( -11.597 7.430 24.340) 27.967 4.876 ( -2.844 0.512 2.729) 3.975 5.047 ( -3.163 -8.084 5.452) 10.250 5.549 ( -5.919 11.272 9.839) 16.090 6.028 ( -6.310 4.301 -0.066) 7.637 6.344 ( 0.275 -4.662 -0.884) 4.754 6.707 ( -4.227 2.934 0.584) 5.178 6.796 ( 1.257 3.949 -2.908) 5.063 6.878 ( 3.475 -2.002 -1.606) 4.320 7.104 ( 4.850 -5.921 -2.737) 8.128 7.481 ( 2.426 3.487 4.606) 6.266 8.031 ( -1.349 -3.451 -0.230) 3.713 8.340 ( -3.439 5.600 -9.430) 11.494 8.707 ( 8.141 13.017 5.990) 16.480 8.754 ( -5.228 -2.854 4.510) 7.471 9.206 ( -13.208 2.543 -2.436) 13.669 9.592 ( -1.320 12.347 2.742) 12.716 9.643 ( 14.860 -0.446 -16.471) 22.189 9.797 ( 5.543 -1.799 2.311) 6.270 10.124 ( 22.357 5.179 -7.038) 24.004 10.566 ( -8.226 4.666 8.870) 12.966 10.684 ( 2.353 -0.990 10.679) 10.980 11.242 ( -2.431 -23.129 -1.398) 23.299 11.510 ( -0.279 -5.936 -11.111) 12.601 11.884 ( 2.199 -1.984 -2.623) 3.956 12.093 ( -1.455 3.374 -4.343) 5.689 12.251 ( -8.377 -2.892 -2.461) 9.198 12.619 ( -7.906 6.033 -2.649) 10.291 13.141 ( -0.561 6.289 1.388) 6.465 13.288 ( 4.993 -8.591 4.080) 10.742 13.670 ( 3.296 22.599 10.649) 25.199 14.392 ( -1.817 -2.803 3.960) 5.181 14.534 ( 5.666 -13.867 7.941) 16.955 14.873 ( -0.286 11.623 8.572) 14.445 15.366 ( 4.651 -0.187 -10.012) 11.041 15.843 ( -2.656 -15.123 2.469) 15.552 16.198 ( 6.066 0.507 -4.144) 7.364 16.259 ( 4.015 -2.704 4.921) 6.902 16.747 ( -8.598 -5.623 15.918) 18.945 17.923 ( -0.370 -1.716 -21.234) 21.306 20.221 ( -14.387 6.682 -12.681) 20.309 20.806 ( 6.464 5.460 -6.249) 10.519 22.025 ( 1.822 -1.436 -13.655) 13.851 22.384 ( 0.751 -1.263 -0.500) 1.552 25.160 ( -6.743 -0.592 3.278) 7.521 26.295 ( 24.884 3.051 -1.610) 25.122 26.475 ( -1.784 0.198 3.522) 3.953 28.590 ( -3.419 0.717 -17.505) 17.850 29.261 ( -3.256 -0.159 9.163) 9.726 29.527 ( 1.454 -6.165 -0.069) 6.335 29.895 ( -3.152 4.001 25.225) 25.734 30.151 ( -0.084 0.484 4.602) 4.628 30.485 ( 6.514 -7.300 15.757) 18.547 31.526 ( -1.732 -2.276 2.813) 4.011 32.386 ( -2.242 11.462 -9.911) 15.318 33.716 ( -5.362 -6.287 -14.006) 16.261 ======================= Grid point 105 (50/186) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -0.488 -0.057 24.429) 24.434 3.667 ( -30.791 -2.935 21.540) 37.691 3.833 ( -10.608 -15.462 0.422) 18.756 4.193 ( -1.415 -2.428 5.319) 6.016 4.352 ( -15.100 2.014 20.138) 25.250 4.845 ( -3.397 0.474 4.726) 5.840 5.064 ( 3.626 8.262 -0.906) 9.068 5.419 ( -14.477 -3.591 16.017) 21.886 5.877 ( -6.584 4.700 -1.980) 8.328 6.350 ( 3.073 5.381 -3.720) 7.227 6.463 ( -13.424 -1.834 -0.773) 13.571 6.807 ( 0.688 7.111 0.001) 7.144 6.999 ( 1.800 -9.199 8.466) 12.631 7.269 ( 9.238 -0.256 -3.284) 9.808 7.479 ( 4.062 3.514 1.987) 5.727 8.031 ( -3.069 0.199 -2.589) 4.020 8.238 ( 2.379 0.826 -0.406) 2.551 8.604 ( 6.394 17.758 10.651) 21.672 8.773 ( -3.827 -3.133 0.162) 4.948 9.055 ( -10.804 -6.641 -0.046) 12.682 9.375 ( -4.820 10.085 7.429) 13.421 9.686 ( 6.379 8.861 -14.846) 18.428 9.928 ( 10.186 -1.087 -6.415) 12.086 10.116 ( 16.661 16.815 4.147) 24.032 10.697 ( 1.058 -7.542 10.814) 13.227 10.813 ( 2.210 -11.164 5.067) 12.458 11.292 ( -11.972 1.292 -12.219) 17.155 11.560 ( 3.306 -2.554 -8.958) 9.884 11.975 ( 3.436 -1.588 4.229) 5.676 12.024 ( -4.027 -3.715 -15.024) 15.992 12.214 ( -9.320 -9.293 6.222) 14.558 12.386 ( -6.328 6.859 -2.121) 9.570 12.978 ( -5.639 5.575 -3.216) 8.557 13.404 ( 2.358 20.636 2.904) 20.973 13.562 ( 13.248 -6.820 3.684) 15.349 14.399 ( -1.073 -0.553 2.884) 3.127 14.729 ( -3.977 2.694 13.546) 14.373 14.854 ( 0.101 -8.423 -0.545) 8.441 15.473 ( 10.245 -4.722 -4.254) 12.057 16.067 ( 5.690 -10.119 8.927) 14.644 16.225 ( -0.109 -2.331 -2.990) 3.793 16.345 ( 2.748 -0.110 5.104) 5.798 16.868 ( -2.698 -9.226 11.432) 14.936 17.848 ( -1.840 -4.266 -19.047) 19.605 19.823 ( -15.157 13.663 -11.852) 23.598 20.736 ( 2.851 6.722 -9.277) 11.806 22.030 ( 2.202 -2.160 -9.839) 10.311 22.414 ( 1.401 -1.606 -2.359) 3.179 25.087 ( -7.411 -1.133 2.159) 7.802 26.413 ( -0.825 1.661 3.398) 3.871 26.718 ( 34.751 -0.712 -0.571) 34.763 28.411 ( -8.575 2.918 -18.648) 20.732 29.270 ( -2.644 -1.092 8.605) 9.068 29.625 ( -1.036 -3.246 5.755) 6.688 29.883 ( -3.636 3.735 22.075) 22.683 30.171 ( 0.885 -0.372 3.558) 3.685 30.805 ( 9.222 -10.798 17.144) 22.261 31.563 ( -0.321 -2.734 0.411) 2.783 32.099 ( -4.170 14.232 -6.504) 16.194 33.656 ( -9.361 -7.476 -17.244) 20.997 ======================= Grid point 106 (51/186) ======================= q-point: (-0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -0.092 -5.584 19.284) 20.076 3.343 ( -28.358 -1.338 11.501) 30.631 3.824 ( -2.216 -2.241 -6.957) 7.637 4.089 ( -16.434 4.578 37.657) 41.341 4.566 ( 0.946 -17.887 8.556) 19.850 4.816 ( -4.748 -6.051 -0.122) 7.692 4.981 ( 5.208 10.589 6.371) 13.411 5.322 ( -15.411 -2.711 7.244) 17.243 5.702 ( -3.906 6.864 -1.145) 7.980 6.275 ( 5.572 11.856 -1.718) 13.212 6.372 ( -6.123 0.383 7.643) 9.801 6.789 ( -4.881 -9.179 -0.608) 10.414 7.131 ( 0.642 -1.537 6.331) 6.546 7.308 ( 5.333 2.545 -4.922) 7.690 7.469 ( -1.079 0.761 -6.142) 6.283 8.013 ( 1.489 -1.371 6.251) 6.571 8.286 ( 5.884 11.201 10.636) 16.529 8.531 ( 1.658 0.438 3.488) 3.887 8.710 ( -5.670 0.559 -1.051) 5.794 8.981 ( -7.583 4.481 3.106) 9.340 9.370 ( 1.343 -8.817 7.052) 11.370 9.562 ( 6.524 6.419 -11.711) 14.863 10.003 ( 5.306 1.726 -11.351) 12.649 10.169 ( 10.318 7.622 8.175) 15.211 10.657 ( -5.404 14.609 -1.091) 15.615 10.969 ( -3.556 0.246 1.844) 4.013 11.085 ( -3.880 -6.593 1.863) 7.874 11.591 ( 0.577 -3.276 -3.312) 4.694 11.901 ( -8.805 -0.681 -11.154) 14.227 11.990 ( 6.622 4.803 -3.747) 8.998 12.243 ( -4.265 -4.539 2.190) 6.602 12.425 ( 2.477 -11.233 -4.864) 12.489 12.896 ( -4.433 -5.882 -2.963) 7.939 13.166 ( -0.328 15.062 3.221) 15.406 13.808 ( 14.265 1.637 1.163) 14.406 14.376 ( -1.562 3.057 0.463) 3.464 14.665 ( -8.960 -2.560 5.205) 10.674 14.968 ( 3.446 -3.280 5.654) 7.389 15.582 ( -0.755 -3.377 -7.730) 8.469 16.266 ( 1.937 -4.506 4.918) 6.946 16.292 ( -0.165 -1.789 -6.984) 7.212 16.468 ( 10.668 -3.365 17.196) 20.514 16.895 ( -8.070 -0.089 5.312) 9.662 17.950 ( 9.037 -11.264 -9.601) 17.341 19.366 ( -12.190 14.986 -8.636) 21.160 20.646 ( 2.019 3.109 -11.674) 12.249 22.056 ( 2.446 -1.311 -5.458) 6.123 22.443 ( 1.486 -1.291 -3.767) 4.251 25.028 ( -4.907 -1.238 1.855) 5.390 26.397 ( -2.188 -0.453 5.304) 5.755 27.206 ( 31.783 -3.253 -9.870) 33.438 28.139 ( -10.925 4.209 -13.829) 18.119 29.292 ( -2.408 -1.475 9.257) 9.678 29.603 ( -8.714 4.056 19.332) 21.590 29.901 ( 0.425 0.775 10.447) 10.484 30.215 ( 0.813 -1.839 2.662) 3.336 31.120 ( 6.528 -9.032 11.867) 16.279 31.471 ( -6.392 10.695 -4.894) 13.386 31.975 ( 3.419 -0.760 1.477) 3.801 33.562 ( -5.591 -5.145 -17.521) 19.097 ======================= Grid point 112 (52/186) ======================= q-point: (-0.38 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -9.919 -0.000 28.088) 29.788 3.195 ( -22.192 -0.000 -2.293) 22.310 3.616 ( -21.943 -0.000 27.469) 35.157 4.228 ( -3.919 -0.000 -1.420) 4.168 4.601 ( -13.805 -0.000 30.720) 33.679 4.873 ( -1.282 -0.000 4.750) 4.920 4.895 ( -4.093 -0.000 2.594) 4.846 5.552 ( -14.923 -0.000 3.677) 15.369 6.120 ( -4.649 -0.000 9.969) 10.999 6.121 ( -4.904 -0.000 -0.363) 4.917 6.381 ( -25.206 -0.000 -14.068) 28.866 6.899 ( 6.612 0.000 0.536) 6.634 7.058 ( 1.860 0.000 0.646) 1.969 7.225 ( 24.685 0.000 5.654) 25.324 7.537 ( -0.476 -0.000 4.171) 4.198 8.007 ( 1.606 0.000 1.657) 2.308 8.315 ( -0.891 -0.000 -11.645) 11.679 8.671 ( -4.694 -0.000 3.161) 5.659 8.835 ( -6.061 -0.000 -4.458) 7.524 9.094 ( -3.579 -0.000 5.709) 6.738 9.719 ( 3.432 0.000 -13.976) 14.391 9.776 ( 6.357 0.000 -5.459) 8.379 9.838 ( 11.311 0.000 0.626) 11.328 10.349 ( 6.784 0.000 11.542) 13.388 10.709 ( 4.129 0.000 7.039) 8.161 10.736 ( 0.374 0.000 11.542) 11.548 11.030 ( 6.630 0.000 -2.794) 7.195 11.374 ( -3.627 -0.000 -13.215) 13.703 11.831 ( -4.816 -0.000 -5.603) 7.388 12.018 ( -0.900 -0.000 -17.539) 17.562 12.125 ( -5.246 -0.000 -4.012) 6.604 12.672 ( -0.759 -0.000 8.302) 8.337 13.061 ( -17.741 -0.000 6.380) 18.853 13.389 ( 14.109 0.000 7.730) 16.088 13.876 ( -8.236 -0.000 -2.609) 8.639 14.349 ( 0.388 0.000 10.262) 10.269 14.528 ( 8.325 0.000 5.205) 9.818 15.060 ( -2.622 -0.000 15.958) 16.171 15.353 ( 5.448 0.000 -12.685) 13.806 15.769 ( 11.862 0.000 4.808) 12.800 16.159 ( -3.742 -0.000 -4.976) 6.226 16.431 ( 12.202 0.000 8.557) 14.904 16.670 ( -3.708 -0.000 10.319) 10.965 17.791 ( -4.548 -0.000 -20.144) 20.651 20.041 ( -13.863 -0.000 -8.182) 16.097 20.864 ( 1.513 0.000 -10.611) 10.719 21.971 ( 1.290 0.000 -14.265) 14.323 22.392 ( 2.359 0.000 -2.074) 3.141 25.066 ( -7.827 -0.000 1.853) 8.044 26.442 ( -4.006 -0.000 2.806) 4.891 26.716 ( 34.849 0.000 -3.329) 35.008 28.465 ( -5.314 -0.000 -18.846) 19.581 29.251 ( -3.214 -0.000 8.163) 8.773 29.545 ( 6.638 0.000 1.263) 6.757 29.969 ( -4.658 -0.000 22.198) 22.681 30.245 ( 4.026 0.000 15.487) 16.002 30.545 ( 4.005 0.000 15.813) 16.313 31.493 ( -2.211 -0.000 2.904) 3.650 32.382 ( -4.879 -0.000 -11.307) 12.315 33.497 ( -10.697 -0.000 -15.747) 19.036 ======================= Grid point 113 (53/186) ======================= q-point: (-0.25 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -23.515 -6.632 1.303) 24.467 3.062 ( -38.867 -16.793 14.263) 44.678 3.638 ( -1.200 -6.022 24.383) 25.144 4.147 ( -5.291 1.095 1.387) 5.579 4.401 ( -16.425 11.558 24.701) 31.835 4.834 ( -1.881 0.806 3.908) 4.411 5.067 ( 1.505 -12.131 7.697) 14.445 5.229 ( -27.450 2.563 8.160) 28.751 5.907 ( -3.500 9.342 4.694) 11.025 6.091 ( -15.489 -6.333 -5.529) 17.624 6.302 ( -3.523 -11.740 2.216) 12.456 6.908 ( 2.095 7.458 -0.110) 7.747 7.094 ( 4.991 0.442 4.882) 6.996 7.455 ( 3.844 3.784 0.417) 5.410 7.577 ( 11.840 4.545 2.715) 12.970 8.061 ( 5.474 2.706 2.074) 6.448 8.240 ( 1.869 -0.012 -5.381) 5.696 8.656 ( -6.279 -1.040 -3.989) 7.511 8.752 ( -6.026 -11.027 0.755) 12.588 9.032 ( 2.707 11.903 5.903) 13.560 9.513 ( -6.365 14.726 3.877) 16.505 9.821 ( 10.969 4.750 -18.069) 21.665 10.057 ( 11.243 -2.920 0.788) 11.643 10.476 ( -5.796 -3.877 13.294) 15.011 10.653 ( 10.585 10.259 4.183) 15.323 10.802 ( 2.311 0.497 4.951) 5.487 11.092 ( -3.873 -0.648 -10.904) 11.590 11.461 ( 1.828 -16.302 -8.294) 18.382 11.768 ( -5.392 -5.670 -12.656) 14.879 11.999 ( 2.958 -1.653 -2.659) 4.307 12.078 ( -1.214 -1.534 -1.342) 2.372 12.497 ( -9.990 16.336 6.226) 20.136 12.850 ( -15.532 -2.949 0.532) 15.818 13.546 ( -4.406 9.080 -2.191) 10.328 13.767 ( 14.043 -4.788 2.245) 15.006 14.369 ( -2.013 0.867 7.545) 7.857 14.749 ( 5.212 -9.518 -0.775) 10.879 14.916 ( -1.483 16.268 19.293) 25.280 15.485 ( 3.726 -7.186 -6.395) 10.316 16.035 ( 6.542 -4.571 3.813) 8.845 16.153 ( 6.388 -7.372 -0.559) 9.770 16.557 ( 9.402 7.286 10.452) 15.834 16.789 ( 5.035 -7.449 6.850) 11.303 17.664 ( -4.697 -5.216 -16.365) 17.807 19.774 ( -12.634 9.217 -5.224) 16.488 20.769 ( -2.589 3.994 -13.553) 14.365 21.959 ( 1.116 -3.722 -11.218) 11.872 22.420 ( 3.411 -0.274 -4.256) 5.461 24.986 ( -5.882 -1.092 1.391) 6.143 26.389 ( -5.431 -0.132 2.668) 6.053 27.168 ( 35.428 -0.116 -10.153) 36.855 28.278 ( -6.948 3.796 -17.670) 19.362 29.251 ( -2.796 -0.915 7.474) 8.032 29.665 ( 7.042 -0.119 4.805) 8.526 29.987 ( -2.965 2.895 21.984) 22.371 30.276 ( 1.556 8.572 15.391) 17.686 30.800 ( 5.382 -13.605 18.446) 23.544 31.510 ( -0.900 -4.070 2.322) 4.771 32.170 ( -7.288 10.281 -9.638) 15.865 33.325 ( -12.220 -8.200 -18.236) 23.434 ======================= Grid point 114 (54/186) ======================= q-point: (-0.12 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -27.208 -21.954 -12.171) 37.019 2.821 ( -36.308 -16.220 22.352) 45.618 3.783 ( -1.636 -2.141 5.698) 6.303 4.127 ( -14.131 0.523 30.753) 33.849 4.207 ( -13.635 -16.960 12.711) 25.201 4.812 ( -0.524 2.345 2.920) 3.781 4.920 ( -20.365 -2.508 10.010) 22.830 5.305 ( 6.226 -4.082 11.073) 13.343 5.757 ( -1.253 9.351 3.026) 9.908 6.116 ( -6.171 -15.773 2.971) 17.196 6.381 ( -3.771 -5.335 -0.789) 6.580 6.785 ( 1.850 12.003 2.252) 12.352 7.186 ( 3.401 -0.174 3.907) 5.183 7.388 ( -6.284 0.202 -1.547) 6.474 7.504 ( 5.553 15.401 -8.884) 18.627 8.131 ( 9.432 2.684 7.503) 12.348 8.366 ( 5.120 -4.421 0.864) 6.819 8.540 ( -5.611 1.888 -2.487) 6.422 8.847 ( 1.682 5.688 10.265) 11.855 8.980 ( 2.764 -1.821 0.314) 3.325 9.280 ( -5.930 2.611 1.908) 6.754 9.762 ( 8.633 11.398 -9.931) 17.409 10.142 ( 8.174 9.747 -8.828) 15.484 10.392 ( -1.337 10.894 2.440) 11.244 10.659 ( -8.751 -3.066 2.339) 9.563 10.831 ( -12.793 -6.890 1.916) 14.656 11.042 ( 8.498 2.353 3.966) 9.668 11.580 ( -1.770 0.033 -0.499) 1.840 11.704 ( -1.816 -5.327 -14.966) 15.989 12.061 ( -7.432 -7.680 6.463) 12.489 12.123 ( 3.457 1.192 -1.923) 4.131 12.288 ( -0.109 -5.323 -11.061) 12.276 12.769 ( -3.732 -3.831 0.187) 5.352 13.261 ( -10.379 9.873 -2.587) 14.556 14.108 ( 20.887 -1.655 2.580) 21.111 14.358 ( -2.418 0.177 6.682) 7.108 14.693 ( 1.497 11.918 -2.343) 12.238 15.002 ( 3.780 -5.085 18.502) 19.557 15.501 ( -2.225 0.012 -11.355) 11.570 16.145 ( -0.719 -7.466 4.383) 8.688 16.346 ( 6.823 -0.132 -4.440) 8.142 16.691 ( 9.760 -1.346 18.785) 21.212 16.840 ( -2.929 6.028 -2.211) 7.057 17.863 ( 14.846 -18.373 -3.430) 23.869 19.410 ( -10.245 14.911 -3.751) 18.476 20.609 ( -4.812 1.934 -14.184) 15.103 22.003 ( 0.674 -5.021 -6.383) 8.149 22.448 ( 3.601 0.011 -5.888) 6.902 24.965 ( -1.744 -2.142 2.006) 3.414 26.340 ( -6.093 -2.222 3.781) 7.507 27.393 ( 5.035 5.022 -31.641) 32.431 28.137 ( 9.629 3.180 -2.134) 10.362 29.266 ( -2.709 -1.852 7.713) 8.383 29.702 ( -2.329 8.283 20.440) 22.177 30.005 ( 1.375 3.391 16.885) 17.277 30.247 ( 1.328 2.631 5.310) 6.073 31.092 ( 1.889 -9.185 12.545) 15.662 31.498 ( -7.016 7.136 -3.613) 10.639 31.972 ( -1.864 -0.933 -0.662) 2.187 33.325 ( 1.211 -14.752 -16.447) 22.126 ======================= Grid point 121 (55/186) ======================= q-point: (-0.25 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -39.399 -0.000 -3.976) 39.600 2.476 ( -41.558 -0.000 22.023) 47.033 3.610 ( -16.334 -0.000 2.259) 16.489 4.071 ( -8.547 -0.000 -0.320) 8.553 4.276 ( -29.372 -0.000 35.342) 45.954 4.875 ( -6.573 -0.000 1.706) 6.791 4.915 ( -14.710 -0.000 21.155) 25.767 5.028 ( 8.956 0.000 7.629) 11.765 5.869 ( -8.273 -0.000 2.979) 8.792 6.073 ( 1.433 0.000 2.615) 2.981 6.119 ( -4.674 -0.000 6.751) 8.211 6.998 ( 2.259 0.000 -0.579) 2.332 7.152 ( 2.875 0.000 2.382) 3.734 7.397 ( -8.127 -0.000 -2.037) 8.378 7.936 ( 19.726 0.000 9.883) 22.063 8.156 ( -8.877 -0.000 -10.119) 13.461 8.280 ( 17.929 0.000 4.632) 18.518 8.563 ( 0.461 0.000 -7.388) 7.403 8.577 ( -3.886 -0.000 0.105) 3.888 9.131 ( -2.480 -0.000 0.130) 2.483 9.540 ( -10.557 -0.000 -1.625) 10.681 9.959 ( 12.374 0.000 -14.366) 18.960 10.144 ( 7.587 0.000 6.411) 9.933 10.386 ( -3.502 -0.000 9.306) 9.943 10.711 ( -7.533 -0.000 4.906) 8.990 11.066 ( -3.152 -0.000 -20.095) 20.341 11.139 ( 4.782 0.000 -7.151) 8.602 11.156 ( 10.054 0.000 10.178) 14.306 11.630 ( -1.059 -0.000 -11.113) 11.163 12.048 ( 5.855 0.000 -1.256) 5.988 12.086 ( 2.647 0.000 2.286) 3.497 12.381 ( -29.306 -0.000 -6.170) 29.949 12.674 ( -4.466 -0.000 8.224) 9.359 13.476 ( -12.909 -0.000 -13.569) 18.728 13.903 ( 14.294 0.000 12.008) 18.669 14.438 ( 4.390 0.000 2.061) 4.850 14.745 ( 5.710 0.000 2.042) 6.064 15.173 ( -4.704 -0.000 34.284) 34.605 15.387 ( 4.247 0.000 -9.053) 10.000 16.013 ( -2.311 -0.000 -3.457) 4.159 16.286 ( 15.480 0.000 0.925) 15.507 16.676 ( -1.806 -0.000 3.308) 3.769 17.051 ( 31.016 0.000 15.629) 34.731 17.440 ( -9.841 -0.000 -14.682) 17.675 19.690 ( -9.791 -0.000 0.519) 9.805 20.668 ( -7.521 -0.000 -16.147) 17.813 21.890 ( 0.513 0.000 -10.324) 10.337 22.450 ( 4.649 0.000 -7.236) 8.601 24.927 ( -2.452 -0.000 1.873) 3.086 26.305 ( -7.939 -0.000 2.203) 8.239 27.474 ( 18.837 0.000 -33.211) 38.181 28.226 ( 5.724 0.000 -6.894) 8.961 29.238 ( -2.473 -0.000 6.564) 7.014 29.816 ( 11.457 0.000 3.719) 12.045 30.072 ( 1.253 0.000 15.666) 15.716 30.572 ( 3.449 0.000 40.082) 40.230 30.733 ( -0.004 -0.000 13.441) 13.441 31.464 ( -1.561 -0.000 2.937) 3.326 32.109 ( -8.119 -0.000 -10.398) 13.192 32.970 ( -16.158 -0.000 -20.360) 25.992 ======================= Grid point 122 (56/186) ======================= q-point: (-0.12 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -39.111 -19.823 -4.663) 44.095 2.147 ( -40.411 -17.347 26.125) 51.152 3.216 ( -51.616 -24.246 -5.343) 57.276 3.928 ( -9.609 2.157 1.204) 9.921 4.211 ( -6.792 2.415 42.637) 43.242 4.733 ( -13.290 0.367 16.335) 21.062 4.928 ( 4.749 5.419 8.761) 11.343 5.309 ( 7.964 -11.925 11.486) 18.373 5.812 ( -7.059 -2.799 3.859) 8.518 6.004 ( 2.543 3.783 5.478) 7.127 6.225 ( -1.844 -7.511 2.062) 8.004 6.985 ( 4.021 6.643 0.989) 7.828 7.209 ( 1.493 -1.994 1.619) 2.971 7.275 ( -8.258 0.026 -0.561) 8.277 7.775 ( -5.523 17.995 -9.718) 21.184 8.268 ( 9.797 -5.789 7.551) 13.657 8.489 ( 8.133 5.025 1.962) 9.760 8.519 ( 4.351 3.353 -3.793) 6.676 8.753 ( 5.047 -14.528 -0.028) 15.380 9.051 ( -0.179 3.045 -2.578) 3.994 9.314 ( -6.079 8.692 -2.780) 10.965 9.990 ( 8.345 7.504 -6.160) 12.802 10.287 ( 0.532 -3.823 4.036) 5.585 10.465 ( 0.049 -8.067 0.360) 8.075 10.541 ( -7.950 21.870 -13.592) 26.949 10.637 ( -12.023 4.422 0.067) 12.810 11.253 ( 4.786 7.581 7.296) 11.559 11.411 ( 0.802 -17.479 -2.518) 17.678 11.606 ( -2.160 -0.848 -8.502) 8.813 11.865 ( -22.665 2.830 -5.930) 23.598 12.145 ( 4.146 -1.499 2.530) 5.083 12.231 ( 9.097 -1.799 -6.940) 11.582 12.694 ( -0.169 -5.456 4.336) 6.971 13.206 ( -12.321 5.717 -4.228) 14.225 14.161 ( 3.388 -8.481 7.345) 11.720 14.514 ( 14.148 2.984 -4.030) 15.011 14.853 ( 6.225 1.204 -7.463) 9.792 15.188 ( 4.878 6.959 44.585) 45.387 15.430 ( -1.990 0.583 -6.697) 7.011 16.066 ( 3.116 -8.551 2.381) 9.407 16.429 ( 6.912 1.509 -3.415) 7.856 16.694 ( -1.559 -4.822 4.682) 6.900 17.060 ( -1.098 16.804 -1.757) 16.931 17.818 ( 27.178 -23.102 6.801) 36.312 19.490 ( -7.746 12.406 1.839) 14.741 20.466 ( -10.249 0.822 -14.561) 17.825 21.899 ( 0.220 -5.218 -6.758) 8.541 22.477 ( 4.917 0.211 -9.604) 10.792 24.946 ( 1.782 -1.905 3.369) 4.261 26.219 ( -8.559 -2.318 3.009) 9.364 27.248 ( -15.561 9.759 -51.860) 55.017 28.406 ( 21.706 2.149 1.224) 21.846 29.241 ( -2.317 -1.002 6.389) 6.869 29.937 ( 6.873 8.152 13.196) 16.965 30.158 ( 4.509 2.287 14.846) 15.684 30.427 ( -3.726 19.546 23.323) 30.658 31.019 ( -0.763 -9.726 16.920) 19.531 31.461 ( -7.925 3.623 -1.398) 8.826 31.913 ( -5.534 1.597 -4.449) 7.278 32.980 ( 5.003 -31.227 -14.486) 34.785 ======================= Grid point 130 (57/186) ======================= q-point: (-0.12 -0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -40.732 -0.000 12.506) 42.609 1.552 ( -45.794 -0.000 26.473) 52.895 2.161 ( -66.057 -0.000 17.577) 68.355 3.840 ( -7.226 -0.000 0.517) 7.245 4.330 ( -4.778 -0.000 36.104) 36.418 4.645 ( -12.156 -0.000 13.809) 18.397 5.128 ( 5.530 0.000 16.645) 17.539 5.331 ( 6.977 0.000 5.955) 9.173 5.693 ( -8.822 -0.000 1.754) 8.995 6.034 ( -4.686 -0.000 5.112) 6.935 6.237 ( 7.547 0.000 3.444) 8.296 7.068 ( 3.346 0.000 -1.485) 3.661 7.200 ( -3.231 -0.000 6.095) 6.898 7.232 ( 2.636 0.000 4.581) 5.286 7.639 ( -20.606 -0.000 -14.204) 25.027 8.418 ( 7.249 0.000 0.815) 7.295 8.472 ( 0.196 0.000 8.255) 8.258 8.730 ( 11.237 0.000 -1.388) 11.322 8.869 ( 21.729 0.000 -4.930) 22.281 8.997 ( -4.095 -0.000 -6.077) 7.328 9.289 ( -1.004 -0.000 -9.008) 9.064 10.102 ( 0.626 0.000 -1.793) 1.900 10.162 ( -13.050 -0.000 8.073) 15.346 10.421 ( 2.008 0.000 -14.881) 15.016 10.519 ( -6.760 -0.000 3.658) 7.687 10.658 ( -10.778 -0.000 -18.888) 21.746 11.142 ( 0.532 0.000 -10.484) 10.497 11.353 ( -13.501 -0.000 -0.182) 13.502 11.574 ( 3.403 0.000 -10.873) 11.393 11.622 ( -7.603 -0.000 -1.115) 7.684 12.192 ( 2.803 0.000 4.734) 5.502 12.400 ( 15.330 0.000 1.001) 15.363 12.628 ( -2.656 -0.000 4.728) 5.423 13.102 ( -7.218 -0.000 7.388) 10.329 14.129 ( -1.980 -0.000 3.312) 3.858 14.697 ( 14.059 0.000 -6.235) 15.379 14.918 ( 6.999 0.000 -2.675) 7.493 15.455 ( 3.903 0.000 0.487) 3.933 15.596 ( 14.960 0.000 69.097) 70.698 16.015 ( 4.359 0.000 -4.089) 5.977 16.539 ( 6.408 0.000 -0.389) 6.419 16.622 ( -3.013 -0.000 2.162) 3.708 17.084 ( -9.135 -0.000 -7.436) 11.779 18.078 ( 29.093 0.000 9.401) 30.574 19.544 ( -3.032 -0.000 3.341) 4.512 20.273 ( -9.833 -0.000 -8.830) 13.216 21.829 ( 0.155 0.000 -5.871) 5.873 22.497 ( 5.062 0.000 -12.883) 13.842 24.984 ( 3.552 0.000 4.929) 6.075 26.098 ( -8.199 -0.000 3.863) 9.063 26.767 ( -34.626 -0.000 -69.245) 77.420 28.713 ( 19.477 0.000 0.507) 19.484 29.231 ( -2.040 -0.000 5.719) 6.071 30.155 ( 10.606 0.000 3.686) 11.229 30.310 ( 9.509 0.000 7.179) 11.914 30.732 ( -6.437 -0.000 6.017) 8.811 31.042 ( -1.023 -0.000 35.515) 35.529 31.472 ( -0.323 -0.000 4.276) 4.289 31.837 ( -5.431 -0.000 -7.001) 8.861 32.555 ( 3.699 0.000 5.330) 6.488 ======================= Grid point 131 (58/186) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 20.889 0.000 43.904) 48.620 1.949 ( 10.530 0.000 45.603) 46.803 3.358 ( 7.272 0.000 68.327) 68.713 3.818 ( 0.120 0.000 4.396) 4.397 4.308 ( -9.479 -0.000 1.231) 9.559 5.187 ( -3.116 -0.000 18.690) 18.948 5.514 ( -9.108 -0.000 3.412) 9.726 5.519 ( -21.573 -0.000 28.112) 35.435 5.851 ( -14.055 -0.000 35.830) 38.488 6.208 ( -12.935 -0.000 -8.380) 15.413 6.214 ( 2.403 0.000 14.368) 14.567 6.704 ( -0.988 -0.000 -14.454) 14.487 6.993 ( 0.590 0.000 -6.172) 6.200 7.457 ( -5.824 -0.000 1.108) 5.928 7.546 ( 11.275 0.000 0.528) 11.287 8.168 ( -5.759 -0.000 -2.394) 6.237 8.677 ( 7.479 0.000 -15.995) 17.657 8.760 ( 0.926 0.000 -3.652) 3.768 8.951 ( -4.524 -0.000 3.245) 5.568 9.128 ( 15.321 0.000 -12.973) 20.076 9.188 ( 5.993 0.000 7.756) 9.802 9.789 ( 3.448 0.000 -2.047) 4.010 9.868 ( -9.303 -0.000 -8.189) 12.394 10.018 ( -18.975 -0.000 5.147) 19.661 10.463 ( 10.247 0.000 -8.524) 13.329 10.609 ( 5.977 0.000 -3.094) 6.730 10.801 ( 0.411 0.000 -2.924) 2.953 11.040 ( -0.559 -0.000 0.310) 0.639 11.437 ( 8.188 0.000 -9.369) 12.443 11.862 ( -2.485 -0.000 15.144) 15.347 12.211 ( 1.822 0.000 -10.206) 10.367 12.611 ( -2.809 -0.000 1.098) 3.015 12.784 ( 10.476 0.000 4.475) 11.392 13.653 ( 6.850 0.000 8.187) 10.675 13.717 ( -13.991 -0.000 -9.731) 17.042 14.908 ( 8.531 0.000 1.416) 8.648 15.017 ( 5.295 0.000 -0.729) 5.345 15.416 ( 0.529 0.000 -15.682) 15.691 15.938 ( 7.740 0.000 -12.258) 14.497 16.101 ( -8.463 -0.000 -18.731) 20.554 16.667 ( -6.486 -0.000 -0.208) 6.489 17.085 ( 4.495 0.000 20.032) 20.530 17.440 ( -18.887 -0.000 4.286) 19.367 18.130 ( -3.039 -0.000 15.084) 15.387 19.159 ( -23.382 -0.000 2.200) 23.486 20.156 ( -0.225 -0.000 -0.391) 0.451 21.700 ( 7.066 0.000 -9.651) 11.961 22.089 ( 6.706 0.000 -24.087) 25.003 25.216 ( -3.680 -0.000 7.127) 8.021 25.986 ( 38.593 0.000 -4.847) 38.896 26.305 ( 4.224 0.000 16.122) 16.666 28.752 ( -9.156 -0.000 -13.380) 16.212 29.394 ( -0.288 -0.000 10.764) 10.768 30.240 ( -12.239 -0.000 -4.113) 12.912 30.372 ( -7.301 -0.000 2.618) 7.756 30.490 ( -5.263 -0.000 -4.777) 7.108 30.971 ( 10.454 0.000 8.819) 13.677 31.549 ( -0.206 -0.000 2.127) 2.137 31.798 ( 3.913 0.000 3.447) 5.214 33.026 ( -10.007 -0.000 -5.520) 11.429 ======================= Grid point 132 (59/186) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 19.250 -15.374 35.271) 43.023 2.495 ( 25.206 -12.556 37.545) 46.932 3.750 ( 10.342 5.217 20.192) 23.278 4.040 ( 5.953 -14.589 23.922) 28.645 4.309 ( 3.857 -10.036 26.017) 28.151 5.134 ( -6.568 5.326 -3.414) 9.120 5.366 ( -16.060 3.302 36.537) 40.047 5.434 ( -12.024 -8.169 21.749) 26.160 5.823 ( -15.376 -6.007 20.691) 26.469 5.984 ( -7.530 4.570 -5.195) 10.226 6.400 ( 2.596 -7.105 13.029) 15.066 6.667 ( -0.756 -0.892 -8.182) 8.265 6.966 ( 0.007 1.351 -6.190) 6.336 7.352 ( -4.243 1.418 -2.589) 5.169 7.712 ( 14.731 0.405 -0.839) 14.761 8.076 ( -7.893 0.710 -3.405) 8.625 8.415 ( 2.379 21.289 -8.161) 22.924 8.843 ( -5.517 -5.294 -2.482) 8.039 8.984 ( -2.271 -6.958 -0.991) 7.386 9.176 ( -0.495 -1.770 -4.698) 5.044 9.361 ( 11.928 4.393 -0.437) 12.719 9.616 ( -12.184 -3.984 -5.849) 14.091 9.808 ( -12.728 -11.157 -0.286) 16.928 9.953 ( 7.523 6.614 -6.818) 12.117 10.530 ( 11.528 9.275 -3.164) 15.130 10.694 ( 3.979 6.992 1.172) 8.130 10.823 ( 6.660 -8.769 -6.930) 13.011 11.086 ( 5.889 -2.031 1.125) 6.330 11.573 ( 6.322 -9.582 -8.165) 14.087 11.903 ( -1.200 -0.718 12.252) 12.332 12.231 ( 6.396 -2.393 -9.493) 11.694 12.523 ( -5.941 5.833 1.655) 8.489 12.888 ( 7.623 4.540 5.603) 10.494 13.530 ( -12.520 -4.912 -12.157) 18.130 13.733 ( 4.350 2.873 5.924) 7.891 14.969 ( -0.645 8.707 3.318) 9.340 15.028 ( 3.335 5.133 -0.959) 6.196 15.194 ( -2.579 11.502 -5.802) 13.138 15.736 ( -9.658 3.151 -16.352) 19.251 16.190 ( -7.271 -18.453 -12.410) 23.396 16.559 ( 0.592 5.829 -6.441) 8.707 17.107 ( -24.647 3.312 14.065) 28.570 17.236 ( 0.833 0.964 24.214) 24.248 17.923 ( -20.995 3.817 2.592) 21.496 19.060 ( 2.655 -0.539 6.667) 7.197 20.232 ( 9.353 -1.120 -4.700) 10.527 21.768 ( 5.870 -2.075 -8.299) 10.374 22.122 ( 8.653 -3.484 -22.467) 24.327 25.188 ( -6.397 -1.665 5.683) 8.717 26.417 ( 21.478 4.474 1.397) 21.983 26.521 ( 26.613 -1.531 -0.281) 26.658 28.452 ( -14.679 7.568 -14.357) 21.883 29.445 ( -0.081 -0.385 12.945) 12.951 30.097 ( -8.597 -0.042 3.234) 9.185 30.184 ( -14.678 1.865 -0.015) 14.796 30.486 ( -2.692 -2.442 -0.769) 3.715 31.094 ( 2.606 2.772 12.344) 12.917 31.592 ( 3.561 -1.315 8.222) 9.056 31.749 ( 5.513 10.948 1.173) 12.314 33.030 ( -9.803 -19.496 -13.780) 25.808 ======================= Grid point 133 (60/186) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 19.187 -11.520 25.818) 34.168 3.121 ( 18.040 -25.254 25.712) 40.302 3.865 ( 11.286 3.748 9.020) 14.925 4.034 ( -6.940 8.347 -0.774) 10.883 4.907 ( 1.088 -20.382 33.185) 38.960 5.016 ( -4.989 -1.255 5.884) 7.816 5.394 ( 6.809 -0.007 28.998) 29.787 5.498 ( -18.867 -5.698 40.900) 45.401 5.768 ( -3.900 5.404 4.727) 8.171 5.900 ( -3.388 -7.445 3.300) 8.820 6.459 ( -1.257 0.912 -1.601) 2.230 6.709 ( 0.238 -4.946 7.338) 8.852 6.941 ( -2.488 -6.792 -4.049) 8.289 7.318 ( 0.959 0.114 -4.146) 4.257 7.781 ( -5.001 13.738 -10.874) 18.220 7.947 ( 10.364 -0.720 2.822) 10.765 8.248 ( 1.043 3.688 4.572) 5.966 8.754 ( -14.138 -5.151 -4.461) 15.695 8.975 ( -5.809 3.531 2.424) 7.218 9.080 ( -8.240 5.451 5.412) 11.265 9.479 ( 8.138 -6.713 -2.369) 10.812 9.585 ( -1.484 -4.880 -10.617) 11.779 9.792 ( -6.078 -0.229 -6.727) 9.069 9.957 ( -0.429 -8.173 -9.371) 12.442 10.421 ( 9.603 23.902 0.276) 25.760 10.600 ( 3.850 3.043 5.738) 7.551 11.158 ( 12.284 -10.030 -7.411) 17.505 11.230 ( 9.309 -7.049 -0.104) 11.677 11.752 ( 0.670 -12.071 -9.699) 15.499 11.935 ( 0.410 1.536 6.480) 6.673 12.281 ( -3.773 10.572 -0.673) 11.245 12.421 ( 10.159 -5.507 -7.007) 13.514 12.917 ( 7.226 7.044 4.911) 11.222 13.404 ( -9.980 -4.450 -14.063) 17.810 13.755 ( 2.031 4.109 9.512) 10.559 14.576 ( -15.972 19.199 9.534) 26.732 14.976 ( 3.667 5.932 -10.029) 12.216 15.136 ( -4.981 0.245 5.454) 7.390 15.546 ( -9.381 -3.454 -14.726) 17.799 16.218 ( -8.774 -7.093 -3.863) 11.926 16.492 ( 2.797 2.708 -9.194) 9.984 16.818 ( -17.687 4.708 16.948) 24.944 17.328 ( 2.602 4.723 22.581) 23.216 17.689 ( -14.970 -8.192 -10.354) 19.960 19.158 ( 10.286 5.037 7.802) 13.858 20.340 ( 8.772 -0.194 -8.996) 12.566 21.843 ( 6.246 -2.234 -9.269) 11.398 22.207 ( 7.830 -3.924 -17.610) 19.668 25.148 ( -5.943 -1.198 4.667) 7.651 26.568 ( 8.804 3.318 9.088) 13.081 26.840 ( 23.029 1.835 -13.397) 26.706 28.118 ( -9.611 6.444 -12.413) 16.970 29.515 ( 0.162 -1.015 15.408) 15.442 29.968 ( -12.266 2.877 0.607) 12.613 30.037 ( -7.919 -3.072 8.908) 12.309 30.448 ( -5.850 0.299 4.103) 7.152 31.097 ( -5.699 -1.346 10.609) 12.118 31.647 ( 8.463 12.343 7.669) 16.816 31.792 ( 4.431 -7.801 0.928) 9.019 33.118 ( -2.409 -12.503 -19.863) 23.594 ======================= Grid point 134 (61/186) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 8.111 -7.285 15.017) 18.557 3.689 ( -10.746 16.297 -8.814) 21.419 3.787 ( 13.745 -13.575 25.815) 32.243 4.090 ( 13.610 -11.082 3.838) 17.966 4.887 ( -4.913 6.386 6.209) 10.172 5.267 ( -9.022 -9.424 41.938) 43.920 5.366 ( -19.247 5.369 18.996) 27.571 5.562 ( 4.366 -5.095 6.327) 9.222 5.750 ( -6.496 4.638 21.373) 22.815 5.994 ( 9.984 -0.850 7.070) 12.264 6.486 ( -0.358 -0.424 4.572) 4.606 6.790 ( -2.231 -5.243 -0.924) 5.773 7.099 ( -1.295 -10.767 5.313) 12.076 7.291 ( 2.331 -0.137 -5.062) 5.575 7.484 ( -5.526 7.106 -4.770) 10.187 8.146 ( 6.456 -4.434 6.663) 10.283 8.309 ( 2.850 -3.954 8.110) 9.462 8.631 ( -10.983 -3.212 -4.374) 12.251 8.726 ( -10.755 12.896 8.280) 18.722 8.983 ( -3.325 -0.863 4.909) 5.992 9.555 ( 4.277 6.627 -2.830) 8.380 9.644 ( -3.669 0.561 -5.663) 6.771 9.670 ( -3.454 -6.964 -11.132) 13.577 10.036 ( -4.954 -10.189 -1.655) 11.450 10.294 ( 12.676 6.297 -6.215) 15.459 10.758 ( 10.706 -5.956 6.000) 13.642 11.211 ( -0.548 4.303 -0.893) 4.429 11.526 ( 6.628 -9.292 -9.615) 14.923 11.817 ( -5.342 -4.320 -2.552) 7.329 11.908 ( 0.787 6.598 -0.340) 6.653 12.131 ( 8.333 2.529 -8.233) 11.984 12.577 ( 9.043 3.769 -9.850) 13.892 12.944 ( 5.887 5.561 2.178) 8.386 13.263 ( -6.203 1.229 -4.764) 7.917 13.760 ( -1.888 -0.300 15.326) 15.445 14.260 ( -8.055 4.445 3.618) 9.886 14.875 ( 0.012 4.911 -12.923) 13.825 15.008 ( -10.259 2.154 0.641) 10.502 15.470 ( -6.975 -5.320 -5.103) 10.148 16.212 ( -1.346 -2.672 1.174) 3.214 16.436 ( -8.569 -3.062 -1.984) 9.314 16.674 ( -1.470 5.322 11.596) 12.844 17.348 ( -0.231 6.314 19.237) 20.248 17.669 ( -3.227 -11.711 -14.873) 19.203 19.235 ( 11.378 8.443 7.950) 16.247 20.383 ( 4.620 0.555 -11.194) 12.123 21.909 ( 6.609 -0.578 -11.014) 12.858 22.275 ( 5.222 -2.269 -13.724) 14.859 25.111 ( -3.199 0.322 4.293) 5.363 26.625 ( 2.169 3.694 6.023) 7.391 26.931 ( 1.696 0.373 -16.168) 16.261 27.959 ( 5.390 4.162 -8.765) 11.100 29.598 ( 0.086 0.687 17.225) 17.239 29.800 ( -9.041 0.351 3.879) 9.844 30.061 ( -5.640 -6.599 11.942) 14.764 30.381 ( -4.941 1.416 6.323) 8.149 31.094 ( -8.661 -6.475 5.620) 12.187 31.596 ( 6.319 11.139 3.634) 13.312 31.955 ( -0.134 -7.248 3.707) 8.142 33.171 ( 6.928 -3.267 -21.028) 22.379 ======================= Grid point 135 (62/186) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -12.886 23.650 -9.417) 28.532 3.664 ( -6.247 -1.665 17.153) 18.330 3.888 ( -0.926 17.250 12.391) 21.260 4.544 ( 9.416 -13.805 -3.336) 17.041 4.900 ( 2.623 -10.085 16.816) 19.783 5.112 ( -7.034 11.630 9.745) 16.724 5.360 ( -6.549 -1.100 34.266) 34.903 5.501 ( -16.240 12.428 23.916) 31.467 5.783 ( 1.543 -3.298 15.017) 15.452 6.233 ( 6.441 -6.257 4.733) 10.150 6.488 ( -0.843 -3.050 8.992) 9.533 6.712 ( -9.574 1.091 -5.903) 11.300 7.131 ( -2.005 -0.576 0.035) 2.087 7.297 ( -2.850 10.631 -0.919) 11.045 7.460 ( 5.284 -7.495 4.552) 10.238 8.147 ( -14.686 -1.795 1.128) 14.838 8.407 ( -5.459 -2.761 4.766) 7.755 8.512 ( 0.497 -1.981 1.256) 2.398 8.762 ( 9.447 -7.126 11.931) 16.804 9.040 ( 2.784 -3.086 6.450) 7.674 9.463 ( -0.883 3.984 -6.900) 8.017 9.559 ( -3.576 4.486 -0.257) 5.743 9.610 ( -1.285 0.103 -11.455) 11.528 10.128 ( -6.617 -13.390 3.803) 15.413 10.500 ( 14.130 -7.101 -3.992) 16.311 11.019 ( 0.768 -1.821 -0.661) 2.084 11.062 ( -1.904 -0.969 1.582) 2.658 11.473 ( -2.288 5.208 -17.852) 18.736 11.708 ( -0.393 10.934 -0.715) 10.964 11.958 ( 6.873 -3.271 -3.178) 8.249 12.249 ( 5.915 -1.331 -4.413) 7.499 12.473 ( 3.894 11.789 -10.719) 16.402 12.784 ( -5.939 10.156 -4.399) 12.561 13.246 ( -3.365 -1.592 10.736) 11.363 13.949 ( 8.402 -11.827 10.227) 17.750 14.221 ( 2.020 -3.569 -4.690) 6.230 14.708 ( -8.174 4.559 -4.530) 10.398 14.927 ( -0.627 -3.884 -8.158) 9.058 15.446 ( -4.574 -3.713 -0.710) 5.934 16.244 ( -1.402 -0.693 6.071) 6.269 16.381 ( -9.214 -7.227 4.243) 12.455 16.695 ( 7.520 4.163 5.787) 10.362 17.315 ( -1.054 7.181 17.205) 18.673 17.789 ( 4.306 -11.615 -15.300) 19.686 19.285 ( 10.907 9.087 7.145) 15.893 20.361 ( 0.469 0.687 -9.663) 9.699 21.929 ( 6.227 2.822 -13.424) 15.064 22.291 ( 2.751 -0.229 -12.408) 12.712 25.099 ( 0.992 1.791 5.219) 5.606 26.552 ( -7.181 2.683 -4.982) 9.142 26.768 ( -14.112 0.730 -9.055) 16.783 28.051 ( 17.391 1.262 -7.177) 18.856 29.568 ( -4.903 5.158 10.361) 12.570 29.834 ( 0.903 -5.835 13.447) 14.686 30.179 ( -4.090 -10.357 14.931) 18.626 30.339 ( -2.413 1.316 6.764) 7.301 31.096 ( -11.311 -9.353 2.293) 14.856 31.518 ( 2.733 9.845 3.566) 10.822 31.997 ( -6.918 -3.491 0.631) 7.775 33.241 ( 17.122 3.694 -19.289) 26.055 ======================= Grid point 136 (63/186) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -13.163 30.549 -2.742) 33.377 3.353 ( -19.387 29.792 19.402) 40.495 3.716 ( -9.892 -1.258 6.182) 11.733 4.627 ( -5.267 5.746 1.461) 7.930 4.828 ( -7.933 27.613 14.992) 32.406 5.130 ( -5.133 -3.715 27.564) 28.283 5.194 ( -9.287 1.853 21.912) 23.871 5.647 ( 10.765 -12.043 17.097) 23.520 5.852 ( -7.633 -1.315 20.376) 21.798 6.280 ( -4.984 -1.305 3.210) 6.070 6.453 ( -5.741 11.195 2.288) 12.787 6.762 ( 4.648 -12.629 6.361) 14.885 7.032 ( -4.749 -1.000 0.102) 4.854 7.247 ( 3.783 0.567 -0.264) 3.834 7.549 ( -5.933 0.372 7.917) 9.900 8.095 ( -3.064 -11.657 -9.870) 15.579 8.370 ( -3.411 -1.471 -0.719) 3.784 8.574 ( 3.989 1.291 2.764) 5.022 9.018 ( 2.812 -5.832 9.962) 11.881 9.133 ( 4.572 0.739 1.685) 4.929 9.301 ( -9.066 9.126 2.806) 13.166 9.468 ( -4.168 -7.946 -9.611) 13.148 9.692 ( 10.532 -5.808 -4.843) 12.966 10.254 ( -4.153 -10.286 0.479) 11.103 10.696 ( 2.025 -0.496 2.985) 3.641 10.787 ( -8.337 6.245 -3.666) 11.043 11.173 ( -0.607 0.934 -10.937) 10.993 11.399 ( -1.812 -8.378 -0.137) 8.573 11.562 ( 5.883 11.301 -7.400) 14.734 11.927 ( 1.518 13.136 -10.891) 17.131 12.193 ( -0.832 3.529 -1.452) 3.906 12.380 ( 3.847 8.361 0.021) 9.204 12.647 ( -3.189 -4.015 -5.597) 7.591 13.271 ( -2.783 -1.997 12.069) 12.546 14.228 ( 11.095 -1.938 -9.547) 14.765 14.401 ( 5.810 -11.286 0.829) 12.720 14.561 ( -3.575 -1.878 3.050) 5.061 14.997 ( 0.738 -8.601 -8.242) 11.935 15.484 ( 2.722 -5.325 -0.030) 5.981 16.262 ( -3.575 -4.050 9.065) 10.553 16.449 ( -2.668 -8.453 6.965) 11.273 16.750 ( 9.158 7.648 4.349) 12.700 17.269 ( -0.268 6.740 15.835) 17.212 17.967 ( 6.120 -10.760 -14.591) 19.135 19.324 ( 8.399 6.550 5.597) 12.032 20.307 ( -2.024 0.784 -4.118) 4.655 21.880 ( 5.880 6.280 -15.146) 17.418 22.258 ( 2.168 1.151 -14.198) 14.408 25.133 ( 5.201 2.706 7.164) 9.257 26.296 ( -21.687 -1.822 -21.300) 30.452 26.538 ( -11.637 5.786 6.744) 14.642 28.271 ( 18.042 -2.385 -6.975) 19.490 29.474 ( -4.414 4.060 8.471) 10.379 30.030 ( 5.647 -5.753 14.321) 16.434 30.329 ( -1.566 -3.783 4.887) 6.375 30.374 ( -3.305 -9.538 18.181) 20.795 31.079 ( -14.246 -10.217 1.418) 17.588 31.415 ( -0.984 7.867 4.585) 9.159 31.895 ( -9.205 0.774 -4.062) 10.091 33.342 ( 23.794 10.001 -17.172) 31.001 ======================= Grid point 137 (64/186) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -10.720 29.574 13.401) 34.193 2.656 ( -23.615 35.270 19.452) 46.691 3.574 ( -17.076 7.869 22.210) 29.100 4.122 ( -11.204 32.961 24.887) 42.794 4.607 ( -11.231 -0.978 1.061) 11.323 5.180 ( -3.937 1.958 20.680) 21.142 5.276 ( 0.865 -4.469 20.677) 21.173 5.795 ( -18.206 -3.534 21.469) 28.370 5.939 ( 7.564 3.066 15.403) 17.432 6.226 ( -9.714 0.018 10.699) 14.452 6.306 ( 2.255 2.741 2.524) 4.356 6.934 ( 4.717 -3.087 -4.108) 6.975 7.120 ( -5.935 -10.239 1.758) 11.965 7.290 ( 2.691 0.843 3.443) 4.451 7.450 ( -7.617 -0.604 3.664) 8.474 8.187 ( -3.277 -11.812 -12.342) 17.395 8.377 ( 1.885 -1.235 -4.083) 4.664 8.628 ( 6.967 -0.538 -2.741) 7.506 9.033 ( 3.488 7.289 -0.345) 8.088 9.097 ( -3.600 7.953 8.554) 12.222 9.224 ( 1.162 -3.606 1.021) 3.923 9.548 ( -2.021 -11.872 -8.346) 14.652 9.921 ( 7.272 -8.003 -1.850) 10.971 10.279 ( 0.916 0.291 -10.439) 10.483 10.560 ( -8.429 3.222 -1.430) 9.137 10.660 ( -5.626 5.747 5.125) 9.536 11.096 ( -8.669 -6.281 -8.402) 13.609 11.310 ( -10.770 12.428 -8.175) 18.365 11.476 ( 7.526 7.950 -7.401) 13.214 11.804 ( 3.043 3.104 7.673) 8.819 12.197 ( 3.444 -2.171 -4.769) 6.271 12.350 ( 8.734 2.998 0.233) 9.237 12.663 ( -3.221 -4.135 -4.496) 6.906 13.351 ( 2.610 -1.756 13.363) 13.728 14.175 ( -5.879 3.608 -11.926) 13.777 14.583 ( 10.509 -4.251 0.583) 11.351 14.749 ( 7.004 -7.156 1.238) 10.089 15.107 ( -1.802 -12.273 -4.753) 13.284 15.682 ( 10.848 -8.614 -8.555) 16.281 16.366 ( 2.329 -5.678 2.858) 6.770 16.599 ( -2.491 -11.632 9.109) 14.983 16.749 ( 8.201 10.360 13.410) 18.826 17.266 ( 4.788 5.978 16.249) 17.964 18.095 ( -0.950 -8.826 -13.825) 16.429 19.365 ( 2.623 0.639 3.978) 4.807 20.266 ( -2.210 0.266 2.365) 3.248 21.788 ( 6.047 7.845 -15.274) 18.204 22.203 ( 3.398 2.049 -18.294) 18.719 25.208 ( 7.558 3.820 8.431) 11.950 25.911 ( -24.206 -1.099 -18.314) 30.373 26.352 ( -8.111 6.218 9.978) 14.283 28.522 ( 13.425 -6.983 -6.314) 16.397 29.408 ( -3.341 2.710 8.014) 9.096 30.217 ( 4.625 -2.403 7.650) 9.256 30.414 ( 7.213 -1.037 6.077) 9.489 30.535 ( -12.153 -14.640 12.004) 22.497 31.016 ( -15.666 -6.388 1.462) 16.982 31.342 ( -2.787 -0.225 10.465) 10.832 31.742 ( -5.247 2.509 -6.525) 8.741 33.397 ( 23.942 17.515 -16.740) 34.062 ======================= Grid point 138 (65/186) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.026 15.412 35.591) 38.798 1.997 ( -13.221 29.289 34.657) 47.263 3.274 ( -9.383 21.743 56.891) 61.623 3.851 ( -3.637 5.906 9.342) 11.635 4.462 ( -12.941 -0.868 -0.990) 13.008 5.170 ( -3.816 2.228 17.693) 18.237 5.459 ( -1.261 -7.935 17.533) 19.286 5.672 ( -20.775 -2.888 22.358) 30.656 5.933 ( -2.911 11.530 27.838) 30.272 6.159 ( -7.519 -2.432 10.742) 13.335 6.346 ( 0.122 0.348 0.246) 0.444 6.909 ( -10.012 4.592 -12.928) 16.984 7.023 ( -4.217 -1.458 -9.298) 10.313 7.382 ( 5.797 -3.465 5.763) 8.878 7.465 ( 0.458 -1.737 5.258) 5.556 8.248 ( -2.822 -2.573 -7.946) 8.816 8.449 ( 0.837 -15.960 -9.553) 18.619 8.764 ( 9.882 -0.771 -1.934) 10.099 8.979 ( 5.447 5.953 0.517) 8.086 9.027 ( 2.635 4.193 -0.761) 5.011 9.224 ( 0.237 5.859 0.872) 5.928 9.663 ( 5.163 -6.239 -6.651) 10.480 9.995 ( -5.508 -1.718 -5.136) 7.725 10.306 ( -1.364 -2.316 -4.378) 5.137 10.346 ( -9.501 1.235 -2.653) 9.942 10.586 ( 2.145 3.062 1.707) 4.110 10.941 ( -7.207 11.103 -9.262) 16.155 11.056 ( -5.666 -4.223 -2.771) 7.591 11.427 ( 7.572 6.662 -9.419) 13.800 11.837 ( -1.757 1.160 15.443) 15.586 12.226 ( 1.897 -0.580 -7.467) 7.726 12.562 ( 13.956 -5.527 1.812) 15.120 12.638 ( -2.951 -0.982 -2.085) 3.745 13.496 ( 6.697 -1.830 12.533) 14.328 13.958 ( -11.843 3.186 -9.046) 15.239 14.771 ( 11.131 -0.878 -0.049) 11.166 14.910 ( 6.616 -3.735 -1.346) 7.716 15.291 ( -0.285 -16.981 -5.953) 17.997 15.846 ( 8.377 -3.653 -16.443) 18.812 16.348 ( 4.615 12.215 -15.545) 20.301 16.694 ( -5.801 -5.635 6.969) 10.675 16.922 ( 2.809 -6.711 18.820) 20.177 17.414 ( 15.129 2.785 18.970) 24.423 18.081 ( -11.694 -8.953 -3.356) 15.105 19.378 ( -8.742 -3.390 1.233) 9.457 20.232 ( -6.812 -0.301 2.236) 7.176 21.701 ( 6.383 6.104 -13.482) 16.117 22.137 ( 4.675 2.491 -22.312) 22.932 25.243 ( 1.309 5.070 6.965) 8.713 25.688 ( 2.739 -0.498 -2.851) 3.985 26.253 ( -2.490 3.339 12.691) 13.357 28.746 ( 4.652 -9.242 -7.967) 13.058 29.377 ( -2.059 1.306 8.619) 8.957 30.302 ( -0.110 -3.754 1.127) 3.921 30.459 ( -4.780 2.704 -1.826) 5.787 30.602 ( -7.401 -6.739 4.769) 11.088 30.876 ( -5.445 0.929 0.938) 5.603 31.482 ( -1.795 -10.725 14.340) 17.997 31.671 ( 0.580 -2.559 -3.365) 4.267 33.277 ( 10.706 22.134 -13.806) 28.198 ======================= Grid point 140 (66/186) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 19.727 0.000 36.475) 41.468 2.877 ( 22.271 0.000 29.033) 36.592 3.945 ( 6.491 0.000 3.109) 7.197 4.229 ( 12.734 0.000 13.599) 18.630 4.540 ( 20.594 0.000 55.388) 59.093 5.062 ( -15.808 -0.000 -6.602) 17.131 5.186 ( -8.371 -0.000 14.868) 17.062 5.435 ( -0.962 -0.000 41.656) 41.667 5.684 ( -14.602 -0.000 26.338) 30.115 5.969 ( -2.050 -0.000 -1.829) 2.747 6.406 ( -2.604 -0.000 18.567) 18.749 6.606 ( -0.169 -0.000 -17.428) 17.428 6.982 ( 0.913 0.000 -1.599) 1.841 7.294 ( -1.051 -0.000 -5.941) 6.033 7.919 ( 17.360 0.000 -2.164) 17.494 7.958 ( -8.908 -0.000 -3.224) 9.473 8.627 ( -18.604 -0.000 -5.216) 19.322 8.680 ( -0.217 -0.000 -16.929) 16.931 8.733 ( -1.243 -0.000 -3.161) 3.397 9.126 ( -3.379 -0.000 -5.887) 6.788 9.411 ( -13.710 -0.000 13.544) 19.272 9.489 ( -0.085 -0.000 -6.712) 6.713 9.682 ( 8.146 0.000 -5.262) 9.698 9.990 ( -2.932 -0.000 -11.735) 12.096 10.737 ( 11.136 0.000 -4.497) 12.010 10.834 ( 18.826 0.000 -3.816) 19.209 10.938 ( 4.548 0.000 2.342) 5.116 11.153 ( 10.231 0.000 0.150) 10.232 11.513 ( 2.915 0.000 -9.075) 9.531 11.951 ( 0.995 0.000 11.119) 11.164 12.280 ( 10.896 0.000 -8.303) 13.699 12.489 ( -9.559 -0.000 4.076) 10.392 13.018 ( 2.783 0.000 10.773) 11.127 13.280 ( -10.415 -0.000 -11.650) 15.627 13.819 ( 3.184 0.000 2.741) 4.202 15.065 ( 0.456 0.000 6.640) 6.656 15.080 ( -1.238 -0.000 -0.228) 1.259 15.211 ( -5.237 -0.000 -19.718) 20.402 15.430 ( -29.497 -0.000 -1.181) 29.520 15.897 ( -4.936 -0.000 -3.746) 6.197 16.647 ( 11.415 0.000 -15.152) 18.971 16.856 ( -22.527 -0.000 15.053) 27.093 17.401 ( 4.079 0.000 21.889) 22.266 17.508 ( -35.554 -0.000 4.155) 35.796 19.278 ( 17.558 0.000 9.116) 19.783 20.356 ( 13.224 0.000 -10.442) 16.849 21.798 ( 6.071 0.000 -9.255) 11.068 22.129 ( 9.599 0.000 -19.031) 21.315 25.124 ( -4.906 -0.000 5.717) 7.533 26.630 ( 6.359 0.000 19.130) 20.159 26.863 ( 24.893 0.000 -28.215) 37.626 28.268 ( -9.867 -0.000 -15.319) 18.222 29.505 ( 0.505 0.000 14.933) 14.941 29.993 ( -9.330 -0.000 5.903) 11.041 29.994 ( -13.649 -0.000 -2.459) 13.869 30.428 ( -3.179 -0.000 -2.273) 3.909 31.137 ( -11.319 -0.000 19.516) 22.561 31.594 ( 0.598 0.000 5.047) 5.082 31.957 ( 7.164 0.000 -0.893) 7.219 32.798 ( 5.819 0.000 -7.210) 9.265 ======================= Grid point 141 (67/186) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 17.065 -11.216 25.841) 32.936 3.285 ( 12.934 -7.298 17.976) 23.317 4.038 ( 7.631 2.373 1.846) 8.202 4.337 ( 11.561 18.038 18.740) 28.465 4.831 ( 1.299 -6.361 19.328) 20.389 4.988 ( -6.048 -0.907 20.467) 21.361 5.302 ( -16.318 -10.567 38.973) 43.553 5.653 ( -3.439 -2.623 18.921) 19.409 5.727 ( 9.551 2.851 22.512) 24.620 5.966 ( 14.655 -2.452 10.970) 18.469 6.439 ( -2.700 0.072 -2.758) 3.860 6.574 ( -6.111 -11.487 2.217) 13.199 6.913 ( 0.237 7.958 -4.812) 9.303 7.312 ( 3.788 -1.741 -4.324) 6.007 7.771 ( -11.865 6.536 -8.128) 15.798 8.146 ( 17.334 0.564 -2.301) 17.495 8.314 ( -12.142 2.830 1.975) 12.623 8.485 ( -4.752 1.769 -8.390) 9.803 8.883 ( -3.459 -8.714 -4.160) 10.256 9.026 ( -7.010 0.423 -7.270) 10.108 9.350 ( -5.603 -6.151 4.151) 9.298 9.451 ( -3.442 -2.479 -5.207) 6.716 9.743 ( 1.598 2.913 -5.283) 6.241 9.871 ( -3.416 -0.641 -11.078) 11.610 10.751 ( 0.279 13.232 3.792) 13.767 10.913 ( 16.543 10.890 -1.804) 19.888 11.148 ( 11.423 -14.793 -5.134) 19.382 11.307 ( 13.957 4.046 -2.283) 14.710 11.581 ( 1.064 -6.217 -8.973) 10.968 12.013 ( 4.147 1.073 7.403) 8.553 12.310 ( -10.796 3.123 -0.306) 11.243 12.472 ( 14.687 -5.295 -5.467) 16.542 13.071 ( 1.909 2.165 8.760) 9.223 13.165 ( -7.441 -4.321 -4.929) 9.916 13.863 ( 3.530 1.501 2.994) 4.866 14.725 ( -16.895 25.384 9.140) 31.833 15.007 ( -5.834 3.417 -4.451) 8.094 15.037 ( -10.767 0.221 -5.575) 12.127 15.268 ( -9.155 -9.489 -6.226) 14.581 15.936 ( -4.667 -12.701 -2.278) 13.722 16.559 ( -9.211 8.060 2.941) 12.588 16.775 ( 2.480 0.536 -0.194) 2.545 17.193 ( -22.631 -11.430 -2.633) 25.490 17.521 ( 1.723 0.892 19.330) 19.427 19.510 ( 18.808 6.851 8.941) 21.923 20.448 ( 10.555 2.668 -13.965) 17.707 21.849 ( 5.918 -2.219 -11.498) 13.121 22.198 ( 8.114 -2.117 -14.335) 16.608 25.106 ( -1.941 -0.313 5.902) 6.221 26.742 ( 2.727 3.531 12.411) 13.188 26.907 ( -1.250 -1.582 -23.915) 24.000 28.129 ( 5.521 5.251 -14.058) 15.990 29.583 ( 1.010 -0.173 17.070) 17.101 29.819 ( -11.903 0.345 1.231) 11.972 29.923 ( -8.289 -3.372 6.778) 11.226 30.376 ( -4.747 -0.993 -0.077) 4.850 31.010 ( -16.272 0.319 18.901) 24.943 31.685 ( -1.202 -8.073 5.614) 9.907 31.963 ( 9.052 10.748 -2.055) 14.202 32.981 ( 14.168 -7.323 -12.813) 20.458 ======================= Grid point 142 (68/186) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( -2.816 -1.899 4.798) 5.879 3.730 ( 12.070 -15.139 14.142) 23.976 4.058 ( 11.017 8.022 3.291) 14.020 4.329 ( 13.555 14.051 21.533) 29.066 4.947 ( -2.259 3.542 8.241) 9.250 5.190 ( 2.694 -15.431 31.292) 34.993 5.243 ( -21.329 2.555 40.237) 45.612 5.644 ( -3.082 6.581 15.126) 16.781 5.763 ( -4.955 -1.629 10.567) 11.785 6.242 ( 9.118 7.615 4.665) 12.763 6.467 ( 4.379 -3.222 3.218) 6.318 6.779 ( -2.229 4.448 -6.318) 8.042 6.865 ( 4.531 -23.845 10.911) 26.612 7.321 ( -0.230 6.867 -6.670) 9.576 7.454 ( -8.516 3.150 -4.594) 10.176 8.239 ( -0.840 7.711 1.273) 7.860 8.312 ( 3.647 -8.840 2.974) 10.014 8.461 ( 1.190 -1.174 -3.415) 3.802 8.809 ( -4.888 7.238 5.652) 10.403 8.928 ( -3.880 -2.932 1.935) 5.234 9.420 ( -6.569 -4.281 -6.239) 10.020 9.465 ( -3.090 -12.801 -7.626) 15.217 9.626 ( -4.317 1.766 -5.736) 7.393 9.882 ( 3.035 -6.387 -7.538) 10.336 10.518 ( 0.761 14.331 -1.143) 14.396 11.044 ( 18.205 7.074 5.689) 20.343 11.260 ( -3.817 9.232 -1.721) 10.137 11.493 ( 11.312 -9.207 -10.356) 17.888 11.615 ( -1.992 -9.514 -6.143) 11.499 12.013 ( -1.552 6.208 1.395) 6.549 12.240 ( 7.702 0.372 -5.599) 9.530 12.684 ( 10.676 0.361 -11.601) 15.770 13.106 ( 1.223 3.981 9.593) 10.458 13.154 ( -1.712 -7.263 -0.044) 7.462 13.842 ( -3.118 9.094 12.599) 15.848 14.281 ( -7.796 11.610 7.769) 15.997 14.791 ( -16.990 -0.509 -1.595) 17.073 14.876 ( -2.778 1.724 -20.603) 20.861 15.294 ( -4.926 -6.707 2.469) 8.680 16.070 ( -1.413 -10.841 -1.230) 11.001 16.362 ( -10.439 4.441 10.792) 15.657 16.774 ( -0.103 0.964 5.902) 5.981 17.190 ( -5.848 -14.473 -11.202) 19.213 17.591 ( 0.795 0.530 12.857) 12.893 19.648 ( 18.531 12.468 6.345) 23.219 20.442 ( 5.828 4.397 -13.761) 15.577 21.913 ( 4.928 -3.041 -12.517) 13.792 22.263 ( 5.618 -1.420 -12.050) 13.371 25.129 ( 1.568 0.405 6.549) 6.746 26.612 ( -13.636 1.405 -21.626) 25.605 26.813 ( -6.551 1.926 10.325) 12.379 28.144 ( 14.992 4.404 -12.951) 20.295 29.665 ( -8.678 -2.845 7.559) 11.855 29.700 ( -0.120 2.117 17.606) 17.733 29.942 ( -4.701 -7.162 6.749) 10.906 30.339 ( -3.796 -1.037 3.472) 5.247 30.893 ( -15.503 -3.975 12.752) 20.463 31.793 ( -3.802 -7.802 1.958) 8.897 31.891 ( 7.196 12.926 0.307) 14.798 33.215 ( 17.457 -4.272 -16.291) 24.256 ======================= Grid point 143 (69/186) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -4.702 10.821 -0.892) 11.832 3.764 ( -2.017 15.622 11.841) 19.706 4.284 ( 3.178 23.889 16.363) 29.129 4.407 ( 8.549 -19.138 1.772) 21.035 4.945 ( 5.879 1.947 7.668) 9.857 5.114 ( -9.351 -0.142 17.810) 20.116 5.431 ( -8.281 -2.185 45.000) 45.808 5.537 ( -15.135 9.168 22.364) 28.518 5.829 ( 6.618 -7.230 6.022) 11.504 6.318 ( 5.936 1.829 7.764) 9.942 6.497 ( -0.992 0.286 1.893) 2.156 6.615 ( -5.868 5.762 -3.139) 8.802 7.151 ( 1.699 3.302 1.145) 3.886 7.274 ( -0.629 -13.283 -5.067) 14.230 7.423 ( -0.161 -3.590 1.725) 3.986 8.002 ( -13.020 12.515 4.853) 18.700 8.344 ( -3.636 2.904 -2.611) 5.336 8.529 ( 6.411 -5.603 5.023) 9.885 8.855 ( 7.652 -1.344 6.181) 9.928 9.020 ( 1.930 -8.264 6.257) 10.544 9.310 ( -11.428 -1.999 -1.453) 11.692 9.468 ( -6.935 -1.750 -8.091) 10.799 9.632 ( 3.129 -5.324 -2.523) 6.671 9.980 ( 0.016 -0.737 -1.493) 1.664 10.506 ( 9.334 -9.548 -8.061) 15.597 10.982 ( -12.777 7.139 -2.602) 14.865 11.194 ( 13.986 6.845 4.334) 16.163 11.480 ( -1.210 7.942 -13.202) 15.454 11.820 ( 5.406 -4.508 -1.632) 7.225 11.970 ( 6.089 -3.893 -3.609) 8.079 12.295 ( 4.045 2.278 -8.173) 9.400 12.618 ( 3.265 11.389 -13.641) 18.068 12.951 ( -3.952 17.190 5.415) 18.451 13.242 ( -2.331 0.764 8.644) 8.985 13.836 ( -2.734 -13.800 17.007) 22.071 14.232 ( 6.198 -0.191 -4.048) 7.405 14.618 ( -10.294 -0.227 -3.783) 10.969 14.786 ( 1.061 -4.554 -16.435) 17.088 15.344 ( -2.330 -5.208 3.384) 6.633 16.185 ( -2.487 -8.655 0.946) 9.055 16.243 ( -8.023 2.448 14.907) 17.105 16.842 ( 3.096 -3.342 7.103) 8.438 17.283 ( -2.460 -8.131 -2.557) 8.871 17.655 ( 1.768 -4.149 -0.562) 4.545 19.687 ( 15.767 15.097 -0.605) 21.838 20.384 ( 2.795 4.299 -7.600) 9.168 21.948 ( 3.128 -1.455 -13.007) 13.457 22.283 ( 4.236 0.399 -12.449) 13.156 25.190 ( 4.652 1.146 7.826) 9.176 26.265 ( -21.546 -0.069 -21.654) 30.547 26.711 ( -7.953 5.488 11.731) 15.198 28.258 ( 15.479 1.122 -12.442) 19.891 29.567 ( -8.241 0.860 6.994) 10.843 29.838 ( 2.055 -3.636 22.419) 22.805 30.050 ( -2.646 -9.698 5.430) 11.426 30.347 ( 0.099 -0.732 7.561) 7.597 30.815 ( -15.516 -7.098 8.263) 18.957 31.753 ( 4.507 12.279 -5.455) 14.172 31.838 ( -6.559 -2.596 5.609) 9.012 33.432 ( 19.406 -1.943 -18.247) 26.708 ======================= Grid point 144 (70/186) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 5.730 31.580 0.408) 32.098 3.538 ( -14.266 8.128 24.214) 29.256 3.829 ( -6.964 35.551 1.999) 36.281 4.563 ( -5.538 -1.784 -1.689) 6.059 5.092 ( -0.680 -1.982 20.915) 21.020 5.177 ( 3.525 -0.708 -0.875) 3.700 5.246 ( -14.088 13.202 33.950) 39.055 5.585 ( -7.768 -5.723 39.862) 41.013 5.896 ( -0.727 1.044 0.814) 1.510 6.303 ( 0.916 7.737 4.389) 8.942 6.479 ( -4.872 2.549 1.332) 5.658 6.676 ( 5.991 -11.912 13.919) 19.275 7.067 ( -0.830 7.470 -0.255) 7.520 7.293 ( -0.386 -1.376 -4.284) 4.516 7.503 ( -5.301 3.231 6.247) 8.807 7.801 ( -7.076 -10.204 -2.812) 12.732 8.376 ( 7.215 -2.278 -0.228) 7.570 8.615 ( -0.945 -0.132 -0.427) 1.046 8.988 ( 1.436 -4.701 2.189) 5.381 9.114 ( -0.849 -2.711 2.371) 3.700 9.317 ( -0.079 -1.107 5.216) 5.332 9.328 ( -7.718 -2.739 -1.762) 8.377 9.729 ( 3.925 -0.222 -0.613) 3.979 10.018 ( -2.834 -12.615 0.060) 12.929 10.712 ( -5.194 2.735 0.520) 5.894 10.813 ( 6.838 -1.761 -6.406) 9.534 11.146 ( -3.023 9.365 -19.031) 21.425 11.342 ( 3.205 1.352 6.048) 6.977 11.844 ( 9.926 10.231 -1.706) 14.356 12.068 ( 1.457 9.683 -10.378) 14.269 12.237 ( -1.908 -1.633 -0.843) 2.649 12.412 ( 1.042 4.852 -15.208) 15.997 12.683 ( -2.490 13.447 5.017) 14.567 13.259 ( -1.061 -3.197 11.783) 12.256 14.123 ( -4.307 -16.410 -1.001) 16.996 14.364 ( 11.370 -5.616 -9.313) 15.734 14.504 ( -4.420 -2.651 2.693) 5.816 14.889 ( 7.029 -5.807 -6.511) 11.204 15.436 ( 3.101 -7.206 -0.396) 7.855 16.197 ( -5.989 -2.022 15.061) 16.334 16.300 ( -2.633 -9.073 6.272) 11.340 16.960 ( 3.236 -0.880 6.407) 7.231 17.340 ( 0.483 -1.765 7.745) 7.958 17.745 ( -0.731 -9.620 -12.963) 16.159 19.619 ( 8.440 13.522 -7.963) 17.818 20.340 ( 2.260 4.505 0.754) 5.097 21.927 ( 1.774 1.193 -12.876) 13.052 22.266 ( 4.823 1.992 -15.107) 15.983 25.282 ( 6.432 1.263 9.044) 11.169 25.903 ( -19.119 0.830 -15.469) 24.607 26.555 ( -8.110 6.946 10.056) 14.668 28.393 ( 10.914 -2.060 -11.848) 16.240 29.489 ( -5.554 1.799 8.125) 10.005 30.031 ( 0.359 -6.902 22.207) 23.258 30.164 ( -4.559 -9.616 2.127) 10.853 30.443 ( 7.060 -0.561 10.177) 12.399 30.759 ( -15.268 -8.857 8.302) 19.506 31.584 ( 0.839 12.882 -2.375) 13.126 31.783 ( -5.803 0.287 1.020) 5.899 33.618 ( 18.257 0.033 -21.234) 28.003 ======================= Grid point 145 (71/186) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 10.040 40.969 14.133) 44.486 3.101 ( -8.614 42.857 14.912) 46.188 3.486 ( -9.830 -2.359 15.616) 18.602 4.441 ( -8.923 2.479 -2.507) 9.595 4.764 ( -5.740 38.077 36.699) 53.194 5.198 ( -4.508 -1.311 15.191) 15.900 5.328 ( 2.740 -3.309 7.448) 8.598 5.540 ( -22.140 -1.445 33.449) 40.138 6.038 ( -4.708 -9.929 8.549) 13.923 6.237 ( 4.968 7.900 7.184) 11.777 6.340 ( -5.401 2.798 1.307) 6.221 6.937 ( 1.477 -4.798 6.106) 7.905 6.997 ( -1.527 2.171 -3.389) 4.304 7.316 ( -6.899 -4.820 3.566) 9.140 7.391 ( 5.621 2.894 3.741) 7.346 7.927 ( -0.842 -13.013 -5.877) 14.303 8.355 ( -6.956 4.758 -4.532) 9.569 8.712 ( 12.830 -4.827 -1.357) 13.775 9.085 ( 0.993 -5.121 -5.135) 7.319 9.120 ( 2.410 0.755 -2.838) 3.799 9.206 ( -6.256 4.183 9.151) 11.848 9.486 ( 5.549 -8.788 8.912) 13.691 9.797 ( -4.215 -10.189 -1.105) 11.082 10.186 ( 0.867 -9.534 -5.312) 10.948 10.526 ( -7.171 9.400 -0.821) 11.851 10.722 ( -5.581 12.852 -1.129) 14.057 10.949 ( 0.525 1.871 -10.122) 10.307 11.387 ( -0.602 8.642 -1.379) 8.772 11.775 ( 11.014 16.219 -5.440) 20.346 11.864 ( -1.096 1.471 -0.051) 1.836 12.206 ( 3.669 1.814 -8.684) 9.600 12.445 ( 1.520 -6.624 -4.110) 7.943 12.556 ( -0.609 2.846 -0.618) 2.975 13.400 ( 3.950 -5.121 12.232) 13.836 14.058 ( -8.577 1.056 -18.170) 20.120 14.618 ( 6.174 -12.711 0.960) 14.164 14.634 ( 0.531 -11.389 4.270) 12.175 15.013 ( 6.489 -0.673 -2.272) 6.908 15.640 ( 8.775 -10.083 -9.148) 16.198 16.294 ( 0.229 -8.821 13.410) 16.052 16.426 ( -4.600 -9.574 8.582) 13.656 16.978 ( -1.103 3.037 7.838) 8.478 17.464 ( 9.537 -0.744 11.474) 14.939 17.746 ( -12.252 -9.479 -16.199) 22.413 19.466 ( -1.298 8.908 -8.463) 12.356 20.299 ( -0.211 4.902 2.871) 5.685 21.861 ( 1.649 3.453 -12.012) 12.607 22.229 ( 6.085 3.162 -19.112) 20.304 25.365 ( 0.873 1.936 6.756) 7.081 25.688 ( 1.205 1.070 -4.689) 4.958 26.410 ( -4.282 6.529 10.831) 13.352 28.494 ( 2.931 -5.624 -11.122) 12.803 29.437 ( -3.282 2.175 9.076) 9.893 30.174 ( -4.231 -5.161 9.080) 11.268 30.251 ( -7.293 -10.628 8.778) 15.595 30.572 ( 3.728 0.523 6.479) 7.493 30.783 ( -4.138 -7.978 12.371) 15.291 31.410 ( -1.833 8.369 2.920) 9.051 31.709 ( -1.511 2.216 -1.789) 3.224 33.694 ( 11.198 4.618 -26.062) 28.740 ======================= Grid point 146 (72/186) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 17.936 31.425 29.374) 46.606 2.540 ( 3.163 35.314 26.082) 44.015 3.539 ( 0.606 -1.916 21.151) 21.246 4.223 ( -3.843 18.876 13.051) 23.268 4.398 ( -1.536 20.751 29.078) 35.756 5.175 ( -4.504 -0.397 0.717) 4.578 5.401 ( -15.932 -6.510 21.863) 27.825 5.467 ( -8.497 0.134 34.433) 35.466 5.994 ( -14.464 -0.313 14.639) 20.581 6.137 ( -6.309 5.542 -1.985) 8.629 6.384 ( 4.436 1.086 5.979) 7.523 6.797 ( -10.634 4.609 -2.897) 11.946 6.991 ( 2.354 1.134 -7.744) 8.173 7.347 ( -2.587 -4.759 5.114) 7.449 7.526 ( 11.129 -0.943 0.748) 11.194 8.127 ( 0.353 -17.796 -5.614) 18.664 8.192 ( -6.024 1.266 -5.035) 7.953 8.903 ( 8.019 1.924 0.623) 8.270 9.060 ( -6.291 2.961 7.081) 9.924 9.138 ( 14.076 0.094 -10.525) 17.576 9.223 ( -2.342 -4.186 1.432) 5.006 9.733 ( 10.696 -5.732 2.502) 12.390 9.826 ( -8.872 -2.521 -6.399) 11.226 10.216 ( -15.991 13.826 2.205) 21.254 10.273 ( 4.031 -9.264 -9.918) 14.158 10.565 ( -2.538 -4.478 2.731) 5.826 10.980 ( 6.324 2.859 -1.093) 7.026 11.092 ( -1.734 15.670 -8.804) 18.058 11.670 ( 9.972 13.853 -7.466) 18.630 11.894 ( -1.570 0.809 11.002) 11.143 12.219 ( 4.103 -0.227 -8.605) 9.536 12.515 ( -5.439 -5.839 -3.951) 8.904 12.646 ( 11.009 -7.084 1.883) 13.226 13.578 ( 4.826 -3.991 11.097) 12.742 13.817 ( -10.576 4.216 -15.815) 19.487 14.815 ( -3.775 -13.817 4.592) 15.041 14.863 ( 6.941 -8.694 -2.047) 11.312 15.088 ( 3.699 -2.747 -1.109) 4.739 15.785 ( 3.088 -5.134 -15.919) 17.009 16.443 ( 0.843 -0.093 -7.067) 7.118 16.510 ( -5.126 -7.135 3.862) 9.597 17.008 ( 2.081 -2.391 17.756) 18.037 17.462 ( -24.632 -0.272 5.819) 25.312 17.797 ( 8.230 -12.216 2.783) 14.991 19.239 ( -13.228 5.989 -3.761) 15.000 20.222 ( 0.135 4.572 0.264) 4.582 21.788 ( 3.553 4.014 -10.222) 11.542 22.174 ( 7.003 4.220 -22.261) 23.715 25.288 ( -6.249 3.353 4.942) 8.644 25.930 ( 31.042 -3.035 -1.844) 31.244 26.374 ( 3.268 4.114 14.406) 15.334 28.529 ( -7.311 -9.129 -11.801) 16.615 29.419 ( -1.288 1.719 10.748) 10.960 30.175 ( -7.415 -2.801 2.792) 8.404 30.287 ( -11.089 -6.309 4.686) 13.592 30.570 ( -6.132 0.742 6.514) 8.977 30.941 ( 9.649 -0.818 6.699) 11.775 31.404 ( 0.204 -5.962 14.926) 16.074 31.675 ( 2.967 2.130 -3.551) 5.094 33.502 ( -3.203 14.735 -26.831) 30.778 ======================= Grid point 149 (73/186) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 8.277 0.000 18.163) 19.960 3.467 ( 10.340 0.000 15.381) 18.533 4.165 ( 7.446 0.000 1.645) 7.625 4.770 ( 12.360 0.000 26.717) 29.438 4.903 ( 3.801 0.000 7.892) 8.760 5.011 ( -6.088 -0.000 36.868) 37.367 5.167 ( -13.105 -0.000 43.454) 45.387 5.619 ( -2.483 -0.000 14.616) 14.825 5.983 ( 5.087 0.000 -2.332) 5.596 6.219 ( -0.714 -0.000 30.409) 30.417 6.391 ( -3.255 -0.000 -19.229) 19.502 6.433 ( 17.795 0.000 14.674) 23.065 6.995 ( 0.767 0.000 -1.750) 1.911 7.347 ( 4.502 0.000 -1.253) 4.673 7.608 ( -14.738 -0.000 -7.306) 16.449 8.082 ( -9.318 -0.000 -0.264) 9.322 8.404 ( 19.738 0.000 -3.216) 19.999 8.578 ( 1.824 0.000 -16.758) 16.857 8.642 ( -2.081 -0.000 -7.939) 8.207 8.909 ( -5.539 -0.000 -8.247) 9.934 9.242 ( -8.150 -0.000 9.030) 12.164 9.399 ( -1.371 -0.000 -2.892) 3.201 9.693 ( -9.817 -0.000 -9.126) 13.404 9.837 ( 4.615 0.000 -5.462) 7.151 10.851 ( -5.324 -0.000 -2.591) 5.921 11.052 ( 3.220 0.000 -0.648) 3.284 11.214 ( 17.877 0.000 1.260) 17.921 11.535 ( 4.291 0.000 -8.792) 9.783 11.595 ( 13.303 0.000 -4.624) 14.084 12.088 ( -17.896 -0.000 -3.662) 18.267 12.143 ( 11.001 0.000 5.579) 12.335 12.601 ( 14.086 0.000 -6.121) 15.359 13.064 ( -1.896 -0.000 -1.429) 2.375 13.135 ( -2.811 -0.000 15.667) 15.918 13.937 ( 5.959 0.000 1.774) 6.218 14.795 ( -20.678 -0.000 5.807) 21.478 14.799 ( -13.543 -0.000 -16.124) 21.057 14.928 ( -8.529 -0.000 3.427) 9.192 15.067 ( -2.876 -0.000 6.163) 6.801 15.791 ( 0.870 0.000 -3.616) 3.719 16.460 ( -15.887 -0.000 13.351) 20.752 16.790 ( -22.470 -0.000 6.030) 23.265 16.911 ( 17.224 0.000 -19.082) 25.706 17.607 ( -1.042 -0.000 15.839) 15.873 19.852 ( 19.199 0.000 7.492) 20.609 20.535 ( 8.061 0.000 -16.338) 18.218 21.843 ( 4.736 0.000 -15.738) 16.435 22.236 ( 6.940 0.000 -9.850) 12.049 25.133 ( 1.823 0.000 7.359) 7.582 26.633 ( -16.702 -0.000 -27.104) 31.837 26.848 ( -2.408 -0.000 16.374) 16.551 28.230 ( 12.450 0.000 -17.361) 21.364 29.669 ( -0.088 -0.000 15.973) 15.974 29.688 ( -8.067 -0.000 -1.701) 8.244 29.813 ( -7.774 -0.000 13.304) 15.408 30.314 ( -3.374 -0.000 1.585) 3.728 30.852 ( -19.202 -0.000 20.855) 28.349 31.638 ( -1.200 -0.000 6.795) 6.900 32.140 ( 8.763 0.000 -7.431) 11.489 33.112 ( 18.816 0.000 -12.068) 22.353 ======================= Grid point 150 (74/186) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( -1.163 3.055 9.296) 9.854 3.729 ( 6.923 -12.094 16.273) 21.424 4.239 ( 5.996 3.090 0.250) 6.750 4.836 ( 4.784 14.564 26.030) 30.208 4.962 ( -2.834 -1.220 13.314) 13.666 5.200 ( -5.358 -1.121 24.017) 24.633 5.261 ( -0.988 -5.516 58.751) 59.018 5.702 ( -0.157 -1.959 11.229) 11.399 5.820 ( -3.028 15.410 6.982) 17.187 6.280 ( -2.189 -1.070 -12.203) 12.444 6.439 ( -1.024 -19.688 2.709) 19.900 6.746 ( 9.985 2.710 7.004) 12.495 6.911 ( 1.061 7.034 -1.090) 7.197 7.335 ( -8.556 0.763 -2.039) 8.829 7.395 ( -1.099 4.957 -1.613) 5.327 8.170 ( 1.191 -10.977 8.192) 13.748 8.377 ( 4.323 10.371 -10.897) 15.653 8.582 ( 9.325 3.971 -9.294) 13.752 8.788 ( 1.416 -10.686 -7.828) 13.322 8.855 ( 3.858 -1.434 0.335) 4.129 9.224 ( -7.368 -5.952 7.583) 12.133 9.359 ( 1.623 2.260 -7.320) 7.831 9.533 ( -6.422 0.085 -6.036) 8.814 9.850 ( 2.616 -0.391 -5.168) 5.806 10.679 ( -2.987 9.932 -2.924) 10.776 11.196 ( -0.591 -4.917 4.152) 6.462 11.341 ( -7.235 -0.651 -7.420) 10.384 11.482 ( 11.893 7.456 -0.650) 14.052 11.611 ( 7.421 2.154 -6.218) 9.918 11.962 ( -6.559 -5.255 -7.112) 11.010 12.349 ( 12.937 -0.189 -1.381) 13.011 12.779 ( 11.518 -2.663 -8.464) 14.539 13.053 ( -2.524 -2.861 7.009) 7.980 13.155 ( -3.585 -0.691 11.751) 12.305 14.003 ( 2.500 7.154 6.293) 9.850 14.456 ( -9.970 12.257 9.293) 18.331 14.542 ( -10.725 2.910 -13.836) 17.746 14.764 ( -6.732 3.545 -3.346) 8.311 15.172 ( -1.024 -7.548 7.137) 10.438 15.908 ( 2.872 -10.633 -2.281) 11.248 16.329 ( -10.197 1.853 15.568) 18.703 16.591 ( -18.132 -7.734 5.293) 20.410 17.076 ( 13.344 -3.667 -15.986) 21.144 17.631 ( -3.041 0.087 9.521) 9.996 20.059 ( 17.287 7.934 0.140) 19.021 20.520 ( 4.307 3.831 -12.291) 13.575 21.850 ( 3.125 -3.423 -17.796) 18.389 22.283 ( 5.173 -0.230 -8.143) 9.649 25.206 ( 3.973 0.163 8.595) 9.470 26.280 ( -18.974 0.616 -22.241) 29.241 26.829 ( -7.052 2.248 13.184) 15.120 28.307 ( 12.268 1.511 -17.180) 21.165 29.560 ( -7.643 1.334 3.373) 8.460 29.743 ( -5.611 -8.562 6.015) 11.873 29.855 ( 1.634 0.707 21.358) 21.433 30.313 ( -0.184 -1.119 6.261) 6.363 30.699 ( -17.086 -1.199 16.911) 24.070 31.675 ( -2.856 -3.845 6.017) 7.690 32.146 ( 7.859 8.944 -8.493) 14.625 33.324 ( 16.829 -3.604 -14.696) 22.631 ======================= Grid point 151 (75/186) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -4.973 5.220 11.494) 13.568 3.976 ( -0.772 1.460 11.012) 11.135 4.281 ( 3.690 -5.195 -0.092) 6.373 4.739 ( 1.015 19.512 19.958) 27.930 5.011 ( -3.078 -5.253 5.465) 8.181 5.153 ( -4.046 7.530 24.705) 26.142 5.441 ( -19.513 4.613 44.449) 48.763 5.653 ( 1.381 10.653 11.005) 15.379 5.812 ( 6.327 -8.870 14.827) 18.399 6.340 ( 1.647 -8.717 2.015) 9.097 6.522 ( -2.579 3.938 -3.848) 6.080 6.691 ( 1.249 9.696 -2.832) 10.178 7.010 ( 1.843 -18.286 -0.738) 18.393 7.268 ( 2.627 3.801 4.525) 6.467 7.317 ( -5.904 0.004 -4.076) 7.174 8.141 ( -5.372 11.688 6.319) 14.332 8.372 ( 0.791 4.439 -6.198) 7.665 8.535 ( 1.433 -2.252 1.351) 2.991 8.930 ( 6.848 -2.148 -0.711) 7.212 9.013 ( 9.990 -3.082 5.322) 11.731 9.171 ( -11.180 0.059 9.760) 14.841 9.351 ( 2.800 -1.042 -15.617) 15.900 9.547 ( 3.597 -7.066 -2.288) 8.253 9.950 ( 3.063 -7.152 -4.511) 8.993 10.521 ( 2.283 5.352 -4.145) 7.143 10.901 ( -14.332 7.641 -0.976) 16.271 11.417 ( 3.234 4.260 -12.437) 13.538 11.604 ( 4.183 1.277 2.978) 5.291 11.677 ( 6.662 -10.412 -2.414) 12.594 11.957 ( 1.996 -3.756 -10.077) 10.937 12.408 ( 5.812 6.590 -4.696) 9.963 12.797 ( 5.355 10.472 -6.935) 13.654 13.076 ( -7.774 3.895 12.293) 15.058 13.229 ( 0.793 -8.150 0.603) 8.210 13.765 ( -11.920 12.086 19.432) 25.803 14.334 ( 4.528 5.589 -7.635) 10.490 14.421 ( -4.406 -5.340 -7.288) 10.052 14.735 ( 6.428 -3.974 -2.712) 8.029 15.278 ( 0.057 -3.676 7.067) 7.966 16.052 ( -0.525 -7.086 -0.635) 7.134 16.254 ( -6.781 3.011 17.309) 18.832 16.626 ( -10.547 -18.777 6.989) 22.642 17.226 ( 7.790 -4.295 -7.221) 11.458 17.617 ( -2.470 -1.402 -1.722) 3.321 20.041 ( 9.255 13.816 -16.879) 23.694 20.490 ( 4.841 4.875 1.645) 7.064 21.867 ( 1.576 -4.431 -17.502) 18.123 22.306 ( 4.285 0.661 -9.204) 10.174 25.296 ( 3.810 -0.012 9.331) 10.079 25.956 ( -13.703 2.324 -15.884) 21.106 26.722 ( -8.710 4.175 10.310) 14.128 28.370 ( 9.399 0.068 -16.100) 18.643 29.484 ( -6.278 -0.894 5.262) 8.240 29.834 ( -6.058 -11.845 2.035) 13.459 29.971 ( 3.224 1.411 23.948) 24.205 30.403 ( 4.968 -2.004 11.693) 12.862 30.579 ( -15.168 -3.110 13.200) 20.347 31.699 ( -4.281 -2.804 2.927) 5.896 32.034 ( 5.142 13.440 -6.358) 15.732 33.522 ( 13.739 -4.982 -18.343) 23.453 ======================= Grid point 152 (76/186) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -1.989 2.562 15.482) 15.818 3.759 ( -3.868 24.828 11.800) 27.760 4.295 ( -2.150 21.288 1.131) 21.426 4.476 ( -3.540 10.216 0.458) 10.821 5.070 ( -7.145 -7.659 4.353) 11.343 5.123 ( -5.487 -2.032 13.650) 14.852 5.317 ( -12.549 1.134 39.697) 41.649 5.643 ( 0.049 0.629 22.342) 22.351 5.916 ( -5.104 7.011 4.945) 9.983 6.450 ( -1.012 1.145 -0.687) 1.675 6.461 ( -0.267 3.957 7.430) 8.422 6.697 ( 7.460 -6.220 13.411) 16.559 7.150 ( -1.865 -1.856 -6.703) 7.201 7.214 ( -1.511 6.119 -1.402) 6.456 7.386 ( -0.606 -14.029 3.323) 14.430 7.860 ( -0.364 19.144 11.378) 22.273 8.409 ( 5.097 -6.806 0.275) 8.507 8.512 ( -11.295 -1.738 0.325) 11.433 9.032 ( 10.479 2.740 -0.330) 10.836 9.097 ( -3.455 -2.631 0.327) 4.355 9.215 ( 3.814 -4.380 7.415) 9.419 9.311 ( 1.156 0.526 -6.525) 6.648 9.734 ( 1.374 -3.236 0.585) 3.564 9.866 ( -6.979 0.313 -2.428) 7.396 10.684 ( 5.248 -8.321 -0.659) 9.860 10.766 ( 3.539 -5.528 -4.925) 8.206 11.202 ( -2.107 12.608 -17.507) 21.678 11.575 ( 5.023 13.353 6.584) 15.713 11.845 ( -3.811 -8.644 -8.879) 12.965 12.086 ( 4.372 -11.471 -8.704) 15.049 12.306 ( 4.330 13.945 -2.492) 14.813 12.582 ( 3.001 17.766 -10.920) 21.069 12.863 ( -8.677 15.188 8.054) 19.257 13.270 ( 1.254 -0.341 10.408) 10.488 13.743 ( -12.695 -17.076 6.089) 22.132 14.372 ( -1.405 -6.740 -3.976) 7.951 14.430 ( 10.632 -0.322 -12.097) 16.108 14.955 ( 12.284 -4.423 2.933) 13.382 15.366 ( 1.407 -6.395 3.550) 7.448 16.138 ( -2.295 -7.011 3.809) 8.303 16.223 ( -3.950 0.348 17.769) 18.206 16.802 ( -8.757 -14.737 8.055) 18.941 17.362 ( 3.732 -5.637 5.790) 8.901 17.589 ( -1.434 -2.781 -16.973) 17.259 19.810 ( 0.346 13.689 -22.251) 26.127 20.484 ( 3.471 6.934 5.180) 9.325 21.870 ( 1.252 -2.914 -15.723) 16.040 22.301 ( 4.468 1.659 -12.006) 12.917 25.371 ( -0.104 -0.776 8.522) 8.558 25.760 ( 0.592 3.548 -7.866) 8.650 26.589 ( -6.475 5.180 9.343) 12.492 28.405 ( 3.852 -1.357 -15.376) 15.909 29.457 ( -4.037 -0.973 6.982) 8.124 29.930 ( -6.495 -11.897 -0.764) 13.576 30.088 ( 0.962 0.390 23.432) 23.455 30.499 ( -11.524 -4.586 9.734) 15.766 30.606 ( 9.156 -3.373 17.307) 19.868 31.655 ( -3.933 2.210 -2.796) 5.307 31.866 ( 1.824 12.223 -0.848) 12.388 33.661 ( 8.701 -4.787 -22.756) 24.828 ======================= Grid point 153 (77/186) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -1.057 32.075 18.172) 36.880 3.420 ( -0.147 -1.767 21.139) 21.213 3.779 ( 6.808 42.925 -0.097) 43.462 4.314 ( -10.329 1.189 -5.821) 11.916 5.029 ( -12.566 -4.305 13.320) 18.811 5.209 ( -2.980 -3.317 15.386) 16.019 5.365 ( 0.361 1.310 18.090) 18.141 5.604 ( -10.876 16.357 33.122) 38.509 5.822 ( -7.782 -7.860 7.632) 13.438 6.302 ( -10.196 7.673 -1.017) 12.801 6.396 ( 1.133 3.710 5.118) 6.422 6.933 ( 1.210 -1.978 10.018) 10.283 7.064 ( 0.146 7.941 -1.985) 8.186 7.215 ( 2.765 -5.848 1.439) 6.627 7.493 ( 1.615 -2.175 4.376) 5.146 7.827 ( 5.874 0.343 8.160) 10.060 8.288 ( -11.195 3.854 -0.274) 11.844 8.715 ( 4.374 -15.942 7.882) 18.314 9.042 ( -2.011 0.629 -12.977) 13.147 9.128 ( 7.186 2.618 -1.334) 7.764 9.287 ( 4.041 3.568 4.085) 6.764 9.417 ( 3.698 -10.304 6.484) 12.724 9.570 ( -11.938 -4.755 -0.639) 12.866 10.031 ( 2.585 -10.881 -0.831) 11.215 10.645 ( -1.834 13.118 1.088) 13.290 10.847 ( -1.262 10.729 -9.674) 14.501 11.003 ( 4.814 3.273 -8.492) 10.296 11.525 ( 6.364 3.766 3.058) 8.003 11.803 ( -5.563 0.742 -3.535) 6.633 12.081 ( 4.096 9.336 -9.289) 13.792 12.258 ( -3.848 -7.687 -12.022) 14.779 12.367 ( 8.430 15.531 -3.672) 18.049 12.637 ( -0.646 6.088 2.024) 6.448 13.417 ( 2.945 -6.453 14.582) 16.215 13.781 ( -11.939 -10.526 -12.010) 19.940 14.416 ( -4.840 -7.077 4.488) 9.677 14.619 ( 12.140 -7.347 -10.001) 17.360 15.113 ( 4.198 -0.011 4.733) 6.327 15.565 ( 7.242 -9.643 -4.210) 12.773 16.230 ( -1.629 -7.104 5.556) 9.165 16.311 ( -0.717 -5.648 18.457) 19.315 16.868 ( -10.547 -8.812 9.709) 16.827 17.449 ( -14.354 -1.252 -1.764) 14.516 17.581 ( 12.227 -5.969 -10.152) 16.976 19.495 ( -7.222 11.370 -17.615) 22.175 20.411 ( 0.395 7.909 1.924) 8.149 21.855 ( 2.410 -0.266 -13.206) 13.427 22.277 ( 5.300 2.602 -15.285) 16.386 25.351 ( -6.897 0.721 5.165) 8.647 25.868 ( 22.116 -0.393 -1.430) 22.166 26.507 ( -0.837 4.483 11.363) 12.244 28.370 ( -3.850 -2.382 -15.042) 15.709 29.459 ( -2.022 0.218 9.584) 9.797 29.996 ( -6.895 -9.959 -1.610) 12.219 30.163 ( -3.327 -0.100 18.838) 19.130 30.478 ( -10.117 -5.562 12.549) 17.052 30.877 ( 13.177 -2.976 14.373) 19.724 31.504 ( -3.508 8.163 -2.677) 9.280 31.769 ( 2.535 4.952 1.542) 5.773 33.669 ( 0.426 -1.185 -27.065) 27.094 ======================= Grid point 154 (78/186) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 7.710 23.696 25.882) 35.927 3.295 ( 9.437 36.015 20.215) 42.365 3.629 ( 12.689 -0.168 8.216) 15.117 4.135 ( -11.785 -1.187 -6.715) 13.615 4.997 ( -5.444 0.711 12.684) 13.822 5.202 ( 2.724 27.371 21.587) 34.965 5.269 ( -8.714 -1.880 28.970) 30.310 5.549 ( -2.013 0.673 25.410) 25.499 5.780 ( -18.826 -6.181 13.945) 24.230 6.069 ( -9.642 3.037 -4.163) 10.933 6.441 ( 1.434 -1.603 4.575) 5.055 6.806 ( -2.772 9.974 2.161) 10.575 7.060 ( 2.916 5.925 0.785) 6.650 7.290 ( -0.120 -3.703 0.525) 3.742 7.632 ( 6.259 -6.844 -3.504) 9.914 7.891 ( -1.878 -1.176 4.793) 5.281 8.192 ( 0.858 0.819 3.998) 4.170 8.932 ( -6.365 -8.741 11.589) 15.850 8.953 ( -6.542 -0.261 -7.992) 10.331 9.098 ( -4.855 -1.651 2.007) 5.507 9.385 ( 18.304 4.852 -6.748) 20.103 9.574 ( -6.006 -12.168 -1.525) 13.655 9.738 ( 7.116 -13.965 2.449) 15.864 10.139 ( 0.101 -5.145 -7.707) 9.267 10.290 ( -11.636 18.160 -0.595) 21.576 10.596 ( 2.227 11.140 -3.127) 11.783 11.090 ( 7.691 -1.795 1.408) 8.022 11.370 ( 5.144 21.435 -6.393) 22.952 11.851 ( 2.065 -5.416 -0.505) 5.818 11.967 ( 2.031 11.522 -5.430) 12.898 12.201 ( -5.022 -7.416 -5.504) 10.512 12.388 ( 7.040 0.472 -7.677) 10.427 12.687 ( 8.606 -4.043 1.947) 9.706 13.585 ( -4.361 -6.898 3.919) 9.053 13.664 ( -3.689 0.880 -7.704) 8.586 14.487 ( -11.098 -12.899 9.003) 19.251 14.832 ( 9.034 -7.732 -10.448) 15.829 15.147 ( -0.688 0.462 5.764) 5.823 15.678 ( -0.412 -2.836 -11.215) 11.575 16.294 ( -5.876 -6.013 2.336) 8.726 16.483 ( 3.449 -2.968 3.297) 5.619 16.911 ( -12.870 -8.979 11.733) 19.594 17.221 ( -11.633 1.200 9.245) 14.908 17.791 ( 7.047 -5.257 -7.319) 11.440 19.175 ( -9.048 7.702 -5.068) 12.918 20.324 ( 3.386 5.394 -3.133) 7.098 21.839 ( 4.650 1.657 -10.632) 11.722 22.241 ( 6.681 3.607 -17.493) 19.070 25.247 ( -8.079 1.687 4.249) 9.282 26.267 ( 28.866 -4.680 -4.571) 29.598 26.560 ( 9.791 1.313 12.389) 15.845 28.252 ( -10.959 -3.927 -14.386) 18.507 29.477 ( -0.748 1.141 12.662) 12.735 30.020 ( -7.750 -7.090 -1.215) 10.574 30.146 ( -8.088 1.737 13.738) 16.036 30.479 ( -8.242 -3.738 11.012) 14.253 31.095 ( 7.716 1.570 6.107) 9.964 31.413 ( 0.713 -1.789 8.545) 8.760 31.782 ( 7.033 3.704 0.263) 7.953 33.462 ( -7.655 6.968 -27.269) 29.168 ======================= Grid point 158 (79/186) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 0.504 0.000 8.926) 8.940 3.696 ( -4.323 -0.000 20.838) 21.282 4.327 ( 3.734 0.000 -0.372) 3.753 4.921 ( -10.124 -0.000 27.266) 29.085 5.085 ( -1.572 -0.000 10.793) 10.907 5.157 ( -10.006 -0.000 29.489) 31.141 5.455 ( -6.161 -0.000 59.900) 60.216 5.832 ( 13.475 0.000 6.577) 14.995 5.987 ( -11.894 -0.000 7.713) 14.176 6.185 ( 5.342 0.000 -19.611) 20.325 6.286 ( 11.969 0.000 6.488) 13.614 6.771 ( -9.245 -0.000 -0.247) 9.248 6.989 ( 0.576 0.000 -3.015) 3.069 7.245 ( -6.236 -0.000 -5.549) 8.347 7.432 ( 1.553 0.000 5.404) 5.623 8.134 ( -1.917 -0.000 10.547) 10.719 8.464 ( -3.395 -0.000 -14.514) 14.906 8.645 ( 0.649 0.000 -12.641) 12.658 8.749 ( 26.768 0.000 -19.808) 33.300 8.956 ( 11.649 0.000 0.949) 11.688 9.154 ( -6.371 -0.000 14.481) 15.821 9.421 ( 4.311 0.000 1.761) 4.657 9.451 ( 0.711 0.000 -6.128) 6.169 9.857 ( 0.310 0.000 -4.378) 4.389 10.712 ( -0.984 -0.000 -2.649) 2.826 11.133 ( 3.801 0.000 -1.225) 3.993 11.181 ( -18.414 -0.000 -5.000) 19.081 11.575 ( -8.632 -0.000 -2.637) 9.026 11.693 ( 4.343 0.000 -2.735) 5.133 11.869 ( 11.313 0.000 -6.417) 13.006 12.507 ( 6.540 0.000 2.658) 7.059 12.833 ( 6.056 0.000 -3.913) 7.210 13.050 ( -1.821 -0.000 -0.411) 1.867 13.128 ( -3.324 -0.000 12.202) 12.647 14.147 ( 1.310 0.000 9.874) 9.961 14.339 ( -9.159 -0.000 -6.113) 11.012 14.372 ( -5.279 -0.000 -12.704) 13.757 14.993 ( 6.504 0.000 22.088) 23.025 15.072 ( -0.569 -0.000 4.748) 4.782 15.870 ( 6.798 0.000 -3.899) 7.837 16.237 ( -15.860 -0.000 5.299) 16.722 16.335 ( -11.135 -0.000 12.002) 16.372 17.151 ( 8.622 0.000 -9.283) 12.669 17.599 ( -4.240 -0.000 -0.336) 4.253 20.278 ( 9.629 0.000 -17.315) 19.812 20.571 ( 4.716 0.000 1.112) 4.845 21.773 ( 2.337 0.000 -22.123) 22.246 22.312 ( 3.737 0.000 -5.952) 7.028 25.294 ( 2.931 0.000 9.396) 9.842 25.998 ( -11.279 -0.000 -16.884) 20.304 26.784 ( -9.345 -0.000 10.527) 14.076 28.376 ( 8.269 0.000 -18.082) 19.883 29.512 ( -4.567 -0.000 -1.647) 4.855 29.585 ( -8.091 -0.000 8.805) 11.958 30.012 ( 4.772 0.000 24.842) 25.296 30.361 ( 3.246 0.000 11.403) 11.856 30.547 ( -15.256 -0.000 15.940) 22.064 31.643 ( -2.548 -0.000 6.275) 6.773 32.264 ( 6.497 0.000 -12.537) 14.121 33.426 ( 12.022 0.000 -15.277) 19.440 ======================= Grid point 159 (80/186) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -5.583 8.188 15.886) 18.724 3.870 ( -4.342 -14.207 15.799) 21.687 4.319 ( -0.426 3.493 -1.831) 3.967 4.888 ( -14.682 -3.221 25.618) 29.702 4.975 ( -5.568 8.430 9.594) 13.933 5.202 ( -7.978 -3.303 18.048) 20.007 5.460 ( -19.850 9.868 36.466) 42.675 5.839 ( 0.634 4.922 18.769) 19.413 6.005 ( 9.627 6.659 10.419) 15.671 6.253 ( 6.131 -6.820 -4.151) 10.066 6.522 ( 3.459 0.952 4.506) 5.760 6.739 ( 2.439 -9.817 -3.842) 10.821 6.903 ( 0.298 4.502 -0.561) 4.547 7.133 ( -9.594 -3.467 -7.552) 12.692 7.456 ( 4.253 6.178 6.328) 9.813 8.145 ( -5.187 -1.844 7.231) 9.088 8.351 ( -3.445 -0.938 -10.664) 11.245 8.570 ( 1.772 5.985 -7.265) 9.578 9.011 ( 3.727 -4.911 -4.786) 7.804 9.110 ( 7.657 -1.335 0.187) 7.775 9.160 ( 9.430 1.386 -0.188) 9.533 9.420 ( 4.384 7.307 -5.011) 9.886 9.573 ( 12.962 -2.605 3.553) 13.690 9.850 ( -1.245 -4.417 -2.011) 5.011 10.652 ( 2.123 9.524 -1.809) 9.924 10.832 ( -11.770 7.722 0.344) 14.081 11.321 ( 3.545 -13.593 -10.649) 17.627 11.451 ( -7.947 -3.228 -2.983) 9.082 11.749 ( 1.410 -5.351 -5.805) 8.020 11.971 ( 8.139 3.910 -5.019) 10.331 12.501 ( -3.633 2.436 3.765) 5.771 12.915 ( -13.054 -6.535 5.591) 15.633 12.986 ( 8.049 4.486 -3.562) 9.879 13.181 ( 3.676 -0.774 3.729) 5.293 13.965 ( -8.004 18.753 17.308) 26.745 14.283 ( 0.235 -0.334 -11.115) 11.122 14.424 ( 7.345 -5.086 -9.550) 13.077 14.885 ( 5.213 10.606 14.192) 18.468 15.296 ( 3.368 -3.118 9.925) 10.935 15.955 ( -1.744 -3.382 -2.789) 4.718 16.204 ( -8.244 -20.854 6.005) 23.215 16.299 ( -3.212 1.473 14.384) 14.812 17.213 ( -1.256 -3.213 4.355) 5.556 17.534 ( -0.945 -1.101 -16.262) 16.326 20.169 ( 0.205 8.441 -27.003) 28.292 20.648 ( 5.442 3.424 6.951) 9.469 21.738 ( 2.271 -4.194 -23.115) 23.602 22.327 ( 2.701 0.297 -6.227) 6.794 25.350 ( -1.149 -0.465 8.609) 8.698 25.856 ( 1.638 2.192 -10.815) 11.156 26.691 ( -8.290 1.729 8.927) 12.304 28.385 ( 4.284 -0.243 -17.555) 18.072 29.438 ( -3.327 0.962 2.966) 4.560 29.602 ( -6.035 -8.841 3.386) 11.227 30.165 ( 4.610 3.041 26.686) 27.252 30.425 ( -12.388 -0.472 12.783) 17.807 30.505 ( 6.155 -3.200 16.886) 18.256 31.640 ( -3.146 -1.111 4.703) 5.766 32.217 ( 3.890 8.215 -12.334) 15.321 33.510 ( 6.543 -4.004 -18.230) 19.778 ======================= Grid point 160 (81/186) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -6.023 2.773 19.533) 20.627 3.978 ( -3.912 3.870 7.899) 9.627 4.262 ( -3.663 -2.379 -0.611) 4.410 4.806 ( -5.664 8.527 8.792) 13.494 4.835 ( -18.366 -4.251 11.423) 22.042 5.048 ( -8.311 12.898 10.345) 18.506 5.272 ( -14.456 -2.403 32.614) 35.755 5.867 ( 4.325 9.019 19.295) 21.734 5.980 ( -4.296 7.061 7.118) 10.908 6.357 ( -5.011 -5.523 6.338) 9.787 6.581 ( 2.339 6.550 -3.418) 7.749 6.761 ( 4.229 -2.775 9.134) 10.441 7.061 ( 1.150 -2.674 -4.576) 5.424 7.097 ( -1.243 -15.168 2.300) 15.392 7.431 ( 3.566 6.809 6.621) 10.145 8.120 ( -1.779 2.934 6.863) 7.674 8.296 ( -6.402 -4.592 -3.584) 8.656 8.479 ( 5.071 9.981 2.926) 11.572 8.999 ( -7.715 -1.438 7.451) 10.821 9.229 ( 5.893 -1.637 -5.710) 8.367 9.267 ( 8.426 3.551 -4.743) 10.300 9.335 ( 4.845 -0.579 -10.783) 11.835 9.789 ( -8.763 11.040 0.113) 14.095 9.816 ( 13.864 -1.458 7.634) 15.893 10.603 ( 6.816 -8.046 -4.154) 11.334 10.786 ( 3.416 -0.046 3.308) 4.756 11.279 ( 0.849 6.867 -13.820) 15.456 11.501 ( -8.472 -10.676 -12.024) 18.175 11.847 ( 3.598 -1.557 -0.717) 3.985 11.961 ( 2.108 -3.367 -10.514) 11.239 12.421 ( -4.149 5.222 1.046) 6.752 12.767 ( -10.621 1.540 2.539) 11.028 12.947 ( 0.554 12.397 3.322) 12.846 13.332 ( 8.167 -6.580 0.346) 10.494 13.604 ( -11.361 19.465 16.871) 28.153 14.272 ( 2.883 -2.984 -8.627) 9.573 14.553 ( 13.506 0.935 -10.757) 17.292 15.029 ( 4.444 -6.768 11.938) 14.425 15.337 ( 0.142 -1.669 6.009) 6.238 16.017 ( -0.209 -7.535 1.358) 7.660 16.297 ( -0.979 2.305 17.371) 17.551 16.484 ( -5.101 -18.090 7.710) 20.315 17.262 ( -10.171 -8.255 16.709) 21.231 17.481 ( 5.160 -1.852 -30.209) 30.702 19.868 ( -4.439 12.798 -25.568) 28.935 20.638 ( 1.065 6.776 3.225) 7.579 21.757 ( 3.247 -5.758 -20.916) 21.936 22.324 ( 2.672 0.778 -8.198) 8.657 25.341 ( -6.560 -0.908 6.245) 9.103 25.909 ( 17.395 2.454 -5.160) 18.309 26.609 ( -4.718 2.310 9.214) 10.606 28.341 ( -1.044 -0.226 -17.162) 17.195 29.429 ( -1.545 -1.230 6.006) 6.322 29.684 ( -4.497 -10.436 0.444) 11.372 30.256 ( 1.747 5.798 25.914) 26.612 30.347 ( -10.074 -2.605 12.240) 16.065 30.760 ( 10.424 -5.381 19.417) 22.686 31.620 ( -2.998 0.291 1.174) 3.233 32.049 ( 0.745 11.885 -8.278) 14.503 33.547 ( 0.636 -5.637 -22.531) 23.234 ======================= Grid point 161 (82/186) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( -5.227 -2.091 19.476) 20.273 3.792 ( -1.041 15.521 5.596) 16.532 4.129 ( -12.036 8.698 1.590) 14.935 4.503 ( 7.040 28.431 -6.883) 30.088 4.779 ( -15.982 -11.295 22.667) 29.947 5.046 ( -5.311 -13.999 5.332) 15.894 5.289 ( -12.678 -7.140 28.665) 32.146 5.812 ( -5.400 9.113 10.791) 15.121 5.848 ( -1.573 11.298 23.160) 25.817 6.232 ( -11.826 4.442 -4.394) 13.375 6.493 ( 0.650 5.912 1.172) 6.062 6.920 ( -0.607 -8.428 7.745) 11.463 7.150 ( 3.900 -1.954 0.218) 4.368 7.211 ( 0.349 1.010 3.792) 3.939 7.457 ( -0.059 -2.428 7.715) 8.088 8.106 ( 4.503 3.803 9.953) 11.567 8.241 ( -0.987 7.944 10.407) 13.130 8.530 ( 1.231 -9.286 3.879) 10.139 8.918 ( -8.162 -1.389 -4.245) 9.304 9.249 ( 1.382 -3.369 -7.823) 8.629 9.339 ( -11.525 -4.683 -0.298) 12.444 9.417 ( 13.789 12.203 -8.253) 20.178 9.487 ( 3.884 1.113 4.800) 6.274 10.024 ( 10.082 0.024 8.567) 13.231 10.789 ( -2.414 7.926 -3.887) 9.152 10.855 ( 6.283 -7.578 -4.446) 10.801 11.116 ( 3.426 9.556 -9.161) 13.674 11.483 ( -2.791 -10.741 -7.624) 13.464 11.850 ( 2.073 1.500 -1.834) 3.148 12.043 ( -3.048 -5.544 -9.892) 11.742 12.188 ( -1.326 13.392 -9.402) 16.416 12.565 ( -11.517 9.109 3.391) 15.070 12.832 ( 9.231 8.463 -2.764) 12.825 13.358 ( -10.915 0.447 15.245) 18.755 13.551 ( 6.806 -6.785 -1.018) 9.664 14.319 ( 0.167 -2.269 -4.587) 5.120 14.675 ( 12.340 -1.088 -10.928) 16.519 15.092 ( -8.176 -3.194 8.097) 11.942 15.538 ( 7.728 -7.808 3.695) 11.590 16.131 ( 0.540 -5.693 2.611) 6.286 16.372 ( 3.233 -1.322 18.222) 18.553 16.627 ( -8.322 -10.505 10.641) 17.112 17.229 ( -12.982 -2.865 -4.205) 13.944 17.568 ( 9.106 -9.154 -9.075) 15.782 19.493 ( -7.974 13.554 -18.763) 24.482 20.526 ( -1.180 7.730 -1.408) 7.945 21.807 ( 4.881 -4.361 -17.138) 18.345 22.311 ( 3.653 1.249 -10.675) 11.352 25.264 ( -9.260 -0.540 3.839) 10.038 26.190 ( 27.914 -0.482 -3.928) 28.193 26.594 ( 0.699 0.818 10.831) 10.884 28.213 ( -7.156 0.435 -16.704) 18.178 29.470 ( -0.940 -1.658 9.544) 9.732 29.777 ( -3.386 -8.917 -0.380) 9.546 30.260 ( -1.556 6.010 18.931) 19.923 30.339 ( -8.374 -3.945 16.429) 18.857 31.060 ( 11.222 -3.899 16.864) 20.628 31.541 ( -3.191 5.433 -2.868) 6.923 31.893 ( 2.126 6.106 -0.889) 6.526 33.485 ( -5.255 -3.695 -26.100) 26.879 ======================= Grid point 162 (83/186) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 0.172 5.154 18.106) 18.827 3.696 ( 3.432 2.216 9.309) 10.166 3.835 ( -14.618 5.216 3.091) 15.826 4.210 ( 15.160 28.491 -3.698) 32.485 4.835 ( -9.137 -7.467 15.643) 19.594 5.220 ( -3.102 -10.648 7.734) 13.521 5.399 ( -15.572 -13.952 27.248) 34.345 5.633 ( -2.829 13.720 15.266) 20.720 5.731 ( -8.343 6.401 26.396) 28.414 6.017 ( -1.640 8.569 -3.058) 9.245 6.458 ( 0.000 0.473 5.014) 5.037 6.939 ( -3.494 5.891 1.593) 7.032 7.196 ( -2.331 -0.521 -3.200) 3.993 7.231 ( 6.530 1.574 7.903) 10.372 7.477 ( -6.927 -6.112 -1.468) 9.354 8.144 ( 10.650 14.752 12.049) 21.822 8.251 ( 2.916 -1.085 14.365) 14.699 8.672 ( -10.026 -11.650 5.951) 16.482 8.804 ( -9.598 -2.092 -7.767) 12.523 9.064 ( -8.227 6.474 4.427) 11.366 9.354 ( 4.194 -10.064 -4.553) 11.816 9.604 ( 11.335 -1.780 -12.701) 17.116 9.639 ( 4.296 -10.917 4.661) 12.624 10.142 ( 7.836 2.964 4.218) 9.380 10.404 ( -11.835 20.785 -6.263) 24.725 10.839 ( 6.215 13.435 -5.548) 15.808 11.134 ( 3.325 -3.258 1.317) 4.837 11.656 ( 2.893 -3.062 -6.991) 8.162 11.783 ( -0.219 8.166 3.507) 8.890 11.898 ( -7.856 -10.584 -10.430) 16.808 12.114 ( 6.306 7.109 -11.244) 14.721 12.440 ( 2.267 -4.351 -5.311) 7.230 12.844 ( 8.839 4.729 -2.712) 10.385 13.320 ( -11.319 -6.991 4.181) 13.946 13.702 ( 5.208 -0.579 6.331) 8.219 14.299 ( -4.911 -1.572 0.182) 5.159 14.807 ( 8.178 -4.102 -12.831) 15.759 15.062 ( -9.928 -4.883 7.164) 13.180 15.618 ( -3.131 0.891 -3.071) 4.475 16.200 ( -0.172 -2.365 2.279) 3.289 16.525 ( 4.017 -1.712 6.943) 8.202 16.667 ( -12.936 -4.057 8.260) 15.875 17.143 ( -2.340 -6.459 9.511) 11.732 17.772 ( 6.713 -4.301 -9.698) 12.554 19.174 ( -5.068 7.458 -4.037) 9.879 20.411 ( 1.222 4.682 -6.559) 8.151 21.863 ( 6.363 -1.831 -13.383) 14.931 22.295 ( 4.751 1.813 -12.699) 13.679 25.166 ( -7.718 -0.229 3.114) 8.326 26.491 ( 11.763 -1.466 1.549) 11.955 26.760 ( 18.191 -3.325 -0.239) 18.494 28.023 ( -9.307 -0.084 -13.859) 16.694 29.526 ( -0.853 -1.161 13.470) 13.547 29.834 ( -4.394 -5.294 0.756) 6.921 30.189 ( -6.203 7.507 18.096) 20.550 30.368 ( -5.798 -4.479 11.030) 13.241 31.231 ( 2.773 4.442 4.212) 6.721 31.423 ( -1.265 -0.581 5.622) 5.792 31.934 ( 7.840 1.409 3.065) 8.535 33.311 ( -5.857 0.758 -26.136) 26.795 ======================= Grid point 167 (84/186) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -6.386 -0.000 6.805) 9.333 3.692 ( -9.093 -0.000 27.218) 28.697 4.311 ( -3.574 -0.000 -2.506) 4.365 4.699 ( -26.243 -0.000 28.054) 38.415 5.029 ( -5.216 -0.000 6.554) 8.376 5.067 ( -8.470 -0.000 6.177) 10.483 5.456 ( -16.762 -0.000 39.482) 42.893 5.929 ( -4.264 -0.000 20.628) 21.065 6.173 ( 1.328 0.000 -5.142) 5.311 6.289 ( 2.651 0.000 15.487) 15.712 6.677 ( 10.350 0.000 1.253) 10.426 6.727 ( 13.779 0.000 6.091) 15.065 6.828 ( -17.665 -0.000 -10.604) 20.603 7.003 ( 2.106 0.000 -0.792) 2.250 7.582 ( 2.289 0.000 7.778) 8.108 8.097 ( -4.450 -0.000 7.440) 8.669 8.227 ( -3.904 -0.000 -13.959) 14.494 8.660 ( 10.183 0.000 -10.118) 14.355 8.942 ( -7.118 -0.000 8.514) 11.098 9.169 ( 4.881 0.000 -9.439) 10.626 9.317 ( 17.890 0.000 -17.286) 24.876 9.443 ( -7.120 -0.000 -1.684) 7.316 9.798 ( -1.177 -0.000 -2.805) 3.042 9.854 ( 23.273 0.000 10.036) 25.344 10.775 ( 3.833 0.000 3.716) 5.339 10.868 ( 1.887 0.000 -0.010) 1.887 11.148 ( -8.569 -0.000 5.501) 10.183 11.276 ( -4.574 -0.000 -10.689) 11.626 11.699 ( 4.182 0.000 -11.869) 12.584 11.992 ( -5.758 -0.000 -14.381) 15.491 12.415 ( -12.820 -0.000 8.785) 15.542 12.772 ( -4.375 -0.000 6.122) 7.524 13.132 ( 10.477 0.000 0.579) 10.493 13.257 ( 3.627 0.000 4.526) 5.800 14.176 ( -2.581 -0.000 18.447) 18.627 14.271 ( 2.581 0.000 -10.926) 11.227 14.393 ( 8.367 0.000 -2.402) 8.705 15.078 ( -0.109 -0.000 -2.070) 2.072 15.349 ( -1.638 -0.000 18.090) 18.164 15.833 ( -7.361 -0.000 10.130) 12.522 16.037 ( 6.749 0.000 -3.307) 7.515 16.365 ( 1.708 0.000 13.962) 14.066 17.134 ( -12.666 -0.000 14.778) 19.463 17.449 ( 4.286 0.000 -29.104) 29.418 20.092 ( -3.772 -0.000 -25.543) 25.820 20.749 ( 1.988 0.000 3.196) 3.764 21.636 ( 3.570 0.000 -26.579) 26.818 22.333 ( 1.550 0.000 -5.154) 5.382 25.324 ( -6.699 -0.000 6.329) 9.216 25.955 ( 16.298 0.000 -7.460) 17.924 26.641 ( -6.375 -0.000 8.726) 10.807 28.339 ( 0.251 0.000 -17.671) 17.673 29.447 ( 1.060 0.000 -0.209) 1.080 29.472 ( -5.516 -0.000 7.120) 9.006 30.309 ( -8.670 -0.000 14.304) 16.726 30.406 ( 4.699 0.000 28.089) 28.479 30.626 ( 5.734 0.000 18.626) 19.488 31.613 ( -3.111 -0.000 4.707) 5.642 32.258 ( 1.718 0.000 -14.937) 15.035 33.441 ( -0.308 -0.000 -19.403) 19.406 ======================= Grid point 168 (85/186) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -13.289 4.364 12.442) 18.721 3.851 ( -7.099 -14.944 16.558) 23.407 4.215 ( -4.142 2.553 0.832) 4.936 4.455 ( -31.662 -3.187 20.476) 37.841 4.852 ( -4.487 8.571 2.518) 9.997 5.097 ( -5.655 -5.665 5.888) 9.937 5.346 ( -10.420 11.176 34.909) 38.107 5.963 ( -9.843 -3.621 26.007) 28.043 6.071 ( -4.200 8.504 8.926) 13.025 6.343 ( -0.937 3.146 1.502) 3.609 6.495 ( -14.823 -2.275 -10.257) 18.168 6.834 ( 0.681 -2.260 -2.385) 3.355 7.000 ( 10.180 -2.167 13.103) 16.733 7.095 ( 12.527 -2.736 5.536) 13.966 7.586 ( 0.803 5.116 5.577) 7.610 8.083 ( -2.737 -1.388 6.467) 7.158 8.157 ( -2.762 -2.343 -7.586) 8.406 8.727 ( 7.454 3.443 -6.026) 10.185 8.926 ( -3.811 -2.733 9.644) 10.723 9.134 ( -7.741 -0.296 -5.203) 9.331 9.314 ( 0.580 2.855 -9.619) 10.051 9.438 ( 13.545 5.614 -15.696) 21.480 9.814 ( 3.032 -2.580 -0.866) 4.074 10.195 ( 22.719 4.039 10.405) 25.313 10.680 ( -0.559 14.180 4.608) 14.920 10.843 ( 3.208 -0.470 2.762) 4.259 11.185 ( -9.435 -8.702 -8.679) 15.495 11.274 ( 3.014 -5.775 -8.655) 10.833 11.772 ( 1.552 -5.866 -13.439) 14.745 11.801 ( -7.234 -5.350 -14.911) 17.415 12.336 ( -11.572 -6.799 9.797) 16.617 12.714 ( -2.138 8.563 7.044) 11.293 13.176 ( -0.421 10.942 2.825) 11.308 13.373 ( 10.161 -5.112 4.833) 12.359 13.870 ( -12.986 23.219 7.972) 27.772 14.301 ( 8.116 1.801 -8.487) 11.881 14.656 ( 10.237 -9.601 -4.285) 14.675 14.999 ( -4.220 3.208 4.989) 7.279 15.379 ( 4.418 -0.333 10.269) 11.185 15.949 ( 2.304 -6.760 11.117) 13.213 16.195 ( -2.170 -12.682 7.266) 14.776 16.464 ( 6.533 1.635 13.450) 15.042 17.043 ( -13.908 -6.005 9.812) 18.049 17.405 ( 5.076 -1.974 -25.839) 26.407 19.867 ( -4.966 9.114 -21.714) 24.067 20.718 ( -2.307 4.326 -1.043) 5.013 21.626 ( 5.253 -5.753 -25.814) 26.964 22.328 ( 1.440 0.163 -5.974) 6.147 25.238 ( -9.782 -0.723 3.954) 10.576 26.210 ( 26.808 0.990 -6.234) 27.541 26.603 ( -4.619 -0.061 9.127) 10.229 28.238 ( -3.874 0.776 -17.274) 17.720 29.429 ( -1.976 -0.119 6.394) 6.693 29.541 ( 1.898 -6.111 1.346) 6.539 30.254 ( -7.466 -1.080 11.248) 13.543 30.520 ( 3.614 9.782 29.568) 31.354 30.869 ( 7.926 -8.579 22.222) 25.105 31.592 ( -2.749 -0.269 3.062) 4.124 32.143 ( -1.237 7.356 -13.110) 15.084 33.342 ( -6.061 -4.213 -22.602) 23.777 ======================= Grid point 169 (86/186) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -17.758 -6.894 5.371) 19.792 3.895 ( -3.147 5.647 5.288) 8.352 4.083 ( -34.183 2.618 15.837) 37.764 4.335 ( 0.499 -18.504 10.303) 21.185 4.737 ( -3.308 1.370 0.715) 3.651 5.137 ( -5.589 -6.376 10.351) 13.381 5.179 ( -1.840 17.888 29.143) 34.245 5.868 ( -24.474 1.035 20.860) 32.174 5.936 ( -4.737 8.768 15.193) 18.170 6.240 ( 0.600 1.492 0.504) 1.686 6.499 ( -2.242 -6.803 2.274) 7.515 6.788 ( -3.579 1.254 -0.905) 3.899 7.135 ( 3.520 -3.239 -1.326) 4.964 7.323 ( 6.841 2.286 16.067) 17.611 7.504 ( -2.673 6.832 0.868) 7.387 8.116 ( -0.044 -1.995 11.378) 11.552 8.228 ( 2.805 -10.002 0.103) 10.389 8.701 ( -5.687 -2.378 -6.614) 9.041 8.864 ( 4.201 18.932 10.117) 21.873 9.095 ( -7.706 -11.193 5.286) 14.581 9.277 ( 7.859 3.426 -12.414) 15.087 9.473 ( 4.817 -2.270 -12.050) 13.174 9.776 ( 4.552 16.887 -0.210) 17.490 10.326 ( 11.787 9.275 10.800) 18.482 10.761 ( 9.055 -6.374 -6.040) 12.614 10.850 ( -2.026 -0.322 -0.438) 2.097 11.095 ( -10.559 -6.537 -6.310) 13.930 11.366 ( 10.198 -0.591 -9.632) 14.040 11.637 ( -10.462 -8.124 -21.639) 25.372 11.983 ( 7.635 -7.200 -3.283) 10.996 12.338 ( -6.479 -0.874 5.790) 8.733 12.499 ( -11.414 13.406 8.216) 19.430 12.906 ( -8.846 8.207 -3.042) 12.445 13.473 ( -6.283 13.696 4.597) 15.754 13.633 ( 14.765 -2.770 4.137) 15.581 14.332 ( 5.650 2.740 -7.635) 9.885 14.814 ( 12.415 3.603 -10.249) 16.497 14.911 ( -13.551 -4.990 9.892) 17.504 15.566 ( 4.907 -2.767 9.729) 11.243 16.112 ( 5.634 -4.554 2.799) 7.766 16.346 ( -5.991 -9.976 14.297) 18.434 16.603 ( 8.265 0.745 16.204) 18.205 16.995 ( -9.463 -5.224 -6.136) 12.429 17.497 ( 7.791 -10.837 -7.570) 15.344 19.534 ( -5.987 14.628 -15.681) 22.264 20.580 ( -4.150 5.954 -4.320) 8.446 21.712 ( 6.862 -7.950 -21.889) 24.277 22.319 ( 2.006 0.149 -7.896) 8.148 25.139 ( -8.926 -1.294 2.648) 9.400 26.492 ( 12.335 1.472 -0.735) 12.445 26.661 ( 12.773 -3.448 0.946) 13.264 28.071 ( -6.578 2.537 -15.244) 16.796 29.453 ( -2.666 -2.840 8.281) 9.151 29.680 ( 4.563 -5.227 1.909) 7.196 30.248 ( -4.275 -2.748 9.947) 11.170 30.487 ( -1.778 12.631 28.131) 30.888 31.186 ( 6.734 -5.887 19.789) 21.716 31.564 ( -1.513 2.962 -0.916) 3.450 31.970 ( -0.763 4.522 -4.989) 6.776 33.216 ( -8.340 -5.960 -25.603) 27.579 ======================= Grid point 170 (87/186) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -20.244 -16.070 -5.843) 26.500 3.754 ( -22.787 -3.309 20.676) 30.947 3.784 ( 0.094 6.575 3.491) 7.445 4.584 ( 6.530 3.497 1.286) 7.518 4.811 ( -1.281 -18.626 4.738) 19.261 5.035 ( -4.976 11.091 29.439) 31.851 5.255 ( 0.908 -6.037 14.630) 15.853 5.592 ( -24.867 -0.121 18.649) 31.083 5.820 ( -4.805 8.353 21.904) 23.930 6.244 ( 6.039 7.147 3.612) 10.030 6.530 ( 0.293 4.446 5.848) 7.352 6.773 ( -9.273 -10.134 -0.564) 13.748 7.180 ( 1.715 0.893 -2.879) 3.468 7.284 ( -10.378 0.302 0.028) 10.382 7.436 ( 5.356 5.193 9.706) 12.242 8.219 ( -3.391 -4.963 10.074) 11.731 8.415 ( 3.105 -4.152 3.576) 6.298 8.605 ( -9.127 -1.354 -2.725) 9.621 8.740 ( 9.306 15.025 12.205) 21.478 9.078 ( -5.790 4.061 5.434) 8.919 9.355 ( 10.415 -0.416 -8.296) 13.322 9.508 ( -5.335 -9.047 3.774) 11.160 9.650 ( 8.374 4.748 -17.138) 19.657 10.361 ( 1.132 6.811 5.609) 8.895 10.567 ( -0.264 17.736 -4.035) 18.191 11.014 ( 4.860 -2.266 -0.078) 5.363 11.082 ( -2.848 -3.523 -2.105) 4.995 11.497 ( 3.335 -6.290 -10.333) 12.548 11.568 ( -4.391 -9.812 -13.912) 17.582 12.017 ( -2.009 10.472 1.491) 10.767 12.245 ( 3.750 1.637 -0.764) 4.162 12.314 ( -3.707 -6.204 -7.297) 10.270 12.799 ( -5.111 -3.676 -5.583) 8.414 13.299 ( -3.806 5.871 9.040) 11.432 13.859 ( 13.918 1.638 4.473) 14.710 14.294 ( 2.349 5.430 -5.939) 8.383 14.776 ( -7.085 -1.581 -1.695) 7.454 14.942 ( 3.717 -0.729 -1.608) 4.115 15.570 ( -6.385 1.887 2.285) 7.039 16.221 ( 3.734 -0.259 1.283) 3.957 16.465 ( -5.780 -7.411 15.563) 18.181 16.659 ( 0.193 7.908 -1.977) 8.154 17.056 ( 3.549 -11.827 12.411) 17.507 17.773 ( 11.488 -7.129 -6.930) 15.194 19.225 ( -3.299 9.372 -3.099) 10.408 20.434 ( -2.484 3.711 -7.540) 8.763 21.832 ( 7.434 -6.256 -17.245) 19.794 22.308 ( 2.369 0.157 -10.203) 10.476 25.079 ( -4.628 -1.699 3.103) 5.825 26.544 ( -1.850 -1.900 6.553) 7.069 26.887 ( 9.353 -2.203 -16.237) 18.867 27.932 ( 2.450 1.979 -8.432) 9.001 29.505 ( -3.399 -4.404 10.105) 11.535 29.801 ( 3.990 -0.743 5.260) 6.644 30.297 ( -2.342 -3.648 8.998) 9.988 30.350 ( -5.895 13.448 23.574) 27.773 31.324 ( -1.168 3.488 5.185) 6.358 31.415 ( -4.693 3.149 2.349) 6.120 32.020 ( 3.557 -2.661 3.287) 5.526 33.128 ( 0.577 -6.125 -24.377) 25.141 ======================= Grid point 176 (88/186) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -26.296 -0.000 5.618) 26.889 3.640 ( -18.104 -0.000 26.440) 32.044 4.119 ( -23.911 -0.000 14.606) 28.020 4.220 ( -2.373 -0.000 0.720) 2.480 4.926 ( -3.092 -0.000 0.236) 3.101 5.003 ( -0.192 -0.000 8.023) 8.025 5.382 ( -16.759 -0.000 40.539) 43.866 5.868 ( -22.480 -0.000 25.499) 33.993 6.103 ( -15.633 -0.000 -10.785) 18.993 6.122 ( -2.674 -0.000 0.772) 2.783 6.410 ( -4.041 -0.000 20.960) 21.346 6.863 ( 5.992 0.000 -3.541) 6.961 7.085 ( 3.376 0.000 1.627) 3.748 7.417 ( 22.360 0.000 15.095) 26.978 7.616 ( -3.830 -0.000 4.169) 5.661 8.092 ( 0.894 0.000 -10.267) 10.306 8.111 ( 2.439 0.000 9.462) 9.772 8.650 ( -11.303 -0.000 -13.668) 17.737 8.825 ( -8.007 -0.000 11.516) 14.026 9.218 ( 6.857 0.000 4.034) 7.955 9.298 ( 8.199 0.000 -18.721) 20.437 9.684 ( 19.415 0.000 -13.329) 23.550 9.755 ( -2.533 -0.000 -3.028) 3.948 10.484 ( 12.908 0.000 2.752) 13.198 10.848 ( -2.710 -0.000 -3.168) 4.169 10.916 ( -4.877 -0.000 8.320) 9.644 11.018 ( 2.141 0.000 1.601) 2.673 11.127 ( -1.974 -0.000 -9.286) 9.494 11.498 ( -7.376 -0.000 -23.745) 24.864 11.818 ( 10.140 0.000 -3.041) 10.586 12.175 ( -8.783 -0.000 8.345) 12.115 12.813 ( -0.164 -0.000 4.157) 4.160 13.153 ( -18.657 -0.000 2.704) 18.852 13.547 ( 16.676 0.000 7.908) 18.456 13.804 ( -22.301 -0.000 -3.806) 22.624 14.449 ( 10.193 0.000 -8.081) 13.008 14.589 ( 1.766 0.000 10.558) 10.705 15.054 ( 4.353 0.000 -13.501) 14.185 15.556 ( 12.038 0.000 20.512) 23.783 16.009 ( 3.360 0.000 25.678) 25.897 16.087 ( -2.784 -0.000 -0.603) 2.849 16.665 ( 12.855 0.000 14.291) 19.222 16.849 ( -10.108 -0.000 0.624) 10.127 17.338 ( 1.605 0.000 -18.675) 18.744 19.803 ( -3.842 -0.000 -15.915) 16.372 20.687 ( -5.587 -0.000 -4.327) 7.067 21.543 ( 6.885 0.000 -27.699) 28.542 22.319 ( 1.012 0.000 -6.084) 6.168 25.115 ( -9.344 -0.000 2.720) 9.732 26.563 ( 29.034 0.000 -10.675) 30.934 26.563 ( -6.450 -0.000 9.016) 11.085 28.119 ( -4.418 -0.000 -15.556) 16.171 29.408 ( -3.619 -0.000 6.187) 7.168 29.585 ( 8.378 0.000 2.531) 8.752 30.211 ( -4.559 -0.000 10.140) 11.118 30.874 ( 8.620 0.000 36.849) 37.844 30.905 ( 2.223 0.000 19.567) 19.693 31.565 ( -2.890 -0.000 3.628) 4.638 32.111 ( -3.178 -0.000 -14.633) 14.974 33.089 ( -11.832 -0.000 -24.128) 26.873 ======================= Grid point 177 (89/186) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -31.362 -3.426 4.987) 31.941 3.510 ( -38.193 -12.711 23.738) 46.731 3.927 ( -9.442 -0.397 7.364) 11.980 4.198 ( -6.001 -5.027 4.099) 8.837 4.840 ( 1.503 8.773 3.444) 9.544 5.037 ( -3.789 -1.359 13.138) 13.741 5.351 ( -16.439 -2.880 26.735) 31.517 5.600 ( -20.122 -1.971 18.482) 27.392 6.044 ( -4.132 1.322 14.494) 15.129 6.085 ( -4.290 -3.464 8.148) 9.839 6.439 ( -5.837 -1.350 13.913) 15.148 6.876 ( 4.149 5.658 -2.581) 7.476 7.149 ( 3.595 -1.618 0.412) 3.964 7.517 ( -7.809 2.330 3.671) 8.938 7.623 ( 10.654 15.922 6.702) 20.296 8.153 ( 5.579 -9.294 0.607) 10.858 8.212 ( 8.034 1.571 7.353) 11.003 8.486 ( -7.895 -4.592 -11.036) 14.326 8.855 ( -6.899 -10.754 8.078) 15.116 9.136 ( -4.046 6.266 3.333) 8.170 9.456 ( 19.652 4.430 -11.080) 22.992 9.534 ( -2.505 11.587 -7.105) 13.821 9.956 ( 10.300 -2.342 -8.240) 13.396 10.520 ( -6.638 9.363 -15.052) 18.929 10.678 ( -3.027 -7.091 2.331) 8.055 10.852 ( -2.605 0.881 -1.480) 3.123 11.027 ( 9.487 6.152 3.015) 11.702 11.280 ( -1.242 -12.523 -12.349) 17.631 11.440 ( 5.789 -5.023 -9.960) 12.568 11.994 ( 9.338 -4.896 -0.776) 10.573 12.166 ( -5.374 -5.409 7.001) 10.352 12.604 ( -25.198 18.545 2.817) 31.413 12.832 ( -9.651 1.581 -1.726) 9.931 13.493 ( -11.544 5.635 0.002) 12.845 13.830 ( 16.791 -2.747 2.900) 17.260 14.465 ( 7.101 5.918 -3.062) 9.738 14.724 ( -6.429 -6.772 8.886) 12.890 15.014 ( 11.483 6.779 -12.727) 18.434 15.699 ( 1.200 8.423 16.518) 18.581 16.121 ( 2.154 -8.643 0.526) 8.923 16.231 ( 2.876 -5.699 20.982) 21.931 16.783 ( -2.114 -5.214 -1.177) 5.748 16.891 ( 12.684 7.188 8.735) 16.996 17.393 ( 6.650 -13.444 -3.944) 15.509 19.612 ( -3.774 11.429 -11.028) 16.324 20.550 ( -7.379 3.071 -5.261) 9.569 21.591 ( 8.196 -7.594 -25.168) 27.537 22.304 ( 0.933 -0.190 -8.032) 8.088 25.032 ( -5.683 -1.096 2.960) 6.501 26.508 ( -7.292 -0.601 8.492) 11.209 26.833 ( 16.111 -1.142 -19.883) 25.616 28.019 ( 2.482 2.625 -9.506) 10.170 29.404 ( -3.160 -1.944 6.632) 7.599 29.743 ( 10.128 -2.167 3.688) 10.994 30.220 ( -1.573 -1.251 9.077) 9.297 30.816 ( -0.447 16.886 27.189) 32.009 31.246 ( 3.483 -6.088 24.437) 25.424 31.570 ( -0.577 -1.344 3.101) 3.428 31.962 ( -3.914 2.989 -9.483) 10.685 32.875 ( -10.969 -8.414 -25.214) 28.755 ======================= Grid point 178 (90/186) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -29.744 -14.667 -1.641) 33.205 3.272 ( -33.940 -16.439 18.825) 42.149 3.852 ( -8.115 2.553 6.572) 10.750 4.357 ( -12.258 -29.252 12.290) 34.015 4.756 ( 1.500 7.003 3.800) 8.107 5.099 ( -5.160 -3.721 21.833) 22.740 5.237 ( -17.054 -2.495 22.255) 28.149 5.570 ( 5.301 6.344 14.122) 16.363 5.964 ( -7.505 8.377 24.771) 27.205 6.241 ( -3.809 -14.686 11.090) 18.793 6.400 ( -6.961 -0.789 3.792) 7.966 6.823 ( 4.385 7.954 1.412) 9.192 7.208 ( 3.183 -0.429 -2.031) 3.800 7.266 ( -7.432 14.535 -3.949) 16.795 7.561 ( -1.834 2.347 11.102) 11.494 8.242 ( 3.939 6.798 -3.853) 8.751 8.392 ( 2.913 -7.709 3.955) 9.141 8.486 ( -0.598 -2.883 0.954) 3.095 8.953 ( 1.177 -4.362 -0.794) 4.588 9.096 ( -1.268 -1.541 13.097) 13.248 9.294 ( -9.332 1.509 -1.773) 9.618 9.595 ( 16.913 6.903 -6.379) 19.350 9.817 ( 0.355 18.559 -18.692) 26.343 10.363 ( -3.365 -2.242 -6.271) 7.462 10.719 ( -3.395 1.202 4.835) 6.029 10.819 ( -8.774 -8.605 -6.280) 13.801 11.126 ( 10.219 0.369 -0.530) 10.240 11.365 ( 4.899 -6.819 -14.028) 16.349 11.586 ( 7.346 3.020 0.803) 7.983 11.953 ( -21.763 4.578 -10.129) 24.438 12.193 ( -1.430 -6.886 3.295) 7.767 12.202 ( -0.121 -2.243 -0.202) 2.256 12.748 ( -1.403 2.443 -2.297) 3.635 13.322 ( -7.000 3.258 7.885) 11.036 14.076 ( 15.877 -0.992 -3.760) 16.346 14.454 ( 5.498 6.462 -0.574) 8.503 14.656 ( -7.053 2.575 2.954) 8.068 15.070 ( 10.352 4.971 -7.609) 13.776 15.571 ( -4.276 7.804 5.984) 10.723 16.279 ( 5.449 -0.949 -1.701) 5.786 16.390 ( -1.551 -6.101 22.536) 23.399 16.731 ( -2.823 5.488 -7.406) 9.640 17.045 ( 6.788 -6.384 15.727) 18.281 17.812 ( 18.844 -12.147 -1.311) 22.458 19.333 ( -2.995 12.422 -2.321) 12.987 20.394 ( -5.894 2.309 -5.086) 8.120 21.738 ( 8.245 -9.505 -20.262) 23.851 22.282 ( 0.920 -0.548 -10.994) 11.046 25.034 ( -0.042 -2.301 4.648) 5.186 26.466 ( -7.906 -2.775 6.593) 10.662 26.770 ( -11.142 0.523 -25.983) 28.276 28.083 ( 17.061 3.081 -3.828) 17.754 29.433 ( -3.404 -3.586 7.695) 9.147 29.918 ( 9.544 -0.205 6.691) 11.658 30.277 ( 0.557 -2.141 7.755) 8.064 30.616 ( -6.145 19.181 25.456) 32.461 31.337 ( -3.604 -0.501 10.639) 11.244 31.420 ( -9.588 9.789 -3.257) 14.084 31.968 ( -3.523 -5.035 -0.847) 6.204 32.948 ( 10.515 -16.505 -18.489) 26.923 ======================= Grid point 185 (91/186) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -37.124 -0.000 13.493) 39.500 3.000 ( -40.847 -0.000 24.204) 47.480 3.639 ( -31.255 -0.000 9.242) 32.593 4.089 ( -8.800 -0.000 2.404) 9.123 4.892 ( -3.081 -0.000 -0.600) 3.139 5.081 ( -16.721 -0.000 26.248) 31.122 5.202 ( 8.434 0.000 9.720) 12.869 5.480 ( -10.122 -0.000 28.658) 30.393 6.035 ( -7.699 -0.000 24.725) 25.896 6.133 ( 2.851 0.000 3.532) 4.539 6.392 ( -10.534 -0.000 20.696) 23.222 6.957 ( 3.209 0.000 -3.769) 4.950 7.186 ( 3.420 0.000 1.119) 3.598 7.435 ( -8.865 -0.000 7.272) 11.466 7.921 ( -11.181 -0.000 -13.366) 17.426 8.108 ( 19.343 0.000 6.811) 20.507 8.369 ( 9.190 0.000 4.818) 10.376 8.389 ( 5.377 0.000 -9.653) 11.049 8.725 ( -5.567 -0.000 13.763) 14.847 9.081 ( -6.359 -0.000 -5.010) 8.095 9.477 ( -14.872 -0.000 -3.882) 15.370 9.737 ( 19.249 0.000 -7.962) 20.831 10.065 ( 15.148 0.000 -9.393) 17.824 10.346 ( -9.163 -0.000 -17.963) 20.165 10.608 ( -2.576 -0.000 -16.140) 16.344 10.853 ( -8.594 -0.000 0.912) 8.642 11.008 ( 0.936 0.000 -7.626) 7.683 11.371 ( 1.720 0.000 -8.935) 9.099 11.377 ( 13.819 0.000 10.993) 17.658 12.085 ( 8.428 0.000 0.731) 8.460 12.143 ( 1.356 0.000 4.098) 4.316 12.271 ( -36.968 -0.000 -4.715) 37.267 12.771 ( -4.114 -0.000 1.306) 4.317 13.386 ( -9.537 -0.000 3.467) 10.148 14.028 ( 14.450 0.000 1.511) 14.529 14.592 ( -7.874 -0.000 11.373) 13.833 14.646 ( 9.540 0.000 -6.068) 11.306 15.166 ( 12.598 0.000 -11.526) 17.075 15.930 ( -4.453 -0.000 -6.238) 7.664 15.976 ( 4.571 0.000 23.744) 24.180 16.393 ( 8.661 0.000 22.122) 23.757 16.692 ( -1.266 -0.000 -3.551) 3.770 17.206 ( -4.429 -0.000 -4.354) 6.211 17.382 ( 30.276 0.000 16.608) 34.532 19.626 ( -2.768 -0.000 -7.634) 8.121 20.440 ( -9.051 -0.000 -2.876) 9.497 21.537 ( 9.183 0.000 -24.830) 26.474 22.272 ( 0.387 0.000 -10.599) 10.606 24.994 ( -0.955 -0.000 4.555) 4.654 26.421 ( -9.782 -0.000 8.858) 13.197 26.780 ( -7.148 -0.000 -31.459) 32.261 28.153 ( 17.565 0.000 -3.170) 17.849 29.379 ( -2.757 -0.000 6.475) 7.038 29.892 ( 11.941 0.000 3.638) 12.483 30.246 ( 1.358 0.000 7.961) 8.076 31.017 ( -5.499 -0.000 14.388) 15.402 31.412 ( 4.125 0.000 31.843) 32.109 31.545 ( -0.853 -0.000 4.677) 4.754 31.876 ( -5.252 -0.000 -11.757) 12.877 32.537 ( -8.888 -0.000 -18.887) 20.874 ======================= Grid point 186 (92/186) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -33.690 -5.186 15.089) 37.277 2.621 ( -41.039 -15.577 18.689) 47.709 3.474 ( -30.846 -25.254 28.742) 49.146 3.984 ( -9.964 -2.604 5.326) 11.594 4.778 ( -9.262 2.947 1.251) 9.800 5.093 ( -2.682 -2.634 20.520) 20.862 5.266 ( 2.179 7.054 18.064) 19.515 5.638 ( 1.269 -10.461 20.850) 23.361 6.009 ( -13.972 0.570 26.859) 30.281 6.178 ( 3.974 1.733 9.007) 9.996 6.332 ( -9.243 -0.354 12.107) 15.236 6.950 ( 3.176 3.248 -4.306) 6.260 7.240 ( 3.262 -0.268 0.996) 3.421 7.345 ( -6.065 5.979 6.597) 10.773 7.588 ( -11.213 7.245 -6.519) 14.857 8.350 ( 3.716 -0.941 -2.496) 4.574 8.371 ( 6.128 4.758 -6.013) 9.816 8.555 ( 9.467 0.125 -1.635) 9.608 8.821 ( 1.189 -10.046 9.472) 13.858 9.013 ( -3.574 -4.576 -0.355) 5.817 9.269 ( -6.979 2.680 -0.310) 7.482 9.857 ( 10.084 6.886 -10.612) 16.178 10.007 ( -4.476 18.585 -18.114) 26.335 10.229 ( 4.870 -6.998 -11.351) 14.197 10.587 ( -3.507 -6.452 -4.911) 8.834 10.682 ( -8.173 1.455 5.097) 9.741 11.096 ( 2.891 -10.377 -14.846) 18.342 11.405 ( 2.172 -0.874 -6.346) 6.764 11.527 ( -9.078 -5.940 -2.537) 11.141 11.755 ( -16.206 8.117 9.037) 20.254 12.199 ( 3.291 -0.771 -1.657) 3.765 12.203 ( 9.724 2.309 0.590) 10.011 12.731 ( -2.767 -0.793 -0.981) 3.041 13.315 ( -3.569 1.104 11.055) 11.669 14.183 ( 4.955 -2.376 -4.099) 6.856 14.532 ( 0.280 2.449 4.637) 5.252 14.728 ( 7.818 2.868 -4.359) 9.399 15.251 ( 8.778 6.210 -6.106) 12.366 15.739 ( 3.176 11.691 -3.696) 12.665 16.250 ( 6.922 -12.213 -0.224) 14.040 16.527 ( 4.411 7.444 28.739) 30.014 16.726 ( -0.034 0.122 3.645) 3.648 17.106 ( -1.334 -0.343 7.404) 7.531 17.935 ( 24.047 -9.987 3.865) 26.324 19.465 ( -3.148 11.131 -2.507) 11.836 20.322 ( -6.248 1.077 1.454) 6.504 21.630 ( 9.166 -8.238 -20.746) 24.130 22.229 ( 0.679 -0.631 -14.366) 14.395 25.052 ( 3.827 -2.154 6.777) 8.076 26.330 ( -12.351 -0.199 0.672) 12.371 26.426 ( -22.216 -1.144 -22.722) 31.798 28.386 ( 21.319 4.036 -2.749) 21.872 29.384 ( -2.834 -1.742 7.064) 7.808 30.075 ( 11.288 -1.064 4.621) 12.244 30.317 ( 3.878 -0.507 6.525) 7.607 30.873 ( -9.671 13.492 14.213) 21.854 31.359 ( -15.060 7.191 1.069) 16.723 31.411 ( -4.236 11.558 8.824) 15.146 31.806 ( -5.844 -3.996 -7.758) 10.503 32.777 ( 19.137 -25.913 -3.232) 32.375 ======================= Grid point 194 (93/186) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -23.123 -0.000 34.334) 41.395 1.929 ( -46.263 -0.000 22.382) 51.393 3.049 ( -23.279 -0.000 53.410) 58.262 3.881 ( -7.267 -0.000 3.833) 8.216 4.658 ( -12.194 -0.000 -1.967) 12.352 5.117 ( -3.146 -0.000 19.010) 19.269 5.480 ( 4.812 0.000 8.762) 9.996 5.637 ( 2.217 0.000 26.534) 26.627 5.902 ( -21.308 -0.000 33.733) 39.899 6.248 ( -11.199 -0.000 16.974) 20.335 6.297 ( 5.409 0.000 2.862) 6.120 6.968 ( 1.303 0.000 -8.980) 9.074 7.272 ( -7.763 -0.000 -8.528) 11.532 7.353 ( -9.177 -0.000 -5.785) 10.848 7.403 ( 0.785 0.000 13.430) 13.453 8.348 ( -3.731 -0.000 -4.442) 5.801 8.571 ( 9.902 0.000 -6.069) 11.614 8.638 ( 15.863 0.000 -8.446) 17.971 8.879 ( -2.908 -0.000 -5.050) 5.828 8.902 ( 4.992 0.000 11.884) 12.890 9.183 ( -4.071 -0.000 -0.393) 4.090 9.857 ( -11.558 -0.000 -19.000) 22.240 10.030 ( 5.259 0.000 -6.741) 8.550 10.300 ( 8.500 0.000 -9.859) 13.017 10.497 ( 2.114 0.000 -7.597) 7.886 10.546 ( -15.708 -0.000 4.422) 16.319 10.930 ( -2.414 -0.000 -8.757) 9.084 11.295 ( -19.977 -0.000 -1.563) 20.038 11.344 ( 3.746 0.000 -9.927) 10.611 11.789 ( -0.294 -0.000 14.042) 14.045 12.223 ( 3.087 0.000 -3.865) 4.946 12.415 ( 14.104 0.000 0.719) 14.123 12.674 ( -2.745 -0.000 -0.681) 2.828 13.375 ( 3.398 0.000 14.240) 14.640 14.108 ( -9.299 -0.000 -3.429) 9.911 14.631 ( 10.137 0.000 -0.534) 10.151 14.847 ( 8.251 0.000 -2.777) 8.706 15.412 ( 7.830 0.000 -5.266) 9.436 15.838 ( 5.943 0.000 -16.864) 17.880 16.206 ( 5.679 0.000 -5.885) 8.178 16.711 ( 0.122 0.000 10.109) 10.110 16.981 ( 19.141 0.000 38.882) 43.338 17.032 ( -7.248 -0.000 2.730) 7.745 18.139 ( 11.817 0.000 -0.858) 11.848 19.500 ( -3.511 -0.000 -2.064) 4.073 20.296 ( -3.172 -0.000 6.648) 7.366 21.601 ( 8.968 0.000 -17.944) 20.060 22.168 ( 1.564 0.000 -18.484) 18.551 25.122 ( 4.448 0.000 8.290) 9.408 25.936 ( -26.837 -0.000 -21.411) 34.332 26.247 ( -7.708 -0.000 10.593) 13.100 28.682 ( 17.954 0.000 -3.866) 18.366 29.365 ( -2.619 -0.000 7.241) 7.701 30.222 ( 9.981 0.000 2.658) 10.329 30.405 ( 5.674 0.000 3.517) 6.675 30.838 ( -13.249 -0.000 4.063) 13.858 31.106 ( -23.354 -0.000 -10.701) 25.689 31.570 ( -1.508 -0.000 3.276) 3.606 31.719 ( -0.203 -0.000 -2.062) 2.071 32.827 ( 21.318 0.000 11.242) 24.101 ======================= Grid point 195 (94/186) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 14.754 0.000 38.154) 40.907 2.785 ( 10.904 0.000 36.474) 38.069 3.953 ( -2.679 -0.000 9.855) 10.213 4.133 ( -1.783 -0.000 2.831) 3.346 4.693 ( 10.526 0.000 43.660) 44.911 5.256 ( 3.396 0.000 -0.707) 3.469 5.486 ( -21.021 -0.000 -7.939) 22.470 6.032 ( -7.084 -0.000 -8.713) 11.229 6.058 ( -8.348 -0.000 16.979) 18.920 6.417 ( -0.306 -0.000 -13.155) 13.159 6.423 ( -7.491 -0.000 12.178) 14.297 6.891 ( -12.941 -0.000 49.923) 51.573 6.927 ( 3.247 0.000 0.690) 3.319 7.514 ( -16.395 -0.000 5.552) 17.310 7.545 ( 8.846 0.000 -0.462) 8.859 8.229 ( -11.751 -0.000 3.867) 12.371 8.412 ( 6.759 0.000 0.967) 6.828 8.601 ( 6.237 0.000 -13.663) 15.020 8.948 ( 10.325 0.000 -4.168) 11.134 9.054 ( -8.885 -0.000 5.898) 10.664 9.309 ( 2.625 0.000 -0.115) 2.627 9.634 ( -3.447 -0.000 -8.297) 8.985 9.727 ( 5.213 0.000 -5.365) 7.481 10.131 ( -19.425 -0.000 4.625) 19.968 10.350 ( 9.113 0.000 0.763) 9.145 10.526 ( 3.483 0.000 -3.404) 4.870 10.761 ( 8.796 0.000 -6.944) 11.206 11.040 ( 0.994 0.000 -0.703) 1.217 11.236 ( 6.486 0.000 -10.369) 12.230 11.869 ( 4.288 0.000 -21.918) 22.333 12.135 ( -5.058 -0.000 12.319) 13.317 12.631 ( 2.238 0.000 0.879) 2.405 12.915 ( 12.607 0.000 8.396) 15.147 13.583 ( -18.040 -0.000 -4.303) 18.546 13.829 ( 3.900 0.000 8.860) 9.681 14.912 ( 3.001 0.000 -15.353) 15.643 15.008 ( 8.232 0.000 -9.378) 12.479 15.009 ( 3.986 0.000 -0.288) 3.996 15.675 ( 9.647 0.000 -11.658) 15.132 15.752 ( -8.133 -0.000 -15.117) 17.166 16.722 ( -13.668 -0.000 4.643) 14.435 17.423 ( -10.163 -0.000 -6.183) 11.896 17.536 ( 6.236 0.000 23.288) 24.108 18.379 ( -7.271 -0.000 8.531) 11.209 19.360 ( -16.134 -0.000 18.486) 24.537 20.165 ( -6.985 -0.000 1.998) 7.265 21.408 ( 17.541 0.000 -19.736) 26.405 21.585 ( 3.937 0.000 -25.322) 25.626 25.352 ( -5.739 -0.000 6.477) 8.654 25.873 ( 25.380 0.000 -6.339) 26.160 26.672 ( 6.706 0.000 20.128) 21.216 28.421 ( -11.605 -0.000 -19.260) 22.486 29.629 ( 3.004 0.000 12.121) 12.488 30.207 ( -5.803 -0.000 0.671) 5.842 30.366 ( -14.668 -0.000 -6.095) 15.884 30.424 ( 0.240 0.000 0.757) 0.794 31.135 ( 12.769 0.000 7.527) 14.822 31.533 ( 1.502 0.000 -2.947) 3.308 31.951 ( 1.079 0.000 10.993) 11.046 32.888 ( -8.789 -0.000 -8.249) 12.054 ======================= Grid point 196 (95/186) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 17.223 -4.745 27.240) 32.575 3.195 ( 12.263 -9.299 28.784) 32.640 3.961 ( 1.207 1.706 9.294) 9.526 4.166 ( 6.518 3.697 4.435) 8.708 4.984 ( -7.525 10.202 -5.489) 13.814 5.147 ( 10.426 -10.133 26.892) 30.570 5.534 ( 0.134 -15.034 4.953) 15.829 5.903 ( -2.309 5.320 -4.670) 7.446 6.064 ( -8.358 -6.015 21.355) 23.708 6.356 ( -3.958 -0.787 2.465) 4.729 6.408 ( -5.168 -3.012 9.538) 11.259 6.882 ( -1.849 8.780 -0.101) 8.973 7.009 ( -6.414 -6.990 34.929) 36.194 7.363 ( -11.376 -2.952 8.891) 14.737 7.687 ( 11.812 -0.590 -0.600) 11.842 8.019 ( -10.702 6.128 -4.276) 13.053 8.402 ( 3.776 5.857 11.276) 13.255 8.747 ( -4.110 -13.294 -8.810) 16.469 8.904 ( -7.315 -1.190 -5.521) 9.242 9.071 ( -1.763 -3.930 1.139) 4.456 9.312 ( 2.010 -0.448 -14.179) 14.327 9.556 ( 0.306 4.299 6.750) 8.009 9.763 ( -1.819 -4.048 -8.775) 9.834 9.936 ( -13.322 0.410 8.004) 15.547 10.484 ( 18.878 5.135 -3.248) 19.832 10.638 ( 1.838 -6.701 -0.186) 6.951 10.788 ( 4.002 5.238 -3.599) 7.511 11.063 ( 8.288 0.485 -3.642) 9.066 11.340 ( 5.089 -7.974 -15.148) 17.859 11.923 ( 12.311 -4.543 -16.953) 21.439 12.118 ( -3.678 -0.013 7.255) 8.134 12.580 ( -2.989 9.753 3.796) 10.884 13.029 ( 8.868 8.105 8.343) 14.627 13.364 ( -13.108 -2.584 -4.416) 14.071 13.894 ( 2.054 0.928 9.051) 9.327 14.714 ( -0.267 9.661 -24.818) 26.634 15.060 ( -0.560 -0.375 -1.533) 1.675 15.160 ( 6.665 -2.040 4.747) 8.433 15.421 ( -6.565 9.563 -11.788) 16.538 15.901 ( 2.612 -14.554 -15.298) 21.276 16.551 ( -11.407 2.481 4.661) 12.570 17.243 ( -14.150 -0.910 -0.932) 14.210 17.676 ( 3.089 3.349 20.314) 20.819 18.065 ( -25.568 10.724 9.941) 29.454 19.340 ( 0.410 1.356 20.302) 20.352 20.153 ( 1.050 -2.149 -1.943) 3.082 21.505 ( 6.595 -1.480 -18.789) 19.968 21.646 ( 16.123 -4.191 -23.648) 28.927 25.295 ( -7.096 -0.823 4.993) 8.715 26.176 ( 25.697 1.419 -12.942) 28.807 26.863 ( 7.647 -0.185 20.788) 22.150 28.119 ( -13.260 5.143 -18.502) 23.337 29.728 ( 2.881 -0.596 14.741) 15.032 30.117 ( -10.374 1.351 -1.932) 10.639 30.188 ( -9.494 -3.550 1.714) 10.280 30.455 ( -1.311 -3.815 -1.713) 4.382 31.297 ( 8.353 3.543 7.586) 11.827 31.595 ( 5.181 -4.613 -4.130) 8.073 31.940 ( 0.501 7.744 14.159) 16.146 32.780 ( -8.711 -6.806 -11.614) 16.034 ======================= Grid point 197 (96/186) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 6.296 -8.897 9.060) 14.173 3.568 ( 13.120 -13.146 15.381) 24.115 3.904 ( -1.118 9.771 0.225) 9.837 4.234 ( 10.407 8.185 21.247) 25.035 4.955 ( 8.251 -1.551 -0.358) 8.403 5.328 ( -5.899 -11.081 2.890) 12.882 5.691 ( 2.851 11.179 2.639) 11.835 5.806 ( 4.582 4.414 -0.416) 6.376 6.177 ( -2.488 -4.545 16.512) 17.306 6.357 ( -4.838 -3.916 12.715) 14.157 6.575 ( -3.002 -12.923 25.078) 28.371 6.740 ( -2.487 -0.521 1.861) 3.150 7.160 ( -3.791 -5.844 18.476) 19.745 7.333 ( -9.267 -3.190 14.709) 17.675 7.667 ( -8.532 9.472 1.696) 12.860 7.971 ( 11.174 -5.383 0.073) 12.403 8.465 ( 0.514 -0.507 19.054) 19.067 8.675 ( -14.144 -4.969 -1.421) 15.059 8.973 ( -2.768 -13.350 -16.238) 21.203 9.032 ( -7.010 -2.048 2.534) 7.730 9.277 ( -1.471 -2.695 -14.492) 14.814 9.547 ( -1.156 -0.838 -0.557) 1.533 9.715 ( 3.172 9.824 4.252) 11.164 9.885 ( -8.749 -11.100 1.910) 14.262 10.439 ( 6.146 21.324 -0.189) 22.193 10.710 ( 7.737 0.436 4.358) 8.891 10.969 ( 10.978 -12.090 -10.787) 19.571 11.171 ( 8.613 -2.249 -5.780) 10.613 11.464 ( 5.243 -10.696 -17.060) 20.807 12.043 ( -0.407 3.361 3.606) 4.946 12.175 ( 12.447 -5.766 -15.706) 20.853 12.300 ( -8.456 17.196 1.031) 19.190 13.036 ( 7.967 8.615 7.073) 13.701 13.267 ( -5.438 -0.913 -0.322) 5.524 13.951 ( 2.211 0.284 9.372) 9.634 14.470 ( -1.736 8.607 -21.679) 23.390 14.910 ( -9.065 14.222 7.455) 18.440 15.089 ( -10.839 -2.890 -11.324) 15.940 15.402 ( 3.146 -4.450 1.994) 5.803 16.060 ( 1.973 -12.164 -14.286) 18.866 16.411 ( -5.678 3.030 4.317) 7.749 17.091 ( -13.132 -0.969 7.515) 15.162 17.571 ( -16.903 4.259 4.720) 18.059 17.790 ( -1.167 7.949 17.846) 19.571 19.422 ( 5.802 5.254 17.399) 19.078 20.200 ( 2.148 -2.167 -3.205) 4.425 21.542 ( 7.733 -2.148 -20.775) 22.271 21.822 ( 13.653 -4.050 -20.266) 24.770 25.237 ( -5.271 -0.027 4.268) 6.782 26.365 ( 14.865 1.469 -17.187) 22.771 27.017 ( 3.517 1.587 18.360) 18.761 27.840 ( -5.454 4.544 -15.156) 16.736 29.845 ( 2.907 -0.971 16.011) 16.302 29.945 ( -9.120 1.975 -1.147) 9.402 30.175 ( -6.300 -6.120 5.376) 10.298 30.472 ( -4.551 -4.534 -0.794) 6.473 31.318 ( -1.491 2.895 8.603) 9.199 31.667 ( 1.888 2.440 -1.260) 3.333 31.975 ( 4.974 -0.854 13.624) 14.529 32.737 ( -1.254 -4.393 -18.016) 18.586 ======================= Grid point 198 (97/186) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -9.336 10.674 -14.637) 20.379 3.847 ( 4.895 1.320 13.934) 14.828 4.096 ( 15.959 -17.796 3.960) 24.230 4.363 ( 7.630 6.784 23.600) 25.714 4.932 ( -2.863 4.412 0.414) 5.276 5.458 ( -7.432 8.931 5.830) 13.000 5.542 ( 7.142 -3.139 -6.381) 10.079 5.839 ( 9.085 1.142 4.303) 10.117 6.251 ( -0.729 -0.456 16.077) 16.100 6.457 ( -0.076 -4.344 13.774) 14.443 6.632 ( -5.922 -2.031 21.157) 22.064 6.819 ( -12.507 -3.011 5.677) 14.062 7.178 ( -1.662 2.625 5.219) 6.074 7.371 ( -7.893 -10.141 15.984) 20.509 7.508 ( -4.054 3.320 7.978) 9.545 8.246 ( 3.890 -11.313 1.726) 12.087 8.508 ( -8.651 -1.168 9.365) 12.803 8.584 ( -8.172 -2.336 6.356) 10.613 8.919 ( -2.774 0.896 8.520) 9.005 9.066 ( -1.188 -3.047 2.723) 4.255 9.313 ( -2.730 -12.304 -17.077) 21.224 9.515 ( 3.029 6.338 -0.174) 7.027 9.645 ( -2.497 2.596 3.204) 4.821 10.013 ( 0.410 -15.696 -3.930) 16.186 10.260 ( 2.795 8.679 3.754) 9.861 10.856 ( 10.185 -0.775 -1.471) 10.320 11.072 ( 6.165 2.402 -7.505) 10.005 11.293 ( -0.386 -1.808 -13.402) 13.529 11.671 ( 3.534 -14.318 -9.617) 17.606 11.943 ( -3.261 7.741 0.520) 8.415 12.002 ( 5.626 10.471 -3.910) 12.514 12.275 ( 7.881 3.101 -17.987) 19.882 13.010 ( 4.546 13.909 5.205) 15.531 13.284 ( 1.338 -5.984 4.739) 7.749 14.008 ( 2.552 1.322 3.430) 4.475 14.250 ( -4.531 5.154 -6.299) 9.314 14.638 ( -7.067 7.003 -0.275) 9.953 14.949 ( -12.858 -4.925 -7.168) 15.523 15.459 ( -2.289 -0.777 2.199) 3.268 16.208 ( 2.690 -11.500 -10.513) 15.812 16.360 ( 0.352 2.094 4.621) 5.085 16.975 ( -9.749 2.410 15.571) 18.529 17.425 ( -8.781 -8.469 -3.739) 12.759 17.737 ( 3.049 11.597 13.885) 18.346 19.473 ( 5.027 6.822 14.827) 17.077 20.243 ( 1.565 -1.792 -0.802) 2.511 21.576 ( 8.959 1.193 -21.995) 23.780 21.935 ( 8.401 -2.825 -19.981) 21.858 25.203 ( -0.992 1.405 4.849) 5.145 26.366 ( -1.682 -0.221 -19.976) 20.048 27.042 ( -3.711 4.364 15.148) 16.195 27.755 ( 8.137 1.669 -11.288) 14.015 29.803 ( -6.171 2.785 -0.026) 6.771 29.969 ( 4.868 1.007 16.180) 16.927 30.255 ( -5.719 -11.717 8.251) 15.430 30.468 ( -4.811 -3.634 2.040) 6.365 31.278 ( -7.543 -0.868 10.230) 12.740 31.616 ( 0.783 5.243 0.085) 5.302 32.089 ( -3.101 -2.804 8.500) 9.473 32.745 ( 11.509 0.081 -20.559) 23.561 ======================= Grid point 199 (98/186) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -8.353 18.438 -10.460) 22.785 3.918 ( -1.424 0.366 11.036) 11.133 4.208 ( -9.452 20.901 16.163) 28.061 4.500 ( 7.409 -9.042 -0.711) 11.711 5.011 ( 3.865 -10.139 0.688) 10.873 5.265 ( -3.018 7.349 8.469) 11.612 5.603 ( 10.941 4.316 -2.626) 12.051 5.903 ( -1.579 7.698 10.756) 13.321 6.341 ( 0.498 -3.282 15.253) 15.610 6.552 ( -2.223 -1.532 8.948) 9.347 6.603 ( -13.966 1.167 -0.400) 14.021 6.765 ( -3.988 -9.125 34.811) 36.207 7.202 ( 0.837 -2.644 6.229) 6.818 7.343 ( -8.852 11.731 8.683) 17.069 7.555 ( 0.378 -13.539 2.546) 13.782 8.179 ( -15.904 4.947 6.354) 17.826 8.397 ( -10.068 -1.649 -2.891) 10.604 8.633 ( -0.922 -3.215 9.920) 10.469 9.055 ( 1.337 -9.433 4.407) 10.498 9.105 ( -3.088 0.546 4.848) 5.773 9.356 ( 9.322 -2.113 0.450) 9.569 9.466 ( 5.688 8.756 1.363) 10.530 9.585 ( -6.878 0.526 2.236) 7.251 10.225 ( -7.207 -11.104 2.497) 13.471 10.396 ( 14.025 -15.868 -4.100) 21.571 10.849 ( -3.513 2.949 -14.269) 14.988 11.027 ( -4.050 11.420 -14.284) 18.731 11.240 ( 9.604 -5.291 1.854) 11.121 11.632 ( -0.879 12.812 -6.175) 14.250 11.859 ( 1.012 1.111 -7.453) 7.603 12.162 ( 1.927 8.314 -16.999) 19.021 12.197 ( 10.807 -10.623 -0.659) 15.168 12.813 ( -2.684 15.107 5.032) 16.148 13.408 ( -0.841 -3.972 6.023) 7.263 13.959 ( 2.135 2.103 -15.670) 15.954 14.289 ( 4.393 -6.409 14.980) 16.875 14.533 ( -1.479 -0.946 -4.625) 4.947 14.866 ( -9.500 -8.111 -3.958) 13.103 15.407 ( -2.775 1.857 -1.993) 3.889 16.318 ( 3.814 -0.080 -10.785) 11.439 16.428 ( 0.572 -8.688 11.151) 14.147 16.927 ( -2.324 1.715 16.060) 16.318 17.503 ( -4.382 -13.214 -2.028) 14.068 17.658 ( 5.719 11.536 6.017) 14.213 19.489 ( 2.354 5.408 13.227) 14.483 20.291 ( 1.311 -1.436 3.864) 4.325 21.548 ( 9.881 6.513 -24.102) 26.850 21.957 ( 3.385 -1.408 -20.603) 20.927 25.218 ( 4.060 2.423 6.595) 8.115 26.180 ( -14.060 -1.321 -20.071) 24.542 26.933 ( -8.888 6.621 13.016) 17.095 27.883 ( 15.834 -1.911 -9.367) 18.496 29.694 ( -3.917 3.932 2.948) 6.284 30.093 ( 6.978 0.503 11.088) 13.111 30.389 ( -5.114 -8.903 8.432) 13.286 30.500 ( -4.032 -8.113 6.731) 11.286 31.245 ( -10.458 -4.944 11.730) 16.474 31.543 ( -0.527 4.954 -0.845) 5.053 32.014 ( -9.905 2.483 0.248) 10.215 32.869 ( 19.616 1.995 -16.311) 25.589 ======================= Grid point 200 (99/186) ======================= q-point: (-0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -5.766 18.705 2.207) 19.698 3.694 ( -17.797 26.523 17.240) 36.297 3.933 ( -9.073 -0.467 13.794) 16.517 4.578 ( -3.426 -0.689 -3.790) 5.155 5.069 ( 2.521 8.892 1.617) 9.383 5.222 ( -1.043 4.115 2.623) 4.990 5.613 ( -3.502 8.989 9.662) 13.654 5.923 ( 12.183 -4.737 13.459) 18.762 6.378 ( -12.961 -0.991 10.376) 16.632 6.465 ( -0.921 -2.425 2.328) 3.486 6.593 ( -5.531 -1.052 13.013) 14.179 6.961 ( -11.114 2.976 26.816) 29.180 7.149 ( 4.166 -2.609 14.111) 14.943 7.284 ( -1.507 -4.879 2.021) 5.492 7.773 ( -1.160 -12.648 -0.123) 12.701 7.935 ( -14.590 4.220 10.982) 18.742 8.304 ( -2.842 -0.763 -5.756) 6.465 8.620 ( -4.922 3.787 3.943) 7.356 8.979 ( -1.217 1.805 -13.227) 13.405 9.216 ( -2.572 -3.521 9.588) 10.533 9.425 ( 3.856 0.697 6.925) 7.957 9.487 ( -2.465 7.468 9.588) 12.401 9.639 ( 13.103 -7.113 -0.564) 14.920 10.206 ( -7.086 1.007 -5.418) 8.977 10.595 ( -4.397 8.922 -13.595) 16.845 10.736 ( 5.233 -5.626 -4.528) 8.919 10.922 ( -0.420 -7.632 -5.938) 9.679 11.374 ( -2.131 8.351 -9.081) 12.520 11.491 ( 6.362 -1.395 4.515) 7.925 11.754 ( 3.383 9.255 -6.620) 11.871 11.997 ( 0.425 1.713 -16.362) 16.457 12.428 ( 0.557 -7.824 0.820) 7.887 12.601 ( -3.053 9.709 3.398) 10.730 13.460 ( -0.940 -3.828 6.679) 7.755 13.945 ( 2.651 -3.506 -16.168) 16.755 14.477 ( 0.074 -5.580 5.082) 7.548 14.636 ( 10.962 -4.504 5.212) 12.946 14.900 ( -4.829 -11.338 -4.794) 13.223 15.356 ( 2.404 0.758 -7.562) 7.971 16.287 ( 3.530 4.005 -9.854) 11.207 16.638 ( -0.213 -11.127 13.434) 17.444 16.991 ( 3.093 0.120 16.741) 17.025 17.542 ( 0.364 5.790 11.043) 12.475 17.717 ( 3.290 -11.642 -9.901) 15.633 19.498 ( -0.727 2.103 12.749) 12.941 20.347 ( 0.101 -1.212 7.992) 8.084 21.456 ( 11.741 10.473 -26.243) 30.597 21.901 ( 0.334 0.057 -21.328) 21.331 25.290 ( 7.556 2.953 8.312) 11.615 25.901 ( -17.934 -1.080 -16.443) 24.355 26.751 ( -10.321 7.123 12.063) 17.400 28.115 ( 15.709 -5.618 -8.783) 18.854 29.610 ( -2.524 3.896 5.076) 6.878 30.218 ( 6.260 -0.138 4.833) 7.909 30.457 ( 1.866 -0.807 7.952) 8.208 30.612 ( -9.829 -13.014 5.372) 17.171 31.229 ( -13.215 -4.842 11.197) 17.985 31.474 ( -0.569 0.743 1.720) 1.958 31.817 ( -7.603 6.140 -2.610) 10.115 33.022 ( 18.973 4.404 -14.060) 24.022 ======================= Grid point 201 (100/186) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -1.611 11.761 20.387) 23.592 3.126 ( -19.209 27.147 27.144) 42.927 3.885 ( -9.425 -2.339 13.293) 16.462 4.454 ( -7.788 4.873 -1.596) 9.325 4.825 ( -3.275 25.608 23.461) 34.884 5.155 ( -0.884 -0.288 -8.196) 8.249 5.599 ( 1.783 -2.257 10.225) 10.622 6.159 ( 5.243 4.380 9.585) 11.771 6.302 ( -5.097 -4.276 2.456) 7.092 6.445 ( -8.515 -1.973 8.136) 11.942 6.589 ( -11.278 -4.025 19.302) 22.715 6.861 ( -3.433 -0.114 2.872) 4.477 7.265 ( -14.768 3.258 14.971) 21.280 7.348 ( 5.357 0.017 9.340) 10.767 7.738 ( -14.589 -2.657 20.686) 25.452 7.925 ( 0.935 -10.308 -11.827) 15.716 8.322 ( 1.846 -2.764 -0.909) 3.446 8.530 ( 4.000 2.829 -1.290) 5.067 8.919 ( -1.131 -1.284 -9.069) 9.229 9.256 ( -1.252 1.971 8.706) 9.014 9.395 ( -0.141 4.723 10.048) 11.104 9.464 ( 4.353 7.642 -1.847) 8.987 9.863 ( 6.353 -5.762 -4.248) 9.571 10.035 ( -1.043 3.114 -10.667) 11.161 10.465 ( 1.246 2.220 -7.561) 7.978 10.722 ( -3.569 4.050 -1.063) 5.501 10.941 ( -0.410 2.422 -6.559) 7.004 11.136 ( -12.704 6.832 -6.647) 15.882 11.377 ( 0.575 9.819 -2.964) 10.272 11.965 ( 4.968 -2.418 -13.913) 14.970 11.975 ( 5.344 -13.949 3.629) 15.372 12.440 ( 4.867 6.536 8.911) 12.075 12.546 ( -2.547 -5.728 -6.740) 9.205 13.568 ( 3.716 -3.558 8.133) 9.623 13.937 ( -6.929 -5.679 -11.010) 14.195 14.606 ( 5.266 -6.345 1.046) 8.311 14.808 ( 9.151 2.729 2.878) 9.973 15.005 ( -2.238 -11.404 -6.123) 13.136 15.403 ( 8.445 -2.365 -12.823) 15.535 16.202 ( 3.909 8.317 -14.786) 17.409 16.819 ( -5.501 -9.532 12.864) 16.929 17.131 ( 4.693 -2.001 17.939) 18.651 17.545 ( 6.713 4.990 5.429) 9.972 17.916 ( -1.024 -17.247 -0.171) 17.278 19.513 ( -4.412 -1.303 12.154) 12.996 20.378 ( -4.620 -1.365 8.620) 9.875 21.354 ( 14.205 11.077 -26.885) 32.362 21.797 ( -0.471 1.255 -22.247) 22.287 25.379 ( 6.610 3.886 8.621) 11.538 25.651 ( -10.777 -0.740 -9.115) 14.135 26.590 ( -6.995 5.322 13.356) 15.989 28.362 ( 10.418 -9.016 -10.033) 17.044 29.560 ( -1.072 3.071 6.872) 7.603 30.287 ( 1.359 -0.896 0.972) 1.896 30.509 ( 3.609 4.834 1.338) 6.180 30.656 ( -9.482 -10.116 3.846) 14.388 31.068 ( -13.245 3.525 1.880) 13.834 31.587 ( 0.539 -9.807 11.325) 14.991 31.652 ( -3.067 5.311 0.302) 6.140 33.098 ( 13.037 7.009 -13.378) 19.952 ======================= Grid point 202 (101/186) ======================= q-point: (-0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 4.928 1.613 34.938) 35.320 2.732 ( -5.152 19.394 36.371) 41.539 3.895 ( -5.557 -5.386 13.820) 15.839 4.249 ( -6.798 9.269 6.374) 13.144 4.600 ( 0.191 15.843 30.615) 34.472 5.162 ( 0.445 -5.797 -6.405) 8.650 5.691 ( -1.266 0.170 6.040) 6.173 6.083 ( -5.674 2.086 5.061) 7.884 6.255 ( -14.348 0.704 1.141) 14.411 6.422 ( -4.973 -3.167 3.939) 7.090 6.526 ( -8.330 0.403 2.412) 8.681 6.869 ( 1.753 -1.983 -2.618) 3.723 6.988 ( -18.521 11.291 40.994) 46.379 7.441 ( 5.876 -0.763 1.725) 6.172 7.668 ( -16.149 -4.411 10.436) 19.727 8.148 ( 9.520 -12.700 -1.912) 15.987 8.319 ( -9.258 -4.051 2.939) 10.525 8.641 ( 15.956 6.283 -7.235) 18.612 8.887 ( 2.227 3.382 -2.406) 4.710 9.150 ( -4.233 5.462 3.350) 7.679 9.310 ( -0.997 5.915 3.364) 6.877 9.537 ( 5.967 -7.258 -3.742) 10.114 9.830 ( -0.878 6.310 -9.176) 11.171 10.137 ( 9.816 -6.622 -5.959) 13.256 10.398 ( -13.043 0.123 2.184) 13.225 10.582 ( 0.956 7.487 0.046) 7.548 10.773 ( 2.520 11.235 -11.119) 16.007 11.005 ( -6.723 -8.212 -2.102) 10.819 11.270 ( 3.138 6.653 -5.927) 9.446 11.932 ( 1.687 -0.030 -20.679) 20.747 12.139 ( -3.603 -0.762 14.535) 14.994 12.575 ( 1.481 -4.157 -3.604) 5.697 12.642 ( 14.340 -6.223 6.118) 16.786 13.710 ( 5.048 -2.325 8.581) 10.224 13.817 ( -14.718 -2.297 -5.278) 15.804 14.783 ( 8.511 -4.437 -1.394) 9.699 14.890 ( 7.343 -1.019 -2.529) 7.832 15.072 ( 0.601 -2.865 -12.300) 12.644 15.515 ( 7.905 -5.721 -12.265) 15.673 16.012 ( 0.333 12.192 -16.749) 20.719 16.844 ( -11.988 -4.417 6.813) 14.479 17.323 ( 6.004 -3.176 20.479) 21.576 17.550 ( 0.378 3.105 -4.471) 5.457 18.207 ( 2.724 -15.376 11.921) 19.646 19.493 ( -11.600 -2.055 11.969) 16.794 20.305 ( -12.672 0.048 5.661) 13.879 21.312 ( 17.042 6.904 -24.617) 30.726 21.677 ( 0.482 1.592 -23.413) 23.472 25.388 ( -1.487 2.684 7.451) 8.058 25.637 ( 10.586 -0.441 -2.902) 10.985 26.553 ( 0.584 2.134 16.925) 17.069 28.517 ( -0.423 -8.137 -14.876) 16.961 29.560 ( 1.402 1.431 9.347) 9.559 30.286 ( -5.168 -1.656 -1.349) 5.592 30.430 ( 2.123 6.702 -1.353) 7.159 30.608 ( -14.578 -1.077 -3.257) 14.977 30.971 ( 4.113 0.259 7.561) 8.611 31.560 ( -0.447 2.961 -1.759) 3.473 31.810 ( 1.022 -9.402 12.998) 16.074 33.040 ( 1.685 6.902 -11.062) 13.147 ======================= Grid point 204 (102/186) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 10.177 0.000 14.167) 17.443 3.405 ( 11.096 0.000 25.824) 28.107 4.023 ( 3.345 0.000 4.918) 5.948 4.457 ( 22.202 0.000 13.211) 25.835 4.945 ( -6.884 -0.000 -3.359) 7.660 5.256 ( 2.609 0.000 6.634) 7.129 5.595 ( 16.882 0.000 34.809) 38.687 5.887 ( -2.050 -0.000 -11.322) 11.506 6.050 ( 0.101 0.000 17.962) 17.962 6.285 ( -1.883 -0.000 -9.225) 9.415 6.390 ( -5.708 -0.000 30.261) 30.795 6.977 ( -0.201 -0.000 0.132) 0.241 7.018 ( -11.514 -0.000 41.351) 42.924 7.195 ( -5.282 -0.000 -0.681) 5.326 7.863 ( -13.563 -0.000 -6.702) 15.128 7.869 ( 16.570 0.000 -2.471) 16.753 8.507 ( -10.708 -0.000 7.088) 12.842 8.543 ( -0.551 -0.000 -16.347) 16.356 8.660 ( -15.505 -0.000 7.465) 17.209 9.023 ( -5.313 -0.000 -1.451) 5.507 9.289 ( 3.802 0.000 -12.291) 12.866 9.556 ( -10.571 -0.000 -5.301) 11.826 9.673 ( 5.267 0.000 2.600) 5.874 9.886 ( -6.457 -0.000 6.354) 9.059 10.680 ( 13.161 0.000 -2.754) 13.446 10.743 ( 16.574 0.000 -4.254) 17.111 10.877 ( 2.317 0.000 -9.466) 9.745 11.185 ( 9.911 0.000 2.309) 10.177 11.268 ( 5.350 0.000 -14.481) 15.437 12.013 ( 17.615 0.000 -17.257) 24.659 12.111 ( -1.249 -0.000 5.759) 5.893 12.584 ( -13.325 -0.000 4.344) 14.015 13.168 ( -6.967 -0.000 0.102) 6.968 13.243 ( 6.135 0.000 11.545) 13.074 13.943 ( -0.288 -0.000 8.846) 8.851 14.644 ( -3.416 -0.000 -31.443) 31.628 14.979 ( -4.519 -0.000 -9.408) 10.437 15.269 ( 5.122 0.000 9.170) 10.504 15.383 ( -11.841 -0.000 -0.695) 11.862 15.741 ( 2.548 0.000 -12.197) 12.460 16.476 ( -3.704 -0.000 -0.056) 3.705 17.024 ( -16.277 -0.000 2.340) 16.444 17.736 ( -36.190 -0.000 15.954) 39.550 17.832 ( 1.719 0.000 20.206) 20.279 19.530 ( 11.492 0.000 14.038) 18.142 20.179 ( 6.106 0.000 -4.557) 7.619 21.476 ( 5.665 0.000 -22.452) 23.156 21.764 ( 16.882 0.000 -17.513) 24.325 25.234 ( -4.264 -0.000 5.221) 6.741 26.391 ( 13.929 0.000 -20.197) 24.534 27.040 ( 4.951 0.000 21.416) 21.981 27.932 ( -7.173 -0.000 -17.992) 19.369 29.826 ( 2.564 0.000 16.117) 16.320 29.928 ( -12.704 -0.000 -4.113) 13.353 30.096 ( -5.555 -0.000 5.414) 7.757 30.406 ( -2.293 -0.000 -0.320) 2.315 31.440 ( -1.335 -0.000 11.000) 11.081 31.587 ( 4.907 0.000 -5.912) 7.683 32.051 ( -0.526 -0.000 10.546) 10.559 32.625 ( 1.441 0.000 -9.640) 9.747 ======================= Grid point 205 (103/186) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 5.657 -0.494 3.384) 6.610 3.643 ( 8.641 -6.884 16.719) 20.040 4.074 ( 6.609 4.514 2.598) 8.414 4.690 ( 16.568 15.884 17.786) 29.037 5.022 ( 11.494 -9.756 8.749) 17.431 5.259 ( -1.169 5.489 4.610) 7.263 5.764 ( -2.941 4.703 -10.980) 12.301 5.977 ( 4.216 -9.028 20.972) 23.219 6.156 ( 2.758 -0.991 15.302) 15.580 6.262 ( -2.104 -3.373 0.844) 4.064 6.576 ( 6.204 -3.812 32.060) 32.877 6.780 ( -4.709 10.680 -2.148) 11.868 7.057 ( -14.486 -5.928 34.607) 37.982 7.280 ( 4.282 -3.193 2.615) 5.947 7.638 ( -12.128 2.954 -2.502) 12.731 8.086 ( 10.827 0.579 -3.007) 11.251 8.333 ( -12.095 -11.053 -2.318) 16.548 8.497 ( -2.870 -4.137 4.140) 6.518 8.665 ( -4.686 -8.254 -4.901) 10.682 8.931 ( -6.874 -0.897 0.727) 6.971 9.263 ( 0.445 4.871 -8.384) 9.707 9.431 ( -5.629 -5.001 -6.405) 9.885 9.738 ( 0.929 -1.234 0.860) 1.768 9.813 ( -7.601 1.950 9.693) 12.471 10.691 ( -1.607 10.139 -10.927) 14.993 10.921 ( 15.614 1.607 -0.161) 15.697 10.981 ( 16.374 -7.598 -8.450) 19.931 11.287 ( 10.987 4.022 -0.906) 11.735 11.340 ( 4.441 -2.337 -12.851) 13.796 12.120 ( 2.485 2.730 3.932) 5.393 12.209 ( 9.870 -1.813 -18.198) 20.782 12.324 ( -10.454 3.025 0.362) 10.889 13.141 ( -0.162 -0.410 6.316) 6.331 13.331 ( 3.110 3.616 11.060) 12.045 13.994 ( 1.157 -1.463 8.900) 9.093 14.423 ( -4.363 3.712 -29.325) 29.879 14.844 ( -11.449 -0.872 -11.039) 15.928 15.054 ( -10.434 18.992 8.632) 23.325 15.403 ( 0.107 -3.253 9.731) 10.260 15.836 ( 0.405 -13.320 -9.301) 16.251 16.450 ( 4.189 3.215 -3.754) 6.479 16.886 ( -12.699 -5.882 6.063) 15.252 17.341 ( -28.720 1.190 15.225) 32.528 17.907 ( -1.836 1.215 17.602) 17.739 19.686 ( 11.217 5.883 5.039) 13.632 20.251 ( 7.442 1.102 -1.075) 7.600 21.488 ( 5.992 -4.200 -23.549) 24.660 21.900 ( 13.261 -0.130 -16.169) 20.912 25.228 ( 0.028 0.375 6.169) 6.181 26.364 ( -3.403 0.023 -22.699) 22.953 27.141 ( -1.198 2.071 18.857) 19.008 27.827 ( 5.356 2.131 -15.872) 16.887 29.778 ( -9.237 -1.698 -2.160) 9.637 29.941 ( -0.005 -4.097 13.721) 14.320 30.071 ( -3.396 -0.512 10.136) 10.702 30.389 ( -1.801 -1.308 1.389) 2.624 31.345 ( -11.173 4.391 12.837) 17.575 31.665 ( 2.970 -3.393 -6.094) 7.581 32.060 ( -1.124 2.097 11.023) 11.277 32.700 ( 12.745 -2.118 -14.698) 19.569 ======================= Grid point 206 (104/186) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 0.745 9.833 -5.830) 11.455 3.999 ( 9.394 -6.554 13.070) 17.379 4.112 ( 8.338 -1.517 2.359) 8.797 4.756 ( 13.735 13.342 19.297) 27.185 5.048 ( -1.758 15.229 0.902) 15.357 5.364 ( -0.934 -8.199 6.200) 10.321 5.636 ( 3.600 3.873 -5.433) 7.581 6.083 ( 6.145 7.484 12.889) 16.121 6.309 ( -0.159 -0.864 18.235) 18.256 6.366 ( 0.350 -12.820 5.608) 13.997 6.619 ( -4.743 1.341 15.514) 16.278 6.677 ( -12.317 1.243 6.943) 14.193 7.159 ( -4.795 -8.007 20.162) 22.217 7.300 ( -1.672 5.958 5.743) 8.442 7.502 ( -7.056 -2.257 12.305) 14.363 8.168 ( 2.995 -5.025 -6.474) 8.725 8.359 ( -3.784 -0.740 -5.631) 6.824 8.566 ( -6.444 -0.886 19.891) 20.928 8.822 ( 1.351 -22.887 -11.706) 25.742 8.944 ( 2.484 -4.713 5.780) 7.861 9.136 ( -0.482 2.830 -6.911) 7.484 9.499 ( 0.014 -9.176 -2.187) 9.433 9.675 ( -11.443 5.220 11.694) 17.174 9.805 ( 1.581 -7.940 -0.986) 8.156 10.450 ( -1.203 12.712 -6.299) 14.238 11.041 ( 8.481 9.618 -9.861) 16.177 11.225 ( -1.017 5.668 -1.953) 6.081 11.256 ( 15.821 -2.364 -8.880) 18.296 11.470 ( 5.512 -13.718 -6.774) 16.262 11.962 ( -9.682 5.057 -8.287) 13.711 12.135 ( 6.247 5.667 -5.053) 9.832 12.434 ( 14.271 3.530 -8.934) 17.202 13.233 ( 2.666 -3.742 6.083) 7.623 13.300 ( 0.645 8.687 9.141) 12.627 14.034 ( -0.308 1.894 -6.752) 7.020 14.242 ( -1.909 2.205 -3.386) 4.469 14.645 ( -12.682 -1.931 -4.409) 13.565 14.701 ( -9.334 12.640 3.554) 16.110 15.450 ( -2.667 -0.198 7.870) 8.312 16.018 ( 1.946 -13.469 -5.979) 14.865 16.459 ( 5.889 3.960 -0.807) 7.142 16.891 ( -5.910 -5.917 7.328) 11.120 17.130 ( -17.551 -8.968 9.068) 21.695 17.897 ( -3.864 3.724 13.776) 14.784 19.691 ( 5.784 8.398 -3.375) 10.741 20.336 ( 8.377 3.193 6.306) 10.960 21.541 ( 5.318 -5.684 -23.926) 25.160 21.967 ( 9.261 1.830 -17.788) 20.138 25.274 ( 4.214 1.282 7.677) 8.851 26.152 ( -13.761 -0.597 -21.145) 25.236 27.103 ( -7.406 4.691 15.075) 17.439 27.870 ( 12.731 0.599 -14.226) 19.100 29.698 ( -7.490 -2.777 -0.588) 8.010 30.043 ( -6.834 -9.955 4.367) 12.840 30.132 ( 4.841 1.638 20.984) 21.597 30.415 ( 1.150 -1.478 4.491) 4.865 31.186 ( -14.500 0.961 14.228) 20.337 31.681 ( 2.443 1.986 -7.767) 8.380 32.045 ( -4.910 1.371 9.795) 11.042 32.863 ( 17.772 -1.459 -17.938) 25.293 ======================= Grid point 207 (105/186) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 6.121 18.995 -7.421) 21.292 4.005 ( -1.227 8.228 10.534) 13.422 4.402 ( 2.864 -5.631 3.091) 7.033 4.581 ( -3.637 21.974 8.606) 23.878 4.992 ( 7.236 -0.360 0.268) 7.250 5.313 ( -5.804 3.320 9.685) 11.769 5.715 ( 7.308 -2.006 -6.167) 9.771 6.074 ( -2.447 7.322 16.673) 18.374 6.371 ( -1.330 -1.245 9.279) 9.456 6.441 ( -11.871 2.684 2.745) 12.477 6.570 ( 3.510 -2.330 4.946) 6.497 6.734 ( -1.814 -9.084 35.412) 36.604 7.234 ( 0.678 2.544 2.809) 3.850 7.281 ( -7.945 -7.933 12.378) 16.712 7.486 ( -4.891 0.858 7.464) 8.964 8.137 ( -6.616 8.994 6.117) 12.731 8.279 ( -1.125 -2.085 -1.471) 2.789 8.619 ( 0.051 -3.729 5.976) 7.044 8.988 ( -0.540 -5.406 -12.656) 13.773 9.033 ( -2.097 -3.423 10.601) 11.336 9.303 ( 2.901 -14.378 7.660) 16.547 9.491 ( -7.815 4.343 8.956) 12.655 9.643 ( 3.399 -5.208 1.288) 6.351 9.987 ( -1.910 -9.039 2.155) 9.487 10.350 ( 7.319 -5.911 -7.186) 11.839 10.806 ( -6.182 7.865 -13.279) 16.626 11.081 ( -3.038 10.670 -14.698) 18.415 11.408 ( 12.856 5.634 3.319) 14.424 11.735 ( 4.891 -8.691 -7.063) 12.220 11.829 ( 2.362 -2.273 -10.316) 10.824 12.093 ( 5.430 4.920 -10.641) 12.920 12.430 ( 6.117 13.918 -4.409) 15.829 13.075 ( -1.872 18.019 6.123) 19.123 13.363 ( -2.247 -2.689 4.489) 5.695 13.925 ( 1.774 1.255 -21.379) 21.489 14.273 ( -3.841 -5.118 21.242) 22.185 14.501 ( -8.137 -2.324 -4.293) 9.490 14.645 ( 5.780 -5.026 -0.277) 7.665 15.414 ( -2.324 2.384 1.613) 3.700 16.216 ( 1.790 -11.541 -2.428) 11.928 16.466 ( 1.826 2.833 6.863) 7.646 16.952 ( 1.368 -3.800 5.313) 6.674 17.195 ( -8.735 -16.530 4.254) 19.174 17.823 ( -4.138 5.095 8.475) 10.720 19.601 ( -0.175 5.741 -4.532) 7.316 20.420 ( 7.532 5.060 10.171) 13.630 21.575 ( 4.659 -3.360 -23.821) 24.504 21.948 ( 6.757 3.831 -20.741) 22.148 25.360 ( 6.733 1.791 8.849) 11.262 25.879 ( -15.413 -0.356 -16.697) 22.726 26.954 ( -10.599 6.322 12.134) 17.307 28.001 ( 13.077 -2.311 -13.213) 18.733 29.647 ( -6.016 -2.044 1.702) 6.578 30.105 ( -6.149 -9.299 1.260) 11.219 30.288 ( 3.443 -1.926 20.976) 21.344 30.498 ( 5.317 -0.255 7.360) 9.083 31.074 ( -14.257 -3.505 15.684) 21.484 31.617 ( 1.248 5.544 -7.153) 9.136 31.961 ( -6.388 3.986 5.557) 9.358 33.045 ( 17.341 -1.650 -19.182) 25.911 ======================= Grid point 208 (106/186) ======================= q-point: (-0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 14.189 25.901 -2.475) 29.636 3.873 ( -8.709 8.934 11.712) 17.113 4.035 ( -11.055 27.712 16.458) 34.074 4.510 ( -5.886 0.646 -1.854) 6.205 5.046 ( 0.510 -1.682 -9.781) 9.937 5.314 ( 0.517 -0.943 7.564) 7.640 5.736 ( -2.227 6.121 -0.066) 6.514 6.026 ( -2.714 -0.570 20.429) 20.616 6.324 ( -3.065 0.263 10.034) 10.494 6.396 ( -2.288 -2.330 0.035) 3.266 6.625 ( -1.881 3.737 14.405) 15.000 7.011 ( -6.123 -0.723 28.647) 29.303 7.198 ( -4.658 4.800 6.951) 9.646 7.224 ( 1.567 -4.245 11.074) 11.963 7.558 ( 0.509 -10.720 -3.795) 11.384 7.920 ( -9.849 9.051 15.088) 20.164 8.372 ( 11.054 1.724 1.810) 11.333 8.606 ( -5.911 2.287 1.563) 6.528 8.926 ( -3.113 1.803 -11.963) 12.492 9.132 ( -2.354 -8.305 9.823) 13.077 9.428 ( -1.628 -2.810 10.138) 10.645 9.540 ( -2.798 -8.942 10.721) 14.238 9.697 ( 3.424 3.047 -2.548) 5.244 10.036 ( -5.900 -8.607 1.379) 10.525 10.623 ( -1.215 6.826 -10.160) 12.300 10.688 ( 9.637 -13.291 -7.227) 17.938 10.793 ( -3.420 5.806 -12.708) 14.384 11.445 ( 3.870 5.572 2.323) 7.171 11.754 ( 5.965 3.090 -9.016) 11.243 11.871 ( 11.308 12.599 -7.369) 18.464 12.100 ( 0.886 15.794 -13.638) 20.886 12.170 ( -7.865 -11.026 -6.813) 15.161 12.827 ( -2.451 16.612 9.659) 19.371 13.408 ( 0.931 -6.420 3.611) 7.424 13.852 ( -0.505 0.375 -18.457) 18.468 14.382 ( -3.220 -8.173 2.136) 9.040 14.585 ( -1.057 -14.821 6.309) 16.143 14.856 ( 14.646 -1.663 3.647) 15.185 15.370 ( 1.261 0.541 -4.792) 4.985 16.317 ( 1.783 -1.279 -5.610) 6.024 16.548 ( -1.078 -6.742 14.755) 16.258 17.067 ( 3.432 -3.340 5.971) 7.654 17.352 ( -6.991 -17.224 2.902) 18.814 17.732 ( -2.076 4.179 2.089) 5.113 19.504 ( -5.071 1.249 0.591) 5.255 20.455 ( 3.014 5.966 9.858) 11.911 21.561 ( 5.412 0.589 -23.260) 23.889 21.872 ( 6.032 4.958 -23.559) 24.820 25.463 ( 6.549 1.709 8.598) 10.942 25.647 ( -9.571 0.506 -10.154) 13.962 26.772 ( -9.006 6.498 11.444) 15.947 28.149 ( 8.493 -5.197 -12.722) 16.155 29.614 ( -3.671 -0.601 4.460) 5.808 30.160 ( -5.757 -8.553 -0.395) 10.317 30.411 ( -2.602 -2.952 12.620) 13.219 30.619 ( 9.445 1.736 9.973) 13.845 31.044 ( -11.366 -5.165 16.297) 20.529 31.516 ( 0.119 4.824 -2.770) 5.564 31.827 ( -4.518 6.090 2.629) 8.026 33.184 ( 12.891 -0.745 -20.968) 24.625 ======================= Grid point 209 (107/186) ======================= q-point: (-0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 19.525 26.686 9.689) 34.456 3.461 ( -10.320 27.961 21.602) 36.810 3.826 ( -7.111 2.312 17.715) 19.228 4.360 ( -10.055 1.733 -4.118) 11.003 5.000 ( -2.055 -1.613 -13.658) 13.906 5.299 ( 1.457 13.487 12.393) 18.374 5.618 ( -2.290 1.203 9.593) 9.936 6.133 ( -4.963 -7.721 13.145) 16.032 6.268 ( -9.969 6.142 -6.108) 13.207 6.409 ( 1.515 1.675 3.941) 4.542 6.550 ( -10.139 1.721 32.981) 34.547 6.942 ( 1.709 9.010 10.817) 14.181 7.096 ( -9.301 -3.641 1.261) 10.067 7.451 ( -2.161 -5.773 15.729) 16.893 7.611 ( -6.670 5.054 15.207) 17.357 7.864 ( 6.295 -4.132 2.548) 7.950 8.326 ( -5.576 6.592 2.545) 9.001 8.669 ( 15.616 -1.988 -0.274) 15.745 8.850 ( 0.860 -1.126 -9.109) 9.218 9.250 ( -1.865 -5.761 9.204) 11.017 9.440 ( -8.742 3.293 11.536) 14.844 9.638 ( 5.108 0.482 3.284) 6.092 9.750 ( -3.829 -9.596 -3.466) 10.897 10.003 ( -1.157 1.635 -10.449) 10.639 10.452 ( -1.374 2.530 -4.500) 5.342 10.721 ( -12.347 4.340 0.659) 13.104 10.802 ( 8.998 -2.065 -7.493) 11.890 11.318 ( -1.486 18.860 -4.505) 19.447 11.630 ( 4.342 18.144 -9.159) 20.784 11.854 ( 5.507 -9.104 -7.924) 13.266 11.982 ( 9.451 -0.327 -6.210) 11.314 12.303 ( -2.993 -14.310 -8.663) 16.994 12.642 ( -0.876 8.390 8.789) 12.183 13.586 ( 5.605 -7.271 5.617) 10.762 13.735 ( -6.878 -0.417 -12.984) 14.699 14.493 ( 1.158 -10.836 -9.370) 14.372 14.813 ( -1.213 -12.976 7.703) 15.138 15.033 ( 11.519 4.882 5.400) 13.627 15.407 ( 6.105 -2.525 -11.462) 13.229 16.294 ( 3.886 4.778 -12.553) 13.982 16.659 ( -7.845 -6.595 12.353) 16.051 17.190 ( 0.886 -5.424 12.936) 14.055 17.568 ( -6.745 -21.291 3.263) 22.571 17.669 ( 1.574 2.523 0.909) 3.110 19.433 ( -9.508 -1.636 7.938) 12.493 20.395 ( -4.121 6.293 6.904) 10.210 21.517 ( 7.556 3.631 -22.067) 23.606 21.774 ( 6.555 5.585 -25.463) 26.880 25.478 ( -4.401 2.552 4.412) 6.734 25.623 ( 11.144 -0.375 -2.154) 11.356 26.661 ( -2.278 4.760 13.991) 14.953 28.250 ( 0.111 -7.732 -13.670) 15.705 29.611 ( -0.491 0.725 7.929) 7.977 30.194 ( -5.815 -6.648 -0.644) 8.855 30.409 ( -6.940 -1.973 4.089) 8.293 30.741 ( 5.088 4.357 7.200) 9.834 31.012 ( -3.040 1.447 9.132) 9.732 31.525 ( 0.109 -4.612 8.477) 9.651 31.711 ( -0.976 5.598 2.818) 6.343 33.206 ( 4.891 2.282 -22.118) 22.767 ======================= Grid point 210 (108/186) ======================= q-point: (-0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 20.240 17.786 23.047) 35.456 3.158 ( 2.433 19.398 30.854) 36.526 3.846 ( -0.872 -2.687 15.305) 15.564 4.194 ( -8.681 0.545 -4.258) 9.684 4.963 ( -2.962 -5.517 -10.687) 12.387 5.154 ( 7.219 21.532 26.663) 35.024 5.670 ( -3.328 -3.057 4.649) 6.483 5.966 ( -12.459 3.125 -7.188) 14.719 6.180 ( -8.199 0.296 15.847) 17.845 6.387 ( -4.281 1.039 10.188) 11.100 6.518 ( -4.193 7.632 13.020) 15.663 6.839 ( -4.143 -0.029 1.621) 4.449 7.078 ( -5.741 4.917 22.449) 23.687 7.463 ( -9.752 -2.304 9.984) 14.145 7.570 ( 6.283 3.231 7.525) 10.322 8.017 ( -2.447 -9.189 -5.110) 10.796 8.259 ( 0.391 0.248 13.001) 13.009 8.859 ( 1.209 -4.292 -2.143) 4.947 8.931 ( 15.882 4.971 -6.338) 17.807 9.223 ( -7.012 7.000 6.866) 12.054 9.371 ( -1.800 2.005 3.188) 4.174 9.508 ( -1.377 4.265 -11.081) 11.953 9.777 ( -3.835 -5.590 -4.819) 8.317 10.150 ( 8.777 -9.699 -1.947) 13.225 10.266 ( -14.785 9.428 2.482) 17.710 10.599 ( -0.061 -5.706 -0.173) 5.709 10.923 ( 2.735 11.141 -2.652) 11.774 10.960 ( 3.712 6.650 -6.726) 10.160 11.461 ( 7.439 11.752 -14.027) 19.754 11.923 ( 7.917 2.412 -16.124) 18.124 12.118 ( -1.721 -2.992 7.908) 8.628 12.438 ( -2.389 -12.772 -2.833) 13.299 12.730 ( 10.066 -7.453 6.732) 14.220 13.574 ( -11.935 -0.946 -9.018) 14.989 13.775 ( 5.281 -3.614 8.491) 10.632 14.627 ( 1.853 -11.643 -16.972) 20.665 14.986 ( -2.048 -9.233 6.772) 11.632 15.099 ( 9.666 5.987 3.649) 11.941 15.444 ( 1.840 -1.980 -15.456) 15.690 16.145 ( 2.339 12.008 -18.499) 22.178 16.640 ( -12.769 -4.635 8.111) 15.821 17.338 ( -3.705 -6.268 9.313) 11.822 17.564 ( -2.603 1.022 6.336) 6.926 17.940 ( -3.675 -23.148 8.697) 24.999 19.352 ( -12.469 -0.740 15.983) 20.284 20.247 ( -6.006 5.673 2.846) 8.738 21.493 ( 10.106 3.246 -19.330) 22.053 21.678 ( 8.861 6.211 -26.396) 28.528 25.391 ( -6.684 2.082 5.164) 8.699 25.852 ( 23.158 -1.384 -5.371) 23.813 26.702 ( 5.245 1.937 18.053) 18.900 28.247 ( -9.200 -8.430 -16.336) 20.556 29.650 ( 2.166 1.118 11.812) 12.060 30.186 ( -6.308 -3.258 -0.054) 7.100 30.342 ( -9.368 -1.504 1.310) 9.578 30.609 ( -4.475 10.159 -2.222) 11.321 31.107 ( 9.756 -0.414 9.248) 13.449 31.606 ( 2.130 1.213 -2.564) 3.547 31.743 ( 0.867 -6.568 16.951) 18.199 33.053 ( -4.895 6.446 -18.977) 20.631 ======================= Grid point 213 (109/186) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 11.832 0.000 4.399) 12.624 3.693 ( 1.460 0.000 13.214) 13.294 4.202 ( 6.077 0.000 2.349) 6.515 5.132 ( 11.090 0.000 13.426) 17.414 5.136 ( 14.747 0.000 11.453) 18.672 5.349 ( 1.718 0.000 9.070) 9.231 5.697 ( 1.678 0.000 -25.209) 25.265 5.976 ( -0.666 -0.000 26.413) 26.421 6.235 ( 1.215 0.000 3.138) 3.365 6.257 ( -2.995 -0.000 30.719) 30.865 6.667 ( -13.625 -0.000 16.558) 21.443 6.938 ( -0.491 -0.000 -4.525) 4.551 6.971 ( -0.013 -0.000 36.970) 36.970 7.368 ( 8.531 0.000 4.474) 9.633 7.441 ( -11.789 -0.000 -6.454) 13.439 8.043 ( -6.953 -0.000 0.825) 7.002 8.303 ( 11.253 0.000 -7.508) 13.528 8.345 ( 1.644 0.000 -16.761) 16.842 8.592 ( -8.837 -0.000 18.046) 20.094 8.847 ( -3.223 -0.000 1.060) 3.393 9.265 ( -3.917 -0.000 -6.708) 7.768 9.340 ( 4.363 0.000 -3.472) 5.576 9.720 ( -12.152 -0.000 11.732) 16.891 9.774 ( 1.963 0.000 -2.316) 3.036 10.675 ( -2.531 -0.000 -13.868) 14.097 10.937 ( 4.916 0.000 -10.107) 11.239 11.254 ( 24.060 0.000 -0.104) 24.060 11.296 ( 3.261 0.000 -13.271) 13.666 11.566 ( 10.637 0.000 1.291) 10.715 11.994 ( -23.830 -0.000 -7.900) 25.106 12.232 ( 8.898 0.000 4.044) 9.774 12.382 ( 17.053 0.000 -10.908) 20.243 13.169 ( -1.107 -0.000 8.609) 8.680 13.415 ( -1.773 -0.000 12.183) 12.312 14.061 ( 5.390 0.000 10.193) 11.530 14.228 ( -6.638 -0.000 -32.635) 33.303 14.651 ( -13.023 -0.000 -7.996) 15.282 15.202 ( -4.055 -0.000 11.734) 12.415 15.384 ( -4.446 -0.000 16.936) 17.510 15.683 ( 2.338 0.000 -8.536) 8.850 16.559 ( 11.801 0.000 -11.430) 16.429 16.696 ( -11.986 -0.000 10.646) 16.031 17.026 ( -28.296 -0.000 16.409) 32.710 17.933 ( -5.790 -0.000 15.012) 16.090 19.856 ( 8.400 0.000 -10.891) 13.754 20.397 ( 10.356 0.000 7.687) 12.897 21.412 ( 3.946 0.000 -26.145) 26.441 22.001 ( 10.901 0.000 -14.471) 18.117 25.292 ( 4.179 0.000 8.375) 9.360 26.144 ( -13.341 -0.000 -21.846) 25.597 27.178 ( -7.238 -0.000 16.249) 17.789 27.885 ( 10.968 0.000 -17.208) 20.407 29.646 ( -7.130 -0.000 -2.420) 7.529 29.870 ( -7.376 -0.000 5.300) 9.082 30.164 ( 4.222 0.000 20.871) 21.293 30.395 ( 1.857 0.000 5.900) 6.186 31.233 ( -18.469 -0.000 16.331) 24.653 31.662 ( 4.329 0.000 -6.746) 8.016 32.097 ( -1.200 -0.000 5.781) 5.905 32.831 ( 17.007 0.000 -15.409) 22.950 ======================= Grid point 214 (110/186) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 3.500 10.556 4.894) 12.150 3.985 ( 6.992 -14.060 10.128) 18.686 4.248 ( 4.156 4.098 1.235) 5.966 5.147 ( -0.301 12.094 11.431) 16.644 5.280 ( -0.441 11.735 5.971) 13.174 5.356 ( 9.655 0.490 2.470) 9.978 5.701 ( 8.688 0.428 -10.202) 13.407 6.169 ( 0.621 -10.608 9.787) 14.446 6.236 ( -6.348 3.656 18.260) 19.674 6.426 ( 4.334 -5.540 25.462) 26.416 6.518 ( -14.168 -1.289 15.745) 21.220 6.746 ( -1.100 14.040 2.318) 14.272 7.063 ( -11.529 -3.882 18.411) 22.067 7.343 ( -9.158 -5.381 1.560) 10.736 7.441 ( 2.282 4.632 9.191) 10.542 8.173 ( 12.002 -3.526 -2.527) 12.762 8.300 ( 3.430 -5.535 -16.906) 18.117 8.475 ( -2.276 -8.522 3.724) 9.575 8.557 ( -4.329 -4.826 3.158) 7.211 8.934 ( 6.927 -7.485 5.891) 11.778 9.224 ( 5.227 5.510 -3.531) 8.375 9.395 ( 2.567 -2.796 1.539) 4.096 9.600 ( -13.126 0.693 14.685) 19.709 9.776 ( 1.926 -0.926 -3.635) 4.217 10.546 ( 0.494 7.323 -9.518) 12.019 11.058 ( 4.126 -10.397 -13.982) 17.906 11.192 ( -10.030 7.831 -10.350) 16.402 11.445 ( 3.012 7.935 -3.712) 9.263 11.550 ( 16.491 2.809 -2.961) 16.988 11.793 ( -8.472 -5.285 -6.627) 11.984 12.337 ( 11.947 6.879 -0.447) 13.794 12.612 ( 15.666 -2.509 -6.257) 17.055 13.187 ( -3.913 -3.713 5.982) 8.054 13.401 ( -4.856 2.393 11.585) 12.787 13.993 ( -1.629 3.077 -25.262) 25.501 14.234 ( 2.885 -5.197 6.284) 8.650 14.428 ( -12.262 2.590 -2.705) 12.821 14.990 ( 0.257 24.519 15.335) 28.921 15.436 ( -3.435 -1.870 12.780) 13.365 15.837 ( 4.811 -13.424 -5.981) 15.464 16.592 ( 2.207 3.655 4.270) 6.039 16.720 ( -7.347 -10.555 1.070) 12.905 16.813 ( -12.511 -6.448 8.735) 16.565 17.883 ( -9.926 0.177 12.212) 15.739 19.815 ( 3.243 6.484 -18.997) 20.333 20.558 ( 9.957 3.140 12.474) 16.266 21.385 ( 2.290 -6.135 -27.866) 28.625 22.053 ( 8.600 2.215 -15.167) 17.576 25.394 ( 5.462 0.540 9.839) 11.266 25.877 ( -12.979 0.117 -17.847) 22.067 27.091 ( -11.405 2.627 12.671) 17.249 27.965 ( 11.260 -0.469 -17.046) 20.435 29.566 ( -5.989 -1.887 -1.166) 6.386 29.833 ( -8.016 -6.392 3.118) 10.716 30.318 ( 5.985 1.326 23.386) 24.176 30.486 ( 6.176 -0.375 10.332) 12.042 31.047 ( -17.834 0.744 16.643) 24.405 31.687 ( 2.370 -0.240 -6.923) 7.322 32.074 ( -1.830 3.081 3.704) 5.153 32.989 ( 15.426 -1.412 -18.123) 23.841 ======================= Grid point 215 (111/186) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 5.669 11.153 3.336) 12.949 4.167 ( -1.163 7.673 6.105) 9.875 4.309 ( 2.416 -10.897 4.271) 11.951 4.871 ( -7.552 20.875 0.685) 22.209 5.135 ( 2.151 9.366 1.694) 9.758 5.386 ( -1.230 6.962 4.272) 8.260 5.750 ( 4.243 2.252 -0.272) 4.811 6.099 ( -14.625 1.064 20.473) 25.182 6.269 ( -1.769 -2.281 -7.235) 7.790 6.469 ( -1.677 3.766 6.618) 7.797 6.638 ( 3.969 -0.159 12.016) 12.655 6.781 ( 5.183 -7.538 36.316) 37.450 7.093 ( -5.714 -10.664 9.833) 15.590 7.254 ( -9.635 0.340 1.789) 9.806 7.472 ( -0.446 1.673 15.883) 15.977 8.210 ( -1.097 2.635 -9.464) 9.885 8.328 ( 3.806 2.676 9.272) 10.374 8.543 ( -4.476 -5.854 5.498) 9.194 8.766 ( 7.186 -15.497 -15.462) 23.041 9.144 ( 2.284 10.464 1.330) 10.793 9.185 ( 2.366 -9.976 8.023) 13.019 9.478 ( -9.480 2.780 14.845) 17.832 9.563 ( 6.704 -9.060 5.504) 12.543 9.902 ( 4.264 -8.956 -1.381) 10.015 10.414 ( 3.219 9.013 -4.997) 10.797 10.783 ( -8.818 9.215 -10.179) 16.318 11.112 ( -1.000 4.519 -16.354) 16.997 11.488 ( -1.603 -12.470 -12.936) 18.039 11.660 ( 10.282 -0.441 -10.883) 14.978 11.793 ( 2.181 0.497 1.936) 2.958 12.355 ( 12.359 11.341 -1.221) 16.818 12.663 ( 2.897 12.745 -6.145) 14.442 13.196 ( -1.728 -2.356 -0.828) 3.037 13.340 ( -6.678 3.793 11.048) 13.455 13.904 ( 5.713 1.863 -17.830) 18.815 14.223 ( -11.305 -2.985 -3.606) 12.236 14.313 ( -4.092 2.736 16.291) 17.018 14.864 ( 13.246 7.876 10.621) 18.716 15.423 ( -2.516 2.548 3.401) 4.939 16.064 ( 2.782 -12.319 -0.380) 12.635 16.547 ( -2.877 3.348 9.163) 10.170 16.840 ( -10.767 -19.397 13.689) 26.068 16.917 ( 7.070 -6.125 -9.746) 13.508 17.781 ( -11.903 -0.555 9.276) 15.101 19.637 ( -1.244 7.585 -18.110) 19.674 20.651 ( 5.942 6.123 11.995) 14.720 21.407 ( 1.838 -8.787 -27.853) 29.264 22.038 ( 7.603 4.864 -17.330) 19.539 25.490 ( 3.477 0.333 9.521) 10.141 25.674 ( -6.109 1.130 -12.086) 13.589 26.934 ( -11.018 4.200 10.701) 15.924 28.047 ( 8.357 -2.156 -16.209) 18.363 29.534 ( -4.426 -3.387 0.736) 5.622 29.859 ( -7.681 -9.825 0.672) 12.489 30.461 ( 4.956 3.643 23.180) 23.982 30.634 ( 7.227 -0.063 11.601) 13.668 30.919 ( -12.419 -2.478 18.896) 22.747 31.658 ( 0.423 2.899 -7.033) 7.618 31.994 ( -2.753 5.225 2.640) 6.469 33.117 ( 11.503 -2.734 -21.189) 24.265 ======================= Grid point 216 (112/186) ======================= q-point: (-0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 11.697 11.407 2.265) 16.495 3.990 ( -5.749 13.136 8.235) 16.536 4.366 ( -3.449 14.095 6.688) 15.978 4.439 ( -9.671 14.203 0.565) 17.192 5.056 ( 1.477 5.074 -4.963) 7.249 5.269 ( -6.810 -1.904 2.691) 7.566 5.714 ( -6.146 0.904 -0.918) 6.280 6.051 ( -4.468 1.232 21.057) 21.561 6.226 ( -4.718 -2.929 -0.977) 5.639 6.438 ( 2.412 1.909 -0.197) 3.082 6.719 ( -4.084 2.145 20.554) 21.065 6.990 ( -7.100 1.768 10.612) 12.890 7.182 ( -2.480 -8.250 11.918) 14.705 7.308 ( 4.171 -1.763 22.761) 23.207 7.508 ( 3.586 -2.206 8.501) 9.486 8.068 ( 1.124 11.329 4.378) 12.198 8.491 ( -1.676 -4.558 7.092) 8.595 8.561 ( 0.871 -6.591 9.918) 11.940 8.866 ( 2.010 1.959 -15.091) 15.350 9.073 ( -0.608 1.966 6.106) 6.443 9.338 ( -6.125 -10.828 5.027) 13.418 9.460 ( 1.972 -2.017 12.647) 12.958 9.735 ( -3.401 6.508 -0.927) 7.401 9.893 ( -2.056 -4.633 4.993) 7.115 10.559 ( 11.044 -15.702 -7.173) 20.493 10.680 ( 4.747 2.113 -8.176) 9.687 10.871 ( -0.353 13.423 -14.959) 20.102 11.517 ( -2.405 -4.221 -11.750) 12.715 11.769 ( 4.309 2.711 -0.036) 5.091 11.841 ( 0.407 -12.987 -15.387) 20.139 12.263 ( -7.069 20.752 -3.943) 22.275 12.361 ( 13.947 18.565 -8.342) 24.673 13.053 ( -10.142 18.555 10.605) 23.657 13.347 ( 5.842 -7.916 0.182) 9.840 13.803 ( -5.613 5.262 -5.384) 9.391 14.192 ( -0.388 -9.084 -9.951) 13.480 14.428 ( 0.074 -10.511 13.255) 16.917 15.082 ( 15.769 -0.479 8.426) 17.885 15.369 ( 0.404 0.750 -3.374) 3.480 16.248 ( 0.338 -8.470 2.515) 8.842 16.541 ( -1.414 -0.251 11.613) 11.702 17.010 ( -6.807 -10.362 8.626) 15.104 17.053 ( 1.632 -11.152 -8.720) 14.251 17.695 ( -7.912 -2.216 6.075) 10.219 19.447 ( -5.127 3.838 -9.890) 11.783 20.626 ( -0.515 8.444 9.175) 12.480 21.448 ( 3.074 -7.592 -26.098) 27.353 21.975 ( 7.950 6.784 -20.001) 22.567 25.523 ( -4.522 0.450 5.811) 7.377 25.626 ( 8.851 0.845 -5.032) 10.217 26.800 ( -5.963 4.281 11.549) 13.684 28.095 ( 2.369 -3.328 -15.696) 16.219 29.556 ( -1.489 -3.853 3.343) 5.314 29.912 ( -7.125 -10.771 -0.980) 12.952 30.493 ( -0.887 6.600 15.432) 16.808 30.750 ( -1.057 -2.667 15.465) 15.729 30.988 ( 3.590 -1.899 18.949) 19.380 31.570 ( -0.735 4.621 -3.782) 6.016 31.884 ( -2.222 5.936 1.719) 6.568 33.181 ( 5.622 -2.919 -24.217) 25.032 ======================= Grid point 217 (113/186) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 19.735 15.296 1.042) 24.990 3.727 ( -7.226 15.635 12.586) 21.332 4.005 ( -2.995 21.019 15.815) 26.474 4.214 ( -13.123 4.430 0.934) 13.882 4.968 ( 1.381 4.651 -8.357) 9.663 5.315 ( -2.614 -9.258 0.417) 9.629 5.620 ( -5.096 -1.028 0.381) 5.212 6.055 ( -7.002 1.032 9.558) 11.893 6.189 ( -4.825 1.340 -0.338) 5.019 6.443 ( -2.392 0.900 0.481) 2.600 6.593 ( -12.151 5.300 37.280) 39.566 7.003 ( 2.805 -2.912 -0.164) 4.046 7.198 ( -1.309 7.595 9.581) 12.296 7.362 ( -5.516 0.415 20.099) 20.847 7.717 ( 0.345 -2.167 18.574) 18.703 8.012 ( 8.319 9.933 8.571) 15.535 8.380 ( -4.029 5.635 9.900) 12.083 8.762 ( -0.332 1.070 -11.835) 11.888 8.913 ( 16.241 -8.021 8.024) 19.811 9.094 ( -5.681 -8.137 6.942) 12.111 9.429 ( -9.287 -14.617 -2.927) 17.563 9.447 ( -9.522 8.119 5.231) 13.563 9.658 ( 3.231 -6.802 8.140) 11.089 9.994 ( 2.788 1.779 -4.216) 5.358 10.539 ( 0.609 12.242 -7.496) 14.367 10.676 ( -4.288 4.390 -7.859) 9.971 10.879 ( 12.048 -3.792 -6.785) 14.338 11.527 ( 2.402 1.058 -2.981) 3.972 11.745 ( -4.358 13.992 -19.428) 24.335 11.815 ( 4.754 0.104 0.622) 4.796 11.995 ( -4.141 -13.436 -13.503) 19.494 12.278 ( 13.136 17.591 -5.128) 22.546 12.745 ( -6.620 8.360 8.659) 13.736 13.529 ( 0.259 -4.040 -6.788) 7.903 13.668 ( -0.978 -1.027 5.006) 5.203 14.315 ( 3.939 -9.776 -15.038) 18.363 14.632 ( -3.733 -12.181 12.127) 17.589 15.228 ( 3.524 2.021 5.190) 6.591 15.436 ( 9.532 -0.587 -6.355) 11.471 16.330 ( 1.601 -1.098 -2.851) 3.450 16.545 ( -6.790 0.145 5.517) 8.750 17.092 ( -6.137 -9.598 10.953) 15.803 17.221 ( -3.266 -17.111 1.892) 17.522 17.679 ( -1.335 -0.889 -0.245) 1.623 19.323 ( -7.702 -0.326 3.906) 8.642 20.478 ( -5.555 9.546 5.399) 12.294 21.487 ( 5.400 -4.426 -23.369) 24.389 21.895 ( 9.561 7.599 -22.105) 25.254 25.442 ( -8.275 1.119 4.030) 9.272 25.808 ( 20.242 -1.185 -4.344) 20.737 26.770 ( 0.869 2.429 14.571) 14.798 28.063 ( -5.189 -3.860 -15.814) 17.085 29.632 ( 1.583 -3.024 7.428) 8.175 29.967 ( -6.832 -9.864 -1.583) 12.103 30.422 ( -2.852 6.093 9.989) 12.043 30.776 ( -7.937 0.575 12.060) 14.449 31.145 ( 9.120 2.312 11.933) 15.196 31.521 ( -0.602 0.046 5.180) 5.215 31.807 ( 2.146 4.559 2.851) 5.789 33.132 ( -1.615 -0.794 -25.687) 25.750 ======================= Grid point 218 (114/186) ======================= q-point: (-0.12 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 9.064 18.179 14.574) 25.001 3.553 ( 13.921 17.995 10.275) 24.964 3.881 ( -7.476 -3.085 6.480) 10.364 4.046 ( -3.729 1.026 10.527) 11.215 4.915 ( 3.812 2.474 -6.405) 7.853 5.441 ( 4.398 -6.036 0.164) 7.470 5.597 ( -5.266 1.759 4.166) 6.942 5.820 ( -10.918 4.045 -4.069) 12.333 6.170 ( -1.942 0.288 13.155) 13.301 6.394 ( -5.664 1.695 16.334) 17.371 6.616 ( -4.500 -1.282 19.078) 19.643 6.916 ( -4.914 15.039 11.141) 19.351 7.182 ( 2.080 2.446 6.686) 7.417 7.374 ( -5.696 -2.347 16.632) 17.736 7.692 ( -9.159 1.487 12.369) 15.463 7.965 ( 5.939 10.385 3.769) 12.543 8.388 ( 3.769 3.526 15.727) 16.552 8.772 ( -0.481 -4.232 -5.075) 6.626 9.091 ( 3.452 -0.383 -4.804) 5.928 9.183 ( -14.995 -0.835 5.975) 16.163 9.381 ( 9.701 -7.581 10.240) 16.014 9.496 ( -5.342 -5.290 -5.248) 9.168 9.646 ( -2.542 10.709 -10.935) 15.515 10.037 ( 4.341 -11.938 -0.802) 12.728 10.268 ( -11.149 12.311 -1.199) 16.652 10.605 ( 6.542 1.386 1.729) 6.907 11.027 ( 7.747 -1.689 -8.785) 11.835 11.257 ( 4.092 24.798 -4.597) 25.550 11.599 ( 5.592 5.895 -19.516) 21.140 11.968 ( 2.623 -6.352 1.080) 6.956 12.122 ( -6.725 -18.983 -4.229) 20.578 12.188 ( 7.899 8.039 -9.233) 14.569 12.767 ( 7.099 -5.469 6.338) 10.976 13.405 ( -8.680 1.337 -6.694) 11.042 13.830 ( 5.843 -3.943 8.552) 11.083 14.424 ( 1.543 -9.204 -17.898) 20.184 14.786 ( -6.704 -12.576 9.637) 17.204 15.226 ( -2.059 1.009 -0.526) 2.352 15.458 ( 3.874 5.820 -6.849) 9.787 16.256 ( 2.509 9.370 -16.166) 18.853 16.457 ( -10.962 -2.993 7.909) 13.845 17.165 ( -11.437 -7.833 11.436) 17.971 17.512 ( 1.380 -15.667 16.261) 22.623 17.664 ( -3.785 -3.922 -6.053) 8.146 19.293 ( -4.892 -1.882 16.850) 17.647 20.291 ( -4.095 7.402 0.708) 8.489 21.525 ( 7.696 -1.516 -20.793) 22.223 21.831 ( 11.805 7.293 -22.668) 26.578 25.325 ( -8.884 0.776 3.478) 9.573 26.115 ( 24.455 -2.184 -9.247) 26.236 26.865 ( 5.018 -0.184 17.114) 17.836 27.951 ( -9.856 -4.438 -15.814) 19.155 29.738 ( 3.114 -1.198 12.614) 13.048 29.994 ( -7.503 -7.222 -1.688) 10.550 30.322 ( -4.223 6.730 6.888) 10.515 30.636 ( -8.417 5.727 2.657) 10.522 31.251 ( 4.464 1.205 9.074) 10.184 31.582 ( -0.073 -4.755 5.493) 7.265 31.854 ( 8.532 2.813 8.877) 12.630 32.952 ( -6.742 2.914 -23.303) 24.432 ======================= Grid point 222 (115/186) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( -2.136 -0.000 11.949) 12.138 3.950 ( 5.954 0.000 6.295) 8.665 4.319 ( 1.490 0.000 -0.222) 1.506 5.258 ( -5.756 -0.000 4.319) 7.196 5.261 ( -7.582 -0.000 10.062) 12.599 5.505 ( -1.410 -0.000 1.986) 2.436 5.819 ( 16.694 0.000 -14.957) 22.414 6.126 ( -11.068 -0.000 8.285) 13.825 6.241 ( -5.050 -0.000 21.183) 21.777 6.435 ( 9.784 0.000 7.119) 12.100 6.620 ( 0.598 0.000 48.622) 48.625 6.862 ( -17.350 -0.000 14.238) 22.444 6.924 ( 2.524 0.000 -3.013) 3.931 7.124 ( -11.661 -0.000 -2.188) 11.865 7.590 ( 5.582 0.000 10.303) 11.718 8.113 ( -1.363 -0.000 -18.219) 18.270 8.390 ( -1.070 -0.000 -11.679) 11.727 8.398 ( 8.296 0.000 8.489) 11.870 8.500 ( 3.462 0.000 4.955) 6.045 8.982 ( 6.477 0.000 1.072) 6.565 9.391 ( 13.378 0.000 0.699) 13.396 9.465 ( 4.284 0.000 1.291) 4.474 9.498 ( -9.922 -0.000 19.148) 21.566 9.768 ( 1.127 0.000 -5.154) 5.276 10.610 ( 5.289 0.000 -7.181) 8.919 10.953 ( 4.289 0.000 -13.612) 14.272 11.060 ( -14.198 -0.000 -7.516) 16.065 11.469 ( -2.927 -0.000 -17.309) 17.555 11.580 ( -8.202 -0.000 1.213) 8.291 11.790 ( 12.894 0.000 -3.981) 13.495 12.585 ( 10.279 0.000 4.875) 11.377 12.755 ( 16.251 0.000 -4.368) 16.828 13.077 ( -10.839 -0.000 3.175) 11.294 13.387 ( -6.479 -0.000 13.574) 15.041 13.924 ( 6.606 0.000 -24.925) 25.786 14.148 ( -7.516 -0.000 -7.572) 10.668 14.435 ( 2.259 0.000 15.109) 15.277 15.355 ( -8.192 -0.000 16.419) 18.349 15.428 ( 9.538 0.000 15.279) 18.012 15.769 ( 8.818 0.000 -7.205) 11.387 16.387 ( -22.615 -0.000 14.536) 26.883 16.632 ( -7.762 -0.000 14.762) 16.678 16.798 ( 13.503 0.000 -16.740) 21.507 17.762 ( -15.023 -0.000 10.129) 18.119 19.798 ( 0.613 0.000 -24.491) 24.499 20.749 ( 6.546 0.000 12.704) 14.291 21.231 ( 1.283 0.000 -31.337) 31.363 22.112 ( 7.006 0.000 -14.077) 15.724 25.493 ( 1.976 0.000 10.027) 10.220 25.694 ( -4.383 -0.000 -13.286) 13.990 26.998 ( -12.054 -0.000 10.680) 16.105 28.016 ( 8.289 0.000 -17.799) 19.634 29.481 ( -3.941 -0.000 -1.224) 4.127 29.696 ( -7.444 -0.000 3.047) 8.043 30.517 ( 7.031 0.000 24.114) 25.118 30.639 ( 8.731 0.000 15.393) 17.697 30.890 ( -16.759 -0.000 17.557) 24.271 31.687 ( 1.172 0.000 -4.764) 4.906 32.084 ( -0.988 -0.000 -1.958) 2.194 33.071 ( 10.422 0.000 -19.577) 22.178 ======================= Grid point 223 (116/186) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -0.988 7.106 10.176) 12.451 4.129 ( -1.514 -9.482 8.877) 13.077 4.289 ( -1.176 2.639 -0.743) 2.983 5.005 ( -8.556 14.107 4.058) 16.991 5.269 ( -4.161 1.209 4.689) 6.385 5.346 ( -14.752 2.287 -4.484) 15.587 5.899 ( -10.559 12.859 14.060) 21.783 6.004 ( 9.660 -4.071 -4.127) 11.266 6.315 ( 1.982 1.982 9.594) 9.995 6.516 ( -1.717 5.121 9.211) 10.678 6.712 ( -6.522 1.907 10.850) 12.802 6.931 ( 2.157 -9.127 5.567) 10.906 6.954 ( 8.129 -3.564 37.460) 38.497 7.063 ( -10.219 -6.443 5.201) 13.152 7.626 ( 2.834 7.213 10.712) 13.222 8.122 ( 0.157 -8.301 -11.620) 14.281 8.345 ( -2.758 -0.528 -0.558) 2.863 8.418 ( -6.076 -4.392 9.176) 11.850 8.728 ( 18.705 -5.592 -13.669) 23.832 9.081 ( 0.055 -5.498 -4.963) 7.407 9.332 ( -4.970 6.554 10.026) 12.968 9.454 ( -6.373 2.535 7.396) 10.087 9.717 ( 19.981 -0.305 10.482) 22.566 9.809 ( 1.316 -6.315 -2.308) 6.851 10.624 ( 8.237 8.447 -1.811) 11.936 10.780 ( -6.385 10.699 -4.697) 13.315 11.014 ( 1.641 -6.508 -16.796) 18.087 11.339 ( -2.055 2.133 -11.040) 11.430 11.555 ( -1.932 -8.289 -11.089) 13.979 11.844 ( -2.360 -0.870 -8.454) 8.820 12.627 ( 3.026 7.014 7.684) 10.835 12.835 ( 1.758 9.637 -8.233) 12.796 13.088 ( 3.441 -9.600 7.849) 12.869 13.345 ( -5.792 2.874 12.334) 13.926 13.977 ( 12.899 0.237 -16.893) 21.256 14.058 ( -1.394 -0.868 -10.758) 10.883 14.459 ( -3.514 9.374 18.789) 21.290 15.186 ( 0.284 11.036 13.630) 17.540 15.481 ( -0.862 6.426 2.794) 7.060 15.938 ( 4.113 -9.014 -1.102) 9.969 16.434 ( -5.745 -19.231 17.930) 26.914 16.617 ( -4.620 -1.182 16.448) 17.126 16.902 ( 9.023 -2.639 -19.030) 21.225 17.599 ( -16.896 -2.527 9.257) 19.431 19.638 ( -1.257 6.524 -23.422) 24.346 20.820 ( 0.811 3.928 10.520) 11.258 21.178 ( 2.305 -7.817 -32.303) 33.316 22.118 ( 5.970 2.626 -14.528) 15.924 25.518 ( -4.569 -0.337 7.749) 9.002 25.660 ( 7.620 0.944 -8.563) 11.501 26.888 ( -8.663 1.610 10.721) 13.878 28.034 ( 4.316 -0.997 -17.349) 17.905 29.458 ( -1.195 -1.969 0.394) 2.337 29.656 ( -6.284 -5.386 1.438) 8.400 30.677 ( -3.467 -1.442 17.690) 18.084 30.717 ( 0.488 7.636 20.768) 22.133 30.901 ( 5.638 -4.566 21.459) 22.652 31.665 ( -0.398 1.489 -3.921) 4.213 32.030 ( -1.542 3.238 -3.953) 5.338 33.098 ( 4.638 -1.921 -22.226) 22.786 ======================= Grid point 224 (117/186) ======================= q-point: (-0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -2.649 3.178 9.843) 10.677 4.071 ( -6.846 7.922 0.600) 10.488 4.344 ( -1.684 -4.088 8.570) 9.643 4.703 ( -2.277 16.894 -2.057) 17.171 5.082 ( -19.064 -1.404 0.057) 19.116 5.185 ( 0.418 7.745 2.555) 8.166 5.623 ( -13.161 7.420 7.161) 16.720 6.126 ( 4.684 0.463 0.408) 4.724 6.276 ( 1.621 8.706 6.129) 10.770 6.456 ( -1.106 2.829 0.497) 3.078 6.708 ( -11.630 -4.317 27.879) 30.514 6.975 ( -6.089 -0.037 9.805) 11.542 7.058 ( -1.215 -5.951 2.599) 6.607 7.431 ( 11.440 -11.065 32.193) 35.912 7.592 ( -0.553 5.421 9.942) 11.338 8.196 ( 3.691 -2.736 -6.242) 7.751 8.363 ( -4.477 -7.193 12.024) 14.709 8.485 ( 1.003 -5.039 6.066) 7.949 8.925 ( 8.055 4.798 -16.448) 18.933 9.019 ( -4.960 -6.238 -7.748) 11.115 9.268 ( -3.349 4.193 6.754) 8.626 9.425 ( -5.732 -7.896 13.229) 16.438 9.808 ( -4.930 4.875 0.179) 6.936 10.026 ( 20.304 5.497 12.341) 24.388 10.541 ( 5.570 2.972 -1.349) 6.456 10.731 ( 6.031 -0.188 -9.360) 11.137 10.987 ( 4.902 4.717 -14.798) 16.287 11.274 ( -7.718 -7.302 -10.033) 14.613 11.664 ( 6.297 -8.951 -15.527) 18.996 11.721 ( -10.786 -3.561 -14.152) 18.146 12.464 ( -3.503 18.088 2.176) 18.552 12.724 ( 7.298 8.798 -3.850) 12.062 13.139 ( -11.589 10.133 11.931) 19.477 13.374 ( 9.949 -4.009 4.017) 11.454 13.843 ( -10.561 16.080 2.429) 19.391 14.088 ( 7.178 -4.599 -11.417) 14.249 14.408 ( 3.419 -1.410 5.687) 6.784 15.260 ( 3.535 -1.189 10.095) 10.762 15.391 ( 3.388 1.007 -0.939) 3.657 16.131 ( 1.839 -9.728 5.679) 11.413 16.597 ( 1.737 1.745 9.684) 9.992 16.769 ( -6.088 -14.029 19.529) 24.804 16.921 ( -0.201 -4.088 -20.586) 20.989 17.536 ( -8.401 -7.997 9.374) 14.913 19.419 ( -2.711 7.198 -15.757) 17.534 20.744 ( -4.933 7.624 7.739) 11.931 21.238 ( 4.865 -11.319 -30.348) 32.753 22.079 ( 6.114 4.604 -15.988) 17.725 25.449 ( -9.978 -0.452 4.441) 10.931 25.799 ( 19.027 0.458 -5.631) 19.848 26.828 ( -4.052 1.406 12.370) 13.092 28.001 ( -1.157 -0.908 -16.696) 16.760 29.513 ( 1.816 -3.844 3.029) 5.220 29.688 ( -4.666 -8.288 -0.396) 9.519 30.585 ( -9.250 2.272 13.470) 16.497 30.797 ( 1.744 4.757 23.800) 24.333 31.162 ( 11.028 -2.200 19.253) 22.296 31.601 ( -1.456 3.453 -2.072) 4.282 31.934 ( -1.603 4.032 -2.797) 5.162 33.059 ( -1.297 -3.191 -25.319) 25.552 ======================= Grid point 225 (118/186) ======================= q-point: (-0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -11.655 -4.171 1.817) 12.511 3.871 ( -2.317 10.111 4.831) 11.443 4.262 ( -2.636 13.490 9.234) 16.559 4.436 ( 2.239 20.707 2.804) 21.015 4.991 ( -7.658 -7.136 2.584) 10.782 5.128 ( 0.828 -0.481 1.456) 1.743 5.463 ( -8.274 -4.584 -1.024) 9.514 6.076 ( -4.123 6.124 -4.760) 8.784 6.218 ( 0.301 5.009 10.144) 11.318 6.419 ( -1.161 1.626 6.711) 7.002 6.686 ( -10.245 4.560 35.916) 37.626 6.995 ( -1.752 -4.253 3.288) 5.654 7.124 ( -2.168 -5.324 0.231) 5.753 7.510 ( -3.614 7.273 14.166) 16.329 7.713 ( -6.025 -1.267 24.230) 25.000 8.315 ( 11.772 0.425 4.986) 12.791 8.455 ( 1.888 -1.948 9.594) 9.970 8.677 ( -1.121 -9.564 6.875) 11.832 8.773 ( -5.515 -2.759 1.429) 6.330 9.118 ( -0.125 -9.410 -9.131) 13.112 9.188 ( 0.067 2.047 -2.705) 3.393 9.432 ( -9.759 8.517 7.538) 14.986 9.694 ( 3.118 -0.695 10.342) 10.824 10.193 ( 13.581 9.880 6.768) 18.107 10.552 ( -5.142 2.220 -14.505) 15.549 10.751 ( 7.269 3.811 -8.437) 11.771 10.983 ( 10.685 2.790 -5.561) 12.365 11.305 ( -4.148 -17.088 -11.280) 20.891 11.612 ( -10.291 -10.730 -17.265) 22.784 11.822 ( 10.955 -4.225 -13.725) 18.062 12.136 ( 2.126 24.318 2.667) 24.556 12.566 ( -8.420 15.979 -4.719) 18.668 12.842 ( -2.814 9.854 5.521) 11.640 13.485 ( -3.120 4.816 1.052) 5.834 13.680 ( 4.316 -4.503 8.312) 10.392 14.195 ( 3.489 -5.951 -10.774) 12.793 14.525 ( 2.964 -4.335 2.353) 5.754 15.226 ( -6.632 -0.010 3.853) 7.670 15.556 ( 8.730 -0.503 -0.231) 8.747 16.285 ( -0.813 -5.642 9.519) 11.095 16.538 ( -2.285 6.254 -10.166) 12.152 16.907 ( -7.881 -7.996 15.857) 19.429 16.998 ( 3.108 -14.578 1.049) 14.942 17.627 ( -0.062 -4.831 2.322) 5.360 19.269 ( -3.242 2.151 0.134) 3.893 20.554 ( -7.589 9.624 4.666) 13.115 21.360 ( 7.495 -10.035 -27.093) 29.848 22.022 ( 7.327 5.389 -17.743) 19.939 25.327 ( -10.918 -0.595 2.560) 11.230 26.072 ( 24.177 -0.672 -7.232) 25.244 26.849 ( -0.569 -0.830 14.182) 14.218 27.890 ( -5.847 -0.125 -15.608) 16.668 29.631 ( 2.402 -5.243 6.432) 8.639 29.762 ( -1.953 -7.946 -1.079) 8.254 30.506 ( -5.311 3.014 12.068) 13.525 30.779 ( -5.266 7.187 18.020) 20.102 31.345 ( 6.556 3.822 9.966) 12.526 31.540 ( -1.815 1.622 4.716) 5.307 31.907 ( 4.911 0.418 2.818) 5.677 32.943 ( -5.931 -2.762 -27.032) 27.812 ======================= Grid point 226 (119/186) ======================= q-point: (-0.12 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -17.349 -8.541 -12.451) 22.999 3.783 ( 1.565 6.740 13.982) 15.601 4.137 ( 9.495 12.178 5.005) 16.233 4.236 ( 3.643 14.254 16.457) 22.074 4.959 ( -0.860 3.553 1.268) 3.869 5.269 ( -0.356 -14.547 0.592) 14.563 5.510 ( -1.798 -8.799 -2.417) 9.300 5.876 ( -1.163 11.114 -1.809) 11.320 6.213 ( -0.892 1.776 13.416) 13.563 6.432 ( -0.698 1.012 13.193) 13.251 6.649 ( -6.690 4.089 29.955) 30.964 6.983 ( -8.650 -0.180 2.360) 8.968 7.159 ( -1.710 -2.264 1.462) 3.191 7.441 ( -3.468 2.475 14.646) 15.253 7.609 ( -11.987 5.378 14.085) 19.261 8.353 ( 7.885 14.062 6.689) 17.454 8.532 ( -2.679 2.334 13.292) 13.759 8.696 ( -1.874 -2.086 1.735) 3.297 8.903 ( -10.520 -9.262 14.938) 20.484 9.116 ( -1.063 5.217 -1.608) 5.562 9.295 ( 0.798 -12.192 -6.631) 13.901 9.317 ( 3.984 -9.456 -1.208) 10.332 9.794 ( -4.499 1.032 5.779) 7.396 10.104 ( 9.877 16.490 -7.328) 20.571 10.317 ( -4.478 9.450 -2.110) 10.668 10.785 ( 10.699 5.520 -2.157) 12.231 11.034 ( 4.122 -0.894 -11.044) 11.822 11.415 ( -7.080 -5.014 -14.722) 17.088 11.702 ( 3.927 -18.152 -6.246) 19.594 11.841 ( 8.896 14.879 -9.158) 19.605 11.947 ( -0.834 3.928 2.886) 4.945 12.266 ( -2.048 1.541 -12.257) 12.522 12.817 ( 2.819 -2.368 1.662) 4.039 13.362 ( -2.474 5.689 2.313) 6.621 13.881 ( 6.649 -4.782 6.410) 10.400 14.250 ( -1.734 -5.636 -8.910) 10.684 14.612 ( -1.335 -4.967 0.469) 5.165 15.143 ( -8.670 -0.014 -0.169) 8.671 15.542 ( -2.239 4.544 -2.964) 5.869 16.341 ( -5.160 -2.115 9.742) 11.225 16.367 ( 3.560 8.799 -16.211) 18.785 16.961 ( -10.250 -7.161 17.368) 21.401 17.370 ( 8.730 -17.968 9.472) 22.109 17.620 ( -1.982 3.815 -4.887) 6.509 19.291 ( -0.181 -3.463 15.856) 16.231 20.344 ( -5.115 7.716 0.684) 9.283 21.487 ( 9.289 -6.515 -23.868) 26.427 21.971 ( 8.237 5.124 -19.332) 21.629 25.224 ( -7.213 -0.985 2.780) 7.792 26.328 ( 16.538 -0.794 -13.015) 21.060 26.945 ( 0.324 -3.311 14.492) 14.869 27.758 ( -3.455 -0.474 -12.925) 13.387 29.762 ( -1.704 -7.227 6.619) 9.947 29.850 ( 2.563 -2.964 3.735) 5.413 30.431 ( -3.351 7.619 9.970) 12.987 30.619 ( -8.987 7.274 8.508) 14.355 31.338 ( -1.871 3.971 7.668) 8.836 31.546 ( -1.116 -2.302 5.189) 5.785 32.043 ( 8.617 0.482 7.981) 11.755 32.784 ( -3.586 -1.305 -25.574) 25.857 ======================= Grid point 231 (120/186) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -8.411 -0.000 10.529) 13.476 4.081 ( -0.954 -0.000 12.769) 12.805 4.280 ( -2.653 -0.000 -0.368) 2.678 5.025 ( -26.186 -0.000 7.243) 27.170 5.082 ( -11.075 -0.000 -4.484) 11.949 5.164 ( -3.903 -0.000 6.764) 7.810 5.994 ( -7.654 -0.000 14.115) 16.056 6.077 ( 8.404 0.000 -4.165) 9.380 6.305 ( -6.764 -0.000 1.831) 7.008 6.644 ( -5.898 -0.000 17.988) 18.931 6.689 ( 4.745 0.000 -0.334) 4.757 6.791 ( -12.811 -0.000 17.196) 21.444 7.010 ( 3.559 0.000 0.865) 3.662 7.226 ( 12.652 0.000 37.707) 39.773 7.794 ( 0.770 0.000 15.338) 15.357 7.959 ( -0.146 -0.000 -12.698) 12.698 8.338 ( -7.940 -0.000 17.099) 18.852 8.369 ( 10.675 0.000 -15.622) 18.921 8.892 ( 17.945 0.000 -10.867) 20.979 8.978 ( -4.510 -0.000 -11.712) 12.550 9.304 ( -9.401 -0.000 15.202) 17.874 9.418 ( -6.251 -0.000 -0.516) 6.272 9.720 ( -1.913 -0.000 -4.666) 5.043 10.084 ( 23.085 0.000 12.576) 26.288 10.731 ( 5.596 0.000 -10.009) 11.467 10.926 ( 3.376 0.000 -15.696) 16.055 10.935 ( 7.358 0.000 6.094) 9.554 11.270 ( -13.828 -0.000 0.426) 13.834 11.426 ( 8.577 0.000 -14.574) 16.910 11.622 ( -16.103 -0.000 -20.852) 26.346 12.649 ( -11.284 -0.000 11.713) 16.264 12.859 ( -1.747 -0.000 0.484) 1.813 13.225 ( 15.638 0.000 9.475) 18.285 13.366 ( -1.939 -0.000 6.820) 7.090 14.035 ( 4.884 0.000 -10.956) 11.996 14.133 ( 19.157 0.000 -17.609) 26.021 14.532 ( -12.465 -0.000 16.339) 20.551 15.232 ( -9.665 -0.000 11.273) 14.849 15.465 ( -5.090 -0.000 -1.158) 5.220 15.991 ( 10.382 0.000 -2.735) 10.736 16.379 ( 5.675 0.000 36.695) 37.132 16.639 ( -0.656 -0.000 12.914) 12.931 16.875 ( 1.303 0.000 -24.530) 24.565 17.391 ( -14.822 -0.000 9.831) 17.786 19.585 ( -0.004 -0.000 -22.568) 22.568 20.866 ( -4.329 -0.000 8.618) 9.644 21.013 ( 4.225 0.000 -35.033) 35.287 22.148 ( 4.495 0.000 -13.263) 14.004 25.438 ( -10.466 -0.000 4.809) 11.518 25.811 ( 18.455 0.000 -6.778) 19.660 26.849 ( -6.213 -0.000 11.757) 13.298 27.990 ( 0.826 0.000 -17.007) 17.027 29.456 ( 2.656 0.000 1.028) 2.848 29.552 ( -4.645 -0.000 1.443) 4.864 30.593 ( -11.788 -0.000 14.617) 18.778 31.004 ( 9.177 0.000 28.638) 30.072 31.019 ( 7.402 0.000 19.393) 20.758 31.656 ( -1.136 -0.000 -1.818) 2.144 32.005 ( -1.943 -0.000 -8.006) 8.239 33.002 ( -2.260 -0.000 -23.694) 23.802 ======================= Grid point 232 (121/186) ======================= q-point: (-0.38 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( -16.998 2.835 10.337) 20.096 4.116 ( -2.330 3.894 7.175) 8.490 4.291 ( 0.946 -6.747 8.232) 10.686 4.683 ( -29.230 -3.607 5.314) 29.928 4.882 ( -4.669 10.097 0.580) 11.140 5.179 ( -4.317 -2.499 3.884) 6.322 5.752 ( -6.718 16.595 3.915) 18.326 6.157 ( -10.210 0.862 -2.309) 10.503 6.249 ( 1.822 -8.067 -2.799) 8.731 6.584 ( -9.783 0.870 24.405) 26.308 6.673 ( 4.526 9.258 16.480) 19.437 6.861 ( -7.156 -6.683 12.367) 15.774 7.059 ( 3.172 -0.211 0.796) 3.277 7.562 ( 7.412 -3.199 22.974) 24.351 7.759 ( 2.482 7.203 18.875) 20.355 8.045 ( -1.981 -10.996 -0.756) 11.199 8.329 ( -3.374 -0.856 14.272) 14.691 8.483 ( 5.927 -5.316 -11.162) 13.711 8.859 ( -0.447 0.282 -14.046) 14.056 9.075 ( 14.024 0.687 -12.029) 18.489 9.266 ( -8.425 0.830 8.631) 12.090 9.309 ( -4.039 1.658 7.495) 8.674 9.757 ( 2.837 -7.750 -4.561) 9.430 10.409 ( 15.923 -1.684 8.633) 18.191 10.696 ( -2.572 9.222 -9.600) 13.558 10.811 ( 2.139 10.854 -2.386) 11.317 10.959 ( 1.909 -1.240 -7.336) 7.681 11.168 ( 1.708 1.495 -3.764) 4.395 11.331 ( -18.061 -9.159 -22.052) 29.940 11.622 ( 13.522 -7.176 -10.211) 18.401 12.536 ( -12.439 -0.932 7.269) 14.437 12.802 ( -1.013 6.203 2.028) 6.604 13.260 ( -6.422 10.772 5.006) 13.504 13.497 ( 13.293 -2.757 7.429) 15.476 13.922 ( -13.577 13.169 -4.673) 19.483 14.169 ( 6.521 7.650 -4.569) 11.042 14.462 ( 7.750 -3.858 -5.336) 10.170 15.182 ( -11.226 -4.119 9.626) 15.351 15.510 ( 12.281 0.405 3.425) 12.756 16.127 ( 6.381 -2.671 6.381) 9.411 16.623 ( -6.367 -2.949 16.360) 17.801 16.722 ( -2.502 -3.425 -11.576) 12.329 16.759 ( 6.301 -1.725 11.907) 13.581 17.364 ( -3.744 -8.711 9.090) 13.135 19.449 ( 0.916 7.239 -16.859) 18.370 20.779 ( -8.044 4.722 6.855) 11.576 21.019 ( 7.112 -9.985 -33.825) 35.978 22.131 ( 3.889 1.937 -13.578) 14.256 25.305 ( -11.860 -0.591 2.684) 12.174 26.068 ( 23.874 0.120 -7.541) 25.037 26.826 ( -5.336 -0.560 12.668) 13.757 27.908 ( -2.209 0.701 -15.649) 15.820 29.514 ( 0.371 -1.776 2.516) 3.102 29.564 ( 2.777 -4.792 0.853) 5.604 30.514 ( -9.620 -0.547 14.165) 17.131 31.067 ( 4.161 10.458 23.215) 25.799 31.338 ( 10.468 -5.219 22.512) 25.369 31.616 ( -1.767 2.182 -0.510) 2.854 31.926 ( -2.365 1.200 -7.147) 7.623 32.847 ( -7.836 -2.619 -25.907) 27.192 ======================= Grid point 233 (122/186) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( -24.554 0.256 4.395) 24.945 4.015 ( -1.625 8.068 6.399) 10.425 4.310 ( -21.479 2.297 9.329) 23.530 4.590 ( -1.401 -11.830 13.518) 18.018 4.714 ( -2.240 2.355 -0.682) 3.321 5.195 ( -0.540 -5.805 -1.110) 5.935 5.482 ( 1.093 16.742 2.223) 16.924 5.970 ( -14.287 -0.972 -0.332) 14.323 6.351 ( 4.665 2.263 4.053) 6.581 6.587 ( -0.714 5.310 15.730) 16.618 6.677 ( -6.325 -4.622 20.128) 21.599 6.868 ( -7.530 0.318 17.615) 19.159 7.112 ( 2.726 -0.858 1.876) 3.419 7.518 ( -9.501 5.417 4.652) 11.885 7.834 ( -2.779 7.831 27.076) 28.322 8.247 ( -0.279 -15.281 2.130) 15.431 8.390 ( -0.898 -6.176 7.458) 9.725 8.561 ( -4.135 -7.829 5.139) 10.238 8.916 ( 19.494 3.779 -11.169) 22.782 9.076 ( -2.327 2.545 -1.053) 3.605 9.156 ( 2.593 5.592 -5.476) 8.245 9.384 ( -3.988 -9.394 11.403) 15.303 9.832 ( -1.871 8.868 3.269) 9.635 10.346 ( -5.102 0.649 -10.584) 11.768 10.690 ( 11.317 11.294 0.173) 15.989 10.798 ( 5.854 -6.221 -5.850) 10.354 10.909 ( -7.940 -7.594 -13.662) 17.532 11.215 ( -9.264 -11.290 -17.521) 22.810 11.235 ( 15.344 4.096 -1.877) 15.991 11.870 ( 13.452 -6.241 -8.315) 17.001 12.368 ( -9.229 6.465 -3.312) 11.745 12.622 ( -10.381 17.173 3.715) 20.408 12.890 ( -15.082 9.704 1.857) 18.030 13.574 ( -5.981 8.552 4.268) 11.275 13.738 ( 10.334 -3.424 4.987) 11.975 14.189 ( 7.221 2.226 -5.265) 9.210 14.592 ( 10.172 1.585 -7.335) 12.641 15.112 ( -10.967 -2.529 8.764) 14.265 15.647 ( 4.028 3.349 -0.973) 5.328 16.247 ( -2.681 -4.431 9.252) 10.603 16.514 ( 2.670 0.134 -19.449) 19.632 16.808 ( -3.651 -4.627 17.264) 18.242 16.952 ( 8.531 -4.930 13.589) 16.785 17.567 ( 3.889 -9.400 7.066) 12.386 19.307 ( 0.955 5.910 -3.502) 6.935 20.594 ( -9.121 7.948 5.690) 13.369 21.175 ( 9.666 -13.597 -30.917) 35.130 22.087 ( 3.839 2.718 -15.184) 15.896 25.188 ( -8.676 -1.259 2.362) 9.079 26.321 ( 18.214 0.207 -11.846) 21.728 26.840 ( -4.622 -3.372 12.825) 14.044 27.796 ( -0.873 2.331 -12.444) 12.690 29.562 ( -1.858 -5.378 2.430) 6.187 29.727 ( 8.192 -4.875 3.014) 9.998 30.475 ( -6.680 -1.103 12.550) 14.260 30.993 ( -1.691 14.849 19.615) 24.659 31.504 ( 1.801 5.717 6.651) 8.954 31.553 ( -3.277 1.925 4.748) 6.082 31.956 ( 5.342 -5.628 4.478) 8.959 32.680 ( -7.567 -5.145 -26.694) 28.219 ======================= Grid point 234 (123/186) ======================= q-point: (-0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -23.408 -7.146 -5.110) 25.003 3.922 ( -2.834 3.510 9.035) 10.099 4.111 ( -17.244 -6.443 16.424) 24.670 4.560 ( 6.460 11.267 -1.495) 13.073 4.943 ( 1.201 -15.610 6.415) 16.920 5.277 ( -2.231 8.423 1.995) 8.939 5.366 ( 11.158 -4.038 2.021) 12.038 5.852 ( -9.829 -4.611 5.344) 12.101 6.350 ( 3.024 7.382 9.488) 12.396 6.559 ( 1.444 5.524 11.247) 12.613 6.738 ( -14.099 -7.399 13.876) 21.120 6.812 ( -4.951 6.814 22.353) 23.887 7.171 ( 2.527 -1.420 3.166) 4.293 7.336 ( -12.992 -0.745 8.129) 15.344 7.727 ( -2.300 11.352 12.197) 16.820 8.280 ( -15.313 -7.721 4.256) 17.669 8.524 ( -2.862 -1.056 1.549) 3.421 8.634 ( -2.519 -2.774 9.588) 10.294 9.060 ( 2.754 0.179 12.793) 13.087 9.097 ( 4.302 -4.005 -2.619) 6.434 9.197 ( 15.484 -1.642 -7.918) 17.469 9.382 ( -1.713 12.714 2.120) 13.003 9.634 ( -11.212 -6.602 3.764) 13.545 10.350 ( -0.268 -1.088 -3.584) 3.756 10.531 ( 9.128 21.194 -2.606) 23.223 10.879 ( 2.132 -3.820 -16.024) 16.611 10.968 ( -4.551 -13.163 -12.846) 18.947 11.224 ( 7.864 4.438 -5.212) 10.427 11.448 ( 5.277 -13.630 -2.001) 14.752 11.953 ( -6.927 5.600 -8.370) 12.223 12.134 ( -3.267 -1.791 -10.823) 11.446 12.265 ( 4.173 14.960 3.175) 15.852 12.737 ( -6.594 -2.586 0.381) 7.093 13.461 ( -1.698 5.033 6.325) 8.259 13.910 ( 6.313 -3.465 -4.121) 8.297 14.236 ( 6.924 3.206 2.987) 8.194 14.602 ( 1.673 3.301 -6.429) 7.418 15.045 ( -7.253 1.051 5.025) 8.885 15.510 ( -7.564 4.082 -6.607) 10.841 16.286 ( -0.382 -3.088 -2.142) 3.777 16.507 ( 5.899 6.724 -3.262) 9.521 16.859 ( -5.626 -2.929 20.565) 21.521 17.303 ( 11.056 -14.903 9.134) 20.683 17.671 ( 3.071 4.500 -3.144) 6.290 19.323 ( 2.288 -2.323 13.604) 13.990 20.387 ( -6.273 7.516 3.356) 10.349 21.379 ( 10.827 -11.660 -27.397) 31.682 22.027 ( 3.460 2.642 -17.749) 18.275 25.150 ( -2.343 -2.042 3.931) 5.011 26.381 ( 0.376 0.861 -17.601) 17.626 26.894 ( -6.329 -5.646 12.000) 14.694 27.767 ( 9.604 2.423 -8.352) 12.957 29.636 ( -2.238 -6.538 2.996) 7.532 29.922 ( 8.838 -3.078 6.671) 11.493 30.461 ( -4.483 0.035 8.804) 9.879 30.759 ( -6.815 17.666 13.301) 23.140 31.393 ( -5.458 6.512 6.629) 10.777 31.518 ( -3.019 -0.734 4.023) 5.083 32.087 ( -3.987 -3.603 1.497) 5.579 32.662 ( 9.771 -6.052 -19.549) 22.677 ======================= Grid point 240 (124/186) ======================= q-point: (-0.38 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -25.086 -0.000 13.107) 28.303 4.140 ( -7.373 -0.000 20.887) 22.151 4.260 ( -30.304 -0.000 5.005) 30.714 4.269 ( -0.930 -0.000 4.701) 4.792 4.902 ( -2.919 -0.000 -2.000) 3.538 5.185 ( 1.129 0.000 9.931) 9.995 5.659 ( -19.903 -0.000 -11.919) 23.199 6.006 ( -11.799 -0.000 9.956) 15.439 6.166 ( -0.724 -0.000 3.799) 3.867 6.697 ( -8.537 -0.000 39.750) 40.656 6.775 ( 5.887 0.000 -4.826) 7.612 6.855 ( -0.021 -0.000 20.087) 20.087 7.099 ( 3.163 0.000 -0.832) 3.271 7.715 ( 1.604 0.000 9.954) 10.083 7.900 ( 0.979 0.000 -9.678) 9.728 7.972 ( 1.552 0.000 38.200) 38.232 8.324 ( -8.555 -0.000 -17.050) 19.076 8.371 ( -0.335 -0.000 15.923) 15.926 8.926 ( 15.765 0.000 -16.542) 22.851 9.085 ( -6.021 -0.000 11.647) 13.111 9.305 ( -1.196 -0.000 2.310) 2.601 9.424 ( 18.981 0.000 -8.442) 20.774 9.664 ( -0.506 -0.000 -5.528) 5.551 10.393 ( -6.601 -0.000 -10.738) 12.605 10.627 ( -12.616 -0.000 -16.513) 20.781 10.839 ( -8.050 -0.000 -24.233) 25.535 11.003 ( -4.475 -0.000 -0.591) 4.513 11.098 ( 16.202 0.000 7.961) 18.053 11.259 ( 6.837 0.000 3.696) 7.772 11.728 ( 15.595 0.000 -8.241) 17.638 12.356 ( -13.527 -0.000 6.888) 15.180 12.845 ( -1.653 -0.000 -0.305) 1.681 13.170 ( -23.187 -0.000 -0.814) 23.201 13.695 ( 13.453 0.000 6.533) 14.955 13.760 ( -19.596 -0.000 -0.853) 19.614 14.342 ( 5.792 0.000 0.257) 5.797 14.536 ( 20.583 0.000 -13.061) 24.377 15.045 ( -11.066 -0.000 9.288) 14.447 15.735 ( 16.655 0.000 2.820) 16.892 16.151 ( -9.365 -0.000 5.767) 10.999 16.498 ( 2.048 0.000 -25.802) 25.883 16.688 ( -0.549 -0.000 27.443) 27.448 17.030 ( 15.614 0.000 26.819) 31.033 17.274 ( -2.482 -0.000 4.705) 5.319 19.474 ( 3.149 0.000 -13.790) 14.145 20.726 ( -10.014 -0.000 7.753) 12.664 20.900 ( 9.917 0.000 -35.530) 36.888 22.126 ( 1.980 0.000 -13.228) 13.376 25.167 ( -9.193 -0.000 2.491) 9.525 26.327 ( 19.409 0.000 -12.224) 22.938 26.785 ( -7.716 -0.000 12.599) 14.774 27.841 ( 0.912 0.000 -12.404) 12.437 29.481 ( -1.664 -0.000 1.404) 2.177 29.639 ( 9.455 0.000 2.764) 9.851 30.455 ( -7.299 -0.000 13.659) 15.487 31.295 ( 0.672 0.000 17.468) 17.481 31.537 ( 11.841 0.000 27.645) 30.075 31.609 ( -1.708 -0.000 0.572) 1.801 31.853 ( -3.564 -0.000 -9.375) 10.030 32.575 ( -12.541 -0.000 -26.088) 28.946 ======================= Grid point 241 (125/186) ======================= q-point: (-0.25 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -29.724 5.421 13.833) 33.230 3.869 ( -35.821 -3.565 12.222) 38.016 4.127 ( -6.613 1.940 12.664) 14.418 4.362 ( -5.637 -15.341 13.248) 21.038 4.850 ( 0.663 5.270 0.117) 5.313 5.147 ( 0.234 4.570 -1.661) 4.869 5.496 ( -9.922 -9.559 -2.659) 14.032 5.897 ( -4.804 5.625 12.710) 14.706 6.240 ( -3.400 -9.744 6.663) 12.284 6.688 ( -1.192 4.875 19.022) 19.673 6.760 ( -3.865 7.847 6.741) 11.043 6.951 ( -1.035 0.708 27.617) 27.645 7.140 ( 1.874 -0.046 1.369) 2.321 7.563 ( -6.318 12.971 2.995) 14.736 7.917 ( -10.066 -2.610 12.761) 16.462 8.133 ( 4.053 -0.043 -6.008) 7.247 8.278 ( 0.557 -10.197 11.030) 15.031 8.476 ( -0.071 -5.206 11.119) 12.277 8.980 ( -1.501 0.871 -2.310) 2.889 9.156 ( 1.967 -8.371 1.238) 8.688 9.317 ( 8.230 6.453 0.391) 10.465 9.397 ( 8.587 13.285 -5.832) 16.860 9.805 ( -1.377 -6.365 -5.961) 8.829 10.191 ( -10.422 -0.349 -15.015) 18.280 10.462 ( -6.366 -14.931 -19.389) 25.287 10.755 ( 3.342 -2.293 -20.143) 20.547 10.918 ( -3.666 3.397 -0.814) 5.064 11.211 ( 10.430 9.149 4.213) 14.499 11.453 ( 11.880 -3.529 6.552) 14.018 11.916 ( 11.404 -4.430 -8.400) 14.841 12.227 ( -10.656 1.309 -1.372) 10.823 12.641 ( -30.776 11.987 2.458) 33.119 12.796 ( -6.092 2.035 -2.135) 6.768 13.568 ( -7.852 2.328 5.978) 10.140 13.877 ( 11.111 0.284 1.408) 11.204 14.387 ( 11.240 6.447 -1.241) 13.017 14.741 ( 11.781 3.144 -11.911) 17.046 14.969 ( -7.629 -4.746 11.851) 14.872 15.751 ( -5.370 11.671 -7.508) 14.881 16.094 ( -1.192 -10.448 -6.414) 12.317 16.559 ( 10.726 -0.365 -1.832) 10.888 16.842 ( 3.221 -1.734 23.262) 23.548 17.137 ( 5.265 7.163 10.778) 13.971 17.535 ( 11.158 -12.728 15.247) 22.781 19.415 ( 3.037 6.460 -5.102) 8.775 20.591 ( -9.752 4.661 8.544) 13.777 20.992 ( 12.246 -11.222 -33.528) 37.416 22.077 ( 0.458 0.825 -14.820) 14.850 25.100 ( -3.569 -1.042 3.892) 5.383 26.412 ( 2.485 1.014 -18.159) 18.356 26.748 ( -8.911 -3.385 11.961) 15.295 27.855 ( 11.118 2.465 -7.497) 13.634 29.493 ( -0.917 -2.733 2.357) 3.723 29.813 ( 11.133 -3.043 3.171) 11.969 30.436 ( -4.691 -0.715 12.081) 12.979 31.246 ( -4.521 11.542 14.237) 18.877 31.560 ( -2.793 3.536 2.618) 5.211 31.626 ( -2.428 8.846 4.794) 10.350 31.898 ( -2.055 -8.747 1.905) 9.185 32.412 ( -0.040 -8.793 -16.660) 18.838 ======================= Grid point 242 (126/186) ======================= q-point: (-0.12 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -26.664 -0.201 8.609) 28.020 3.612 ( -29.173 -15.091 17.425) 37.181 4.031 ( -7.692 3.836 10.835) 13.830 4.607 ( -5.939 -13.221 5.367) 15.456 4.804 ( 0.686 -5.008 8.727) 10.085 5.180 ( 2.075 -5.596 -5.903) 8.394 5.527 ( -3.644 -5.118 6.284) 8.886 5.838 ( 5.519 9.141 13.481) 17.198 6.387 ( -4.273 -11.908 4.540) 13.441 6.580 ( -6.952 10.098 9.754) 15.666 6.666 ( -3.086 4.489 11.233) 12.484 6.999 ( -7.497 4.348 35.840) 36.873 7.110 ( -1.238 1.596 -3.214) 3.796 7.360 ( -1.864 7.604 7.510) 10.849 7.872 ( -5.277 2.339 14.934) 16.010 8.066 ( -5.745 1.966 -5.661) 8.301 8.426 ( -7.071 -2.949 1.708) 7.849 8.581 ( -1.869 -5.703 5.547) 8.172 8.977 ( 0.611 -4.218 -1.810) 4.630 9.189 ( 4.011 4.552 -3.691) 7.102 9.362 ( -3.866 -10.312 11.606) 15.999 9.449 ( 7.269 3.500 -7.064) 10.723 9.591 ( 1.696 12.467 -2.026) 12.744 10.216 ( -3.485 -10.249 -7.012) 12.898 10.565 ( -2.608 -12.469 -17.533) 21.672 10.775 ( 2.556 1.009 -6.935) 7.460 10.877 ( 5.633 -3.825 -11.092) 13.015 11.277 ( 8.160 -0.866 -0.104) 8.206 11.627 ( 10.715 2.552 1.665) 11.140 11.791 ( -21.646 14.498 -5.657) 26.660 12.072 ( 0.878 0.248 -10.648) 10.687 12.334 ( -6.182 -5.412 9.304) 12.412 12.687 ( -3.369 4.409 -3.805) 6.729 13.498 ( -3.365 2.182 7.880) 8.842 13.973 ( 8.068 2.833 -6.693) 10.858 14.460 ( 10.941 4.914 3.706) 12.553 14.648 ( -2.551 5.646 -4.114) 7.437 15.050 ( 2.046 1.699 4.477) 5.207 15.447 ( -6.572 6.841 -14.107) 17.000 16.208 ( 2.737 -6.590 -8.949) 11.446 16.685 ( 7.128 4.361 7.533) 11.251 16.910 ( -1.319 4.032 22.287) 22.687 17.295 ( 8.202 -9.185 8.120) 14.750 17.802 ( 9.337 2.958 0.975) 9.843 19.400 ( 2.933 1.074 10.495) 10.950 20.427 ( -6.709 6.442 7.878) 12.189 21.222 ( 13.194 -14.026 -30.115) 35.745 21.995 ( -0.518 0.800 -17.780) 17.806 25.144 ( 3.072 -2.404 6.283) 7.395 26.225 ( -13.766 1.645 -20.113) 24.428 26.740 ( -10.281 -5.981 11.850) 16.790 27.984 ( 18.587 4.530 -6.004) 20.051 29.548 ( -1.130 -4.557 3.856) 6.075 30.032 ( 11.387 -3.724 4.610) 12.837 30.443 ( -2.629 -0.403 8.718) 9.115 30.966 ( -10.442 17.529 7.117) 21.609 31.422 ( -10.653 4.600 5.581) 12.876 31.507 ( -1.712 5.158 5.974) 8.077 31.871 ( -10.996 -6.965 -8.718) 15.666 32.692 ( 19.065 -10.452 -6.385) 22.660 ======================= Grid point 249 (127/186) ======================= q-point: (-0.25 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -29.347 -0.000 22.673) 37.085 3.374 ( -42.657 -0.000 16.814) 45.851 4.049 ( -14.986 -0.000 26.284) 30.256 4.189 ( -9.088 -0.000 8.280) 12.295 4.855 ( -4.482 -0.000 -1.455) 4.712 5.131 ( -4.079 -0.000 -11.475) 12.179 5.412 ( 7.859 0.000 10.909) 13.445 5.912 ( -4.067 -0.000 15.862) 16.375 6.222 ( 3.037 0.000 5.446) 6.236 6.709 ( -7.845 -0.000 16.061) 17.875 6.837 ( 0.989 0.000 -8.348) 8.407 7.018 ( -13.167 -0.000 50.105) 51.807 7.193 ( 4.613 0.000 -0.864) 4.693 7.636 ( -13.397 -0.000 -14.203) 19.524 7.721 ( -4.167 -0.000 18.029) 18.504 8.186 ( 7.950 0.000 -10.663) 13.300 8.280 ( -0.017 -0.000 13.949) 13.949 8.473 ( -0.911 -0.000 6.802) 6.862 8.967 ( -4.755 -0.000 -5.468) 7.247 9.063 ( -2.293 -0.000 17.975) 18.120 9.424 ( -13.567 -0.000 -1.661) 13.668 9.565 ( 17.893 0.000 -10.832) 20.916 9.829 ( 10.032 0.000 -17.789) 20.422 9.974 ( -6.717 -0.000 -9.142) 11.344 10.205 ( 3.447 0.000 -20.841) 21.124 10.696 ( 4.806 0.000 -21.455) 21.986 10.897 ( -7.431 -0.000 2.089) 7.719 11.363 ( -2.477 -0.000 4.620) 5.242 11.560 ( 7.627 0.000 6.032) 9.724 11.987 ( 9.037 0.000 -11.364) 14.519 12.184 ( -0.427 -0.000 0.198) 0.471 12.292 ( -29.414 -0.000 7.376) 30.325 12.733 ( -4.504 -0.000 -4.711) 6.517 13.531 ( -4.092 -0.000 8.712) 9.625 14.028 ( 10.154 0.000 -0.985) 10.201 14.577 ( 9.914 0.000 0.359) 9.920 14.750 ( -10.748 -0.000 0.142) 10.749 15.013 ( 15.490 0.000 -0.305) 15.493 15.650 ( -11.688 -0.000 -21.762) 24.702 16.023 ( 5.116 0.000 -5.610) 7.593 16.719 ( 10.107 0.000 9.989) 14.210 17.023 ( 9.801 0.000 22.213) 24.279 17.223 ( -4.293 -0.000 2.654) 5.047 17.740 ( 19.640 0.000 21.087) 28.817 19.489 ( 2.680 0.000 -2.075) 3.390 20.547 ( -8.256 -0.000 11.522) 14.175 20.942 ( 14.919 0.000 -33.283) 36.474 22.006 ( -1.943 -0.000 -16.371) 16.486 25.103 ( 2.017 0.000 6.356) 6.668 26.256 ( -13.631 -0.000 -21.287) 25.277 26.639 ( -10.668 -0.000 12.541) 16.465 28.072 ( 20.789 0.000 -5.118) 21.410 29.477 ( -0.450 -0.000 3.372) 3.402 29.954 ( 11.752 0.000 2.371) 11.988 30.433 ( -2.259 -0.000 10.254) 10.499 31.253 ( -11.831 -0.000 6.149) 13.333 31.597 ( -21.329 -0.000 -10.485) 23.767 31.602 ( 0.059 0.000 -0.592) 0.595 31.735 ( -0.943 -0.000 1.878) 2.102 32.427 ( 16.684 0.000 6.582) 17.935 ======================= Grid point 250 (128/186) ======================= q-point: (-0.12 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -24.819 8.413 24.392) 35.802 3.035 ( -34.733 -16.858 24.165) 45.547 3.993 ( -10.897 1.203 16.207) 19.566 4.258 ( -9.954 -21.052 23.321) 32.957 4.729 ( -9.529 0.299 -1.702) 9.685 5.137 ( 4.575 -2.546 -7.806) 9.399 5.540 ( 4.806 1.382 10.426) 11.564 5.993 ( 1.616 -3.984 14.177) 14.815 6.298 ( 3.147 -1.074 4.899) 5.921 6.625 ( -9.463 5.153 8.993) 14.035 6.727 ( -4.749 6.287 3.411) 8.586 6.997 ( -16.629 3.852 29.937) 34.461 7.206 ( 0.653 -0.288 4.824) 4.876 7.394 ( -8.334 0.524 -0.881) 8.397 7.786 ( -7.643 -1.925 23.951) 25.215 8.154 ( 1.772 9.996 -11.687) 15.481 8.323 ( 1.711 -1.190 -2.504) 3.258 8.499 ( -2.601 -2.638 0.841) 3.799 8.911 ( -2.004 -4.771 -2.289) 5.658 9.172 ( -1.680 -5.334 14.704) 15.732 9.333 ( -4.510 -4.710 5.876) 8.778 9.480 ( 1.981 13.174 -20.174) 24.176 9.824 ( 10.630 2.152 -7.560) 13.221 10.008 ( 1.592 -4.810 -8.524) 9.916 10.361 ( 6.740 -11.556 -12.879) 18.569 10.724 ( 5.312 -4.842 -16.531) 18.026 10.796 ( -5.886 -3.685 -0.337) 6.953 11.336 ( -3.452 -1.701 0.311) 3.861 11.478 ( -18.275 5.408 -2.086) 19.172 11.986 ( 3.805 5.737 -4.174) 8.050 12.084 ( -0.937 3.668 3.598) 5.223 12.245 ( 6.053 -1.598 5.109) 8.080 12.657 ( -3.204 0.652 -5.996) 6.830 13.537 ( 0.327 1.371 9.622) 9.725 14.090 ( 2.558 3.759 -4.784) 6.600 14.609 ( -2.697 2.394 2.726) 4.520 14.690 ( 8.045 1.608 0.476) 8.218 15.169 ( 6.570 4.396 -2.664) 8.342 15.414 ( 0.656 4.055 -21.953) 22.333 16.095 ( 2.375 -7.438 -11.123) 13.590 16.877 ( 5.714 2.970 16.204) 17.437 17.085 ( -0.791 7.758 12.705) 14.907 17.319 ( 8.701 -6.234 10.117) 14.729 18.009 ( 10.688 4.163 6.751) 13.309 19.501 ( 1.659 2.400 7.880) 8.403 20.465 ( -6.096 4.708 11.206) 13.598 21.102 ( 16.164 -10.517 -30.471) 36.060 21.899 ( -2.599 -0.115 -19.052) 19.228 25.206 ( 6.132 -2.158 8.521) 10.718 25.933 ( -19.406 0.869 -17.016) 25.824 26.582 ( -9.960 -3.601 12.862) 16.662 28.296 ( 20.159 5.101 -6.455) 21.773 29.505 ( -0.694 -2.302 4.939) 5.493 30.143 ( 11.105 -3.519 2.172) 11.850 30.451 ( -0.822 -0.249 6.013) 6.074 31.002 ( -15.908 10.278 -1.004) 18.966 31.248 ( -19.179 -1.052 -4.919) 19.828 31.625 ( -2.895 -3.731 0.235) 4.728 31.684 ( 0.190 8.060 6.301) 10.232 32.783 ( 18.652 -9.450 0.609) 20.919 ======================= Grid point 258 (129/186) ======================= q-point: (-0.12 -0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -11.552 -0.000 34.549) 36.429 2.506 ( -29.111 -0.000 33.039) 44.034 4.015 ( -8.459 -0.000 10.353) 13.369 4.029 ( -6.124 -0.000 40.270) 40.733 4.580 ( -10.567 -0.000 -1.489) 10.672 5.165 ( 5.530 0.000 -5.246) 7.622 5.660 ( 2.876 0.000 8.190) 8.680 6.024 ( 1.126 0.000 13.717) 13.763 6.350 ( 0.711 0.000 1.841) 1.974 6.578 ( -9.990 -0.000 9.619) 13.868 6.696 ( -7.791 -0.000 -17.890) 19.513 6.942 ( -24.053 -0.000 58.093) 62.875 6.973 ( -12.809 -0.000 -13.365) 18.512 7.380 ( 3.345 0.000 2.431) 4.135 7.817 ( -10.078 -0.000 26.418) 28.275 8.203 ( 2.058 0.000 -9.232) 9.458 8.415 ( 14.829 0.000 -13.010) 19.727 8.457 ( -3.617 -0.000 0.029) 3.617 8.811 ( -0.802 -0.000 -1.691) 1.872 9.166 ( -4.472 -0.000 11.003) 11.877 9.245 ( -1.254 -0.000 4.022) 4.213 9.592 ( 1.424 0.000 -7.215) 7.354 9.771 ( 5.081 0.000 -17.349) 18.077 10.123 ( 7.764 0.000 -5.175) 9.331 10.333 ( 11.897 0.000 -6.576) 13.593 10.641 ( -13.735 -0.000 4.739) 14.530 10.685 ( 6.544 0.000 -18.034) 19.185 11.250 ( -5.055 -0.000 -0.014) 5.055 11.265 ( -18.442 -0.000 -2.039) 18.554 12.000 ( 1.824 0.000 -18.172) 18.264 12.114 ( -2.430 -0.000 17.711) 17.877 12.462 ( 15.820 0.000 4.123) 16.348 12.609 ( -0.336 -0.000 -5.212) 5.223 13.622 ( 4.084 0.000 10.133) 10.926 14.043 ( -11.443 -0.000 -3.259) 11.898 14.643 ( 7.832 0.000 1.014) 7.897 14.832 ( 8.238 0.000 1.731) 8.418 15.201 ( -1.996 -0.000 -19.771) 19.872 15.456 ( 12.925 0.000 -12.939) 18.289 15.988 ( -1.034 -0.000 -12.679) 12.721 16.984 ( -6.403 -0.000 10.784) 12.542 17.178 ( 4.549 0.000 14.503) 15.199 17.458 ( 10.040 0.000 5.017) 11.223 18.204 ( 6.231 0.000 10.364) 12.093 19.555 ( -2.055 -0.000 8.246) 8.499 20.454 ( -9.801 -0.000 9.259) 13.483 21.123 ( 18.175 0.000 -28.349) 33.675 21.777 ( -2.426 -0.000 -20.996) 21.136 25.300 ( 4.636 0.000 9.433) 10.511 25.669 ( -10.504 -0.000 -8.524) 13.527 26.504 ( -5.902 -0.000 14.710) 15.850 28.544 ( 13.834 0.000 -10.168) 17.169 29.506 ( -0.079 -0.000 6.617) 6.617 30.254 ( 9.297 0.000 0.428) 9.307 30.426 ( -5.317 -0.000 -1.804) 5.615 30.866 ( -17.176 -0.000 -1.928) 17.284 30.973 ( -10.545 -0.000 -0.283) 10.549 31.558 ( -1.723 -0.000 -0.946) 1.965 31.821 ( 2.103 0.000 8.985) 9.227 32.918 ( 11.693 0.000 -1.246) 11.759 ======================= Grid point 259 (130/186) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 4.145 0.000 23.683) 24.043 3.341 ( 11.462 0.000 18.346) 21.632 4.143 ( 6.016 0.000 3.303) 6.863 4.224 ( -8.903 -0.000 14.975) 17.422 5.240 ( 2.279 0.000 6.211) 6.616 5.257 ( -22.931 -0.000 -10.690) 25.300 5.365 ( 17.205 0.000 9.826) 19.813 5.761 ( -2.346 -0.000 -18.123) 18.274 6.272 ( -3.306 -0.000 5.280) 6.230 6.292 ( -1.786 -0.000 -0.038) 1.786 6.567 ( 2.426 0.000 11.540) 11.792 6.988 ( 1.575 0.000 3.122) 3.497 7.471 ( -12.929 -0.000 4.518) 13.696 7.525 ( 7.264 0.000 -1.571) 7.432 7.841 ( -12.813 -0.000 18.989) 22.908 8.204 ( -12.139 -0.000 8.430) 14.779 8.258 ( 7.023 0.000 -18.451) 19.743 8.841 ( 10.113 0.000 -11.010) 14.950 8.926 ( -2.464 -0.000 36.980) 37.062 9.189 ( -0.563 -0.000 -1.823) 1.908 9.260 ( -11.215 -0.000 15.805) 19.380 9.583 ( -2.927 -0.000 -5.875) 6.564 9.684 ( -2.065 -0.000 6.946) 7.246 10.111 ( -5.291 -0.000 -4.261) 6.794 10.369 ( 12.408 0.000 -16.165) 20.378 10.470 ( 12.749 0.000 -21.052) 24.611 10.588 ( -4.416 -0.000 19.208) 19.709 11.009 ( 2.825 0.000 -2.208) 3.586 11.033 ( -2.810 -0.000 -8.292) 8.755 11.427 ( 7.664 0.000 -21.034) 22.387 12.370 ( -10.647 -0.000 11.281) 15.512 12.637 ( 9.360 0.000 -0.845) 9.398 13.107 ( 13.942 0.000 10.495) 17.451 13.500 ( -17.124 -0.000 -5.439) 17.967 13.984 ( 6.258 0.000 6.234) 8.833 14.404 ( -5.308 -0.000 -22.888) 23.495 14.995 ( -3.240 -0.000 -0.964) 3.380 15.016 ( 15.484 0.000 0.184) 15.485 15.506 ( 4.177 0.000 -4.992) 6.509 15.531 ( -5.223 -0.000 -6.642) 8.449 16.837 ( -11.826 -0.000 6.937) 13.711 17.231 ( -2.657 -0.000 -11.553) 11.854 17.973 ( 5.471 0.000 19.731) 20.476 18.446 ( -6.656 -0.000 -1.994) 6.948 19.856 ( -12.300 -0.000 29.158) 31.646 20.270 ( -14.390 -0.000 9.254) 17.109 20.953 ( 25.263 0.000 -23.791) 34.702 21.070 ( 2.190 0.000 -26.970) 27.059 25.478 ( -8.462 -0.000 6.193) 10.486 25.739 ( 17.725 0.000 -6.846) 19.001 27.097 ( 8.889 0.000 22.094) 23.815 28.002 ( -11.710 -0.000 -22.198) 25.098 29.861 ( 7.269 0.000 10.826) 13.040 30.224 ( -11.908 -0.000 -7.717) 14.190 30.257 ( -2.977 -0.000 3.949) 4.945 30.416 ( -1.096 -0.000 -2.004) 2.284 31.271 ( 10.849 0.000 6.027) 12.411 31.461 ( -2.039 -0.000 -3.950) 4.445 32.199 ( 2.064 0.000 13.169) 13.330 32.697 ( -6.964 -0.000 -10.771) 12.826 ======================= Grid point 260 (131/186) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 0.606 -3.465 7.552) 8.331 3.566 ( 10.507 -0.006 10.855) 15.107 4.103 ( -6.878 5.458 5.625) 10.428 4.439 ( 19.809 -6.080 17.266) 26.972 4.891 ( -3.984 11.491 1.458) 12.249 5.333 ( -1.753 -2.757 2.098) 3.883 5.624 ( 14.317 2.235 -6.368) 15.828 5.688 ( -0.840 -4.239 -14.300) 14.938 6.284 ( -2.319 -3.531 3.441) 5.448 6.302 ( -0.259 -2.503 2.307) 3.414 6.746 ( 3.153 -8.344 18.152) 20.225 6.915 ( -2.984 5.660 1.374) 6.544 7.386 ( -5.392 -1.754 7.781) 9.628 7.664 ( 5.491 -6.012 1.697) 8.317 7.851 ( -1.736 -6.684 9.830) 12.013 8.033 ( -16.428 1.665 19.157) 25.291 8.311 ( 1.268 -10.697 -20.324) 23.002 8.880 ( 2.796 6.297 -2.811) 7.441 9.044 ( -3.792 1.607 33.235) 33.489 9.100 ( -8.314 0.117 4.508) 9.458 9.176 ( -12.465 -4.247 8.041) 15.430 9.497 ( -6.280 -1.314 -8.643) 10.764 9.748 ( -0.478 -6.654 3.977) 7.766 10.060 ( -3.773 -1.101 0.981) 4.051 10.350 ( 11.917 6.575 -12.996) 18.818 10.521 ( 9.981 3.241 -16.936) 19.923 10.779 ( -0.212 -10.832 9.938) 14.702 10.976 ( 6.507 1.323 -6.643) 9.393 11.051 ( 6.211 2.258 -7.857) 10.267 11.555 ( 14.620 -7.839 -19.020) 25.238 12.261 ( -8.857 2.354 6.865) 11.450 12.645 ( -0.207 11.720 1.644) 11.836 13.200 ( 2.231 7.793 6.255) 10.239 13.321 ( -0.862 0.610 0.291) 1.095 14.061 ( 2.907 2.603 5.812) 7.000 14.200 ( -3.836 3.803 -20.916) 21.602 14.950 ( -7.229 -5.260 -6.270) 10.920 15.243 ( 11.771 -2.752 -2.499) 12.344 15.334 ( -4.710 8.496 4.954) 10.905 15.628 ( 2.049 -8.806 -11.096) 14.313 16.710 ( -11.817 0.714 10.919) 16.106 17.153 ( -4.692 -1.990 -5.959) 7.841 18.040 ( -1.286 8.539 15.087) 17.383 18.210 ( -12.720 8.857 2.729) 15.738 19.807 ( -11.250 -0.488 24.251) 26.738 20.226 ( -2.666 -2.107 11.358) 11.855 21.024 ( 5.633 -2.301 -27.401) 28.068 21.201 ( 22.653 -2.209 -21.610) 31.385 25.389 ( -7.981 -0.146 4.462) 9.144 25.934 ( 16.248 0.153 -11.277) 19.778 27.295 ( 7.477 1.657 22.140) 23.427 27.727 ( -10.685 2.956 -20.323) 23.150 30.002 ( 0.031 -0.283 7.412) 7.417 30.040 ( -5.905 -1.798 -0.231) 6.177 30.256 ( -4.013 -2.530 4.546) 6.570 30.417 ( -0.313 -2.247 -2.271) 3.211 31.384 ( 3.325 2.461 0.022) 4.137 31.516 ( 8.637 -5.343 -2.236) 10.399 32.240 ( 0.131 3.823 15.273) 15.744 32.553 ( -8.113 -0.613 -11.306) 13.929 ======================= Grid point 261 (132/186) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -6.667 5.676 -11.213) 14.227 3.813 ( 13.168 -7.683 8.078) 17.254 4.027 ( 1.212 2.118 10.366) 10.649 4.719 ( 5.637 5.842 22.586) 24.001 4.910 ( 14.824 1.090 -6.276) 16.134 5.317 ( -2.436 -3.094 -2.974) 4.935 5.656 ( 8.509 2.376 -11.475) 14.482 5.719 ( 3.363 2.544 4.701) 6.315 6.325 ( 0.673 -3.432 -3.254) 4.776 6.351 ( 2.698 0.037 4.731) 5.446 6.823 ( -4.774 -2.511 1.086) 5.502 6.977 ( 1.931 -4.636 9.600) 10.834 7.392 ( -2.096 0.485 9.752) 9.986 7.764 ( -11.077 3.234 7.407) 13.712 7.934 ( -3.464 -14.286 20.146) 24.939 8.007 ( -0.670 -2.016 5.743) 6.123 8.554 ( -0.221 -27.923 -13.326) 30.941 8.757 ( -8.014 -2.011 10.324) 13.223 9.011 ( -4.998 2.819 -0.717) 5.783 9.041 ( -3.501 2.513 2.494) 4.979 9.122 ( -9.147 0.017 23.180) 24.920 9.463 ( -2.422 -6.303 -1.595) 6.938 9.830 ( -4.786 -7.046 0.457) 8.530 10.031 ( -1.334 4.644 10.478) 11.539 10.295 ( 4.502 8.642 -16.381) 19.060 10.615 ( 16.564 1.794 -11.505) 20.247 10.911 ( 1.005 -5.537 6.268) 8.424 11.069 ( 5.676 1.569 -7.483) 9.522 11.149 ( 12.014 -11.645 -8.780) 18.895 11.787 ( 12.610 -6.555 -20.004) 24.538 12.127 ( -4.916 6.475 3.301) 8.774 12.303 ( -10.641 20.017 -0.938) 22.689 13.192 ( 5.920 4.800 6.998) 10.347 13.321 ( 4.085 5.097 3.935) 7.626 13.910 ( -5.275 5.160 -20.112) 21.423 14.194 ( 6.235 0.398 5.202) 8.130 14.890 ( -11.353 -6.563 -6.619) 14.689 15.061 ( -9.688 11.802 4.792) 16.003 15.461 ( 5.666 -2.951 3.636) 7.351 15.740 ( 4.500 -8.833 -15.741) 18.603 16.611 ( -9.452 0.012 14.436) 17.255 17.142 ( -3.142 -5.519 0.242) 6.355 17.731 ( -16.514 13.341 7.158) 22.404 18.064 ( 0.888 11.035 8.426) 13.913 19.789 ( -8.441 -2.489 18.308) 20.314 20.305 ( 1.849 -0.795 15.246) 15.379 21.044 ( 8.555 -2.537 -27.958) 29.347 21.401 ( 16.367 -1.625 -21.612) 27.158 25.320 ( -3.833 0.936 4.091) 5.684 26.041 ( 6.738 -0.700 -14.885) 16.354 27.394 ( 0.376 4.252 17.022) 17.549 27.529 ( -0.854 1.935 -13.942) 14.102 29.872 ( -8.207 -0.306 -3.859) 9.075 30.175 ( 7.581 3.497 13.418) 15.803 30.276 ( -5.951 -9.688 5.239) 12.519 30.449 ( -1.720 -4.619 -0.708) 4.980 31.376 ( 0.634 0.477 -2.432) 2.558 31.677 ( 3.773 -2.413 1.620) 4.763 32.267 ( 1.804 1.527 15.026) 15.210 32.405 ( -4.049 2.054 -15.068) 15.737 ======================= Grid point 262 (133/186) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -7.007 11.821 -13.060) 18.958 4.062 ( 5.387 0.105 5.575) 7.753 4.208 ( 10.535 -11.348 9.807) 18.329 4.772 ( 2.317 10.592 13.157) 17.049 4.909 ( 0.308 -0.015 -2.909) 2.926 5.362 ( 8.634 -0.220 -8.681) 12.246 5.603 ( -5.993 5.802 5.678) 10.091 5.876 ( 12.977 -2.821 4.423) 13.998 6.394 ( 5.207 0.695 3.158) 6.130 6.409 ( 3.185 -3.818 -5.606) 7.493 6.766 ( -8.668 -1.397 -2.804) 9.217 7.096 ( 1.243 -5.988 7.837) 9.941 7.364 ( -3.441 3.432 9.786) 10.927 7.599 ( -9.878 1.922 9.556) 13.878 7.917 ( -4.648 8.506 12.656) 15.942 8.261 ( -4.363 -18.723 7.684) 20.703 8.541 ( -16.132 -3.029 0.158) 16.414 8.893 ( -7.691 -4.942 -3.830) 9.912 8.968 ( -2.606 -0.514 1.914) 3.274 9.099 ( 5.616 -6.560 12.790) 15.432 9.252 ( 0.644 -19.187 15.147) 24.454 9.562 ( 5.798 -3.846 4.235) 8.146 9.828 ( -7.527 5.092 10.333) 13.760 9.915 ( 0.368 1.835 -2.355) 3.008 10.229 ( 2.309 -1.403 -13.297) 13.569 10.686 ( 10.513 7.238 -4.860) 13.658 11.001 ( -8.188 1.087 -12.773) 15.211 11.081 ( 13.506 -0.131 1.798) 13.626 11.512 ( 8.024 -15.855 -4.424) 18.312 11.782 ( -7.290 2.618 -18.522) 20.076 11.890 ( -2.382 7.703 -6.952) 10.645 12.101 ( 12.554 10.348 2.906) 16.527 13.147 ( 3.387 15.641 8.335) 18.044 13.389 ( 3.373 -5.026 4.135) 7.330 13.698 ( -4.038 2.342 -22.402) 22.883 14.320 ( 9.196 -0.139 7.340) 11.767 14.744 ( -11.197 5.688 2.896) 12.889 14.839 ( -12.948 -3.731 -0.187) 13.476 15.500 ( -1.950 2.255 2.742) 4.051 15.876 ( 7.708 -7.790 -18.380) 21.399 16.606 ( -4.276 -3.308 16.892) 17.736 17.211 ( -3.618 -5.665 7.294) 9.919 17.432 ( -7.660 5.482 2.130) 9.658 17.919 ( 1.248 13.797 3.631) 14.321 19.803 ( -8.451 -3.994 18.740) 20.942 20.411 ( 3.470 0.545 17.402) 17.753 21.057 ( 10.322 2.321 -28.880) 30.757 21.494 ( 8.585 -1.646 -23.515) 25.087 25.306 ( 2.188 2.138 5.560) 6.346 25.997 ( -5.624 -1.677 -16.480) 17.494 27.348 ( -5.475 5.653 13.491) 15.619 27.525 ( 8.827 -0.530 -10.351) 13.613 29.779 ( -4.005 0.660 -1.840) 4.457 30.205 ( 3.300 4.267 6.034) 8.093 30.450 ( -2.457 -12.916 11.429) 17.421 30.495 ( -1.099 -4.031 1.811) 4.554 31.379 ( 0.331 -1.555 -0.823) 1.790 31.676 ( -6.897 0.742 5.865) 9.084 32.190 ( -6.922 6.272 -5.083) 10.635 32.442 ( 12.959 -2.007 -3.168) 13.491 ======================= Grid point 263 (134/186) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -4.303 9.993 -5.679) 12.273 4.108 ( -1.162 1.051 7.015) 7.188 4.467 ( 2.189 -0.257 7.143) 7.476 4.566 ( -6.915 9.991 9.633) 15.506 4.956 ( 0.006 -2.162 -5.870) 6.255 5.458 ( -4.478 5.500 6.199) 9.419 5.504 ( 13.085 -1.257 -2.285) 13.342 6.049 ( 7.651 0.457 6.582) 10.103 6.433 ( -1.062 0.080 -1.069) 1.510 6.466 ( 1.503 -3.619 -8.907) 9.731 6.664 ( -5.984 -0.587 2.637) 6.566 7.237 ( -0.171 -5.084 1.436) 5.286 7.341 ( 0.627 -0.049 10.047) 10.067 7.553 ( -3.763 -4.954 2.606) 6.744 7.776 ( -6.127 8.391 22.679) 24.945 8.300 ( -13.943 1.676 1.123) 14.088 8.415 ( -5.764 -2.396 7.977) 10.129 8.874 ( -7.918 -5.028 0.699) 9.406 8.978 ( -7.719 -1.341 9.020) 11.947 9.288 ( 7.777 -3.662 8.990) 12.438 9.401 ( 3.724 3.325 3.933) 6.355 9.646 ( -6.460 5.311 10.946) 13.775 9.719 ( 1.998 -0.654 10.476) 10.685 10.150 ( 2.886 -10.287 -6.481) 12.496 10.260 ( 10.376 -12.346 -15.761) 22.550 10.644 ( -12.338 16.002 -16.725) 26.230 10.735 ( 5.747 -3.339 5.327) 8.518 11.306 ( 11.418 -3.901 1.108) 12.117 11.498 ( 1.132 12.163 -7.307) 14.234 11.608 ( -7.030 -3.589 -16.782) 18.546 11.890 ( 2.451 4.348 -7.631) 9.119 12.228 ( 8.069 -6.241 2.325) 10.463 12.951 ( -1.348 15.023 8.763) 17.444 13.496 ( -1.678 -4.250 2.008) 4.991 13.584 ( 0.692 -2.907 -18.029) 18.275 14.493 ( 9.753 -0.839 3.098) 10.268 14.604 ( -2.310 0.382 9.042) 9.340 14.760 ( -10.775 -7.657 -4.233) 13.880 15.411 ( -4.652 4.103 3.467) 7.106 15.980 ( 7.777 -2.392 -19.295) 20.940 16.737 ( 0.278 -7.813 17.482) 19.150 17.210 ( -3.998 0.354 9.898) 10.681 17.433 ( 3.024 -5.482 -4.939) 7.975 17.757 ( -0.120 9.281 2.368) 9.579 19.834 ( -8.525 -3.762 21.859) 23.762 20.522 ( 2.522 0.274 18.211) 18.387 20.997 ( 12.078 9.152 -29.931) 33.549 21.489 ( 2.328 -2.299 -25.459) 25.668 25.361 ( 6.911 2.663 7.648) 10.646 25.831 ( -12.133 -1.823 -14.646) 19.106 27.195 ( -10.804 7.147 12.827) 18.230 27.682 ( 14.518 -4.628 -10.606) 18.566 29.723 ( -1.552 1.864 0.527) 2.482 30.222 ( 2.952 1.360 2.543) 4.127 30.542 ( 1.373 -0.370 4.230) 4.463 30.627 ( -5.332 -11.333 7.846) 14.779 31.440 ( 2.701 -3.616 1.663) 4.810 31.549 ( -13.138 0.998 6.551) 14.715 31.978 ( -4.759 8.483 -3.920) 10.487 32.633 ( 13.382 -1.966 -6.970) 15.216 ======================= Grid point 264 (135/186) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -0.615 3.305 7.225) 7.969 4.002 ( -11.293 11.032 11.077) 19.286 4.275 ( -10.939 7.183 20.086) 23.973 4.524 ( -4.348 1.551 -0.694) 4.668 4.903 ( -1.224 1.324 -10.351) 10.507 5.380 ( 0.189 5.862 6.383) 8.669 5.637 ( 4.507 -0.159 -3.039) 5.438 6.181 ( 7.379 -1.406 9.984) 12.494 6.374 ( -5.645 -1.067 -5.982) 8.294 6.476 ( -3.285 -3.071 -5.697) 7.258 6.660 ( 1.701 0.090 2.944) 3.401 7.217 ( -2.650 0.163 1.515) 3.057 7.381 ( -4.207 8.094 11.905) 14.998 7.598 ( -3.083 -8.065 -5.304) 10.133 7.836 ( 1.405 -5.726 28.705) 29.304 8.140 ( -1.766 -2.096 -7.252) 7.752 8.335 ( -11.453 8.219 16.293) 21.545 8.778 ( -3.164 3.891 -4.557) 6.776 8.884 ( -11.899 -0.796 21.611) 24.683 9.401 ( -1.517 0.000 4.075) 4.348 9.496 ( 9.490 3.347 0.951) 10.108 9.566 ( 2.201 4.907 2.187) 5.806 9.780 ( 1.815 2.086 9.370) 9.770 10.074 ( -8.337 6.001 -5.615) 11.707 10.259 ( 2.742 7.038 -18.973) 20.421 10.525 ( 6.418 -5.696 -9.532) 12.825 11.014 ( 0.840 -14.003 9.854) 17.143 11.210 ( -3.612 12.376 -5.713) 14.101 11.514 ( 6.691 1.315 -14.768) 16.266 11.633 ( -0.448 -10.998 -0.374) 11.013 11.672 ( 2.849 12.339 -8.133) 15.051 12.349 ( -7.219 -11.251 -6.560) 14.891 12.811 ( 0.946 12.296 15.366) 19.703 13.541 ( -0.186 -5.448 1.344) 5.614 13.631 ( 0.631 -9.915 -14.694) 17.737 14.552 ( -3.150 -4.114 1.147) 5.307 14.747 ( -0.563 -3.746 -5.457) 6.643 14.773 ( 11.989 -3.172 4.694) 13.260 15.324 ( -2.560 2.857 4.857) 6.189 15.981 ( 5.073 3.158 -17.628) 18.613 16.943 ( -0.771 -9.052 13.803) 16.524 17.250 ( 3.511 -1.881 7.289) 8.306 17.469 ( 5.380 4.790 -11.165) 13.287 17.774 ( -0.989 -11.672 8.686) 14.582 19.865 ( -8.024 -2.077 23.743) 25.148 20.605 ( -2.163 -0.481 16.558) 16.705 20.882 ( 14.772 12.809 -29.262) 35.193 21.418 ( -0.876 -1.879 -26.364) 26.446 25.459 ( 7.487 2.127 7.848) 11.053 25.640 ( -10.671 -0.704 -8.998) 13.976 26.999 ( -10.751 6.198 12.620) 17.700 27.915 ( 13.077 -7.451 -11.263) 18.798 29.687 ( 0.108 2.600 2.909) 3.904 30.259 ( 2.114 -0.686 0.421) 2.262 30.556 ( 1.303 3.125 0.767) 3.471 30.698 ( -6.583 -6.531 3.448) 9.894 31.315 ( -10.905 5.756 -1.651) 12.441 31.626 ( 0.914 -9.466 13.399) 16.431 31.803 ( -3.211 7.108 0.435) 7.812 32.777 ( 10.915 -0.558 -10.971) 15.486 ======================= Grid point 265 (136/186) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 3.575 -3.186 19.589) 20.166 3.645 ( -14.150 18.872 21.259) 31.754 4.194 ( -8.517 -0.788 15.922) 18.073 4.394 ( -9.036 2.524 0.260) 9.386 4.870 ( 2.091 -3.074 -7.653) 8.508 5.298 ( -0.350 9.866 10.207) 14.200 5.676 ( 2.148 -2.833 -2.118) 4.138 6.201 ( -11.574 5.604 -8.163) 15.232 6.310 ( 1.346 -2.818 -0.197) 3.129 6.455 ( -4.704 -3.434 -2.008) 6.161 6.694 ( 3.432 2.606 2.684) 5.077 7.069 ( -10.818 20.325 10.945) 25.494 7.279 ( 1.077 -7.926 3.225) 8.624 7.691 ( 1.298 -8.645 -7.924) 11.799 7.969 ( -6.201 -2.468 -0.152) 6.676 8.078 ( -14.025 6.489 31.961) 35.500 8.335 ( 11.068 -6.916 7.465) 15.035 8.763 ( 3.090 -1.312 2.062) 3.940 8.876 ( -7.457 -3.542 24.124) 25.498 9.190 ( -0.083 22.598 -16.184) 27.796 9.457 ( -1.670 0.251 3.534) 3.917 9.595 ( 0.497 4.430 2.883) 5.309 9.789 ( 3.794 2.346 0.911) 4.553 9.940 ( -0.729 0.398 0.379) 0.913 10.266 ( 10.297 -0.030 -13.002) 16.585 10.562 ( 4.559 6.055 -8.987) 11.757 10.950 ( -0.402 16.132 4.724) 16.815 11.052 ( -20.201 -9.123 -1.912) 22.248 11.314 ( -6.859 8.790 -5.399) 12.388 11.550 ( 4.266 -0.502 -19.984) 20.440 12.093 ( 12.427 -21.154 4.793) 24.998 12.401 ( -1.283 -9.028 -6.526) 11.213 12.713 ( -0.421 9.368 17.089) 19.493 13.660 ( 5.001 -4.935 -0.493) 7.043 13.724 ( -5.278 -12.737 -9.238) 16.596 14.553 ( -7.607 -7.950 -8.830) 14.108 14.795 ( 10.273 4.944 -0.860) 11.433 14.957 ( 8.998 0.140 2.764) 9.414 15.316 ( 0.806 -1.115 3.455) 3.719 15.882 ( 1.583 6.613 -15.853) 17.249 17.023 ( -7.368 -3.833 6.131) 10.323 17.337 ( 3.444 0.750 -10.368) 10.951 17.515 ( 9.872 -2.640 10.693) 14.791 18.063 ( 1.694 -19.585 7.917) 21.193 19.879 ( -7.924 -0.631 23.900) 25.188 20.599 ( -7.436 0.155 10.305) 12.709 20.792 ( 15.157 11.243 -24.613) 31.016 21.307 ( -1.527 -0.492 -26.500) 26.549 25.507 ( -1.782 -1.521 -5.651) 6.118 25.560 ( 2.832 3.277 9.418) 10.367 26.876 ( -4.740 3.420 15.132) 16.221 28.114 ( 6.112 -8.632 -14.693) 18.103 29.682 ( 2.631 2.553 5.506) 6.615 30.292 ( -0.260 -1.592 0.155) 1.620 30.483 ( 0.756 7.445 -2.790) 7.986 30.666 ( -8.999 -2.361 -4.412) 10.297 31.132 ( -4.527 3.941 5.806) 8.351 31.650 ( -5.813 3.982 2.284) 7.408 31.868 ( 4.188 -7.826 12.833) 15.603 32.840 ( 6.039 0.566 -12.983) 14.330 ======================= Grid point 266 (137/186) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 7.998 -6.725 25.341) 27.411 3.364 ( -2.945 15.296 25.016) 29.469 4.161 ( -5.333 -0.298 2.305) 5.817 4.266 ( -9.844 -0.259 13.756) 16.917 5.011 ( 5.332 -12.074 -1.088) 13.244 5.220 ( 1.487 7.212 14.794) 16.525 5.688 ( -6.648 4.472 -5.885) 9.941 5.882 ( -12.612 0.704 -17.525) 21.603 6.320 ( -1.181 0.380 -0.847) 1.502 6.374 ( -4.994 6.116 -0.242) 7.900 6.594 ( -1.846 10.115 8.387) 13.269 6.904 ( 2.328 -0.897 5.484) 6.025 7.416 ( 1.491 -5.684 1.220) 6.002 7.690 ( -12.610 3.694 4.127) 13.773 7.874 ( -5.674 -6.100 9.829) 12.885 8.130 ( -0.545 -4.012 12.265) 12.916 8.422 ( 1.599 9.076 -4.744) 10.366 8.834 ( -1.306 7.170 9.544) 12.008 8.838 ( 0.408 3.506 9.758) 10.376 9.072 ( 5.351 -9.983 0.503) 11.338 9.365 ( -4.739 6.277 5.076) 9.361 9.608 ( 0.990 -0.082 4.800) 4.901 9.732 ( -2.093 5.861 3.947) 7.370 10.045 ( 8.238 -7.593 -6.433) 12.919 10.366 ( 7.714 -1.047 -10.430) 13.015 10.397 ( 2.752 9.721 -16.429) 19.286 10.736 ( -5.771 12.476 11.158) 17.705 10.969 ( -8.034 -7.908 -1.822) 11.419 11.145 ( -5.613 1.453 -7.577) 9.541 11.485 ( 3.051 3.030 -21.081) 21.515 12.411 ( -4.007 -6.195 10.908) 13.169 12.502 ( 4.019 -4.296 -2.561) 6.416 12.812 ( 14.194 -4.601 11.000) 18.538 13.686 ( -12.938 -7.125 -7.795) 16.701 13.847 ( 7.217 -3.254 3.801) 8.782 14.513 ( -6.008 -6.526 -18.578) 20.587 14.866 ( 14.178 6.478 0.595) 15.599 15.023 ( 2.812 2.935 3.265) 5.214 15.396 ( 2.283 -5.438 -0.499) 5.919 15.711 ( -1.644 7.759 -12.919) 15.159 16.955 ( -10.532 -1.160 4.522) 11.520 17.300 ( 1.484 0.607 -15.000) 15.085 17.766 ( 8.140 -4.009 19.509) 21.516 18.369 ( 1.093 -13.944 2.585) 14.223 19.876 ( -9.079 -0.375 25.281) 26.865 20.476 ( -18.507 0.283 11.503) 21.792 20.783 ( 22.312 6.964 -26.467) 35.310 21.179 ( -0.382 0.650 -26.583) 26.593 25.530 ( -0.030 -0.594 4.136) 4.179 25.580 ( 6.028 1.589 0.000) 6.234 26.918 ( 4.140 0.622 19.256) 19.706 28.164 ( -4.487 -5.801 -19.915) 21.222 29.739 ( 6.080 1.423 8.388) 10.457 30.285 ( -4.312 -1.003 1.281) 4.609 30.377 ( 3.845 8.750 -4.261) 10.464 30.509 ( -13.690 -2.379 -6.045) 15.153 31.138 ( 5.131 1.313 8.571) 10.075 31.535 ( -4.345 2.628 -0.785) 5.138 32.070 ( 3.376 -5.081 12.789) 14.170 32.809 ( -0.941 0.880 -12.399) 12.466 ======================= Grid point 268 (138/186) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 2.836 0.000 0.748) 2.933 3.731 ( 6.467 0.000 6.477) 9.153 4.123 ( 0.592 0.000 3.930) 3.974 4.734 ( 22.070 0.000 11.299) 24.794 4.982 ( 1.959 0.000 5.854) 6.173 5.387 ( 4.592 0.000 8.564) 9.717 5.520 ( -3.858 -0.000 -18.874) 19.264 5.902 ( 22.016 0.000 -2.503) 22.158 6.265 ( 0.087 0.000 5.828) 5.828 6.272 ( -0.556 -0.000 3.665) 3.706 6.840 ( 4.759 0.000 17.359) 17.999 6.922 ( -3.340 -0.000 -7.634) 8.333 7.281 ( -3.828 -0.000 6.934) 7.920 7.674 ( -8.792 -0.000 6.522) 10.947 7.837 ( 16.015 0.000 -0.382) 16.020 7.900 ( -17.785 -0.000 25.291) 30.918 8.196 ( -0.696 -0.000 -14.439) 14.456 8.808 ( -30.280 -0.000 22.210) 37.552 9.033 ( 6.440 0.000 -12.511) 14.071 9.059 ( -4.096 -0.000 3.211) 5.205 9.144 ( -7.159 -0.000 37.081) 37.766 9.343 ( -8.577 -0.000 -11.299) 14.186 9.707 ( 1.592 0.000 -1.189) 1.987 10.033 ( -0.713 -0.000 2.179) 2.292 10.406 ( 5.132 0.000 -24.853) 25.377 10.694 ( 14.613 0.000 -10.583) 18.042 10.736 ( 2.504 0.000 6.042) 6.540 11.007 ( 5.866 0.000 -8.369) 10.221 11.234 ( 13.369 0.000 2.634) 13.626 11.630 ( 18.792 0.000 -20.039) 27.472 12.217 ( -3.903 -0.000 5.454) 6.707 12.636 ( -17.247 -0.000 0.741) 17.263 13.203 ( 2.701 0.000 -0.766) 2.808 13.479 ( 7.063 0.000 12.207) 14.103 14.038 ( -7.382 -0.000 -25.011) 26.078 14.145 ( 0.533 0.000 10.874) 10.887 14.783 ( -6.509 -0.000 -8.424) 10.646 15.378 ( 11.429 0.000 -4.985) 12.469 15.383 ( -4.852 -0.000 -0.241) 4.858 15.507 ( 0.675 0.000 -3.285) 3.353 16.621 ( -9.941 -0.000 13.171) 16.502 17.042 ( -6.931 -0.000 0.815) 6.978 17.991 ( -25.912 -0.000 6.332) 26.675 18.186 ( -0.507 -0.000 14.689) 14.698 19.746 ( -6.788 -0.000 8.625) 10.976 20.312 ( 5.966 0.000 18.327) 19.274 20.961 ( 5.809 0.000 -27.958) 28.555 21.395 ( 20.275 0.000 -19.431) 28.082 25.334 ( -2.929 -0.000 4.794) 5.618 26.029 ( 5.987 0.000 -16.183) 17.255 27.475 ( 2.456 0.000 21.730) 21.869 27.559 ( -3.815 -0.000 -18.958) 19.338 29.836 ( -10.630 -0.000 -4.939) 11.721 30.079 ( -1.662 -0.000 7.684) 7.862 30.267 ( 2.657 0.000 12.655) 12.931 30.397 ( 0.390 0.000 -0.791) 0.882 31.423 ( 3.213 0.000 -9.229) 9.773 31.588 ( 5.429 0.000 4.083) 6.793 32.313 ( -2.643 -0.000 14.330) 14.571 32.425 ( -2.456 -0.000 -10.192) 10.484 ======================= Grid point 269 (139/186) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 5.009 8.839 -5.847) 11.722 3.882 ( 9.156 -7.138 6.984) 13.548 4.166 ( 5.520 3.260 6.889) 9.410 4.969 ( 7.213 7.751 3.761) 11.236 5.081 ( 15.477 -4.391 -6.578) 17.381 5.311 ( -1.306 8.174 1.292) 8.377 5.569 ( -0.870 -6.485 -1.678) 6.755 6.073 ( 18.574 11.257 0.328) 21.721 6.273 ( -0.130 -1.736 3.444) 3.859 6.388 ( 4.479 -3.300 5.195) 7.612 6.767 ( -4.582 3.306 -2.045) 6.009 6.995 ( 0.245 -4.504 8.248) 9.400 7.399 ( 3.080 -5.258 8.471) 10.435 7.629 ( -7.315 -12.045 -4.258) 14.722 7.761 ( -11.022 6.755 26.340) 29.341 8.096 ( 2.874 2.153 3.729) 5.177 8.216 ( 5.678 -19.115 -3.173) 20.192 8.530 ( -25.165 -2.223 20.454) 32.505 8.953 ( -4.818 -0.990 -0.275) 4.927 9.061 ( -0.341 5.310 -5.627) 7.744 9.166 ( -7.026 1.013 28.260) 29.138 9.295 ( -0.953 -9.542 -3.099) 10.078 9.718 ( -0.866 -1.708 -3.981) 4.417 10.050 ( -4.365 -1.962 7.973) 9.299 10.338 ( 2.637 3.508 -21.732) 22.171 10.759 ( 9.862 -1.196 -8.590) 13.133 10.919 ( 8.087 -6.336 -7.463) 12.698 11.079 ( 9.429 -0.427 -5.113) 10.734 11.350 ( 13.225 9.306 3.951) 16.647 11.803 ( 10.811 -1.204 -20.463) 23.175 12.191 ( -1.233 5.327 3.311) 6.392 12.335 ( -10.950 4.570 0.755) 11.890 13.262 ( 3.928 -0.527 1.067) 4.105 13.550 ( 3.320 6.368 11.037) 13.168 13.798 ( -7.028 3.766 -23.507) 24.822 14.250 ( 3.064 -4.884 11.871) 13.197 14.671 ( -8.306 -0.729 -5.765) 10.137 15.156 ( -5.624 14.907 -0.159) 15.933 15.534 ( 6.879 -2.926 -0.457) 7.489 15.593 ( 2.192 -8.114 -7.978) 11.588 16.565 ( -6.340 0.103 13.999) 15.368 17.010 ( -5.741 -5.391 6.650) 10.307 17.623 ( -25.277 5.049 9.307) 27.405 18.188 ( -3.394 3.699 9.841) 11.048 19.698 ( -5.519 -1.335 1.883) 5.982 20.483 ( 8.732 2.239 20.599) 22.485 20.953 ( 5.376 -5.048 -29.071) 29.992 21.536 ( 14.996 2.082 -19.949) 25.044 25.353 ( 3.089 0.909 6.392) 7.158 25.958 ( -5.958 -0.792 -17.978) 18.956 27.475 ( 1.845 2.984 -3.846) 5.206 27.539 ( -1.024 0.420 5.358) 5.471 29.719 ( -7.542 -2.604 -3.316) 8.641 30.083 ( -7.412 -6.252 3.848) 10.432 30.377 ( 6.784 2.690 13.758) 15.573 30.435 ( 3.827 -1.058 5.795) 7.025 31.407 ( 2.893 2.821 -6.842) 7.946 31.633 ( -5.776 -3.323 4.120) 7.834 32.307 ( -5.472 1.731 10.725) 12.164 32.415 ( 9.528 0.231 -11.672) 15.069 ======================= Grid point 270 (140/186) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 7.284 18.138 -8.090) 21.154 4.158 ( 6.580 -1.490 2.231) 7.106 4.258 ( 7.944 -6.118 12.925) 16.358 4.939 ( 2.571 5.893 -7.622) 9.972 5.058 ( 3.319 16.483 2.386) 16.982 5.346 ( 4.142 -6.199 -5.634) 9.345 5.600 ( -0.082 -1.022 -0.244) 1.054 6.122 ( 9.725 8.261 4.098) 13.402 6.345 ( 2.765 -3.718 1.074) 4.757 6.485 ( 2.550 0.414 0.808) 2.707 6.644 ( -6.400 0.663 -1.202) 6.545 7.106 ( 2.012 -3.181 14.766) 15.238 7.389 ( -6.256 3.175 2.533) 7.459 7.616 ( -8.518 7.641 19.498) 22.608 7.904 ( 4.055 -25.348 -2.375) 25.780 8.065 ( -1.002 6.315 12.703) 14.222 8.346 ( -14.748 0.085 12.842) 19.556 8.564 ( -4.754 -19.645 -7.791) 21.661 8.959 ( -3.732 3.255 5.972) 7.758 9.094 ( 11.251 -12.523 7.246) 18.328 9.177 ( -5.315 -2.058 18.562) 19.417 9.489 ( 2.557 -13.266 2.427) 13.726 9.738 ( 0.448 -6.265 -5.174) 8.138 9.990 ( -8.846 5.328 14.809) 18.053 10.217 ( 3.175 4.866 -17.020) 17.985 10.861 ( 5.816 1.627 -9.703) 11.429 10.919 ( -4.033 7.087 -11.565) 14.151 11.244 ( 12.989 -3.547 -3.027) 13.801 11.415 ( 1.238 -4.761 -1.736) 5.217 11.696 ( -0.057 6.050 -13.495) 14.790 12.029 ( 4.244 11.906 -5.271) 13.695 12.382 ( 12.605 3.462 2.045) 13.231 13.310 ( -2.076 -1.120 -3.318) 4.071 13.483 ( 1.229 10.223 8.833) 13.567 13.593 ( -1.973 2.277 -18.291) 18.538 14.453 ( 8.618 -2.728 13.098) 15.915 14.537 ( -12.828 -5.166 -2.946) 14.140 14.857 ( -5.109 16.275 5.555) 17.940 15.546 ( -1.958 5.052 3.277) 6.332 15.767 ( 8.120 -11.603 -16.422) 21.685 16.586 ( -1.765 -2.353 14.131) 14.434 17.081 ( -5.364 -7.691 9.851) 13.600 17.334 ( -16.147 -0.658 6.907) 17.574 18.071 ( -4.737 8.220 2.716) 9.869 19.662 ( -7.994 -4.474 5.438) 10.654 20.633 ( 8.323 4.799 20.396) 22.546 20.990 ( 4.592 -7.376 -30.207) 31.432 21.558 ( 10.397 5.474 -22.513) 25.395 25.433 ( 7.033 2.050 8.131) 10.945 25.780 ( -11.158 -1.487 -15.821) 19.417 27.386 ( -10.138 5.533 12.365) 16.920 27.585 ( 10.320 -2.174 -13.444) 17.087 29.671 ( -5.764 -3.970 -1.764) 7.218 30.096 ( -8.958 -8.575 1.620) 12.506 30.482 ( 7.473 1.705 7.980) 11.065 30.568 ( 7.631 0.656 15.399) 17.198 31.376 ( -1.151 0.711 1.965) 2.385 31.578 ( -8.032 -1.067 0.410) 8.113 32.199 ( -5.734 5.936 2.555) 8.640 32.551 ( 13.020 -2.649 -10.426) 16.889 ======================= Grid point 271 (141/186) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 12.278 20.951 -5.604) 24.922 4.157 ( -1.211 4.335 4.399) 6.293 4.515 ( 4.165 -4.776 8.040) 10.237 4.704 ( -7.185 15.691 3.487) 17.606 4.948 ( 0.516 5.985 -4.455) 7.479 5.402 ( -3.183 -3.794 -5.877) 7.685 5.642 ( 6.360 1.289 2.034) 6.800 6.154 ( 3.284 0.010 -1.438) 3.585 6.389 ( -0.665 3.206 -0.599) 3.329 6.404 ( -5.307 -1.420 -2.862) 6.194 6.668 ( 4.288 -0.324 3.309) 5.426 7.228 ( 1.514 -0.255 6.021) 6.214 7.337 ( -0.257 -5.563 3.939) 6.821 7.507 ( -4.797 3.788 15.480) 16.643 7.977 ( -2.335 9.669 16.221) 19.028 8.173 ( -15.063 -0.786 17.748) 23.292 8.344 ( 10.869 -11.563 2.999) 16.151 8.664 ( -4.065 -9.301 -10.331) 14.483 8.908 ( -6.032 0.379 13.061) 14.392 9.253 ( -3.640 -8.045 12.404) 15.226 9.467 ( 6.888 -10.119 5.622) 13.470 9.682 ( -0.221 -5.640 4.378) 7.143 9.750 ( -8.175 10.168 14.099) 19.210 10.017 ( 8.120 -15.425 0.054) 17.432 10.179 ( 6.406 -2.529 -13.502) 15.157 10.588 ( -12.343 9.396 -7.459) 17.213 10.786 ( -1.310 7.555 -8.492) 11.441 11.328 ( -2.292 -3.536 -17.356) 17.861 11.520 ( 9.420 -4.752 -6.664) 12.479 11.720 ( 8.036 -0.694 -1.054) 8.135 11.908 ( 8.566 12.492 -7.664) 16.976 12.395 ( 1.261 13.697 -0.495) 13.764 13.171 ( -1.035 7.640 1.140) 7.794 13.394 ( -3.274 3.577 -4.457) 6.587 13.562 ( 4.382 0.344 -6.368) 7.738 14.403 ( -13.276 -6.287 -4.637) 15.404 14.660 ( -1.131 4.679 13.061) 13.920 14.738 ( 14.497 -1.483 9.591) 17.446 15.424 ( -5.305 4.663 1.606) 7.243 15.953 ( 9.594 -6.416 -18.687) 21.964 16.698 ( -0.358 -6.035 15.466) 16.606 17.127 ( -6.946 -6.455 8.591) 12.795 17.310 ( -4.169 -8.666 3.253) 10.151 17.869 ( -5.025 9.373 -3.591) 11.225 19.673 ( -10.433 -8.172 13.874) 19.186 20.723 ( 4.831 6.512 18.956) 20.618 21.020 ( 4.925 -5.481 -30.837) 31.706 21.480 ( 8.060 7.552 -25.093) 27.416 25.511 ( 2.444 1.595 1.329) 3.207 25.626 ( -4.447 -0.490 -3.634) 5.764 27.188 ( -12.644 6.248 11.146) 17.976 27.731 ( 11.166 -5.004 -13.766) 18.418 29.660 ( -4.307 -4.064 0.006) 5.922 30.113 ( -8.100 -8.990 -0.313) 12.105 30.565 ( 4.556 3.026 5.905) 8.048 30.723 ( 9.277 2.670 14.877) 17.735 31.384 ( -9.525 -3.733 14.598) 17.826 31.484 ( 0.785 2.219 -5.497) 5.980 32.028 ( -5.129 7.664 0.129) 9.223 32.707 ( 10.632 -3.450 -13.631) 17.628 ======================= Grid point 272 (142/186) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 17.360 17.666 1.551) 24.816 4.038 ( -7.779 7.136 3.838) 11.232 4.393 ( -9.274 13.769 18.039) 24.515 4.540 ( -4.036 6.549 4.579) 8.952 4.831 ( -3.105 2.230 -9.922) 10.633 5.384 ( -3.530 -3.832 -3.950) 6.538 5.677 ( 1.477 2.752 0.174) 3.129 6.180 ( -1.359 -4.692 -10.014) 11.142 6.330 ( -6.790 0.643 3.526) 7.678 6.363 ( 1.089 -0.979 -3.853) 4.122 6.754 ( 7.475 1.080 2.762) 8.042 7.180 ( -4.844 4.930 3.783) 7.879 7.455 ( -2.119 -4.000 2.601) 5.220 7.556 ( 6.067 1.207 12.455) 13.907 7.936 ( 0.179 2.649 18.485) 18.675 8.096 ( -5.779 -2.485 21.024) 21.945 8.511 ( 6.052 12.158 8.407) 15.973 8.658 ( -6.541 -4.756 -5.924) 10.026 8.894 ( -2.751 1.489 19.443) 19.693 9.390 ( -3.261 -5.081 13.948) 15.199 9.518 ( 0.325 -0.209 -5.640) 5.654 9.656 ( 0.976 -1.654 5.996) 6.296 9.773 ( -6.531 -5.320 9.204) 12.477 10.047 ( -8.200 7.152 -2.140) 11.090 10.318 ( 4.906 6.189 -19.961) 21.467 10.473 ( 9.913 -9.422 -8.319) 16.008 10.723 ( -6.442 -10.182 0.913) 12.083 11.335 ( 3.750 -6.400 -15.456) 17.144 11.566 ( 7.313 12.140 -2.853) 14.457 11.797 ( 13.137 7.378 -2.902) 15.344 11.863 ( -0.769 8.088 -9.571) 12.554 12.041 ( -12.344 2.681 -4.742) 13.493 13.069 ( -1.927 14.611 14.295) 20.532 13.372 ( 0.923 -9.407 -9.572) 13.453 13.578 ( 4.242 0.158 -5.830) 7.211 14.315 ( -12.108 -8.247 -6.235) 15.921 14.752 ( 6.962 -3.920 8.148) 11.412 14.999 ( 15.988 0.515 7.749) 17.775 15.320 ( -4.664 1.277 2.510) 5.448 16.023 ( 7.388 1.591 -18.874) 20.331 16.849 ( -3.542 -7.460 14.166) 16.397 17.214 ( -1.202 -8.804 4.472) 9.948 17.423 ( -1.333 -10.283 -0.047) 10.369 17.686 ( -4.167 2.532 -2.738) 5.592 19.731 ( -11.433 -8.842 21.403) 25.826 20.716 ( -1.828 7.466 15.670) 17.454 21.022 ( 7.423 -1.097 -29.644) 30.579 21.359 ( 7.070 7.413 -26.695) 28.592 25.469 ( -0.552 -0.789 -6.645) 6.714 25.645 ( 1.824 2.129 8.572) 9.018 27.007 ( -8.019 5.142 11.985) 15.310 27.879 ( 6.026 -6.839 -14.346) 16.997 29.680 ( -1.370 -3.390 2.509) 4.434 30.141 ( -7.016 -9.044 -1.479) 11.542 30.553 ( -0.353 4.690 3.940) 6.136 30.836 ( 9.095 6.666 7.848) 13.739 31.263 ( -8.579 3.905 4.639) 10.505 31.585 ( 2.334 -5.742 11.561) 13.118 31.865 ( -3.009 6.262 0.736) 6.986 32.802 ( 6.154 -2.936 -17.089) 18.399 ======================= Grid point 273 (143/186) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 19.794 10.774 11.049) 25.099 3.793 ( -9.556 11.405 7.865) 16.830 4.236 ( -5.160 6.431 22.242) 23.721 4.345 ( -9.223 7.896 3.944) 12.766 4.753 ( -2.175 -2.423 -8.825) 9.406 5.363 ( -2.176 -1.578 -6.679) 7.200 5.668 ( 1.549 -0.376 0.201) 1.607 6.076 ( -11.280 4.847 -11.633) 16.914 6.282 ( -2.858 -2.441 1.578) 4.076 6.364 ( -0.091 -1.324 -5.255) 5.420 6.834 ( 6.210 4.303 5.115) 9.124 7.085 ( -4.884 -0.200 -0.651) 4.931 7.386 ( -5.597 8.538 19.036) 21.601 7.658 ( 4.975 -0.696 7.584) 9.097 7.948 ( -0.913 6.693 3.970) 7.835 8.183 ( -6.390 5.755 30.655) 31.838 8.449 ( 8.128 3.335 9.638) 13.041 8.673 ( 1.485 -10.045 -1.261) 10.233 8.954 ( 0.575 1.946 23.154) 23.243 9.404 ( 0.275 1.939 -2.426) 3.118 9.470 ( -6.671 18.877 -15.170) 25.120 9.600 ( -2.062 -2.393 7.236) 7.895 9.778 ( -9.653 -3.177 9.593) 13.975 9.911 ( 2.663 -6.311 -1.109) 6.939 10.325 ( 7.885 -0.689 -12.030) 14.400 10.616 ( 1.575 2.765 -9.237) 9.769 10.711 ( -7.610 -7.162 -2.182) 10.676 11.265 ( -0.831 17.437 -0.882) 17.479 11.337 ( -5.511 13.784 -16.873) 22.473 11.623 ( 8.716 7.258 -9.384) 14.721 11.999 ( 10.843 -13.744 2.958) 17.755 12.163 ( -0.528 -17.079 -4.649) 17.709 12.882 ( -5.063 8.986 14.567) 17.849 13.449 ( -2.704 -6.476 -12.666) 14.480 13.695 ( 8.802 -5.335 1.999) 10.485 14.272 ( -8.273 -9.012 -11.237) 16.611 14.945 ( 6.999 -4.048 5.916) 10.019 15.170 ( 12.929 5.999 2.303) 14.438 15.281 ( -3.957 -1.279 4.135) 5.864 15.951 ( 3.862 7.277 -18.619) 20.361 16.888 ( -10.061 -3.544 9.997) 14.619 17.304 ( -0.022 -2.547 -8.674) 9.040 17.575 ( 5.530 -7.847 5.049) 10.846 17.777 ( -4.180 -20.121 7.233) 21.786 19.792 ( -11.394 -6.243 25.991) 29.058 20.587 ( -9.619 7.660 12.371) 17.442 21.008 ( 11.527 3.064 -27.656) 30.118 21.239 ( 7.067 6.106 -27.260) 28.815 25.509 ( 6.528 -0.630 -1.763) 6.791 25.637 ( -1.754 1.696 4.273) 4.920 26.960 ( 0.902 2.341 15.754) 15.952 27.945 ( -2.379 -7.355 -16.624) 18.333 29.750 ( 3.111 -2.267 6.098) 7.211 30.170 ( -6.871 -8.170 -1.976) 10.857 30.473 ( -2.997 4.636 3.077) 6.320 30.762 ( 0.323 12.975 -4.352) 13.689 31.204 ( 3.225 2.905 10.280) 11.159 31.633 ( -4.497 2.302 1.527) 5.277 31.886 ( 3.831 -4.679 13.701) 14.976 32.806 ( 0.383 -1.685 -18.279) 18.360 ======================= Grid point 274 (144/186) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 18.003 4.188 17.417) 25.397 3.586 ( -4.296 8.460 8.813) 12.949 4.152 ( -11.701 -0.427 5.749) 13.044 4.259 ( 6.704 5.037 19.948) 21.638 4.779 ( -2.580 -9.174 -4.444) 10.515 5.359 ( 3.574 -0.433 -5.642) 6.693 5.662 ( -5.239 4.555 -3.421) 7.739 5.778 ( -4.028 4.288 -10.248) 11.817 6.297 ( -1.110 -1.410 1.581) 2.392 6.356 ( -0.863 0.194 -3.590) 3.697 6.831 ( 2.345 8.743 9.557) 13.163 6.935 ( -5.719 7.755 5.004) 10.857 7.371 ( -1.592 -1.727 11.913) 12.142 7.760 ( 0.617 11.295 14.652) 18.511 7.800 ( 1.750 -3.067 -0.988) 3.667 8.134 ( -11.215 2.481 24.892) 27.414 8.518 ( 5.368 4.682 -2.274) 7.477 8.891 ( -0.600 -1.316 5.753) 5.932 8.973 ( -4.453 12.525 -0.222) 13.295 9.060 ( 3.462 -3.015 5.078) 6.846 9.357 ( -8.104 2.376 2.862) 8.917 9.629 ( -4.170 3.224 4.741) 7.089 9.733 ( -1.912 -3.853 8.570) 9.589 10.094 ( 10.659 -4.325 -5.483) 12.743 10.284 ( -13.385 5.029 -2.527) 14.520 10.444 ( 7.246 -0.936 -18.524) 19.913 10.833 ( 6.693 -4.914 -2.630) 8.709 10.978 ( -6.065 14.374 8.318) 17.680 11.106 ( 3.251 7.279 -18.436) 20.085 11.589 ( 11.172 8.573 -16.473) 21.672 12.271 ( -5.111 -9.301 6.693) 12.547 12.408 ( 2.741 -15.642 -0.736) 15.897 12.917 ( 7.225 -6.411 11.848) 15.287 13.409 ( -7.844 -4.189 -8.823) 12.527 13.908 ( 8.182 -4.815 4.700) 10.593 14.250 ( -5.162 -7.928 -17.753) 20.116 15.066 ( 2.384 0.727 2.233) 3.346 15.193 ( 9.135 8.492 -2.393) 12.700 15.280 ( -5.546 -4.673 5.819) 9.299 15.786 ( 2.136 9.097 -16.615) 19.062 16.811 ( -12.052 -1.636 9.120) 15.202 17.253 ( -1.227 1.169 -11.440) 11.564 17.821 ( 3.949 -9.582 14.423) 17.761 18.077 ( -5.240 -22.149 3.395) 23.012 19.824 ( -11.139 -2.708 29.010) 31.193 20.367 ( -12.609 6.896 9.813) 17.402 21.033 ( 14.715 1.664 -25.931) 29.862 21.143 ( 10.212 6.722 -26.356) 29.053 25.495 ( -8.640 0.962 5.332) 10.198 25.732 ( 16.843 -0.569 -6.328) 18.001 27.083 ( 7.230 -0.594 19.809) 21.096 27.886 ( -9.616 -6.078 -19.340) 22.437 29.874 ( 6.549 -0.764 10.274) 12.207 30.162 ( -8.828 -5.223 -3.096) 10.714 30.369 ( -5.136 4.195 2.203) 6.987 30.531 ( -1.343 11.359 -4.728) 12.376 31.288 ( 6.990 1.839 8.466) 11.132 31.541 ( 0.236 3.855 -4.050) 5.597 32.081 ( 2.261 -6.149 16.483) 17.738 32.711 ( -5.501 -0.130 -15.804) 16.734 ======================= Grid point 277 (145/186) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 13.116 0.000 -3.151) 13.489 3.934 ( 5.352 0.000 10.616) 11.889 4.279 ( 3.202 0.000 6.087) 6.878 5.104 ( 9.846 0.000 -26.471) 28.243 5.180 ( 11.309 0.000 -6.826) 13.210 5.399 ( 2.297 0.000 5.017) 5.518 5.560 ( 1.043 0.000 9.457) 9.514 6.272 ( 2.192 0.000 8.641) 8.915 6.344 ( 3.325 0.000 5.463) 6.395 6.496 ( 5.773 0.000 -0.794) 5.827 6.804 ( 1.375 0.000 -7.925) 8.044 6.873 ( 1.515 0.000 4.073) 4.346 7.388 ( -5.008 -0.000 0.190) 5.011 7.476 ( -2.970 -0.000 10.676) 11.082 7.834 ( -13.025 -0.000 38.294) 40.448 8.004 ( -4.133 -0.000 -12.336) 13.010 8.234 ( 8.964 0.000 -2.034) 9.192 8.356 ( -11.233 -0.000 30.128) 32.154 8.902 ( 0.227 0.000 3.818) 3.825 9.042 ( -7.790 -0.000 9.248) 12.091 9.185 ( -6.650 -0.000 12.966) 14.572 9.253 ( 10.159 0.000 -5.307) 11.462 9.681 ( -0.797 -0.000 -8.436) 8.474 9.988 ( -6.890 -0.000 10.558) 12.607 10.323 ( 5.022 0.000 -21.063) 21.654 10.771 ( -0.158 -0.000 -0.958) 0.971 10.911 ( 8.076 0.000 -21.747) 23.198 11.272 ( 17.140 0.000 -2.636) 17.341 11.598 ( 8.171 0.000 0.889) 8.220 11.751 ( -12.218 -0.000 -13.162) 17.959 12.260 ( 7.411 0.000 -2.319) 7.765 12.326 ( 8.859 0.000 5.643) 10.504 13.279 ( -0.926 -0.000 -4.627) 4.719 13.636 ( -2.423 -0.000 10.313) 10.593 13.648 ( -5.716 -0.000 -17.779) 18.675 14.313 ( 3.993 0.000 13.985) 14.544 14.558 ( -7.579 -0.000 -0.637) 7.606 15.322 ( 3.126 0.000 0.687) 3.201 15.409 ( 4.989 0.000 -17.761) 18.448 15.644 ( 1.807 0.000 8.222) 8.418 16.565 ( -1.912 -0.000 11.251) 11.412 16.926 ( -5.778 -0.000 11.980) 13.300 17.327 ( -28.677 -0.000 10.383) 30.499 18.180 ( -7.826 -0.000 9.244) 12.111 19.622 ( -3.812 -0.000 -6.517) 7.550 20.715 ( 9.533 0.000 20.639) 22.734 20.829 ( 1.943 0.000 -31.490) 31.550 21.654 ( 12.279 0.000 -19.707) 23.219 25.465 ( 7.216 0.000 9.001) 11.536 25.756 ( -10.823 -0.000 -16.921) 20.086 27.486 ( -12.521 -0.000 14.382) 19.069 27.543 ( 10.490 0.000 -16.891) 19.884 29.598 ( -5.929 -0.000 -2.259) 6.345 29.944 ( -8.610 -0.000 2.546) 8.978 30.526 ( 8.849 0.000 6.719) 11.111 30.576 ( 7.754 0.000 19.384) 20.877 31.458 ( 5.546 0.000 -10.979) 12.300 31.492 ( -13.659 -0.000 9.559) 16.672 32.290 ( -7.033 -0.000 10.953) 13.016 32.512 ( 13.531 0.000 -16.213) 21.117 ======================= Grid point 278 (146/186) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 11.160 16.214 -0.722) 19.696 4.171 ( 5.146 -12.015 8.565) 15.627 4.306 ( -0.754 1.019 5.102) 5.257 5.076 ( 9.155 8.403 -16.820) 20.912 5.273 ( 5.791 -0.327 -14.682) 15.786 5.345 ( -1.763 12.005 6.288) 13.666 5.619 ( 5.683 -1.601 -1.981) 6.228 6.287 ( -0.279 4.156 7.054) 8.192 6.399 ( -2.159 2.732 2.037) 4.034 6.459 ( -0.231 -0.648 -1.166) 1.353 6.706 ( 7.159 6.609 3.208) 10.258 7.142 ( 4.440 -8.850 15.571) 18.452 7.244 ( -15.718 -0.410 -2.353) 15.899 7.615 ( 4.516 -14.768 5.767) 16.484 7.744 ( -12.517 5.393 29.802) 32.771 8.001 ( -5.165 -10.485 -9.935) 15.340 8.309 ( -0.439 -6.723 -7.101) 9.788 8.399 ( 3.649 6.460 27.468) 28.453 8.965 ( -10.212 1.385 17.565) 20.365 9.094 ( 3.506 -12.170 13.136) 18.247 9.192 ( 7.798 2.408 2.063) 8.418 9.396 ( 7.179 -5.029 -1.230) 8.852 9.655 ( 2.694 -3.602 -8.775) 9.860 9.954 ( -9.110 -1.305 15.566) 18.083 10.290 ( 7.193 3.995 -16.985) 18.873 10.819 ( 1.351 -5.926 -7.617) 9.745 10.902 ( 0.293 1.415 -15.202) 15.271 11.289 ( -16.136 6.563 -14.594) 22.725 11.418 ( 9.153 9.557 -4.119) 13.860 11.769 ( 4.487 -4.395 1.121) 6.380 12.309 ( 14.680 11.379 -2.580) 18.752 12.560 ( 13.071 -2.672 0.922) 13.373 13.198 ( -5.673 -0.139 -10.146) 11.625 13.555 ( 1.745 -0.166 -8.127) 8.314 13.616 ( -2.215 3.598 9.056) 9.993 14.286 ( -16.285 -1.922 0.025) 16.398 14.599 ( 8.552 -1.221 16.065) 18.240 15.165 ( 7.312 19.481 -0.228) 20.810 15.602 ( -2.788 2.427 1.536) 4.003 15.636 ( 7.499 -9.293 -9.152) 15.045 16.612 ( 1.618 -0.838 8.666) 8.855 16.962 ( -5.003 -4.974 13.170) 14.940 17.049 ( -22.297 -7.021 9.469) 25.221 18.062 ( -11.031 3.001 4.785) 12.392 19.537 ( -5.638 -0.735 -4.666) 7.355 20.762 ( 0.464 -7.616 -33.264) 34.128 20.886 ( 6.641 3.217 18.714) 20.116 21.686 ( 10.404 4.413 -20.798) 23.670 25.554 ( -4.443 1.148 -8.442) 9.608 25.608 ( 2.976 -0.671 5.484) 6.276 27.330 ( -14.619 2.867 11.089) 18.572 27.628 ( 10.471 -1.913 -16.435) 19.581 29.540 ( -4.809 -2.733 -1.156) 5.650 29.875 ( -9.003 -5.196 1.206) 10.464 30.684 ( 11.566 2.983 9.472) 15.245 30.761 ( 8.219 0.296 19.115) 20.809 31.338 ( -12.072 0.568 12.072) 17.082 31.500 ( 3.286 -1.094 -8.536) 9.212 32.202 ( -7.636 3.482 6.041) 10.341 32.625 ( 11.736 -1.646 -17.484) 21.122 ======================= Grid point 279 (147/186) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( 13.191 17.956 0.194) 22.282 4.223 ( -2.721 5.909 0.871) 6.563 4.445 ( -0.594 -12.112 8.124) 14.597 4.899 ( -2.114 18.474 0.882) 18.615 5.089 ( -0.354 14.520 -4.787) 15.292 5.265 ( -4.279 -2.661 -11.995) 13.011 5.735 ( 9.903 -0.725 -6.769) 12.017 6.191 ( -7.671 5.459 4.380) 10.384 6.319 ( -2.246 2.672 3.149) 4.701 6.448 ( -0.424 3.977 -1.493) 4.270 6.768 ( 6.682 1.457 3.456) 7.663 7.144 ( -4.056 -7.371 0.235) 8.417 7.382 ( 8.946 -5.382 16.119) 19.204 7.611 ( -8.934 8.047 22.127) 25.183 7.919 ( -8.951 -16.140 21.006) 27.962 7.998 ( -2.615 -3.257 -10.404) 11.211 8.424 ( 2.810 -11.942 -14.088) 18.680 8.518 ( 10.041 1.278 17.006) 19.790 8.905 ( -8.117 -1.156 19.866) 21.491 9.158 ( -6.252 -4.007 4.242) 8.552 9.414 ( 2.847 -6.772 11.958) 14.034 9.585 ( 8.286 -5.578 2.395) 10.272 9.826 ( 2.429 -4.963 2.077) 5.903 9.933 ( -1.871 -5.593 13.558) 14.785 10.285 ( 11.763 4.986 -12.845) 18.117 10.581 ( -11.398 17.327 -6.281) 21.670 10.815 ( -1.911 3.288 -9.494) 10.228 11.124 ( -0.043 -7.616 -22.068) 23.346 11.430 ( 2.189 -6.663 -10.058) 12.262 11.822 ( -0.857 2.567 -0.798) 2.821 12.298 ( 15.445 15.868 -5.953) 22.930 12.585 ( -0.960 13.252 -0.540) 13.298 13.160 ( 4.972 -3.142 -3.077) 6.638 13.504 ( -1.402 9.116 1.455) 9.337 13.634 ( 6.372 1.040 -1.781) 6.698 14.105 ( -14.909 -5.123 -4.296) 16.340 14.762 ( -0.901 2.139 21.237) 21.363 15.055 ( 14.365 10.709 7.305) 19.350 15.417 ( -7.079 6.038 -1.478) 9.421 15.892 ( 10.804 -10.469 -15.278) 21.442 16.687 ( -0.448 -2.621 10.228) 10.568 16.941 ( -8.793 -8.078 4.075) 12.616 17.121 ( -5.203 -10.909 11.932) 16.984 17.856 ( -10.834 5.072 -2.613) 12.245 19.486 ( -8.300 -5.462 5.872) 11.541 20.779 ( 1.398 -11.991 -34.146) 36.217 20.942 ( 1.236 6.701 16.854) 18.179 21.635 ( 9.981 8.393 -22.187) 25.736 25.463 ( 0.498 0.195 -8.476) 8.493 25.681 ( 0.325 0.547 9.092) 9.114 27.147 ( -11.016 3.936 10.507) 15.724 27.725 ( 7.438 -3.721 -15.878) 17.924 29.542 ( -2.785 -4.665 0.343) 5.444 29.861 ( -8.569 -8.401 -0.499) 12.010 30.770 ( 6.982 8.099 7.772) 13.219 30.935 ( 7.346 0.811 16.737) 18.296 31.277 ( -7.849 -2.002 14.871) 16.934 31.527 ( 4.744 0.339 -2.281) 5.275 32.051 ( -6.728 5.586 1.051) 8.807 32.707 ( 6.865 -2.886 -19.070) 20.472 ======================= Grid point 280 (148/186) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 17.349 16.519 1.164) 23.984 4.040 ( -9.167 7.690 -1.628) 12.076 4.546 ( -3.384 7.701 11.282) 14.072 4.583 ( -9.134 9.104 11.499) 17.278 4.899 ( 4.304 11.388 -9.763) 15.605 5.196 ( -6.324 -6.058 -9.752) 13.107 5.758 ( -2.269 6.459 4.314) 8.092 6.034 ( -4.925 -3.028 -10.852) 12.296 6.267 ( -2.647 2.589 2.116) 4.265 6.379 ( 0.587 2.382 -4.241) 4.899 6.884 ( 8.100 -0.099 5.079) 9.562 7.198 ( -3.106 0.018 2.929) 4.269 7.466 ( -8.425 5.298 18.458) 20.970 7.657 ( 8.172 -3.972 7.060) 11.506 8.006 ( 3.786 -2.222 -2.984) 5.308 8.057 ( -3.461 -7.980 28.923) 30.203 8.484 ( -3.271 -3.258 -10.918) 11.853 8.755 ( 8.281 -2.114 11.703) 14.492 8.975 ( -0.301 -5.691 19.281) 20.105 9.227 ( -8.330 -15.038 11.649) 20.766 9.493 ( -10.144 1.712 12.705) 16.348 9.693 ( -1.377 8.692 5.437) 10.344 9.720 ( 3.741 5.406 4.070) 7.732 10.018 ( -5.374 1.361 5.027) 7.483 10.383 ( 7.282 1.984 -21.796) 23.066 10.427 ( 11.042 -9.107 -6.459) 15.703 10.651 ( -0.331 6.517 -5.188) 8.337 11.245 ( 10.400 -10.112 -13.938) 20.116 11.518 ( -11.084 -11.115 -14.928) 21.662 11.689 ( -5.887 -0.570 -8.472) 10.332 12.129 ( 3.628 23.444 -4.415) 24.130 12.324 ( 7.462 20.215 0.845) 21.565 13.262 ( -8.665 13.271 6.987) 17.321 13.335 ( 8.952 -0.295 1.365) 9.061 13.652 ( 6.501 3.586 -6.430) 9.822 14.014 ( -9.604 -8.082 -7.491) 14.617 14.794 ( -2.681 -3.103 18.782) 19.224 15.250 ( 13.486 0.810 3.029) 13.846 15.289 ( -0.454 1.376 2.069) 2.526 16.051 ( 8.558 -2.365 -18.215) 20.264 16.752 ( -6.158 -4.736 11.863) 14.180 17.029 ( -2.806 -12.557 2.266) 13.065 17.245 ( -4.634 -9.270 9.296) 13.922 17.650 ( -5.261 3.551 -8.538) 10.639 19.535 ( -9.299 -9.813 18.341) 22.785 20.837 ( 0.274 -4.255 -18.649) 19.130 20.873 ( -1.562 2.368 0.114) 2.840 21.533 ( 10.708 10.731 -23.278) 27.779 25.503 ( 9.565 0.194 -4.286) 10.483 25.663 ( -6.400 0.163 5.482) 8.428 27.044 ( -3.484 3.052 12.746) 13.561 27.778 ( 1.285 -4.160 -15.945) 16.529 29.611 ( 0.885 -5.974 2.482) 6.529 29.884 ( -7.617 -9.950 -1.952) 12.682 30.717 ( 1.461 9.971 8.105) 12.932 31.019 ( -0.331 4.018 7.113) 8.176 31.286 ( 2.884 2.230 10.660) 11.266 31.618 ( 2.964 -1.245 10.657) 11.132 31.903 ( -2.970 3.971 -0.147) 4.961 32.722 ( 1.180 -3.386 -21.194) 21.495 ======================= Grid point 281 (149/186) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 18.883 12.281 3.489) 22.794 3.779 ( -11.169 6.258 -4.899) 13.708 4.283 ( -12.338 11.625 14.834) 22.526 4.488 ( -2.414 8.733 19.561) 21.558 4.794 ( 7.271 7.939 -8.848) 13.934 5.203 ( -2.140 -7.960 -11.750) 14.353 5.663 ( -5.178 -1.820 5.636) 7.867 5.961 ( -6.190 4.184 -8.215) 11.104 6.221 ( -1.076 -2.204 -1.660) 2.961 6.353 ( 3.122 1.587 -6.422) 7.315 6.990 ( 6.034 2.669 4.878) 8.206 7.082 ( -4.936 6.054 3.790) 8.682 7.403 ( -8.173 -0.487 14.965) 17.059 7.736 ( 0.760 1.003 6.685) 6.802 8.114 ( 7.904 2.451 5.699) 10.048 8.213 ( -10.644 -1.146 16.338) 19.534 8.547 ( 8.835 -9.546 5.144) 13.988 8.821 ( 3.800 10.143 23.254) 25.653 9.093 ( 0.001 7.997 16.134) 18.007 9.248 ( -11.592 -4.163 -9.632) 15.635 9.441 ( -6.137 -13.250 18.528) 23.590 9.590 ( -10.392 -2.274 5.231) 11.854 9.789 ( 5.501 16.748 2.551) 17.812 9.855 ( 2.676 0.457 -4.053) 4.878 10.361 ( 3.450 0.093 -15.408) 15.790 10.491 ( -2.749 -1.093 -12.536) 12.880 10.749 ( 10.988 -1.340 -1.244) 11.139 11.266 ( -4.570 4.426 -22.893) 23.761 11.471 ( 2.300 -0.831 -1.901) 3.097 11.708 ( -1.033 -7.524 -12.081) 14.270 11.927 ( 3.789 1.629 5.263) 6.686 12.164 ( 6.674 13.997 -6.159) 16.686 12.968 ( -9.711 9.412 12.938) 18.716 13.388 ( 2.525 3.228 -6.783) 7.925 13.752 ( 8.147 -4.689 2.699) 9.780 14.014 ( -2.305 -7.845 -13.605) 15.873 14.907 ( -5.119 -8.310 13.883) 16.971 15.226 ( -0.714 1.194 -4.071) 4.302 15.440 ( 9.585 4.337 6.334) 12.280 16.026 ( 4.629 5.957 -20.465) 21.811 16.739 ( -11.618 -3.545 12.279) 17.272 17.205 ( 1.418 -8.151 -2.934) 8.778 17.407 ( -4.126 -18.278 10.394) 21.428 17.583 ( 0.479 -3.172 -4.147) 5.243 19.656 ( -8.335 -9.036 26.599) 29.302 20.647 ( -10.549 11.197 11.269) 19.069 20.941 ( 7.316 -8.024 -29.955) 31.863 21.427 ( 12.682 10.924 -23.744) 29.051 25.520 ( -9.966 0.610 3.956) 10.740 25.708 ( 16.335 -0.885 -5.282) 17.191 27.078 ( 2.794 0.266 15.995) 16.240 27.738 ( -5.301 -3.551 -16.573) 17.758 29.758 ( 4.831 -6.472 5.408) 9.720 29.924 ( -6.881 -9.646 -2.854) 12.188 30.610 ( -0.316 10.567 8.820) 13.768 30.867 ( -6.219 9.735 -1.795) 11.691 31.376 ( 7.042 3.426 11.103) 13.587 31.622 ( -2.888 2.161 1.292) 3.832 31.947 ( 5.215 -2.600 12.485) 13.778 32.659 ( -4.219 -3.158 -21.541) 22.176 ======================= Grid point 282 (150/186) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -12.082 -0.055 -9.902) 15.621 3.688 ( 18.172 9.119 6.322) 21.292 4.055 ( -9.169 6.196 14.604) 18.323 4.511 ( 3.685 1.621 25.630) 25.945 4.789 ( 10.135 3.687 -6.612) 12.650 5.285 ( 4.824 -8.207 -14.186) 17.084 5.678 ( -2.986 4.192 5.508) 7.539 5.725 ( -6.178 2.636 -3.527) 7.587 6.276 ( 1.795 -3.549 0.486) 4.007 6.353 ( 3.549 1.592 -6.121) 7.252 6.931 ( -3.792 5.259 3.888) 7.560 7.023 ( 1.217 5.287 1.919) 5.755 7.379 ( -5.026 -0.615 12.871) 13.831 7.770 ( -1.020 -2.980 4.016) 5.104 8.025 ( -14.796 3.516 20.607) 25.612 8.158 ( 2.790 14.472 14.155) 20.434 8.718 ( 8.455 4.450 9.086) 13.185 8.926 ( 1.017 -0.956 20.556) 20.604 9.023 ( -3.351 -2.015 -3.000) 4.928 9.102 ( -9.602 15.166 -2.761) 18.161 9.268 ( -5.389 9.309 -9.905) 14.622 9.539 ( -8.616 -3.777 4.569) 10.458 9.797 ( 2.783 -4.556 21.450) 22.105 10.015 ( 1.551 -8.472 -3.332) 9.235 10.213 ( -5.678 4.637 -6.178) 9.587 10.483 ( 10.549 -0.089 -18.277) 21.103 10.854 ( 4.688 -3.796 -3.255) 6.855 11.183 ( 14.393 14.117 -10.339) 22.657 11.250 ( -4.583 13.293 -4.593) 14.792 11.800 ( 11.304 4.180 -14.895) 19.161 12.087 ( -4.042 -10.170 1.273) 11.018 12.111 ( -6.463 -15.640 -2.010) 17.042 12.943 ( 3.310 -5.643 10.992) 12.792 13.324 ( -0.405 3.023 -3.135) 4.374 13.921 ( 1.034 -6.424 -4.127) 7.705 14.065 ( 5.717 -4.638 -9.957) 12.383 14.998 ( -8.435 -9.808 9.488) 16.043 15.132 ( -6.761 4.323 -4.824) 9.363 15.455 ( 4.495 6.767 3.923) 9.022 15.879 ( 3.830 8.454 -19.243) 21.364 16.679 ( -10.827 -1.455 13.364) 17.260 17.230 ( 0.073 1.945 -4.936) 5.306 17.644 ( -8.708 -16.837 4.113) 19.397 17.778 ( 4.214 -16.532 9.002) 19.290 19.776 ( -7.031 -4.193 29.186) 30.313 20.390 ( -9.360 9.511 9.899) 16.615 21.023 ( 9.601 -4.188 -28.488) 30.353 21.365 ( 14.937 8.581 -23.259) 28.943 25.390 ( -9.815 -0.239 3.152) 10.311 25.927 ( 17.293 -0.274 -9.201) 19.591 27.224 ( 4.521 -2.781 18.417) 19.167 27.623 ( -7.378 -2.906 -16.767) 18.548 29.939 ( -4.833 -5.492 -1.523) 7.472 29.962 ( 4.797 -6.778 7.240) 11.016 30.467 ( -2.547 11.604 7.834) 14.230 30.619 ( -5.845 9.979 -3.085) 11.970 31.398 ( -0.322 3.301 4.180) 5.336 31.620 ( 5.883 0.951 0.015) 5.959 32.122 ( 4.753 -2.841 15.929) 16.864 32.533 ( -7.596 -2.405 -18.691) 20.318 ======================= Grid point 286 (151/186) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 11.633 0.000 -1.501) 11.730 4.058 ( -4.729 -0.000 14.041) 14.816 4.322 ( -0.455 -0.000 0.393) 0.601 5.208 ( -3.178 -0.000 -15.571) 15.892 5.220 ( 7.114 0.000 -5.463) 8.970 5.531 ( -9.179 -0.000 2.376) 9.481 5.600 ( 14.672 0.000 -9.803) 17.646 6.305 ( -5.569 -0.000 9.659) 11.149 6.408 ( -0.466 -0.000 1.958) 2.013 6.524 ( 7.677 0.000 0.815) 7.720 6.895 ( 6.181 0.000 0.678) 6.218 6.978 ( -13.115 -0.000 -0.565) 13.127 7.183 ( 0.665 0.000 13.730) 13.747 7.564 ( -2.780 -0.000 25.249) 25.401 7.799 ( -2.546 -0.000 -12.579) 12.834 7.813 ( 0.789 0.000 15.577) 15.597 8.204 ( -3.715 -0.000 -6.587) 7.562 8.630 ( 3.932 0.000 24.090) 24.409 8.903 ( -15.038 -0.000 23.547) 27.939 8.988 ( -3.411 -0.000 -0.716) 3.485 9.457 ( 4.435 0.000 -2.127) 4.919 9.475 ( 23.811 0.000 8.210) 25.186 9.641 ( 5.193 0.000 -7.242) 8.912 9.884 ( -8.050 -0.000 15.994) 17.905 10.349 ( 9.092 0.000 -21.194) 23.062 10.739 ( -1.363 -0.000 -2.877) 3.184 10.882 ( 3.301 0.000 -12.470) 12.899 11.097 ( -8.647 -0.000 -15.920) 18.116 11.576 ( -8.101 -0.000 -1.770) 8.292 11.687 ( 1.674 0.000 -5.936) 6.168 12.626 ( 15.127 0.000 -8.699) 17.450 12.682 ( 11.363 0.000 4.538) 12.236 13.136 ( 1.108 0.000 0.952) 1.461 13.563 ( 6.145 0.000 -7.908) 10.015 13.649 ( -2.642 -0.000 11.312) 11.617 14.047 ( -16.898 -0.000 -1.401) 16.956 14.769 ( 6.971 0.000 17.648) 18.975 15.455 ( 8.394 0.000 -16.024) 18.089 15.551 ( 6.718 0.000 -0.002) 6.718 15.653 ( -3.371 -0.000 3.873) 5.134 16.666 ( 2.741 0.000 4.039) 4.881 16.729 ( -17.695 -0.000 11.058) 20.866 16.931 ( -3.698 -0.000 17.387) 17.776 17.922 ( -15.859 -0.000 5.260) 16.709 19.440 ( -4.626 -0.000 -7.921) 9.173 20.545 ( -0.532 -0.000 -36.418) 36.421 21.048 ( 2.208 0.000 16.954) 17.097 21.765 ( 9.333 0.000 -19.932) 22.009 25.468 ( 0.943 0.000 -9.408) 9.455 25.688 ( -0.423 -0.000 9.472) 9.482 27.209 ( -12.398 -0.000 10.342) 16.145 27.669 ( 8.212 0.000 -16.770) 18.672 29.467 ( -2.718 -0.000 -0.229) 2.728 29.728 ( -8.101 -0.000 0.471) 8.115 30.922 ( 13.012 0.000 10.484) 16.710 30.930 ( 4.188 0.000 16.592) 17.113 31.234 ( -9.425 -0.000 16.402) 18.917 31.530 ( 5.463 0.000 -5.650) 7.859 32.141 ( -8.599 -0.000 4.112) 9.532 32.662 ( 7.679 0.000 -20.955) 22.317 ======================= Grid point 287 (152/186) ======================= q-point: (-0.50 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 3.830 11.028 7.202) 13.717 4.217 ( -4.465 -1.550 0.776) 4.789 4.322 ( 2.308 -6.092 4.819) 8.103 5.071 ( -9.214 -2.845 -15.896) 18.592 5.127 ( -6.014 16.684 5.209) 18.484 5.297 ( -0.814 10.997 -1.468) 11.125 5.833 ( 15.537 -4.011 -11.902) 19.979 6.162 ( -14.219 11.157 9.313) 20.333 6.360 ( -4.645 1.916 1.930) 5.382 6.563 ( 6.719 7.642 -0.899) 10.215 6.874 ( 0.747 0.078 5.563) 5.614 7.004 ( 1.473 -7.654 3.817) 8.678 7.342 ( -5.804 -13.110 12.299) 18.890 7.672 ( 2.030 0.979 25.949) 26.046 7.790 ( -1.745 -5.555 -0.845) 5.884 7.921 ( 7.659 -0.850 -0.744) 7.741 8.237 ( 3.041 -11.675 -7.566) 14.241 8.714 ( 1.907 3.567 13.365) 13.964 8.846 ( -7.000 -2.387 24.354) 25.453 8.938 ( -12.057 -5.330 -3.760) 13.709 9.440 ( -1.390 1.247 1.182) 2.210 9.703 ( 0.348 -3.146 3.021) 4.376 9.754 ( -2.786 -6.048 9.472) 11.578 9.987 ( 18.419 0.120 13.690) 22.949 10.375 ( 8.823 -0.499 -22.767) 24.422 10.732 ( -2.476 -3.259 -7.775) 8.786 10.804 ( 3.046 17.030 5.272) 18.086 11.025 ( 9.192 -2.129 -18.783) 21.020 11.341 ( -7.577 3.966 -10.241) 13.343 11.648 ( -15.930 -6.342 -10.711) 20.217 12.661 ( 11.902 11.382 -6.651) 17.761 12.762 ( 1.450 7.701 3.895) 8.751 13.257 ( 11.002 -1.047 9.057) 14.289 13.587 ( -5.434 4.801 6.664) 9.848 13.693 ( 8.370 -3.660 -5.885) 10.866 13.881 ( -5.497 -1.148 -6.698) 8.740 14.876 ( -3.724 4.225 21.606) 22.328 15.371 ( 0.265 10.275 4.149) 11.084 15.429 ( -1.437 7.676 -6.673) 10.272 15.793 ( 7.529 -12.397 -12.352) 19.052 16.680 ( -1.567 -0.633 5.910) 6.147 16.755 ( -0.546 -7.018 2.744) 7.555 17.018 ( -1.886 -5.666 20.836) 21.675 17.717 ( -15.096 0.411 1.545) 15.180 19.359 ( -4.768 -1.224 -1.120) 5.048 20.475 ( 1.834 -10.397 -36.960) 38.438 21.077 ( -3.411 4.246 15.189) 16.136 21.767 ( 8.661 4.455 -19.855) 22.116 25.512 ( 10.811 0.278 -6.058) 12.396 25.659 ( -8.804 -0.210 6.334) 10.848 27.114 ( -6.828 1.404 11.693) 13.613 27.697 ( 4.478 -1.412 -16.268) 16.932 29.472 ( 0.352 -2.794 1.039) 3.002 29.662 ( -6.784 -4.352 -0.689) 8.090 30.934 ( -6.213 3.116 10.646) 12.714 31.091 ( 8.181 2.971 9.870) 13.160 31.306 ( 5.565 -0.827 17.444) 18.329 31.594 ( 5.069 -0.560 3.847) 6.388 32.017 ( -7.806 2.713 -0.324) 8.270 32.645 ( 1.729 -1.509 -22.514) 22.631 ======================= Grid point 288 (153/186) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.842 ( -1.620 7.819 7.090) 10.679 4.043 ( -3.788 10.062 -2.862) 11.126 4.521 ( 1.475 -8.092 8.650) 11.936 4.780 ( -7.049 19.306 9.321) 22.568 4.955 ( -8.059 -5.927 -10.545) 14.535 5.149 ( 5.084 12.023 -5.094) 14.013 5.761 ( -21.059 10.418 5.780) 24.195 6.004 ( 13.880 1.204 -9.215) 16.704 6.254 ( -7.330 2.532 1.845) 7.971 6.515 ( 6.911 9.838 -2.074) 12.200 6.991 ( 4.876 -3.238 9.151) 10.862 7.111 ( -3.923 -6.155 2.660) 7.769 7.390 ( -14.045 -3.008 17.266) 22.460 7.780 ( 1.597 2.434 13.797) 14.101 7.942 ( 9.527 -11.834 -8.982) 17.649 8.080 ( 7.540 -5.462 16.159) 18.649 8.402 ( 2.806 -1.809 -10.086) 10.624 8.751 ( -1.173 -10.313 -13.281) 16.856 8.897 ( -6.327 -5.415 21.238) 22.812 8.947 ( -6.842 -7.774 27.990) 29.844 9.418 ( -6.102 -1.568 5.047) 8.072 9.739 ( -4.224 -4.008 13.895) 15.066 9.782 ( -6.989 -3.330 -0.303) 7.748 10.267 ( 20.972 10.653 9.910) 25.525 10.375 ( 3.949 1.728 -21.514) 21.941 10.538 ( -0.247 11.667 -6.353) 13.287 10.786 ( 12.914 2.796 -0.032) 13.213 11.103 ( -6.540 -5.138 -6.655) 10.651 11.320 ( 11.740 -6.270 -17.694) 22.140 11.397 ( -19.822 -5.688 -16.877) 26.648 12.498 ( -0.207 20.411 1.891) 20.500 12.645 ( 5.379 12.362 -4.256) 14.138 13.361 ( -11.214 11.549 9.969) 18.934 13.475 ( 9.385 0.267 5.426) 10.844 13.768 ( -2.748 6.345 -6.150) 9.254 13.832 ( 8.711 -3.245 -11.978) 15.162 14.746 ( -13.516 0.256 22.079) 25.889 15.320 ( 2.262 5.522 -4.211) 7.304 15.442 ( 8.551 -2.822 6.899) 11.343 16.002 ( 9.017 -8.437 -19.145) 22.782 16.642 ( -10.323 -1.711 6.914) 12.542 16.880 ( 2.592 -7.441 3.750) 8.726 17.149 ( -2.494 -3.367 16.379) 16.907 17.581 ( -3.628 -0.733 -4.917) 6.154 19.378 ( -4.726 -7.182 13.181) 15.737 20.567 ( 5.631 -15.095 -35.320) 38.822 20.965 ( -8.293 8.526 13.910) 18.301 21.708 ( 8.842 7.453 -20.282) 23.347 25.525 ( -12.843 -0.201 3.482) 13.308 25.691 ( 17.786 -0.260 -5.104) 18.505 27.092 ( -2.470 0.503 13.735) 13.965 27.676 ( -0.449 -0.978 -15.653) 15.690 29.568 ( 3.837 -5.441 2.666) 7.172 29.665 ( -4.819 -7.213 -1.815) 8.862 30.838 ( -7.134 3.549 11.380) 13.892 31.113 ( 2.535 8.114 3.840) 9.328 31.452 ( 7.937 2.198 12.234) 14.748 31.700 ( 1.066 1.312 11.837) 11.957 31.902 ( -0.986 -0.142 -0.180) 1.013 32.563 ( -4.082 -2.837 -23.688) 24.204 ======================= Grid point 289 (154/186) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( -18.915 5.997 -2.501) 20.000 3.953 ( 8.909 8.582 2.586) 12.637 4.456 ( -4.295 17.507 10.978) 21.106 4.611 ( -3.158 2.418 12.097) 12.734 4.963 ( 1.183 -3.181 -5.138) 6.157 5.071 ( 7.137 4.192 -6.697) 10.647 5.498 ( -12.966 -4.612 5.486) 14.815 6.026 ( 0.194 8.878 0.005) 8.880 6.187 ( 3.683 -1.096 -3.907) 5.480 6.461 ( 5.793 6.959 -3.407) 9.674 7.068 ( -6.647 -0.481 0.597) 6.691 7.128 ( 4.585 2.586 5.790) 7.825 7.315 ( -10.515 -2.098 17.743) 20.731 7.776 ( -5.226 1.746 14.366) 15.386 8.081 ( -10.378 0.363 -1.955) 10.567 8.260 ( 12.353 -0.561 -4.214) 13.064 8.531 ( 9.553 -15.693 3.389) 18.682 8.872 ( 0.389 -9.808 -12.666) 16.024 8.968 ( -9.463 -2.508 33.261) 34.672 9.162 ( -7.042 -14.527 21.086) 26.556 9.346 ( -8.308 0.032 14.377) 16.605 9.595 ( -5.748 16.161 8.383) 19.092 9.885 ( 4.211 -4.882 7.887) 10.186 10.225 ( -4.205 -2.481 -16.333) 17.047 10.235 ( 8.282 25.478 -4.824) 27.221 10.488 ( 6.742 0.870 -20.648) 21.738 10.889 ( 5.504 6.669 -3.064) 9.173 11.078 ( -0.290 -15.566 -8.329) 17.656 11.315 ( -4.376 -14.609 -9.503) 17.969 11.567 ( 14.651 -5.422 -10.014) 18.557 12.177 ( -3.159 18.516 0.171) 18.784 12.426 ( -1.489 20.432 -6.911) 21.621 13.014 ( -13.454 10.304 9.884) 19.619 13.507 ( 1.923 8.136 1.251) 8.453 13.737 ( 2.223 -5.035 -3.453) 6.498 13.957 ( 11.699 -2.149 -8.795) 14.793 14.743 ( -9.528 -6.646 15.317) 19.225 15.242 ( -2.294 4.212 -1.410) 4.999 15.580 ( 2.695 0.738 3.091) 4.166 16.051 ( 4.757 1.583 -24.975) 25.473 16.595 ( -8.432 -4.676 14.882) 17.733 17.104 ( 6.779 -12.935 1.626) 14.694 17.205 ( -5.199 -4.857 12.303) 14.212 17.572 ( 3.819 0.508 -5.139) 6.423 19.543 ( -3.345 -10.437 25.076) 27.367 20.693 ( -2.767 1.133 -7.667) 8.229 20.786 ( 0.847 -3.319 -12.357) 12.823 21.626 ( 9.498 8.294 -21.123) 24.601 25.373 ( -11.813 -0.792 2.322) 12.065 25.921 ( 18.580 -0.115 -7.514) 20.043 27.147 ( -0.653 -2.363 15.365) 15.559 27.589 ( -3.077 0.360 -14.551) 14.877 29.702 ( -2.846 -8.248 -0.712) 8.754 29.764 ( 6.457 -7.096 3.008) 10.055 30.737 ( -6.303 4.600 9.974) 12.663 30.965 ( -1.741 13.792 2.085) 14.057 31.536 ( 1.258 4.649 8.861) 10.085 31.629 ( -1.673 2.090 2.227) 3.482 32.049 ( 8.613 -3.586 11.694) 14.960 32.432 ( -7.556 -3.867 -23.609) 25.089 ======================= Grid point 290 (155/186) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -19.252 -0.348 -10.488) 21.927 3.986 ( 7.250 4.308 5.413) 10.021 4.254 ( 3.996 14.790 10.019) 18.305 4.612 ( -2.886 -2.571 16.378) 16.828 4.944 ( 4.736 6.829 -2.913) 8.806 5.195 ( 8.805 -7.811 -7.329) 13.865 5.538 ( -6.024 -10.085 6.086) 13.230 5.877 ( 1.798 10.470 2.732) 10.969 6.275 ( 6.697 -1.794 -1.082) 7.017 6.440 ( 5.341 4.308 -4.533) 8.224 6.924 ( -8.207 3.271 -2.311) 9.132 7.147 ( 2.702 6.217 6.218) 9.199 7.321 ( -5.893 -3.789 13.190) 14.935 7.712 ( -9.428 1.719 8.637) 12.901 7.891 ( -12.220 -1.571 8.769) 15.123 8.394 ( 4.916 2.544 1.185) 5.661 8.769 ( -9.084 -5.165 1.832) 10.609 8.928 ( 2.133 -1.542 -3.355) 4.264 9.019 ( -5.875 -1.830 25.667) 26.395 9.106 ( -4.896 9.979 6.947) 13.108 9.390 ( -5.647 -0.776 5.604) 7.993 9.501 ( 0.963 -4.410 20.219) 20.717 9.836 ( -4.461 16.242 -0.288) 16.845 9.968 ( 3.347 3.755 -4.417) 6.695 10.243 ( 5.994 0.277 -8.740) 10.601 10.509 ( 9.700 -3.472 -20.254) 22.723 10.930 ( 11.905 3.041 -1.123) 12.339 11.134 ( -12.170 -9.480 -11.694) 19.358 11.606 ( 20.164 3.549 -3.920) 20.845 11.695 ( -1.991 -12.287 -2.021) 12.610 11.949 ( -1.473 4.087 -10.467) 11.333 12.038 ( -6.833 14.988 -3.280) 16.795 12.920 ( -1.394 -5.368 8.193) 9.894 13.425 ( 2.080 7.065 3.400) 8.112 13.775 ( -0.953 -3.567 -15.797) 16.223 14.141 ( 12.325 -2.347 0.989) 12.585 14.764 ( -11.022 -7.164 9.747) 16.365 15.091 ( -8.935 5.904 -3.167) 11.168 15.531 ( -4.499 1.955 2.208) 5.379 15.960 ( 5.695 5.065 -21.451) 22.764 16.626 ( -4.408 0.249 16.901) 17.468 17.249 ( -2.770 -1.832 8.835) 9.438 17.371 ( 2.427 -10.150 -4.805) 11.489 17.664 ( 3.572 -9.615 5.029) 11.424 19.754 ( -3.006 -6.565 28.576) 29.474 20.466 ( -8.089 10.378 11.572) 17.522 20.936 ( 11.012 -9.919 -29.930) 33.399 21.546 ( 9.214 6.995 -22.435) 25.242 25.282 ( -5.593 -1.542 3.156) 6.605 26.064 ( 8.389 0.799 -12.649) 15.199 27.257 ( -2.020 -5.097 15.947) 16.863 27.503 ( 1.782 0.834 -12.547) 12.701 29.770 ( -2.744 -6.646 -1.869) 7.429 29.993 ( 8.124 -7.114 6.771) 12.746 30.608 ( -5.880 6.452 5.226) 10.174 30.713 ( -4.473 16.023 4.712) 17.290 31.437 ( -2.446 4.410 -0.313) 5.053 31.674 ( -0.174 -1.276 8.436) 8.533 32.225 ( -1.572 -3.644 4.996) 6.381 32.325 ( 3.647 -2.003 -15.393) 15.945 ======================= Grid point 295 (156/186) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( -8.902 -0.000 12.330) 15.208 4.223 ( 5.766 0.000 2.063) 6.124 4.311 ( 0.091 0.000 4.128) 4.129 4.821 ( -12.257 -0.000 -16.220) 20.330 5.219 ( -14.893 -0.000 9.033) 17.419 5.292 ( -0.152 -0.000 5.650) 5.652 5.992 ( 17.010 0.000 -4.651) 17.634 6.045 ( -19.410 -0.000 -7.979) 20.986 6.364 ( -6.144 -0.000 12.059) 13.534 6.683 ( 1.716 0.000 -0.373) 1.756 6.885 ( 4.139 0.000 8.258) 9.237 7.001 ( 1.745 0.000 -1.816) 2.519 7.201 ( -5.454 -0.000 13.672) 14.720 7.697 ( 3.379 0.000 -14.021) 14.422 7.848 ( 1.896 0.000 22.476) 22.556 8.138 ( 4.413 0.000 -6.520) 7.873 8.142 ( 18.123 0.000 11.699) 21.571 8.693 ( -10.532 -0.000 -15.816) 19.002 8.751 ( -8.478 -0.000 22.359) 23.912 8.936 ( 3.897 0.000 21.477) 21.828 9.401 ( -3.794 -0.000 -3.602) 5.231 9.618 ( -2.920 -0.000 -4.680) 5.516 9.663 ( -12.190 -0.000 17.501) 21.328 10.343 ( 15.665 0.000 12.958) 20.330 10.370 ( 6.653 0.000 -24.343) 25.236 10.691 ( 7.378 0.000 -4.077) 8.429 11.051 ( 10.785 0.000 1.550) 10.896 11.116 ( 16.252 0.000 -17.217) 23.676 11.206 ( -24.704 -0.000 -17.095) 30.042 11.247 ( -13.040 -0.000 -2.229) 13.229 12.804 ( -8.114 -0.000 3.603) 8.878 12.837 ( 4.722 0.000 -1.207) 4.874 13.452 ( 11.957 0.000 11.798) 16.798 13.517 ( -10.800 -0.000 7.150) 12.952 13.822 ( 19.222 0.000 -12.337) 22.840 13.842 ( 1.764 0.000 -8.521) 8.702 14.868 ( -20.387 -0.000 18.509) 27.536 15.396 ( -8.820 -0.000 4.567) 9.933 15.442 ( 2.823 0.000 -0.385) 2.849 15.784 ( 19.032 0.000 -20.062) 27.653 16.629 ( -10.336 -0.000 1.411) 10.431 16.789 ( 6.739 0.000 4.270) 7.978 17.107 ( 6.356 0.000 28.907) 29.598 17.523 ( -13.594 -0.000 2.970) 13.915 19.309 ( -1.001 -0.000 -1.690) 1.964 20.271 ( 4.435 0.000 -37.797) 38.056 21.099 ( -7.416 -0.000 14.596) 16.372 21.822 ( 7.060 0.000 -18.571) 19.868 25.520 ( -13.849 -0.000 3.607) 14.311 25.688 ( 18.229 0.000 -5.421) 19.018 27.100 ( -4.945 -0.000 13.130) 14.030 27.665 ( 1.960 0.000 -15.452) 15.576 29.484 ( 3.912 0.000 1.753) 4.287 29.552 ( -4.567 -0.000 -1.030) 4.682 30.872 ( -10.643 -0.000 12.913) 16.734 31.261 ( 8.539 0.000 -0.767) 8.573 31.500 ( 10.742 0.000 20.235) 22.910 31.674 ( 3.160 0.000 11.552) 11.977 31.925 ( -7.684 -0.000 -3.028) 8.259 32.518 ( -4.414 -0.000 -24.168) 24.568 ======================= Grid point 296 (157/186) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( -16.796 7.316 9.826) 20.789 4.199 ( 2.791 8.176 2.580) 9.017 4.459 ( 2.598 -8.946 8.545) 12.642 4.676 ( -10.257 -8.211 -7.461) 15.110 4.979 ( -8.023 12.742 11.317) 18.836 5.264 ( -4.889 5.192 4.146) 8.249 5.671 ( -15.716 8.012 -8.090) 19.407 6.173 ( 4.392 0.023 1.267) 4.571 6.266 ( 0.614 6.313 6.525) 9.100 6.681 ( -0.563 0.769 -2.222) 2.418 6.896 ( -3.106 1.634 5.251) 6.315 7.092 ( 2.565 -4.672 1.829) 5.635 7.271 ( -2.087 -4.671 15.355) 16.185 7.751 ( -0.253 -6.122 -3.121) 6.876 7.952 ( 5.492 -3.778 5.154) 8.426 8.144 ( -1.426 -0.030 -3.097) 3.409 8.460 ( 9.643 2.663 -1.070) 10.061 8.571 ( 7.800 -6.121 -4.381) 10.840 8.802 ( -6.161 -6.477 26.508) 27.974 9.036 ( 0.891 3.854 18.987) 19.395 9.347 ( -4.162 0.092 0.047) 4.164 9.583 ( -9.983 -4.580 9.422) 14.471 9.672 ( 1.694 -9.770 0.729) 9.943 10.347 ( 3.287 0.521 -21.068) 21.329 10.417 ( -7.752 -3.329 -9.031) 12.358 10.700 ( -12.276 3.991 -7.107) 14.736 10.918 ( 9.801 4.095 -1.311) 10.703 11.028 ( -9.998 3.019 -5.977) 12.033 11.176 ( 11.064 7.905 4.311) 14.265 11.366 ( 18.979 -8.328 -13.147) 24.544 12.596 ( -14.462 6.831 -0.266) 15.996 12.821 ( 0.378 5.930 0.176) 5.945 13.347 ( -14.826 6.769 3.372) 16.643 13.645 ( 10.524 0.125 6.779) 12.519 13.751 ( -3.634 5.332 -10.114) 11.997 13.999 ( 16.493 4.703 -9.923) 19.814 14.642 ( -14.717 -0.909 19.117) 24.143 15.320 ( -9.211 -2.137 4.162) 10.331 15.554 ( 12.827 1.417 0.905) 12.937 15.982 ( 14.376 -3.347 -24.423) 28.536 16.471 ( -13.955 -2.544 9.622) 17.140 16.882 ( 3.831 -2.449 3.419) 5.688 17.251 ( 1.217 7.016 18.040) 19.394 17.513 ( 3.427 -7.094 6.316) 10.098 19.329 ( 0.975 -2.189 7.802) 8.162 20.296 ( 8.307 -12.486 -36.409) 39.377 21.005 ( -10.117 5.283 14.821) 18.706 21.803 ( 5.782 3.333 -18.524) 19.690 25.353 ( -12.733 -0.439 2.463) 12.976 25.919 ( 19.130 -0.026 -7.193) 20.437 27.095 ( -5.224 -1.024 14.025) 15.001 27.614 ( 0.735 0.819 -13.718) 13.763 29.526 ( -2.189 -3.277 -0.940) 4.052 29.594 ( 7.162 -3.584 2.140) 8.290 30.790 ( -9.487 0.279 12.903) 16.018 31.296 ( 5.265 6.744 -2.953) 9.051 31.660 ( 6.468 5.430 15.713) 17.839 31.739 ( -5.394 2.644 3.256) 6.833 31.891 ( 4.561 -6.323 8.735) 11.709 32.337 ( -8.970 -2.173 -24.417) 26.103 ======================= Grid point 297 (158/186) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -23.505 11.735 5.454) 26.832 4.138 ( 0.850 5.850 5.462) 8.049 4.523 ( -12.914 -2.435 12.753) 18.312 4.697 ( -3.428 4.287 -0.072) 5.490 4.818 ( 2.807 -1.443 4.697) 5.659 5.173 ( -4.961 -7.596 3.365) 9.676 5.437 ( 2.795 10.446 -4.798) 11.830 6.064 ( -8.042 4.863 8.960) 12.985 6.344 ( 11.471 4.095 -0.771) 12.204 6.617 ( 2.689 6.790 -6.068) 9.494 6.880 ( -9.650 -6.647 4.762) 12.648 7.140 ( -3.945 -4.233 1.166) 5.903 7.359 ( 3.947 4.158 16.266) 17.246 7.754 ( -9.121 -0.135 15.646) 18.111 7.949 ( -9.052 3.264 -9.188) 13.305 8.266 ( 3.682 -18.428 -1.125) 18.826 8.478 ( 10.963 5.111 -13.687) 18.266 8.846 ( 12.115 -3.831 8.235) 15.141 8.955 ( -9.072 -11.251 20.587) 25.154 9.018 ( -4.824 3.643 20.858) 21.717 9.288 ( -4.580 -0.374 9.178) 10.264 9.611 ( -5.248 -7.491 7.574) 11.875 9.897 ( -2.682 -2.246 2.639) 4.382 10.088 ( -6.054 0.878 -12.589) 13.996 10.368 ( 4.958 -4.209 -25.354) 26.175 10.620 ( -13.522 -15.815 -10.846) 23.465 10.730 ( 1.293 19.117 -5.507) 19.936 11.056 ( 10.636 -0.385 -1.201) 10.711 11.267 ( 13.024 2.453 0.739) 13.274 11.690 ( 16.852 -5.190 -5.512) 18.475 12.254 ( -14.523 11.499 -6.246) 19.549 12.652 ( -5.340 15.446 -0.375) 16.347 12.965 ( -19.331 7.572 4.865) 21.324 13.605 ( -0.853 5.060 -2.013) 5.512 13.756 ( 5.103 1.960 -1.966) 5.809 14.112 ( 15.517 2.173 -3.417) 16.037 14.647 ( -3.848 -1.940 12.137) 12.879 15.234 ( -7.287 1.598 3.132) 8.090 15.596 ( -4.601 4.361 -2.428) 6.788 15.977 ( 2.287 -3.385 -25.296) 25.624 16.560 ( 5.511 -4.733 16.439) 17.973 17.034 ( 5.807 -8.088 1.892) 10.135 17.216 ( -0.909 2.610 9.938) 10.315 17.664 ( 7.840 2.538 3.128) 8.814 19.490 ( 1.854 -8.411 21.546) 23.203 20.503 ( 11.377 -16.497 -33.736) 39.239 20.813 ( -10.999 9.666 14.594) 20.674 21.729 ( 4.511 4.884 -19.887) 20.969 25.241 ( -7.039 -1.129 3.185) 7.808 26.083 ( 10.059 0.463 -11.488) 15.276 27.117 ( -5.996 -3.997 14.451) 16.148 27.565 ( 4.811 2.741 -10.850) 12.181 29.572 ( -0.518 -5.664 -0.668) 5.726 29.790 ( 9.672 -6.162 2.970) 11.846 30.713 ( -8.171 1.411 10.189) 13.137 31.173 ( -0.845 13.367 0.292) 13.397 31.592 ( -4.654 5.044 -3.277) 7.605 31.693 ( -0.174 3.744 14.737) 15.206 32.054 ( -7.773 -6.615 -6.392) 12.042 32.250 ( 7.929 -4.346 -6.246) 10.989 ======================= Grid point 298 (159/186) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -21.390 6.351 -0.749) 22.326 4.101 ( -1.379 2.137 7.646) 8.058 4.439 ( -10.740 -3.076 15.484) 19.093 4.566 ( -0.851 5.824 3.769) 6.989 4.958 ( 2.247 -6.317 -6.503) 9.340 5.339 ( -3.274 -11.757 8.192) 14.698 5.377 ( 14.786 8.321 -2.220) 17.111 5.979 ( -1.323 2.126 8.651) 9.006 6.402 ( 7.214 3.912 -0.148) 8.207 6.541 ( 2.353 4.501 -6.645) 8.364 6.796 ( -11.287 -0.293 -0.891) 11.326 7.203 ( -0.917 -7.116 3.484) 7.976 7.367 ( 1.719 8.727 13.000) 15.752 7.673 ( -7.731 3.850 11.318) 14.237 7.765 ( -9.112 1.120 5.724) 10.819 8.439 ( -0.215 4.388 -6.345) 7.718 8.474 ( -11.892 -12.264 1.548) 17.153 8.958 ( -4.450 -8.682 0.183) 9.758 9.000 ( -7.398 2.858 18.840) 20.441 9.119 ( 9.249 -2.561 10.324) 14.095 9.401 ( 0.965 -6.202 9.694) 11.548 9.550 ( -7.900 10.223 11.913) 17.574 9.706 ( -6.451 -6.722 3.148) 9.835 10.214 ( 3.133 -4.327 -14.289) 15.255 10.408 ( 9.374 14.590 -11.503) 20.810 10.541 ( 15.725 0.736 -12.024) 19.809 10.651 ( -13.176 -16.622 -7.637) 22.544 11.208 ( 15.743 4.507 -3.080) 16.663 11.445 ( 0.008 -10.440 0.024) 10.440 11.777 ( -3.029 4.728 -6.457) 8.557 11.901 ( -8.117 5.072 -10.371) 14.112 12.335 ( 3.609 18.934 2.998) 19.506 12.810 ( -7.631 -5.675 6.628) 11.591 13.541 ( 0.895 4.170 1.123) 4.411 13.712 ( 0.371 4.118 -11.702) 12.411 14.311 ( 15.394 -0.259 1.509) 15.470 14.634 ( -6.062 0.082 8.009) 10.045 15.054 ( -9.776 8.479 -4.246) 13.619 15.435 ( -9.731 -2.101 1.642) 10.089 15.984 ( 6.280 -0.645 -20.145) 21.111 16.726 ( 4.583 3.276 17.277) 18.173 17.170 ( -2.194 -4.055 7.683) 8.960 17.343 ( 8.954 -8.047 -3.288) 12.479 17.685 ( 3.477 4.472 3.990) 6.929 19.745 ( 0.050 -7.784 27.190) 28.282 20.572 ( -6.809 10.206 13.976) 18.597 20.777 ( 11.786 -14.819 -30.670) 36.044 21.617 ( 2.870 4.844 -22.568) 23.259 25.241 ( 0.912 -2.102 5.366) 5.835 26.045 ( -4.742 1.516 -15.190) 15.985 27.163 ( -8.151 -6.435 14.081) 17.496 27.594 ( 12.848 3.868 -8.985) 16.148 29.660 ( 0.383 -5.995 0.133) 6.008 30.035 ( 9.994 -6.627 4.269) 12.729 30.609 ( -6.567 3.533 4.733) 8.833 30.908 ( -6.990 15.672 4.043) 17.630 31.477 ( -0.364 4.219 -1.960) 4.666 31.663 ( -7.753 1.614 11.970) 14.353 31.972 ( -8.869 -8.137 -11.939) 16.953 32.466 ( 14.632 -1.445 -0.613) 14.716 ======================= Grid point 304 (160/186) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( -21.007 -0.000 13.243) 24.833 4.273 ( -7.910 -0.000 2.147) 8.196 4.441 ( 0.943 0.000 13.453) 13.486 4.471 ( -6.710 -0.000 2.123) 7.038 4.967 ( -9.784 -0.000 13.003) 16.273 5.367 ( -22.301 -0.000 -13.789) 26.220 5.381 ( 3.283 0.000 9.040) 9.618 6.238 ( -8.651 -0.000 12.035) 14.822 6.266 ( 1.606 0.000 5.611) 5.836 6.679 ( 3.619 0.000 -4.949) 6.132 6.970 ( -4.765 -0.000 1.940) 5.145 7.041 ( 3.831 0.000 -4.514) 5.920 7.361 ( 9.422 0.000 17.369) 19.760 7.668 ( -0.017 -0.000 -13.326) 13.326 7.978 ( -1.584 -0.000 12.768) 12.866 8.031 ( -6.547 -0.000 -12.066) 13.728 8.603 ( 16.281 0.000 -16.249) 23.002 8.735 ( 0.798 0.000 19.088) 19.105 8.816 ( 1.135 0.000 38.023) 38.040 9.161 ( 1.742 0.000 7.241) 7.448 9.315 ( -1.280 -0.000 -2.295) 2.628 9.531 ( -3.540 -0.000 10.926) 11.486 9.546 ( 2.262 0.000 -6.282) 6.677 10.214 ( -13.893 -0.000 -1.616) 13.987 10.240 ( -28.292 -0.000 -24.309) 37.301 10.311 ( 4.365 0.000 -22.312) 22.735 10.972 ( -1.267 -0.000 -1.559) 2.009 11.319 ( 18.087 0.000 12.275) 21.858 11.374 ( 7.165 0.000 1.687) 7.361 11.455 ( 17.171 0.000 -14.916) 22.745 12.418 ( -16.841 -0.000 0.663) 16.854 12.819 ( -4.829 -0.000 -2.159) 5.289 13.140 ( -25.513 -0.000 -1.602) 25.563 13.704 ( -3.791 -0.000 -5.391) 6.590 13.791 ( 8.138 0.000 2.609) 8.546 14.285 ( 21.878 0.000 -10.673) 24.343 14.542 ( -6.207 -0.000 18.938) 19.929 15.193 ( -8.258 -0.000 3.633) 9.022 15.752 ( 12.167 0.000 -0.547) 12.179 15.881 ( -13.865 -0.000 -24.383) 28.049 16.460 ( 10.859 0.000 14.504) 18.118 16.928 ( 4.982 0.000 1.656) 5.250 17.333 ( -3.628 -0.000 -0.081) 3.629 17.656 ( 13.491 0.000 26.062) 29.347 19.388 ( 4.601 0.000 8.462) 9.632 20.172 ( 11.367 0.000 -35.604) 37.375 20.972 ( -10.747 -0.000 16.247) 19.480 21.804 ( 2.561 0.000 -18.447) 18.624 25.224 ( -7.602 -0.000 3.446) 8.347 26.090 ( 10.906 0.000 -11.280) 15.690 27.053 ( -8.187 -0.000 14.106) 16.310 27.614 ( 6.553 0.000 -10.488) 12.367 29.485 ( -0.022 -0.000 -0.566) 0.567 29.689 ( 9.645 0.000 2.131) 9.878 30.727 ( -8.432 -0.000 12.911) 15.420 31.384 ( 2.800 0.000 -7.253) 7.775 31.668 ( -5.994 -0.000 -2.187) 6.381 31.856 ( -1.621 -0.000 15.203) 15.289 31.900 ( -3.122 -0.000 1.366) 3.408 32.131 ( 2.194 0.000 -10.424) 10.652 ======================= Grid point 305 (161/186) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -24.365 12.808 14.033) 30.897 4.101 ( -20.218 -1.731 11.525) 23.336 4.401 ( -8.295 2.165 14.984) 17.263 4.570 ( -1.772 -9.194 4.278) 10.294 4.957 ( -10.035 8.368 -11.266) 17.253 4.991 ( -0.621 -6.511 13.624) 15.113 5.517 ( 3.440 -2.231 3.155) 5.173 6.142 ( -2.274 6.498 11.709) 13.583 6.369 ( -2.504 -8.164 5.718) 10.277 6.657 ( 1.324 3.304 -7.128) 7.967 6.855 ( -4.432 5.902 0.825) 7.427 7.057 ( 1.850 0.756 -2.905) 3.526 7.516 ( 0.804 2.091 1.992) 2.998 7.685 ( 0.091 -5.352 12.305) 13.419 7.907 ( 0.120 4.571 -8.879) 9.987 8.063 ( -2.023 -9.016 6.360) 11.217 8.695 ( 12.806 7.020 -13.375) 19.804 8.751 ( -16.082 -4.371 18.945) 25.233 8.983 ( -5.591 -2.241 34.815) 35.332 9.132 ( 5.409 7.127 -1.758) 9.118 9.313 ( 3.851 0.862 -3.002) 4.958 9.470 ( -3.333 -3.718 7.010) 8.607 9.680 ( -13.795 -6.509 -10.622) 18.588 9.959 ( 5.209 -12.292 -15.953) 20.802 10.139 ( -13.203 -10.609 0.019) 16.937 10.298 ( 5.148 -2.998 -19.129) 20.035 10.937 ( 1.654 5.022 1.611) 5.527 11.298 ( 6.024 13.304 4.056) 15.157 11.482 ( 13.378 3.455 -12.855) 18.873 11.739 ( 6.589 -9.316 -1.493) 11.508 12.185 ( -10.496 7.946 -0.554) 13.176 12.686 ( -12.089 5.889 -0.573) 13.460 12.765 ( -19.368 0.339 1.732) 19.448 13.640 ( -1.356 2.215 -0.214) 2.606 13.867 ( 6.421 3.540 -2.436) 7.726 14.400 ( 16.314 8.379 -2.067) 18.456 14.654 ( 1.820 -2.348 7.786) 8.333 15.140 ( -5.264 -3.213 3.552) 7.117 15.488 ( -19.536 5.240 -14.763) 25.041 15.894 ( 5.914 -3.283 -9.796) 11.904 16.739 ( 16.240 -1.052 15.395) 22.402 17.045 ( 8.537 -3.455 -1.587) 9.345 17.268 ( -2.093 2.316 1.630) 3.521 17.888 ( 10.754 5.275 15.156) 19.318 19.532 ( 5.197 -3.904 18.067) 19.201 20.301 ( 14.136 -13.071 -33.915) 38.999 20.857 ( -10.367 6.120 17.239) 21.027 21.722 ( -0.265 1.980 -20.135) 20.234 25.195 ( -0.357 -0.891 5.798) 5.877 26.079 ( -3.591 0.712 -14.820) 15.265 27.014 ( -9.843 -3.086 14.124) 17.490 27.705 ( 15.358 2.688 -7.833) 17.448 29.516 ( 1.421 -2.913 0.455) 3.272 29.864 ( 11.002 -3.922 1.807) 11.819 30.669 ( -7.444 0.779 10.117) 12.585 31.273 ( -6.372 7.883 -7.072) 12.359 31.578 ( -5.176 3.043 -4.363) 7.422 31.724 ( -12.129 -5.668 -11.279) 17.506 31.833 ( -3.620 5.355 14.268) 15.664 32.350 ( 15.459 -5.154 4.027) 16.785 ======================= Grid point 306 (162/186) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -20.627 13.309 11.994) 27.321 3.973 ( -19.339 -10.132 16.559) 27.402 4.308 ( -10.278 1.532 17.249) 20.138 4.600 ( -5.416 0.910 -0.399) 5.507 4.864 ( 2.762 -6.227 -10.490) 12.508 5.198 ( 0.612 -11.394 12.197) 16.703 5.582 ( 5.813 1.380 -0.300) 5.982 6.103 ( 4.203 6.464 12.530) 14.713 6.440 ( -3.147 -3.290 0.351) 4.566 6.575 ( -0.871 3.172 -8.731) 9.330 6.714 ( -5.325 4.390 1.711) 7.111 7.109 ( 1.185 -5.924 4.903) 7.781 7.437 ( -7.982 0.045 -0.519) 7.999 7.742 ( -3.193 4.629 10.788) 12.166 7.827 ( 6.201 10.409 7.633) 14.320 8.180 ( -6.521 -9.334 0.803) 11.415 8.491 ( -12.974 10.036 0.944) 16.430 8.736 ( -3.710 -6.073 0.797) 7.161 8.982 ( -12.738 0.682 23.093) 26.382 9.227 ( 5.814 -10.019 0.470) 11.593 9.397 ( 5.630 -1.637 1.935) 6.174 9.489 ( -1.677 -0.921 -0.593) 2.003 9.652 ( 1.320 -6.351 5.007) 8.194 10.121 ( -10.179 -7.949 -3.718) 13.440 10.172 ( 5.375 -9.708 -19.828) 22.722 10.439 ( 9.444 -9.135 -10.617) 16.892 10.913 ( 5.129 4.050 6.215) 9.019 11.272 ( 5.001 1.511 -0.554) 5.254 11.545 ( 11.502 1.573 -15.563) 19.416 11.666 ( -16.651 5.945 -4.831) 18.328 11.910 ( -4.762 14.942 -1.697) 15.774 12.539 ( -0.266 3.974 4.016) 5.656 12.631 ( -9.051 -5.936 5.678) 12.222 13.593 ( -0.590 3.038 1.038) 3.264 13.819 ( 4.486 10.417 -8.175) 13.981 14.530 ( 13.717 1.946 -1.583) 13.944 14.647 ( -1.695 3.272 8.586) 9.343 15.024 ( -9.594 7.999 -12.578) 17.727 15.278 ( -4.967 -5.283 4.153) 8.356 15.947 ( 3.695 -3.163 -14.798) 15.577 16.963 ( 9.092 5.878 15.900) 19.236 17.163 ( 3.602 -1.371 2.523) 4.607 17.314 ( 6.119 -6.975 -4.239) 10.201 17.902 ( 5.425 12.712 7.830) 15.885 19.761 ( 1.534 -6.314 24.630) 25.473 20.583 ( 14.187 -16.287 -31.176) 37.927 20.689 ( -6.822 8.703 16.599) 19.946 21.580 ( -1.837 2.676 -23.152) 23.378 25.288 ( 6.176 -2.138 8.310) 10.572 25.881 ( -12.815 1.471 -14.367) 19.308 27.000 ( -10.845 -5.605 13.653) 18.315 27.842 ( 18.095 5.649 -8.357) 20.717 29.601 ( 1.767 -4.676 1.893) 5.346 30.097 ( 11.071 -6.020 1.875) 12.740 30.583 ( -6.452 1.913 3.876) 7.766 30.980 ( -11.576 10.864 -2.575) 16.083 31.416 ( -11.742 -2.758 -6.698) 13.797 31.688 ( 0.454 3.439 4.500) 5.682 31.771 ( -5.422 -1.089 6.961) 8.891 32.619 ( 14.505 -3.042 -3.067) 15.135 ======================= Grid point 313 (163/186) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -21.305 -0.000 19.053) 28.581 3.752 ( -34.907 -0.000 20.108) 40.284 4.434 ( -1.996 -0.000 8.580) 8.809 4.450 ( -9.799 -0.000 18.172) 20.646 4.805 ( -5.535 -0.000 -15.816) 16.757 4.998 ( -1.121 -0.000 15.086) 15.128 5.611 ( 6.626 0.000 7.971) 10.365 6.178 ( -2.974 -0.000 11.254) 11.640 6.344 ( 2.290 0.000 6.135) 6.548 6.634 ( -2.379 -0.000 -10.986) 11.241 6.801 ( -6.718 -0.000 -2.130) 7.048 7.113 ( -1.656 -0.000 -7.819) 7.993 7.420 ( -6.651 -0.000 -5.840) 8.851 7.814 ( 13.768 0.000 10.996) 17.620 7.958 ( 7.450 0.000 -12.133) 14.237 8.022 ( -5.551 -0.000 21.785) 22.481 8.522 ( -23.059 -0.000 13.193) 26.567 8.867 ( 5.831 0.000 -6.109) 8.445 8.936 ( -16.288 -0.000 34.141) 37.827 9.192 ( -5.916 -0.000 -19.718) 20.586 9.358 ( 8.138 0.000 7.957) 11.381 9.453 ( -4.737 -0.000 -11.489) 12.427 9.457 ( 1.449 0.000 -3.238) 3.547 9.836 ( 13.576 0.000 -15.616) 20.692 10.058 ( -1.174 -0.000 15.139) 15.185 10.250 ( 4.793 0.000 -20.268) 20.827 10.955 ( -5.851 -0.000 4.737) 7.528 11.440 ( -2.326 -0.000 -1.355) 2.692 11.610 ( -2.192 -0.000 -0.116) 2.195 11.654 ( 7.138 0.000 -17.584) 18.978 12.210 ( 1.449 0.000 1.674) 2.214 12.515 ( -15.155 -0.000 15.177) 21.448 12.606 ( -6.267 -0.000 -7.363) 9.669 13.651 ( 0.330 0.000 2.041) 2.068 13.976 ( 7.410 0.000 -4.758) 8.806 14.642 ( 5.235 0.000 -6.958) 8.707 14.699 ( 5.109 0.000 12.094) 13.129 15.077 ( -0.661 -0.000 -5.003) 5.046 15.204 ( -13.538 -0.000 -12.189) 18.216 15.891 ( 0.793 0.000 -6.702) 6.749 17.032 ( 16.562 0.000 18.316) 24.694 17.140 ( 11.443 0.000 -6.740) 13.280 17.240 ( -3.621 -0.000 -1.743) 4.019 18.149 ( 9.577 0.000 14.935) 17.742 19.651 ( 5.020 0.000 19.011) 19.662 20.266 ( 17.209 0.000 -32.491) 36.767 20.848 ( -9.371 -0.000 17.863) 20.172 21.621 ( -3.441 -0.000 -21.647) 21.919 25.253 ( 5.261 0.000 8.814) 10.265 25.905 ( -12.843 -0.000 -14.414) 19.306 26.911 ( -10.762 -0.000 14.442) 18.011 27.941 ( 20.515 0.000 -8.042) 22.035 29.525 ( 2.218 0.000 1.760) 2.831 29.984 ( 10.946 0.000 0.617) 10.964 30.614 ( -7.692 -0.000 6.326) 9.959 31.182 ( -10.551 -0.000 -10.332) 14.767 31.342 ( -18.531 -0.000 -9.987) 21.050 31.630 ( 0.452 0.000 1.947) 1.998 31.901 ( -2.502 -0.000 12.672) 12.917 32.536 ( 15.762 0.000 1.577) 15.841 ======================= Grid point 314 (164/186) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -16.083 15.088 21.300) 30.659 3.544 ( -26.267 -15.654 24.303) 39.060 4.304 ( -9.687 5.423 15.690) 19.221 4.482 ( -8.860 -3.484 1.688) 9.669 4.791 ( 5.163 -5.214 -2.460) 7.739 5.113 ( -0.027 -7.170 13.675) 15.441 5.681 ( 4.179 3.128 2.702) 5.878 6.221 ( -1.025 -1.637 7.964) 8.195 6.375 ( -1.634 0.677 1.106) 2.086 6.550 ( -2.818 0.576 -7.664) 8.186 6.691 ( -4.760 1.202 -2.552) 5.533 6.983 ( -11.956 -6.946 -5.243) 14.789 7.361 ( 0.088 3.436 -0.191) 3.442 7.849 ( 4.408 9.937 -9.746) 14.600 8.034 ( -7.569 1.739 28.378) 29.422 8.135 ( 9.189 0.011 3.264) 9.751 8.267 ( -19.972 -5.148 6.978) 21.774 8.788 ( -4.674 7.339 11.612) 14.510 8.896 ( -7.010 -4.801 9.187) 12.513 9.067 ( -0.890 -1.715 -14.070) 14.202 9.436 ( -1.714 -2.739 6.126) 6.925 9.457 ( 3.971 -5.513 2.506) 7.242 9.638 ( 9.272 -7.887 -5.503) 13.358 9.933 ( 3.636 1.133 -2.981) 4.836 10.170 ( 8.422 -2.683 -7.222) 11.414 10.339 ( 7.160 -12.970 -11.236) 18.593 10.879 ( -8.337 -2.076 6.135) 10.557 11.353 ( -4.441 2.010 -0.872) 4.952 11.442 ( -18.527 4.114 -1.371) 19.028 11.616 ( 3.354 2.266 -22.536) 22.897 12.204 ( 10.536 14.756 2.813) 18.348 12.500 ( -2.620 -2.444 3.277) 4.855 12.537 ( -2.762 -3.066 9.450) 10.312 13.659 ( 2.984 3.212 2.100) 4.861 13.971 ( 0.943 7.558 -7.668) 10.808 14.625 ( 1.230 -0.385 -1.064) 1.672 14.766 ( 2.330 4.764 4.483) 6.945 14.918 ( -3.742 0.611 -16.320) 16.755 15.242 ( 5.952 -2.676 3.326) 7.325 15.866 ( -1.107 -2.943 -10.964) 11.406 17.138 ( -3.765 3.742 1.918) 5.644 17.273 ( 8.335 -1.877 -5.587) 10.209 17.320 ( 13.053 -0.820 11.846) 17.646 18.212 ( 5.990 12.028 9.231) 16.302 19.805 ( 0.341 -3.018 22.171) 22.378 20.461 ( 18.085 -10.412 -29.992) 36.537 20.757 ( -9.126 4.514 15.851) 18.839 21.465 ( -4.030 0.884 -24.006) 24.358 25.395 ( 7.418 -1.686 10.528) 12.989 25.668 ( -12.414 0.812 -10.342) 16.178 26.860 ( -9.097 -2.775 14.808) 17.600 28.121 ( 16.600 5.140 -11.097) 20.618 29.587 ( 2.452 -2.602 3.484) 4.992 30.163 ( 10.282 -4.825 -0.122) 11.359 30.508 ( -8.761 0.294 -0.754) 8.799 30.925 ( -12.570 6.450 -6.317) 15.476 31.163 ( -11.244 -4.343 -1.251) 12.118 31.647 ( -3.322 -3.025 3.176) 5.503 31.889 ( 1.414 6.522 11.199) 13.037 32.737 ( 11.876 -2.202 -5.500) 13.272 ======================= Grid point 322 (165/186) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -4.719 -0.000 22.653) 23.139 3.166 ( -18.207 -0.000 30.983) 35.937 4.296 ( -9.155 -0.000 -4.583) 10.238 4.321 ( -10.786 -0.000 20.100) 22.811 4.875 ( 9.860 0.000 14.502) 17.536 5.127 ( 1.889 0.000 8.934) 9.132 5.742 ( -0.647 -0.000 -1.848) 1.958 6.247 ( 0.542 0.000 9.237) 9.253 6.269 ( -22.756 -0.000 -18.029) 29.033 6.367 ( -3.478 -0.000 -4.995) 6.086 6.602 ( -5.871 -0.000 -3.192) 6.683 6.845 ( 2.438 0.000 1.315) 2.770 7.423 ( 2.293 0.000 1.678) 2.841 7.908 ( -22.292 -0.000 3.902) 22.631 7.990 ( -10.328 -0.000 21.906) 24.218 8.131 ( 12.336 0.000 -15.258) 19.621 8.232 ( 4.747 0.000 11.184) 12.150 8.775 ( -1.041 -0.000 -5.421) 5.520 8.802 ( -11.068 -0.000 30.335) 32.291 9.136 ( 7.834 0.000 -13.197) 15.347 9.296 ( -3.500 -0.000 3.683) 5.081 9.577 ( 2.949 0.000 6.526) 7.162 9.618 ( 5.065 0.000 3.521) 6.169 10.144 ( 15.392 0.000 -17.352) 23.195 10.150 ( -0.057 -0.000 7.489) 7.489 10.274 ( 11.795 0.000 -18.161) 21.655 10.762 ( -10.780 -0.000 8.085) 13.475 11.220 ( -18.182 -0.000 -1.638) 18.255 11.255 ( -9.162 -0.000 -1.899) 9.357 11.552 ( 0.133 0.000 -23.749) 23.750 12.471 ( -2.535 -0.000 15.017) 15.229 12.482 ( 2.969 0.000 -7.080) 7.678 12.589 ( 15.099 0.000 11.122) 18.753 13.762 ( 6.125 0.000 3.527) 7.067 13.944 ( -9.563 -0.000 -7.515) 12.162 14.654 ( 8.263 0.000 -0.029) 8.263 14.729 ( -5.568 -0.000 -22.017) 22.711 14.927 ( 4.605 0.000 7.843) 9.095 15.348 ( 9.462 0.000 -1.078) 9.524 15.753 ( -4.721 -0.000 -10.161) 11.204 17.077 ( -8.207 -0.000 1.103) 8.281 17.306 ( 6.617 0.000 -15.325) 16.693 17.577 ( 11.346 0.000 21.149) 24.001 18.414 ( 4.711 0.000 5.987) 7.618 19.858 ( -3.566 -0.000 22.043) 22.330 20.533 ( 22.500 0.000 -29.003) 36.708 20.683 ( -16.509 -0.000 13.870) 21.562 21.314 ( -3.539 -0.000 -25.232) 25.479 25.501 ( 3.081 0.000 10.744) 11.177 25.533 ( -2.594 -0.000 -5.653) 6.220 26.824 ( -3.028 -0.000 17.103) 17.369 28.274 ( 7.425 0.000 -16.571) 18.159 29.628 ( 4.094 0.000 5.613) 6.947 30.238 ( 7.962 0.000 -1.876) 8.180 30.379 ( -8.504 -0.000 -1.562) 8.646 30.756 ( -14.755 -0.000 -8.688) 17.123 31.065 ( -1.497 -0.000 7.677) 7.821 31.578 ( -5.295 -0.000 2.332) 5.786 32.016 ( 3.545 0.000 10.131) 10.733 32.812 ( 5.901 0.000 -8.640) 10.463 ======================= Grid point 323 (166/186) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -8.649 -0.000 -1.937) 8.863 3.543 ( 8.649 0.000 1.937) 8.863 4.312 ( -16.628 -0.000 -8.394) 18.626 4.312 ( 16.628 0.000 8.394) 18.626 5.259 ( 12.552 0.000 -10.718) 16.505 5.259 ( -12.552 -0.000 10.718) 16.505 5.426 ( -5.321 -0.000 -13.055) 14.098 5.426 ( 5.321 0.000 13.055) 14.098 6.309 ( -0.098 -0.000 -0.290) 0.306 6.309 ( 0.098 0.000 0.290) 0.306 6.907 ( -4.637 -0.000 -14.150) 14.891 6.907 ( 4.637 0.000 14.150) 14.891 7.496 ( -9.537 -0.000 0.635) 9.558 7.496 ( 9.537 0.000 -0.635) 9.558 7.978 ( 7.952 0.000 -7.127) 10.678 7.978 ( -7.952 -0.000 7.127) 10.678 8.544 ( 12.882 0.000 -16.996) 21.326 8.544 ( -12.882 -0.000 16.996) 21.326 9.275 ( 1.987 0.000 -6.590) 6.883 9.275 ( -1.987 -0.000 6.590) 6.883 9.646 ( -1.963 -0.000 -21.050) 21.142 9.646 ( 1.963 0.000 21.050) 21.142 9.887 ( 16.462 0.000 -30.122) 34.327 9.887 ( -16.462 -0.000 30.122) 34.327 10.065 ( 13.981 0.000 -5.989) 15.210 10.065 ( -13.981 -0.000 5.989) 15.210 10.963 ( -6.937 -0.000 -2.021) 7.225 10.963 ( 6.937 0.000 2.021) 7.225 11.015 ( 9.215 0.000 -18.566) 20.727 11.015 ( -9.215 -0.000 18.566) 20.727 12.563 ( 13.699 0.000 -7.055) 15.409 12.563 ( -13.699 -0.000 7.055) 15.409 13.328 ( -14.547 -0.000 -11.095) 18.295 13.328 ( 14.547 0.000 11.095) 18.295 14.104 ( -9.456 -0.000 -7.915) 12.332 14.104 ( 9.456 0.000 7.915) 12.332 14.995 ( -12.702 -0.000 1.217) 12.761 14.995 ( 12.702 0.000 -1.217) 12.761 15.466 ( -2.110 -0.000 -0.571) 2.186 15.466 ( 2.110 0.000 0.571) 2.186 17.007 ( 5.337 0.000 -10.157) 11.474 17.007 ( -5.337 -0.000 10.157) 11.474 18.300 ( -4.937 -0.000 -12.322) 13.274 18.300 ( 4.937 0.000 12.322) 13.274 20.458 ( 17.708 0.000 -28.940) 33.928 20.458 ( -17.708 -0.000 28.940) 33.928 20.555 ( 11.883 0.000 -19.936) 23.209 20.555 ( -11.883 -0.000 19.936) 23.209 25.605 ( 12.343 0.000 -6.557) 13.977 25.605 ( -12.343 -0.000 6.557) 13.977 27.548 ( -10.611 -0.000 -22.849) 25.193 27.548 ( 10.611 0.000 22.849) 25.193 30.058 ( -10.470 -0.000 -8.928) 13.759 30.058 ( 10.470 0.000 8.928) 13.759 30.347 ( 1.019 0.000 -4.499) 4.613 30.347 ( -1.019 -0.000 4.499) 4.613 31.377 ( -6.865 -0.000 -4.633) 8.282 31.377 ( 6.865 0.000 4.633) 8.282 32.461 ( -4.476 -0.000 -12.659) 13.427 32.461 ( 4.476 0.000 12.659) 13.427 ======================= Grid point 325 (167/186) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -7.909 4.392 -11.526) 14.653 3.664 ( 7.389 -4.423 -3.629) 9.345 4.153 ( -3.922 -1.837 -0.797) 4.403 4.553 ( 17.247 1.028 -5.307) 18.074 5.062 ( -7.231 9.691 -1.112) 12.143 5.275 ( 6.603 5.671 0.772) 8.738 5.542 ( 1.579 -2.680 7.411) 8.037 5.579 ( 13.278 -8.242 4.877) 16.372 6.312 ( -0.631 -0.119 0.363) 0.737 6.355 ( 2.353 -2.653 1.619) 3.898 6.821 ( -4.124 -4.241 -9.406) 11.111 6.987 ( 2.657 -1.189 1.113) 3.116 7.454 ( -4.189 -5.605 -2.129) 7.314 7.708 ( 11.472 -4.594 4.295) 13.082 7.856 ( -9.998 0.815 -4.318) 10.921 8.129 ( 4.096 -10.524 7.587) 13.605 8.459 ( -8.950 -0.693 15.793) 18.166 8.660 ( 11.701 -1.841 -11.545) 16.540 9.140 ( -8.756 6.379 -8.158) 13.562 9.279 ( -3.932 -2.316 5.153) 6.883 9.542 ( -7.133 1.064 -12.717) 14.619 9.714 ( -14.474 -1.447 11.057) 18.272 9.769 ( -2.341 0.121 16.486) 16.652 9.947 ( 10.735 -5.614 -15.020) 19.297 9.989 ( -4.930 -1.165 2.320) 5.571 10.294 ( 14.791 -4.333 -3.163) 15.734 10.884 ( 0.687 1.954 0.451) 2.120 10.993 ( 9.603 5.653 -0.529) 11.156 11.032 ( -3.830 -4.329 5.310) 7.849 11.228 ( 12.268 -8.800 -5.288) 15.998 12.388 ( -10.691 4.644 5.603) 12.933 12.613 ( 3.178 10.715 -5.288) 12.364 13.079 ( -7.354 0.541 -13.966) 15.794 13.482 ( 11.089 8.879 11.610) 18.347 13.909 ( -10.790 4.284 -5.047) 12.659 14.235 ( 8.688 2.729 9.265) 12.991 14.876 ( -12.837 -7.052 -1.199) 14.696 15.130 ( 4.595 -1.074 -6.738) 8.226 15.443 ( -1.737 -2.018 -1.953) 3.302 15.507 ( 2.904 -0.445 5.286) 6.048 16.975 ( -6.822 0.456 14.005) 15.585 17.049 ( 4.270 -1.577 -3.139) 5.529 18.086 ( -10.045 8.290 -10.909) 16.989 18.311 ( 1.170 9.574 7.619) 12.291 20.261 ( -22.183 -3.470 20.378) 30.321 20.452 ( 5.532 -1.799 -26.051) 26.693 20.631 ( 1.235 -0.449 24.689) 24.724 20.794 ( 22.673 -1.705 -17.504) 28.695 25.476 ( -9.167 0.462 4.243) 10.112 25.726 ( 9.355 -0.801 -9.475) 13.339 27.316 ( -7.634 1.109 -20.386) 21.796 27.741 ( 6.703 3.518 22.012) 23.277 29.895 ( -10.043 -1.341 -7.188) 12.423 30.235 ( 6.438 -3.840 8.542) 11.365 30.333 ( -1.713 0.218 0.057) 1.727 30.395 ( 3.903 -1.596 3.388) 5.409 31.297 ( -3.458 -1.611 -6.971) 7.946 31.518 ( 9.543 -2.624 0.985) 9.946 32.318 ( -6.265 2.672 -11.882) 13.696 32.541 ( 0.996 1.617 14.232) 14.359 ======================= Grid point 326 (168/186) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -6.536 9.048 -15.711) 19.272 3.878 ( 11.687 -8.436 -2.364) 14.606 4.226 ( 3.668 -4.509 7.355) 9.375 4.679 ( 12.352 1.867 -16.879) 20.999 4.867 ( -1.552 4.607 -7.492) 8.931 5.308 ( 3.939 2.278 6.145) 7.646 5.585 ( 0.523 -1.296 3.993) 4.230 5.935 ( 13.394 -4.545 15.063) 20.663 6.300 ( 0.186 0.178 -0.092) 0.273 6.417 ( 4.112 2.093 2.444) 5.221 6.774 ( -6.157 -1.543 -4.590) 7.833 7.093 ( 5.273 -2.608 3.866) 7.040 7.516 ( 1.190 -4.201 -1.224) 4.534 7.680 ( -7.500 -7.238 -15.601) 18.763 7.896 ( 0.995 -1.271 2.464) 2.946 8.223 ( -5.224 -2.640 3.152) 6.648 8.640 ( 4.104 -9.520 11.163) 15.234 8.773 ( -1.264 -1.228 -13.208) 13.325 8.930 ( 2.448 -6.173 0.939) 6.707 9.216 ( -14.994 2.211 18.942) 24.259 9.419 ( 0.896 -4.491 -13.677) 14.424 9.683 ( -2.786 -0.861 4.631) 5.473 9.771 ( -6.391 -5.660 5.131) 9.960 9.927 ( -3.981 -0.391 -2.126) 4.530 10.138 ( 6.154 -2.151 -5.923) 8.808 10.492 ( 7.284 -2.443 -0.331) 7.690 10.916 ( 9.090 3.302 1.524) 9.790 11.071 ( -4.180 -4.964 7.010) 9.552 11.146 ( 15.277 -5.790 2.148) 16.479 11.444 ( 6.315 -5.871 -10.202) 13.358 12.162 ( -11.068 15.605 -1.185) 19.168 12.301 ( -4.495 14.784 2.497) 15.653 13.087 ( 5.487 -7.493 -17.599) 19.899 13.473 ( 6.597 14.083 11.209) 19.170 13.680 ( -9.194 6.132 -1.264) 11.124 14.348 ( 9.917 3.591 9.262) 14.037 14.815 ( -12.628 -7.016 -1.825) 14.561 15.051 ( -7.220 3.812 -4.808) 9.475 15.469 ( 2.569 -3.730 -10.835) 11.743 15.605 ( 1.351 -2.617 11.032) 11.419 16.943 ( -6.841 -0.376 16.495) 17.861 17.145 ( 4.816 -3.805 0.983) 6.215 17.742 ( -12.549 11.531 -6.893) 18.384 18.140 ( -0.245 15.478 0.005) 15.480 20.186 ( -16.337 -9.169 19.793) 27.253 20.462 ( 7.217 -1.965 -24.631) 25.741 20.763 ( 2.625 0.881 25.714) 25.862 20.980 ( 14.844 0.118 -19.580) 24.571 25.405 ( -1.636 1.499 4.530) 5.044 25.773 ( 0.780 -2.067 -11.918) 12.121 27.190 ( 1.564 -0.887 -16.076) 16.176 27.784 ( -1.733 6.714 17.971) 19.262 29.784 ( -5.955 -1.561 -4.767) 7.786 30.294 ( 0.036 2.940 0.688) 3.020 30.412 ( -1.086 -10.347 4.758) 11.441 30.514 ( 7.270 -1.063 8.517) 11.248 31.272 ( -0.024 -2.356 -6.969) 7.356 31.688 ( 7.478 -4.039 -0.885) 8.545 32.124 ( -5.335 6.033 -13.060) 15.343 32.567 ( -2.077 1.730 14.384) 14.636 ======================= Grid point 327 (169/186) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -3.581 7.393 -10.494) 13.327 4.107 ( 8.136 -3.066 -0.498) 8.708 4.421 ( 6.004 -7.353 8.255) 12.580 4.701 ( 7.075 1.542 -14.842) 16.514 4.835 ( 1.411 -1.736 -5.299) 5.752 5.357 ( 2.859 0.710 6.596) 7.224 5.624 ( -1.746 -2.877 -1.449) 3.664 6.100 ( 5.619 5.256 14.470) 16.388 6.331 ( 1.032 -1.908 -2.081) 3.006 6.433 ( 2.758 2.788 0.313) 3.934 6.695 ( -5.108 -1.730 -2.753) 6.055 7.190 ( 4.366 -1.126 3.160) 5.506 7.457 ( -4.588 4.418 2.364) 6.794 7.733 ( -4.058 0.597 -10.342) 11.126 7.872 ( 4.247 -1.447 6.587) 7.970 8.276 ( -7.467 -15.469 -9.913) 19.832 8.592 ( -2.900 1.590 -4.544) 5.621 8.821 ( 13.756 0.482 -8.619) 16.241 9.014 ( -13.713 0.035 15.808) 20.927 9.350 ( 1.425 -14.412 2.946) 14.779 9.584 ( 12.306 -13.693 -4.575) 18.970 9.671 ( -4.538 -0.540 10.364) 11.327 9.747 ( -7.172 -2.595 -1.170) 7.716 9.949 ( 3.258 -5.507 -0.820) 6.451 10.075 ( -3.947 8.850 3.746) 10.389 10.524 ( 1.746 4.608 -10.707) 11.786 11.021 ( 8.037 4.980 13.113) 16.166 11.134 ( 3.683 -0.724 6.447) 7.460 11.362 ( -6.871 -0.689 -15.909) 17.343 11.557 ( 1.350 -14.445 3.050) 14.825 11.746 ( -4.583 9.830 -7.182) 13.008 12.210 ( 10.461 10.228 6.792) 16.130 13.171 ( -1.759 -7.353 -18.891) 20.348 13.366 ( 2.812 14.209 10.321) 17.785 13.528 ( -1.512 2.651 2.226) 3.777 14.466 ( 10.612 4.107 7.375) 13.560 14.713 ( -9.739 -0.950 -2.128) 10.014 14.868 ( -10.845 0.798 -1.751) 11.014 15.513 ( 4.143 -2.288 -11.728) 12.647 15.672 ( -2.547 -1.519 10.085) 10.512 16.956 ( -4.084 -2.315 14.753) 15.482 17.274 ( 4.662 -3.192 -0.394) 5.664 17.420 ( -9.634 7.032 -3.135) 12.332 17.904 ( -0.299 13.401 -4.073) 14.009 20.231 ( -10.724 -9.546 17.294) 22.477 20.475 ( 7.025 0.456 -20.302) 21.488 20.878 ( 2.433 2.978 25.678) 25.964 21.025 ( 5.750 -0.518 -22.215) 22.953 25.429 ( 5.335 2.285 6.781) 8.925 25.711 ( -6.719 -2.662 -11.931) 13.950 27.251 ( 10.230 -4.148 -12.433) 16.627 27.665 ( -9.399 7.617 13.557) 18.170 29.737 ( -2.171 -0.977 -2.262) 3.284 30.257 ( -0.591 1.706 0.664) 1.924 30.533 ( 0.400 -4.777 2.214) 5.280 30.663 ( 3.422 -3.360 7.350) 8.776 31.322 ( 4.371 -3.815 -2.930) 6.500 31.772 ( -6.309 -2.154 2.411) 7.089 31.932 ( 3.979 7.014 -14.758) 16.818 32.569 ( -2.252 0.714 9.808) 10.089 ======================= Grid point 328 (170/186) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 -0.000 -0.000) 0.000 4.177 ( 0.000 -0.000 -0.000) 0.000 4.548 ( 0.000 -0.000 -0.000) 0.000 4.721 ( -0.000 -0.000 0.000) 0.000 4.850 ( 0.000 -0.000 -0.000) 0.000 5.397 ( 0.000 -0.000 -0.000) 0.000 5.613 ( 0.000 -0.000 -0.000) 0.000 6.132 ( 0.000 -0.000 -0.000) 0.000 6.353 ( -0.000 -0.000 -0.000) 0.000 6.403 ( 0.000 -0.000 -0.000) 0.000 6.679 ( 0.000 -0.000 -0.000) 0.000 7.250 ( 0.000 -0.000 -0.000) 0.000 7.384 ( 0.000 -0.000 -0.000) 0.000 7.631 ( 0.000 -0.000 -0.000) 0.000 7.947 ( -0.000 -0.000 -0.000) 0.000 8.329 ( 0.000 -0.000 0.000) 0.000 8.566 ( -0.000 -0.000 -0.000) 0.000 8.894 ( -0.000 -0.000 -0.000) 0.000 8.990 ( 0.000 0.000 -0.000) 0.000 9.441 ( -0.000 -0.000 -0.000) 0.000 9.641 ( -0.000 -0.000 0.000) 0.000 9.661 ( 0.000 0.000 -0.000) 0.000 9.894 ( -0.000 0.000 0.000) 0.000 9.927 ( 0.000 -0.000 -0.000) 0.000 10.226 ( -0.000 0.000 -0.000) 0.000 10.283 ( 0.000 -0.000 0.000) 0.000 11.070 ( -0.000 -0.000 0.000) 0.000 11.102 ( 0.000 0.000 -0.000) 0.000 11.336 ( 0.000 -0.000 -0.000) 0.000 11.497 ( -0.000 -0.000 -0.000) 0.000 11.820 ( 0.000 -0.000 -0.000) 0.000 12.256 ( 0.000 -0.000 -0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 -0.000 -0.000) 0.000 13.534 ( 0.000 -0.000 -0.000) 0.000 14.537 ( 0.000 -0.000 -0.000) 0.000 14.633 ( 0.000 -0.000 -0.000) 0.000 14.775 ( 0.000 -0.000 -0.000) 0.000 15.534 ( 0.000 -0.000 -0.000) 0.000 15.683 ( -0.000 -0.000 0.000) 0.000 16.994 ( 0.000 -0.000 -0.000) 0.000 17.248 ( -0.000 -0.000 -0.000) 0.000 17.376 ( 0.000 -0.000 -0.000) 0.000 17.777 ( 0.000 -0.000 -0.000) 0.000 20.277 ( 0.000 -0.000 -0.000) 0.000 20.470 ( -0.000 -0.000 0.000) 0.000 20.940 ( 0.000 -0.000 -0.000) 0.000 21.001 ( 0.000 -0.000 0.000) 0.000 25.489 ( 0.000 -0.000 0.000) 0.000 25.632 ( -0.000 -0.000 -0.000) 0.000 27.407 ( -0.000 -0.000 -0.000) 0.000 27.493 ( 0.000 -0.000 -0.000) 0.000 29.727 ( 0.000 -0.000 -0.000) 0.000 30.241 ( -0.000 -0.000 -0.000) 0.000 30.576 ( -0.000 -0.000 -0.000) 0.000 30.728 ( 0.000 -0.000 -0.000) 0.000 31.419 ( 0.000 -0.000 -0.000) 0.000 31.669 ( 0.000 -0.000 -0.000) 0.000 31.910 ( 0.000 -0.000 -0.000) 0.000 32.570 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 334 (171/186) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 2.058 0.000 -9.797) 10.011 3.653 ( 9.536 0.000 -15.136) 17.890 4.191 ( 7.506 0.000 4.282) 8.641 4.720 ( 13.334 0.000 -14.585) 19.761 4.987 ( -12.987 -0.000 -5.109) 13.956 5.333 ( 2.565 0.000 -3.532) 4.365 5.592 ( 4.310 0.000 10.814) 11.641 5.926 ( 29.209 0.000 11.119) 31.253 6.327 ( 1.182 0.000 1.297) 1.755 6.340 ( 1.050 0.000 1.507) 1.836 6.675 ( -0.811 -0.000 -12.996) 13.022 6.940 ( -5.236 -0.000 -4.597) 6.968 7.422 ( 0.222 0.000 3.342) 3.350 7.822 ( -9.762 -0.000 13.834) 16.931 7.845 ( 13.881 0.000 1.185) 13.931 8.066 ( 1.147 0.000 0.988) 1.514 8.431 ( -6.432 -0.000 24.640) 25.465 8.726 ( 11.195 0.000 -20.207) 23.101 9.084 ( -10.823 -0.000 -4.480) 11.713 9.127 ( -5.934 -0.000 0.516) 5.956 9.431 ( -25.959 -0.000 25.853) 36.637 9.521 ( 3.335 0.000 -18.316) 18.617 9.856 ( -10.797 -0.000 28.537) 30.511 9.890 ( 5.442 0.000 -22.848) 23.487 9.957 ( 3.456 0.000 -5.085) 6.148 10.384 ( 11.896 0.000 -15.811) 19.786 10.922 ( 6.081 0.000 -4.918) 7.821 11.002 ( -3.869 -0.000 18.872) 19.265 11.285 ( 19.970 0.000 -11.219) 22.906 11.296 ( 13.266 0.000 3.872) 13.819 12.340 ( -4.879 -0.000 6.850) 8.410 12.613 ( -15.797 -0.000 -3.109) 16.100 12.970 ( 4.917 0.000 -20.726) 21.302 13.733 ( 7.354 0.000 12.709) 14.683 13.791 ( -9.801 -0.000 -1.991) 10.001 14.379 ( 4.026 0.000 13.288) 13.885 14.673 ( -7.007 -0.000 -2.564) 7.462 15.138 ( 1.999 0.000 -12.704) 12.860 15.361 ( -5.518 -0.000 -1.605) 5.747 15.589 ( 5.678 0.000 6.441) 8.587 16.951 ( -8.215 -0.000 18.536) 20.275 17.068 ( 2.073 0.000 1.418) 2.512 17.928 ( -15.064 -0.000 -12.039) 19.283 18.402 ( -2.626 -0.000 6.437) 6.952 20.023 ( -20.693 -0.000 20.477) 29.112 20.385 ( 4.962 0.000 -28.836) 29.260 20.787 ( 4.980 0.000 26.514) 26.977 21.009 ( 20.306 0.000 -18.424) 27.419 25.430 ( -0.982 -0.000 4.882) 4.980 25.738 ( 0.435 0.000 -13.087) 13.094 27.182 ( -0.335 -0.000 -18.528) 18.531 27.899 ( -1.593 -0.000 20.400) 20.462 29.734 ( -7.816 -0.000 -5.148) 9.359 30.182 ( -5.944 -0.000 3.711) 7.007 30.376 ( 4.530 0.000 -0.938) 4.626 30.537 ( 10.043 0.000 12.879) 16.332 31.238 ( 0.993 0.000 -9.168) 9.222 31.617 ( 7.641 0.000 -0.836) 7.687 32.220 ( -4.199 -0.000 -10.208) 11.038 32.592 ( -3.575 -0.000 12.974) 13.458 ======================= Grid point 335 (172/186) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 9.184 14.673 -13.070) 21.690 3.890 ( 17.436 -10.454 -7.933) 21.823 4.325 ( 8.907 0.483 7.357) 11.563 4.785 ( -2.786 0.247 -10.369) 10.739 4.803 ( 5.708 1.157 -19.678) 20.522 5.342 ( 1.389 0.327 -3.491) 3.771 5.636 ( -0.169 3.349 5.701) 6.615 6.222 ( 16.463 4.675 9.550) 19.598 6.323 ( 0.735 2.469 2.280) 3.440 6.470 ( 4.088 -3.571 3.123) 6.262 6.675 ( -2.656 -0.297 -3.855) 4.691 7.004 ( 6.895 -19.147 -4.641) 20.873 7.404 ( -2.078 1.177 -5.754) 6.230 7.640 ( -5.367 8.870 9.076) 13.780 8.025 ( 4.465 0.518 6.239) 7.690 8.145 ( -1.594 -3.727 2.150) 4.588 8.513 ( -7.225 -4.046 23.466) 24.884 8.778 ( 11.509 -1.164 -19.449) 22.630 8.898 ( -1.651 0.184 -2.575) 3.065 9.125 ( -14.220 0.491 26.125) 29.748 9.297 ( -0.304 -8.174 -0.024) 8.180 9.532 ( -2.475 -6.953 -10.589) 12.908 9.726 ( -12.046 2.973 15.289) 19.690 9.856 ( 0.851 -0.352 -15.240) 15.268 10.089 ( 3.791 -8.114 -5.737) 10.636 10.476 ( 6.664 -3.843 -16.373) 18.090 11.010 ( 8.186 -0.748 -1.267) 8.318 11.059 ( -1.911 -2.550 16.999) 17.295 11.420 ( 13.080 6.041 2.700) 14.658 11.481 ( 11.197 2.843 -9.058) 14.680 12.233 ( -10.873 12.552 0.168) 16.608 12.383 ( -0.713 0.881 4.793) 4.925 12.977 ( 3.981 -3.591 -23.761) 24.359 13.639 ( -6.080 4.720 2.326) 8.041 13.778 ( 0.852 7.750 11.152) 13.607 14.519 ( 6.289 -2.954 14.771) 16.323 14.614 ( -4.884 -0.043 -0.179) 4.887 15.023 ( -3.110 6.739 -11.332) 13.547 15.355 ( -0.575 -7.471 -7.597) 10.671 15.678 ( 3.694 1.648 7.525) 8.543 16.916 ( -8.145 -0.087 18.685) 20.384 17.134 ( 1.184 -3.991 5.189) 6.653 17.621 ( -17.828 4.415 -9.811) 20.823 18.293 ( -4.908 9.733 0.885) 10.937 19.918 ( -16.383 -7.778 20.154) 27.113 20.354 ( 2.970 -5.276 -29.371) 29.989 20.961 ( 6.253 1.858 25.419) 26.242 21.128 ( 13.583 3.878 -20.084) 24.554 25.488 ( 6.634 1.358 7.189) 9.876 25.642 ( -6.907 -1.608 -13.543) 15.287 27.169 ( 7.761 -1.411 -15.980) 17.821 27.855 ( -11.101 4.267 15.332) 19.404 29.653 ( -5.258 -2.735 -3.250) 6.760 30.141 ( -9.184 -5.789 1.995) 11.038 30.462 ( 9.146 1.025 2.704) 9.593 30.715 ( 10.363 2.015 13.860) 17.423 31.245 ( 4.314 -1.269 -7.626) 8.853 31.686 ( -0.721 -2.291 0.175) 2.408 32.129 ( 2.727 4.516 -12.782) 13.828 32.569 ( -6.885 -0.396 10.823) 12.833 ======================= Grid point 336 (173/186) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 13.922 19.678 -10.352) 26.234 4.171 ( 8.947 -2.381 -2.696) 9.642 4.500 ( 11.052 -2.423 8.124) 13.929 4.733 ( -3.410 -5.693 -6.663) 9.404 4.795 ( 9.713 4.295 -20.961) 23.498 5.361 ( -0.116 -2.781 -0.276) 2.797 5.565 ( -4.667 2.212 -0.926) 5.247 6.277 ( -0.499 5.631 0.245) 5.658 6.373 ( 7.945 1.507 5.818) 9.962 6.451 ( -4.872 2.763 -0.692) 5.644 6.670 ( 3.423 0.238 3.687) 5.036 7.276 ( -2.720 2.709 -2.721) 4.705 7.370 ( 0.629 -8.817 0.482) 8.853 7.682 ( 9.238 -6.825 -0.626) 11.503 8.023 ( 2.781 3.340 11.776) 12.553 8.081 ( -4.189 3.913 -4.975) 7.590 8.458 ( -9.639 -6.221 -0.174) 11.474 8.885 ( 2.297 -0.635 0.509) 2.436 8.998 ( -4.970 3.014 19.261) 20.119 9.197 ( 12.401 -15.353 3.865) 20.111 9.514 ( 1.905 -9.061 2.158) 9.507 9.558 ( -2.759 -9.211 -7.755) 12.353 9.656 ( -1.945 -3.121 7.234) 8.115 9.857 ( 1.016 -7.031 -6.204) 9.432 10.140 ( -1.339 2.358 -2.014) 3.378 10.513 ( 3.149 -0.648 -14.288) 14.645 11.105 ( -8.913 1.488 21.329) 23.164 11.119 ( -1.172 -1.027 -12.508) 12.605 11.279 ( -6.134 1.284 -2.934) 6.920 11.620 ( 16.697 4.600 1.573) 17.390 11.939 ( 3.710 16.619 -3.384) 17.361 12.462 ( 8.719 3.745 5.188) 10.815 12.963 ( -0.849 -5.079 -21.110) 21.729 13.549 ( -1.544 3.750 4.131) 5.789 13.656 ( -0.773 12.009 8.230) 14.579 14.499 ( -12.421 -0.346 0.378) 12.431 14.735 ( 12.038 -0.506 13.547) 18.130 14.840 ( -0.164 8.342 -6.740) 10.726 15.460 ( 5.504 -6.879 -12.371) 15.187 15.681 ( -3.544 2.736 10.391) 11.314 16.918 ( -5.684 -2.936 16.210) 17.427 17.238 ( -1.150 -5.803 5.237) 7.901 17.308 ( -12.955 2.305 -9.615) 16.297 18.034 ( -6.143 12.894 -4.829) 15.077 19.971 ( -13.585 -13.325 23.023) 29.869 20.364 ( 1.509 -8.761 -29.810) 31.107 21.087 ( 5.808 6.796 2.476) 9.277 21.105 ( 8.311 5.592 -0.672) 10.039 25.478 ( -7.350 -0.695 -9.774) 12.250 25.644 ( 8.665 0.729 8.509) 12.166 27.279 ( 11.287 -4.202 -14.077) 18.526 27.649 ( -15.541 5.832 10.829) 19.819 29.636 ( -4.033 -4.497 -1.704) 6.276 30.113 ( -10.106 -7.308 0.115) 12.472 30.581 ( 9.341 2.636 3.238) 10.232 30.859 ( 10.300 4.537 10.895) 15.665 31.338 ( 7.448 -3.322 -0.975) 8.213 31.653 ( -8.751 -1.573 3.852) 9.690 32.044 ( 5.537 7.366 -14.107) 16.850 32.536 ( -5.572 -2.262 4.677) 7.619 ======================= Grid point 337 (174/186) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 17.301 16.674 -2.755) 24.185 4.189 ( -1.579 3.335 -1.099) 3.850 4.617 ( 4.870 6.509 -3.653) 8.912 4.739 ( 0.079 -0.414 1.036) 1.118 4.822 ( 1.807 -2.879 -4.721) 5.817 5.308 ( -10.684 0.510 0.942) 10.737 5.563 ( 4.052 -7.000 -10.497) 13.252 6.144 ( -2.462 7.626 -4.432) 9.158 6.344 ( -5.256 2.670 3.314) 6.763 6.444 ( 0.543 1.538 2.299) 2.819 6.727 ( 5.880 0.937 4.079) 7.218 7.248 ( -1.452 -4.031 -1.313) 4.481 7.433 ( 5.174 4.674 4.369) 8.229 7.695 ( 2.119 4.817 0.486) 5.285 7.955 ( -2.269 4.573 -2.489) 5.679 8.343 ( 10.871 -17.168 -1.605) 20.383 8.489 ( -0.450 -8.188 -1.136) 8.278 8.793 ( -13.953 3.744 19.957) 24.637 9.070 ( 7.980 -1.218 1.712) 8.251 9.490 ( 7.367 -0.004 -1.568) 7.532 9.567 ( -5.788 -6.119 16.224) 18.280 9.674 ( 5.238 -5.830 -15.599) 17.457 9.793 ( 9.828 -8.527 -17.749) 22.007 9.966 ( -6.842 5.893 6.826) 11.319 10.145 ( 3.659 -13.787 15.218) 20.858 10.369 ( -7.200 16.362 -5.162) 18.606 10.872 ( -5.770 -6.608 -17.811) 19.854 10.988 ( -15.517 2.581 13.645) 20.824 11.451 ( 8.244 -10.109 -1.651) 13.148 11.723 ( 5.042 3.232 0.885) 6.054 11.807 ( 10.160 13.899 -1.468) 17.279 12.379 ( -4.113 16.853 -1.421) 17.406 13.000 ( 5.361 -7.044 -12.082) 14.978 13.443 ( -0.962 7.635 8.495) 11.462 13.579 ( 0.693 5.834 2.711) 6.470 14.336 ( -15.238 -3.836 -2.005) 15.841 14.757 ( 6.641 5.267 -1.288) 8.574 14.934 ( 13.898 3.231 6.933) 15.864 15.543 ( 0.647 0.092 1.744) 1.863 15.656 ( -0.719 -2.947 0.061) 3.034 16.965 ( -2.594 -3.079 4.451) 6.002 17.154 ( -6.697 -5.615 -3.081) 9.267 17.328 ( -0.560 -4.646 0.550) 4.712 17.772 ( -6.689 6.619 -4.492) 10.428 20.111 ( -11.331 -13.901 24.592) 30.437 20.388 ( 1.320 -8.411 -28.271) 29.525 20.974 ( 7.928 10.274 -21.877) 25.436 21.158 ( 0.665 6.167 21.391) 22.272 25.372 ( -4.420 -1.557 -7.820) 9.116 25.778 ( 6.631 1.846 11.500) 13.402 27.391 ( -8.819 3.993 6.265) 11.532 27.460 ( 4.813 -5.004 -10.401) 12.505 29.659 ( -2.557 -5.213 0.032) 5.806 30.093 ( -9.241 -8.191 -1.738) 12.470 30.635 ( 6.275 5.423 1.519) 8.432 30.929 ( 9.224 8.790 3.958) 13.343 31.423 ( -1.941 2.055 0.760) 2.927 31.662 ( 3.180 -6.114 12.673) 14.426 31.939 ( -0.066 5.557 -8.435) 10.101 32.521 ( -2.504 -2.713 -5.367) 6.515 ======================= Grid point 338 (175/186) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 19.049 8.518 6.449) 21.840 4.048 ( -9.456 5.092 -1.621) 10.862 4.484 ( 1.415 10.954 -10.949) 15.552 4.695 ( -3.898 3.736 9.563) 10.982 4.832 ( -5.023 0.770 8.494) 9.898 5.191 ( -8.515 -5.051 -10.255) 14.255 5.678 ( 4.603 -2.150 -4.625) 6.870 5.976 ( -3.796 4.754 -7.068) 9.325 6.272 ( -5.229 -3.626 -2.218) 6.739 6.374 ( -5.749 3.217 1.077) 6.675 6.838 ( 8.732 1.936 5.355) 10.425 7.208 ( -3.499 6.250 -0.967) 7.227 7.463 ( 6.321 -0.523 -1.364) 6.488 7.823 ( 11.844 -5.160 5.792) 14.158 7.859 ( -2.565 3.878 -1.887) 5.018 8.505 ( -3.670 -9.290 -7.113) 12.262 8.643 ( -7.191 -3.722 12.897) 15.228 8.751 ( 12.603 8.331 15.459) 21.615 9.173 ( 9.756 5.638 -2.711) 11.590 9.425 ( -1.199 4.045 3.160) 5.270 9.638 ( -1.684 2.525 -2.912) 4.206 9.739 ( -1.802 9.432 -6.106) 11.380 9.812 ( 0.633 1.275 -4.447) 4.669 9.953 ( -6.896 3.005 1.311) 7.636 9.987 ( 4.864 -5.941 -1.100) 7.757 10.373 ( -4.699 -9.998 -4.171) 11.808 10.801 ( -13.092 -0.278 8.363) 15.537 11.071 ( 10.511 -11.411 -5.969) 16.623 11.583 ( -5.041 11.634 0.416) 12.686 11.729 ( 3.900 -10.659 -2.718) 11.671 11.749 ( -0.800 6.551 1.936) 6.878 12.011 ( 0.178 14.367 0.916) 14.397 13.127 ( 3.360 -7.087 -12.097) 14.418 13.378 ( -4.932 11.529 14.391) 19.088 13.534 ( 5.489 -2.509 0.607) 6.066 14.200 ( -14.024 -5.838 -4.550) 15.857 14.861 ( 11.473 -1.486 1.452) 11.660 15.064 ( 11.689 3.943 0.006) 12.337 15.537 ( -4.399 1.105 15.979) 16.610 15.692 ( 4.394 1.016 -11.013) 11.900 16.960 ( 2.192 -0.500 -11.522) 11.739 17.195 ( -7.778 -4.431 4.664) 10.093 17.400 ( 4.458 -7.630 -1.732) 9.005 17.702 ( -5.538 -9.881 1.172) 11.387 20.256 ( -7.350 -9.264 20.400) 23.580 20.404 ( 1.617 -5.765 -22.075) 22.873 20.842 ( 8.151 9.441 -21.488) 24.845 21.107 ( -6.630 7.678 20.146) 22.556 25.357 ( 3.043 -1.536 -4.523) 5.664 25.833 ( -2.039 1.780 10.378) 10.725 27.250 ( -5.330 3.198 12.281) 13.764 27.578 ( 3.565 -6.729 -15.586) 17.347 29.727 ( 0.795 -5.296 2.270) 5.816 30.094 ( -8.154 -9.057 -3.464) 12.669 30.613 ( 4.010 7.630 2.196) 8.895 30.848 ( 4.053 13.980 -5.558) 15.581 31.361 ( 0.159 3.364 5.726) 6.643 31.806 ( -6.786 3.712 -1.572) 7.893 31.919 ( 8.737 -6.956 14.703) 18.463 32.497 ( -1.403 -2.961 -13.624) 14.013 ======================= Grid point 339 (176/186) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 17.781 1.619 12.104) 21.571 3.800 ( -13.591 4.895 -4.258) 15.060 4.325 ( 6.963 9.991 -10.228) 15.903 4.576 ( -13.862 4.070 12.259) 18.948 4.842 ( 0.592 -3.445 11.016) 11.558 5.097 ( -9.427 -4.766 -12.722) 16.536 5.677 ( 4.167 6.683 0.613) 7.900 5.848 ( -4.763 4.332 -10.385) 12.219 6.276 ( -3.036 -1.312 0.570) 3.356 6.290 ( -2.782 -5.619 -1.661) 6.486 6.914 ( 6.233 3.743 3.236) 7.958 7.061 ( -4.003 4.743 -1.763) 6.452 7.555 ( 6.160 -0.446 -1.691) 6.404 7.739 ( -7.269 2.316 1.942) 7.872 8.100 ( 13.508 -2.028 7.688) 15.674 8.467 ( -4.905 3.114 -10.433) 11.942 8.593 ( 4.533 17.479 19.099) 26.284 8.908 ( 9.674 -6.282 16.380) 20.034 9.064 ( -10.513 30.808 -16.787) 36.626 9.205 ( -1.359 -4.964 -13.548) 14.492 9.507 ( 5.110 -2.522 16.614) 17.564 9.700 ( 5.113 -0.037 -15.248) 16.082 9.899 ( 1.154 3.467 -1.042) 3.800 9.971 ( 0.707 -7.284 6.902) 10.060 10.067 ( -2.684 0.236 7.154) 7.645 10.329 ( -7.190 -3.048 -17.416) 19.087 10.768 ( -1.645 -3.185 7.265) 8.101 11.059 ( -15.072 8.271 -4.741) 17.834 11.315 ( 9.168 12.932 -3.024) 16.138 11.544 ( -7.494 13.223 6.529) 16.542 12.062 ( 8.363 -19.667 3.023) 21.584 12.110 ( 4.367 -13.210 -1.295) 13.973 13.178 ( -7.169 7.614 12.100) 15.993 13.189 ( -1.019 -6.612 -12.390) 14.081 13.741 ( 10.796 -6.175 4.911) 13.372 14.094 ( -12.213 -6.247 -6.041) 14.990 15.044 ( 9.578 -0.577 3.625) 10.257 15.136 ( 6.207 1.456 -2.939) 7.020 15.521 ( -2.836 3.738 15.282) 15.986 15.622 ( 0.571 5.984 -12.617) 13.976 16.970 ( 6.241 -0.197 -12.466) 13.942 17.101 ( -8.340 1.222 3.895) 9.286 17.684 ( 7.976 -16.604 2.165) 18.547 17.861 ( -4.657 -18.072 0.453) 18.668 20.350 ( 1.550 -2.255 4.521) 5.284 20.422 ( -1.094 -4.338 -5.651) 7.208 20.740 ( 8.892 8.242 -19.711) 23.141 20.932 ( -14.126 8.330 19.062) 25.146 25.453 ( 10.466 -0.983 -3.173) 10.981 25.758 ( -10.921 1.137 7.426) 13.255 27.286 ( 4.362 -0.348 16.640) 17.206 27.594 ( -3.992 -5.422 -18.215) 19.419 29.859 ( 5.731 -4.922 4.826) 8.964 30.102 ( -8.189 -8.587 -5.141) 12.932 30.544 ( 2.009 8.997 3.924) 10.019 30.629 ( 0.794 14.515 -7.920) 16.554 31.378 ( 5.511 3.576 5.917) 8.841 31.631 ( -9.688 4.304 -1.037) 10.651 32.185 ( 7.198 -5.827 15.747) 18.268 32.458 ( -2.315 -3.766 -16.740) 17.314 ======================= Grid point 340 (177/186) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( -13.105 0.712 -9.309) 16.090 3.548 ( 13.105 0.712 9.309) 16.090 4.343 ( 0.446 3.716 -8.190) 9.004 4.343 ( -0.446 3.716 8.190) 9.004 5.026 ( 1.804 -8.069 -23.142) 24.575 5.026 ( -1.804 -8.069 23.142) 24.575 5.633 ( -0.897 9.002 -1.847) 9.233 5.633 ( 0.897 9.002 1.847) 9.233 6.320 ( -1.838 -2.554 -1.058) 3.320 6.320 ( 1.838 -2.554 1.058) 3.320 6.944 ( -4.375 2.610 -3.134) 5.981 6.944 ( 4.375 2.610 3.134) 5.981 7.624 ( 0.517 2.209 -11.068) 11.298 7.624 ( -0.517 2.209 11.068) 11.298 8.191 ( -6.047 16.841 -23.035) 29.168 8.191 ( 6.047 16.841 23.035) 29.168 8.564 ( -0.275 4.623 -17.156) 17.770 8.564 ( 0.275 4.623 17.156) 17.770 9.194 ( -5.641 -6.195 -11.691) 14.383 9.194 ( 5.641 -6.195 11.691) 14.383 9.680 ( 3.140 -1.692 -27.436) 27.667 9.680 ( -3.140 -1.692 27.436) 27.667 9.895 ( 13.744 4.344 -16.159) 21.654 9.895 ( -13.744 4.344 16.159) 21.654 10.150 ( -11.221 2.739 -6.004) 13.018 10.150 ( 11.221 2.739 6.004) 13.018 10.849 ( -3.024 -2.054 -5.148) 6.314 10.849 ( 3.024 -2.054 5.148) 6.314 11.255 ( 5.800 11.889 -16.068) 20.813 11.255 ( -5.800 11.889 16.068) 20.813 12.374 ( 3.750 -14.177 -2.917) 14.952 12.374 ( -3.750 -14.177 2.917) 14.952 13.182 ( -4.623 -5.020 -13.464) 15.095 13.182 ( 4.623 -5.020 13.464) 15.095 14.003 ( -10.750 -5.839 -6.759) 13.976 14.003 ( 10.750 -5.839 6.759) 13.976 15.118 ( -1.137 4.201 -2.581) 5.060 15.118 ( 1.137 4.201 2.581) 5.060 15.492 ( 1.967 3.343 -12.792) 13.367 15.492 ( -1.967 3.343 12.792) 13.367 17.014 ( 6.180 0.422 -11.288) 12.876 17.014 ( -6.180 0.422 11.288) 12.876 18.043 ( -4.572 -16.085 -6.715) 18.020 18.043 ( 4.572 -16.085 6.715) 18.020 20.430 ( 9.432 -1.614 -28.057) 29.644 20.430 ( -9.432 -1.614 28.057) 29.644 20.686 ( 13.195 7.669 -16.403) 22.405 20.686 ( -13.195 7.669 16.403) 22.405 25.607 ( 4.654 0.111 -4.281) 6.325 25.607 ( -4.654 0.111 4.281) 6.325 27.487 ( -8.824 -3.320 -20.305) 22.387 27.487 ( 8.824 -3.320 20.305) 22.387 30.053 ( -9.710 -3.568 -7.455) 12.751 30.053 ( 9.710 -3.568 7.455) 12.751 30.438 ( 1.340 8.470 -4.345) 9.614 30.438 ( -1.340 8.470 4.345) 9.614 31.437 ( -5.556 3.683 -6.016) 8.979 31.437 ( 5.556 3.683 6.016) 8.979 32.401 ( -4.420 -3.833 -15.531) 16.596 32.401 ( 4.420 -3.833 15.531) 16.596 ======================= Grid point 344 (178/186) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 15.783 0.000 -10.401) 18.901 4.039 ( 20.553 0.000 -3.739) 20.890 4.480 ( 1.357 0.000 14.214) 14.278 4.620 ( 2.445 0.000 -17.328) 17.500 4.873 ( 9.955 0.000 -21.488) 23.682 5.342 ( 2.621 0.000 -12.513) 12.784 5.681 ( -2.201 -0.000 1.744) 2.808 6.356 ( 2.742 0.000 -5.499) 6.145 6.401 ( 2.953 0.000 3.483) 4.566 6.481 ( -1.435 -0.000 1.343) 1.965 6.731 ( 6.714 0.000 2.173) 7.057 6.945 ( 11.297 0.000 6.239) 12.905 7.377 ( -4.044 -0.000 -0.172) 4.048 7.709 ( -5.779 -0.000 12.373) 13.656 7.864 ( -7.583 -0.000 -2.283) 7.920 8.217 ( 0.631 0.000 -1.144) 1.307 8.518 ( -16.495 -0.000 28.916) 33.290 8.897 ( 19.313 0.000 -11.996) 22.735 8.935 ( 12.307 0.000 11.969) 17.167 9.130 ( -11.001 -0.000 20.825) 23.552 9.180 ( 3.535 0.000 3.513) 4.983 9.430 ( 1.969 0.000 -15.180) 15.307 9.588 ( -17.830 -0.000 15.229) 23.448 9.825 ( 5.819 0.000 -28.331) 28.922 10.038 ( 1.326 0.000 -0.039) 1.326 10.458 ( 7.173 0.000 -22.402) 23.523 11.054 ( -7.590 -0.000 25.179) 26.298 11.115 ( 7.309 0.000 -10.728) 12.981 11.587 ( 5.428 0.000 -1.808) 5.721 11.607 ( 1.943 0.000 -1.439) 2.418 12.235 ( 1.507 0.000 -0.905) 1.758 12.457 ( 8.074 0.000 7.242) 10.846 12.898 ( 3.394 0.000 -22.686) 22.939 13.619 ( -4.260 -0.000 4.122) 5.928 13.833 ( -4.899 -0.000 9.068) 10.306 14.521 ( -8.846 -0.000 5.683) 10.514 14.716 ( 10.171 0.000 17.275) 20.047 15.025 ( 1.927 0.000 -19.100) 19.197 15.267 ( 5.101 0.000 -5.216) 7.296 15.769 ( 2.148 0.000 5.565) 5.965 16.880 ( -8.085 -0.000 16.926) 18.758 17.137 ( -0.278 -0.000 8.176) 8.181 17.341 ( -21.407 -0.000 -9.286) 23.335 18.283 ( -8.686 -0.000 0.366) 8.693 19.732 ( -14.058 -0.000 18.063) 22.888 20.185 ( -1.613 -0.000 -31.589) 31.630 21.163 ( 6.006 0.000 23.387) 24.146 21.241 ( 11.457 0.000 -20.840) 23.782 25.464 ( -8.206 -0.000 -12.440) 14.903 25.659 ( 10.206 0.000 10.634) 14.739 27.214 ( 10.542 0.000 -15.859) 19.043 27.746 ( -17.397 -0.000 11.452) 20.828 29.558 ( -4.323 -0.000 -1.745) 4.662 29.979 ( -9.789 -0.000 1.024) 9.843 30.639 ( 12.984 0.000 3.505) 13.449 30.923 ( 9.336 0.000 15.211) 17.847 31.288 ( 7.991 0.000 -4.478) 9.160 31.619 ( -7.195 -0.000 3.319) 7.923 32.192 ( 8.798 0.000 -15.623) 17.930 32.477 ( -10.956 -0.000 6.892) 12.943 ======================= Grid point 345 (179/186) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 18.097 16.125 -7.959) 25.512 4.257 ( 7.685 0.006 -1.583) 7.846 4.468 ( -8.741 -9.539 7.961) 15.191 4.789 ( 22.119 3.778 -8.798) 24.103 4.882 ( 7.209 2.111 -18.767) 20.214 5.313 ( 1.746 -0.281 -11.719) 11.852 5.562 ( -6.268 6.678 -1.755) 9.325 6.342 ( 1.537 4.823 -7.119) 8.735 6.428 ( 0.216 -1.181 1.228) 1.717 6.486 ( 0.797 1.776 7.373) 7.625 6.807 ( 7.450 3.475 5.739) 10.025 7.091 ( -5.506 -5.190 -7.074) 10.359 7.399 ( 5.582 -5.637 9.198) 12.147 7.719 ( 4.654 -3.641 7.588) 9.617 7.852 ( -10.057 -9.465 -5.359) 14.814 8.180 ( -1.432 -0.123 -2.121) 2.562 8.306 ( -16.391 6.543 20.244) 26.857 9.000 ( -5.202 8.951 17.552) 20.378 9.078 ( 7.293 2.353 1.409) 7.791 9.259 ( 9.769 -8.069 -10.042) 16.168 9.345 ( 7.794 -7.795 13.966) 17.792 9.470 ( -3.075 -3.810 8.294) 9.631 9.568 ( 4.916 -12.843 10.762) 17.462 9.779 ( 7.115 -0.427 -30.388) 31.213 10.091 ( -0.813 -4.651 -0.369) 4.736 10.483 ( 7.569 -3.324 -21.393) 22.935 11.020 ( -11.215 5.507 -4.521) 13.287 11.055 ( -10.349 -0.595 18.540) 21.242 11.365 ( -1.230 15.117 -2.463) 15.366 11.772 ( 2.858 -6.402 -1.082) 7.094 12.235 ( 10.676 10.943 -4.376) 15.902 12.618 ( 8.979 0.413 4.099) 9.879 12.910 ( 11.269 0.219 -12.246) 16.643 13.578 ( -2.717 1.784 4.590) 5.625 13.778 ( -2.729 4.202 6.466) 8.180 14.323 ( -18.149 3.270 3.551) 18.780 14.909 ( 7.293 2.674 0.878) 7.817 15.003 ( 10.516 -0.256 -0.144) 10.520 15.422 ( 12.500 -5.033 -6.199) 14.833 15.730 ( -5.874 6.514 6.876) 11.146 16.864 ( -5.599 -1.985 12.682) 14.004 17.024 ( -18.424 -3.053 -7.899) 20.278 17.210 ( -0.181 -2.862 6.861) 7.436 18.068 ( -11.268 9.163 -3.818) 15.017 19.715 ( -12.413 -9.950 21.408) 26.672 20.079 ( -2.783 -8.554 -32.954) 34.159 21.251 ( 10.203 6.082 -19.581) 22.902 21.300 ( 3.271 2.741 19.545) 20.005 25.341 ( -3.420 -0.524 -9.026) 9.667 25.816 ( 5.960 0.694 11.728) 13.174 27.309 ( 10.228 -2.678 -15.304) 18.601 27.535 ( -16.325 2.805 9.238) 18.966 29.524 ( -3.290 -2.895 -0.500) 4.411 29.884 ( -10.132 -4.562 -0.268) 11.115 30.788 ( 11.536 3.634 -0.385) 12.100 31.083 ( 7.760 1.993 12.422) 14.781 31.425 ( 9.706 -0.921 4.217) 10.622 31.548 ( -6.279 -1.657 8.010) 10.312 32.156 ( 2.650 8.012 -13.746) 16.130 32.401 ( -6.631 -5.410 -2.371) 8.880 ======================= Grid point 346 (180/186) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 19.269 18.686 -3.372) 27.052 4.214 ( -4.108 5.709 -1.958) 7.301 4.616 ( -2.141 -12.651 7.715) 14.972 4.838 ( 4.192 1.904 -14.670) 15.376 4.854 ( 9.083 13.858 -5.549) 17.474 5.226 ( -11.037 7.570 4.272) 14.049 5.486 ( 8.715 -4.768 -13.357) 16.646 6.255 ( 4.821 6.840 -8.273) 11.767 6.334 ( -12.045 8.641 3.159) 15.156 6.458 ( -3.066 3.382 6.064) 7.591 6.868 ( 7.868 0.898 5.223) 9.486 7.149 ( 2.118 -7.701 -0.225) 7.990 7.566 ( 4.405 -1.285 -0.382) 4.604 7.770 ( 1.141 0.773 -0.136) 1.385 8.005 ( 4.789 -2.051 -0.421) 5.227 8.110 ( -7.504 -10.807 10.397) 16.769 8.269 ( -5.735 -11.863 1.456) 13.257 8.813 ( -8.826 4.368 4.437) 10.801 9.167 ( 5.681 -1.476 6.046) 8.427 9.437 ( -0.163 -13.284 -5.344) 14.319 9.474 ( -4.873 -6.410 16.403) 18.273 9.685 ( 13.673 0.531 -6.771) 15.267 9.827 ( 15.995 -3.633 -14.111) 21.637 9.885 ( 0.449 -9.196 7.627) 11.956 10.115 ( -2.096 -1.360 1.814) 3.088 10.556 ( 2.233 15.276 0.755) 15.457 10.711 ( 3.189 -1.919 -12.150) 12.708 10.907 ( -15.782 5.702 13.627) 21.617 11.273 ( -3.249 -7.098 -4.741) 9.133 11.747 ( -12.289 0.128 -6.562) 13.932 12.191 ( 14.320 15.386 -1.519) 21.073 12.618 ( 3.706 14.301 2.527) 14.988 13.069 ( 17.094 1.811 -5.358) 18.006 13.523 ( -0.463 3.020 3.894) 4.949 13.706 ( -0.940 7.136 3.604) 8.049 14.067 ( -17.865 -1.687 0.481) 17.951 14.913 ( 9.053 4.364 -9.143) 13.587 15.205 ( 12.308 2.561 7.150) 14.463 15.532 ( -13.481 1.964 16.197) 21.164 15.632 ( 10.523 -3.367 -7.776) 13.511 16.856 ( -5.233 -5.730 -7.687) 10.923 16.939 ( -6.804 -7.782 6.980) 12.473 17.278 ( 0.769 -2.513 3.194) 4.137 17.747 ( -11.622 9.035 -5.705) 15.788 19.851 ( -10.979 -15.272 26.719) 32.675 20.084 ( -0.678 -13.664 -32.793) 35.533 21.181 ( 10.812 10.542 -20.046) 25.098 21.324 ( -2.380 6.097 18.804) 19.911 25.325 ( 4.336 -0.690 -5.391) 6.953 25.869 ( -3.765 0.715 9.892) 10.608 27.355 ( -8.952 3.378 10.287) 14.049 27.414 ( 6.751 -4.247 -15.141) 17.113 29.554 ( -1.098 -5.263 0.894) 5.450 29.838 ( -9.441 -7.388 -1.760) 12.116 30.839 ( 8.686 6.594 -1.377) 10.992 31.141 ( 2.124 5.249 3.425) 6.618 31.454 ( 0.408 3.008 8.189) 8.733 31.721 ( 9.385 -5.300 17.114) 20.226 31.972 ( -4.002 7.167 -9.962) 12.909 32.390 ( -3.218 -4.613 -11.999) 13.252 ======================= Grid point 347 (181/186) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 19.870 14.152 1.946) 24.472 3.995 ( -11.903 8.283 -2.190) 14.666 4.683 ( 7.338 14.232 -10.768) 19.296 4.773 ( 0.729 2.392 5.933) 6.438 4.799 ( -4.699 -0.221 8.196) 9.450 4.984 ( -10.042 0.217 -5.815) 11.606 5.667 ( 11.724 -5.100 -10.472) 16.527 5.997 ( -14.950 8.627 3.526) 17.617 6.218 ( 4.781 3.643 -5.748) 8.316 6.357 ( -6.492 4.769 4.158) 9.065 7.006 ( 8.584 1.397 5.721) 10.410 7.207 ( -3.498 1.028 -1.715) 4.029 7.582 ( 9.382 2.278 -8.428) 12.816 7.830 ( -10.655 0.780 10.755) 15.159 7.977 ( 12.051 -0.134 3.260) 12.485 8.254 ( -4.433 -8.702 -8.738) 13.105 8.497 ( 0.624 -16.730 14.970) 22.459 8.776 ( -4.332 -11.301 -7.095) 14.029 9.341 ( 9.413 -4.858 6.691) 12.529 9.569 ( -2.371 -8.302 -1.034) 8.695 9.592 ( -0.697 -5.353 4.857) 7.261 9.744 ( 0.440 -1.110 -15.720) 15.765 9.821 ( 3.633 15.516 4.945) 16.685 10.001 ( -4.146 12.547 -3.005) 13.551 10.047 ( 1.321 0.130 13.824) 13.887 10.269 ( 3.636 9.623 -8.067) 13.073 10.738 ( -2.394 0.950 11.213) 11.505 11.042 ( 12.271 -10.936 -4.547) 17.054 11.297 ( -14.649 -11.525 -6.566) 19.762 11.513 ( -13.029 -5.806 -5.452) 15.270 12.130 ( 12.272 18.264 3.268) 22.245 12.346 ( -1.687 22.720 1.610) 22.839 13.195 ( 14.337 6.086 -7.558) 17.312 13.503 ( -9.764 12.863 5.983) 17.222 13.594 ( 7.955 -3.172 3.282) 9.172 13.911 ( -13.998 -5.532 -2.378) 15.238 14.988 ( 11.161 -0.121 -4.306) 11.963 15.200 ( -2.648 4.052 1.052) 4.954 15.571 ( 0.719 -3.045 20.218) 20.458 15.723 ( 4.430 0.122 -11.541) 12.363 16.894 ( 3.134 -6.211 -10.973) 12.993 17.007 ( -8.270 -8.385 7.905) 14.184 17.349 ( 3.579 -4.267 -0.682) 5.611 17.522 ( -8.796 -1.093 -1.641) 9.014 20.065 ( -8.498 -14.881 28.622) 33.360 20.166 ( 2.691 -13.468 -30.697) 33.629 21.078 ( 11.907 12.481 -19.271) 25.864 21.213 ( -8.743 9.583 18.297) 22.429 25.427 ( 11.870 -0.709 -3.179) 12.309 25.781 ( -12.842 0.356 6.398) 14.352 27.307 ( -0.244 1.591 13.550) 13.645 27.460 ( 0.741 -3.629 -15.773) 16.202 29.661 ( 2.618 -7.262 2.511) 8.118 29.833 ( -7.958 -8.926 -3.123) 12.360 30.829 ( 6.793 8.920 2.149) 11.416 31.009 ( -3.537 9.818 -4.225) 11.259 31.491 ( 6.546 4.136 8.847) 11.757 31.760 ( -7.630 5.114 -4.526) 10.240 32.013 ( 8.832 -5.574 16.835) 19.811 32.341 ( -4.376 -4.121 -16.892) 17.930 ======================= Grid point 348 (182/186) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -17.213 7.926 -5.862) 19.836 3.658 ( 17.213 7.926 5.862) 19.836 4.565 ( 11.346 11.027 -12.082) 19.908 4.565 ( -11.346 11.027 12.082) 19.908 4.894 ( -0.802 -2.316 -17.716) 17.885 4.894 ( 0.802 -2.316 17.716) 17.885 5.805 ( 0.694 0.945 -7.150) 7.245 5.805 ( -0.694 0.945 7.150) 7.245 6.230 ( 3.030 0.813 -3.956) 5.049 6.230 ( -3.030 0.813 3.956) 5.049 7.070 ( -5.767 5.025 -3.052) 8.235 7.070 ( 5.767 5.025 3.052) 8.235 7.670 ( 3.144 2.427 -9.601) 10.390 7.670 ( -3.144 2.427 9.601) 10.390 8.224 ( -11.380 -6.610 -5.893) 14.420 8.224 ( 11.380 -6.610 5.893) 14.420 8.846 ( -7.412 -12.455 -16.494) 21.957 8.846 ( 7.412 -12.455 16.494) 21.957 9.374 ( 0.255 30.847 -15.575) 34.557 9.374 ( -0.255 30.847 15.575) 34.557 9.605 ( -3.992 -4.442 -15.529) 16.638 9.605 ( 3.992 -4.442 15.529) 16.638 9.865 ( 5.882 -5.783 -16.227) 18.203 9.865 ( -5.882 -5.783 16.227) 18.203 10.151 ( -3.150 -0.248 -18.124) 18.397 10.151 ( 3.150 -0.248 18.124) 18.397 10.894 ( -10.358 1.837 -12.939) 16.676 10.894 ( 10.358 1.837 12.939) 16.676 11.513 ( -5.609 -7.003 -5.645) 10.600 11.513 ( 5.609 -7.003 5.645) 10.600 12.041 ( -2.705 8.018 -5.753) 10.233 12.041 ( 2.705 8.018 5.753) 10.233 13.219 ( 8.387 7.571 -10.746) 15.593 13.219 ( -8.387 7.571 10.746) 15.593 13.817 ( -10.615 -6.248 -5.359) 13.432 13.817 ( 10.615 -6.248 5.359) 13.432 15.126 ( -0.435 -1.591 -6.749) 6.947 15.126 ( 0.435 -1.591 6.749) 6.947 15.651 ( -0.625 4.457 -15.335) 15.982 15.651 ( 0.625 4.457 15.335) 15.982 17.001 ( 7.158 -2.756 -13.367) 15.412 17.001 ( -7.158 -2.756 13.367) 15.412 17.543 ( -2.379 -13.733 -2.225) 14.115 17.543 ( 2.379 -13.733 2.225) 14.115 20.275 ( 8.134 -10.119 -33.142) 35.594 20.275 ( -8.134 -10.119 33.142) 35.594 20.983 ( 12.978 11.915 -19.681) 26.414 20.983 ( -12.978 11.915 19.681) 26.414 25.607 ( -5.863 -0.186 -0.870) 5.930 25.607 ( 5.863 -0.186 0.870) 5.930 27.405 ( -4.395 -1.912 -16.594) 17.272 27.405 ( 4.395 -1.912 16.594) 17.272 29.853 ( -6.477 -8.620 -4.145) 11.552 29.853 ( 6.477 -8.620 4.145) 11.552 30.770 ( -3.457 11.879 -6.906) 14.169 30.770 ( 3.457 11.879 6.906) 14.169 31.560 ( -7.048 4.476 -6.439) 10.544 31.560 ( 7.048 4.476 6.439) 10.544 32.264 ( -5.804 -5.051 -18.082) 19.651 32.264 ( 5.804 -5.051 18.082) 19.651 ======================= Grid point 354 (183/186) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 16.135 0.000 -7.217) 17.676 4.298 ( -5.420 -0.000 2.952) 6.172 4.347 ( 1.734 0.000 7.801) 7.991 4.805 ( -2.576 -0.000 -21.498) 21.652 5.181 ( 22.974 0.000 3.471) 23.235 5.323 ( 10.544 0.000 -17.867) 20.746 5.519 ( -6.829 -0.000 -4.058) 7.944 6.359 ( -4.442 -0.000 -2.961) 5.338 6.450 ( 8.549 0.000 -8.020) 11.721 6.545 ( 0.004 0.000 9.243) 9.243 6.944 ( 5.686 0.000 3.175) 6.513 6.974 ( -5.744 -0.000 0.968) 5.825 7.411 ( -0.880 -0.000 11.671) 11.704 7.595 ( -7.531 -0.000 -9.055) 11.778 7.817 ( 8.380 0.000 9.488) 12.659 8.118 ( -2.950 -0.000 -3.212) 4.361 8.248 ( -14.253 -0.000 20.405) 24.890 8.943 ( -16.626 -0.000 -4.022) 17.106 9.135 ( -3.673 -0.000 18.301) 18.666 9.283 ( 9.153 0.000 -16.513) 18.880 9.326 ( -8.695 -0.000 18.146) 20.122 9.573 ( 4.258 0.000 -0.421) 4.278 9.746 ( 28.597 0.000 19.527) 34.628 9.767 ( 13.300 0.000 -33.866) 36.384 10.048 ( -0.012 -0.000 5.540) 5.540 10.472 ( 10.939 0.000 -23.096) 25.556 10.962 ( -3.221 -0.000 -1.163) 3.424 10.976 ( -13.859 -0.000 22.790) 26.673 11.511 ( -7.998 -0.000 -4.681) 9.267 11.542 ( -10.996 -0.000 -9.193) 14.332 12.464 ( 15.367 0.000 -5.467) 16.311 12.762 ( 8.845 0.000 3.425) 9.485 13.125 ( 21.230 0.000 -0.357) 21.233 13.578 ( -2.201 -0.000 5.846) 6.247 13.790 ( -2.142 -0.000 2.873) 3.584 14.111 ( -22.067 -0.000 6.844) 23.104 15.004 ( 11.960 0.000 -25.041) 27.750 15.108 ( 7.624 0.000 13.648) 15.633 15.561 ( 7.498 0.000 4.998) 9.011 15.723 ( -8.319 -0.000 2.297) 8.631 16.727 ( -11.889 -0.000 -9.122) 14.986 16.837 ( -3.679 -0.000 9.195) 9.904 17.238 ( 1.593 0.000 10.196) 10.319 17.944 ( -15.393 -0.000 -4.423) 16.016 19.574 ( -10.066 -0.000 20.973) 23.263 19.831 ( -2.710 -0.000 -32.533) 32.646 21.349 ( 10.495 0.000 -20.706) 23.213 21.417 ( -1.250 -0.000 19.494) 19.534 25.315 ( 4.874 0.000 -5.935) 7.680 25.879 ( -4.665 -0.000 9.880) 10.926 27.347 ( 8.233 0.000 -15.334) 17.404 27.411 ( -10.513 -0.000 9.998) 14.508 29.471 ( -1.351 -0.000 0.590) 1.474 29.721 ( -9.060 -0.000 -1.014) 9.117 30.945 ( 10.199 0.000 -7.479) 12.647 31.196 ( -0.931 -0.000 10.855) 10.895 31.519 ( 0.366 0.000 11.351) 11.357 31.624 ( 12.758 0.000 14.398) 19.237 32.171 ( -12.850 -0.000 -1.990) 13.003 32.243 ( 4.673 0.000 -20.725) 21.245 ======================= Grid point 355 (184/186) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( 13.285 11.760 -2.636) 17.938 4.221 ( -6.623 5.486 0.023) 8.600 4.478 ( 2.362 -10.231 10.229) 14.659 4.710 ( -5.013 -6.585 -16.739) 18.673 5.182 ( 5.488 14.905 -4.988) 16.648 5.300 ( -5.254 13.002 1.928) 14.156 5.610 ( 22.586 -0.540 -6.075) 23.395 6.187 ( -17.537 3.014 -1.612) 17.867 6.455 ( 7.665 9.071 -9.181) 15.011 6.542 ( -2.921 6.761 10.943) 13.191 6.955 ( 5.746 -3.061 0.455) 6.526 7.079 ( 0.832 -7.731 3.023) 8.342 7.484 ( -0.095 -7.546 -2.635) 7.993 7.603 ( -7.243 -14.056 0.493) 15.820 8.025 ( 11.641 -4.054 4.398) 13.088 8.101 ( -0.869 -2.805 -3.123) 4.287 8.150 ( -2.418 4.712 18.280) 19.032 8.658 ( -17.903 1.579 -8.433) 19.853 9.179 ( -2.831 -3.965 14.165) 14.980 9.286 ( 1.401 -4.628 -15.546) 16.281 9.399 ( -2.020 -5.242 20.974) 21.713 9.610 ( -1.636 -6.169 -15.557) 16.816 9.860 ( 12.407 -2.829 -17.809) 21.888 9.987 ( -3.796 -2.775 9.130) 10.269 10.249 ( 24.426 6.105 12.544) 28.129 10.651 ( 16.195 -9.661 -11.584) 22.132 10.832 ( -15.013 4.606 12.868) 20.303 10.925 ( 7.560 10.723 5.288) 14.145 11.163 ( -12.189 5.902 -5.700) 14.693 11.424 ( -20.541 -3.916 -11.171) 23.708 12.585 ( 15.706 10.502 -0.686) 18.906 12.812 ( 0.569 6.667 1.209) 6.800 13.387 ( 20.452 3.955 1.058) 20.858 13.576 ( 1.545 1.422 4.706) 5.154 13.749 ( -3.535 1.944 -2.612) 4.806 13.837 ( -18.695 1.448 5.658) 19.586 15.065 ( 15.444 4.011 -18.130) 24.152 15.339 ( 11.043 -8.169 6.764) 15.312 15.441 ( -18.504 9.195 10.018) 22.963 15.650 ( -4.735 -4.115 0.631) 6.305 16.698 ( 5.062 -4.717 -8.940) 11.305 16.835 ( -5.086 -2.447 7.148) 9.107 17.320 ( 4.843 0.442 7.938) 9.309 17.660 ( -14.813 5.850 -6.457) 17.186 19.636 ( -8.090 -10.872 26.468) 29.735 19.760 ( 0.924 -10.419 -31.875) 33.547 21.358 ( 9.988 5.550 -19.095) 22.253 21.423 ( -5.616 3.968 18.005) 19.273 25.414 ( 12.492 -0.209 -3.832) 13.068 25.783 ( -13.951 -0.037 6.364) 15.334 27.353 ( -3.597 1.148 11.465) 12.071 27.386 ( 4.472 -1.400 -14.055) 14.816 29.499 ( 1.549 -3.178 1.541) 3.857 29.636 ( -7.362 -3.846 -1.811) 8.501 31.010 ( 8.820 3.212 -7.553) 12.048 31.163 ( -6.897 1.649 6.974) 9.947 31.607 ( 7.550 3.120 12.175) 14.661 31.877 ( 10.279 -3.112 19.024) 21.846 31.940 ( -9.612 5.742 -8.073) 13.803 32.219 ( -2.680 -3.959 -19.285) 19.869 ======================= Grid point 356 (185/186) ======================= q-point: (-0.38 -0.62 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( -8.820 11.113 -3.799) 14.688 3.963 ( 8.820 11.113 3.799) 14.688 4.721 ( -2.627 -9.281 -11.428) 14.954 4.721 ( 2.627 -9.281 11.428) 14.954 4.996 ( 7.818 17.047 -9.949) 21.230 4.996 ( -7.818 17.047 9.949) 21.230 5.852 ( -20.161 4.115 4.566) 21.077 5.852 ( 20.161 4.115 -4.566) 21.077 6.386 ( 7.454 8.344 -8.824) 14.250 6.386 ( -7.454 8.344 8.824) 14.250 7.122 ( -6.493 -3.030 -2.642) 7.637 7.122 ( 6.493 -3.030 2.642) 7.637 7.658 ( 12.563 -6.935 -13.055) 19.400 7.658 ( -12.563 -6.935 13.055) 19.400 8.106 ( 2.946 -1.372 -15.082) 15.428 8.106 ( -2.946 -1.372 15.082) 15.428 8.428 ( -10.088 -9.975 -15.556) 21.054 8.428 ( 10.088 -9.975 15.556) 21.054 9.331 ( -0.151 -9.743 -14.043) 17.093 9.331 ( 0.151 -9.743 14.043) 17.093 9.584 ( 0.479 -5.821 -26.338) 26.978 9.584 ( -0.479 -5.821 26.338) 26.978 9.972 ( 7.363 -1.039 -8.951) 11.637 9.972 ( -7.363 -1.039 8.951) 11.637 10.413 ( -15.260 15.013 -5.106) 22.007 10.413 ( 15.260 15.013 5.106) 22.007 10.952 ( -12.739 5.460 -12.298) 18.530 10.952 ( 12.739 5.460 12.298) 18.530 11.131 ( -19.689 -10.583 -5.914) 23.122 11.131 ( 19.689 -10.583 5.914) 23.122 12.558 ( -6.741 17.008 -3.094) 18.555 12.558 ( 6.741 17.008 3.094) 18.555 13.525 ( -8.929 9.496 -1.204) 13.090 13.525 ( 8.929 9.496 1.204) 13.090 13.678 ( -9.894 -2.370 -1.204) 10.245 13.678 ( 9.894 -2.370 1.204) 10.245 15.148 ( 10.208 4.237 -14.526) 18.253 15.148 ( -10.208 4.237 14.526) 18.253 15.626 ( -3.322 -6.153 -13.738) 15.416 15.626 ( 3.322 -6.153 13.738) 15.416 16.832 ( 7.904 -5.683 -8.251) 12.762 16.832 ( -7.904 -5.683 8.251) 12.762 17.411 ( -2.660 2.267 -10.194) 10.776 17.411 ( 2.660 2.267 10.194) 10.776 19.869 ( 6.095 -15.615 -32.445) 36.519 19.869 ( -6.095 -15.615 32.445) 36.519 21.303 ( 9.730 8.794 -19.307) 23.340 21.303 ( -9.730 8.794 19.307) 23.340 25.599 ( -12.619 -0.279 2.174) 12.807 25.599 ( 12.619 -0.279 -2.174) 12.807 27.375 ( 0.839 -0.381 -14.559) 14.588 27.375 ( -0.839 -0.381 14.559) 14.588 29.621 ( -4.954 -6.416 -2.476) 8.476 29.621 ( 4.954 -6.416 2.476) 8.476 31.034 ( 1.781 5.572 -7.659) 9.638 31.034 ( -1.781 5.572 7.659) 9.638 31.702 ( -8.370 5.174 -9.803) 13.890 31.702 ( 8.370 5.174 9.803) 13.890 32.127 ( -7.019 -4.158 -19.419) 21.063 32.127 ( 7.019 -4.158 19.419) 21.063 ======================= Grid point 365 (186/186) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.190 ( 8.665 0.000 -5.334) 10.175 4.190 ( -8.665 -0.000 5.334) 10.175 4.494 ( -5.545 -0.000 -14.484) 15.510 4.494 ( 5.545 0.000 14.484) 15.510 5.346 ( 5.210 0.000 -1.819) 5.518 5.346 ( -5.210 -0.000 1.819) 5.518 5.932 ( -23.466 -0.000 -0.854) 23.482 5.932 ( 23.466 0.000 0.854) 23.482 6.603 ( 5.652 0.000 -9.075) 10.691 6.603 ( -5.652 -0.000 9.075) 10.691 6.974 ( -3.492 -0.000 -1.071) 3.653 6.974 ( 3.492 0.000 1.071) 3.653 7.424 ( 2.450 0.000 -12.082) 12.328 7.424 ( -2.450 -0.000 12.082) 12.328 8.068 ( 0.617 0.000 -2.613) 2.684 8.068 ( -0.617 -0.000 2.613) 2.684 8.377 ( -17.083 -0.000 -15.154) 22.836 8.377 ( 17.083 0.000 15.154) 22.836 9.182 ( 1.190 0.000 -17.818) 17.857 9.182 ( -1.190 -0.000 17.818) 17.857 9.460 ( -2.393 -0.000 -19.424) 19.571 9.460 ( 2.393 0.000 19.424) 19.571 9.920 ( 9.441 0.000 -13.866) 16.775 9.920 ( -9.441 -0.000 13.866) 16.775 10.674 ( 6.746 0.000 -22.014) 23.024 10.674 ( -6.746 -0.000 22.014) 23.024 10.826 ( -16.484 -0.000 -13.988) 21.619 10.826 ( 16.484 0.000 13.988) 21.619 11.188 ( -9.919 -0.000 -3.598) 10.551 11.188 ( 9.919 0.000 3.598) 10.551 12.829 ( -7.570 -0.000 -0.005) 7.570 12.829 ( 7.570 0.000 0.005) 7.570 13.642 ( 15.821 0.000 -6.367) 17.055 13.642 ( -15.821 -0.000 6.367) 17.055 13.669 ( -6.097 -0.000 -9.484) 11.275 13.669 ( 6.097 0.000 9.484) 11.275 15.300 ( 23.194 0.000 -23.967) 33.352 15.300 ( -23.194 -0.000 23.967) 33.352 15.443 ( -9.788 -0.000 -0.131) 9.789 15.443 ( 9.788 0.000 0.131) 9.789 16.756 ( 9.173 0.000 -6.615) 11.309 16.756 ( -9.173 -0.000 6.615) 11.309 17.481 ( -12.343 -0.000 -8.634) 15.063 17.481 ( 12.343 0.000 8.634) 15.063 19.585 ( 3.907 0.000 -27.579) 27.854 19.585 ( -3.907 -0.000 27.579) 27.854 21.439 ( 8.211 0.000 -18.833) 20.545 21.439 ( -8.211 -0.000 18.833) 20.545 25.594 ( -16.514 -0.000 4.070) 17.008 25.594 ( 16.514 0.000 -4.070) 17.008 27.371 ( 3.426 0.000 -14.013) 14.426 27.371 ( -3.426 -0.000 14.013) 14.426 29.521 ( -4.514 -0.000 -1.823) 4.869 29.521 ( 4.514 0.000 1.823) 4.869 31.107 ( 8.805 0.000 -10.665) 13.830 31.107 ( -8.805 -0.000 10.665) 13.830 31.802 ( -10.348 -0.000 -10.089) 14.452 31.802 ( 10.348 0.000 10.089) 14.452 32.051 ( -5.485 -0.000 -22.198) 22.866 32.051 ( 5.485 0.000 22.198) 22.866 =================== 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 3/38400 10.0 4079.754 5423.773 6698.145 0.000 3018.949 0.000 3/38400 20.0 1654.984 1968.536 2096.599 0.000 553.497 0.000 3/38400 30.0 523.050 592.673 656.474 0.000 99.470 0.000 3/38400 40.0 228.818 255.529 290.088 0.000 30.694 0.000 3/38400 50.0 124.788 138.560 161.368 0.000 12.265 0.000 3/38400 60.0 78.922 87.196 104.433 0.000 5.680 0.000 3/38400 70.0 55.193 60.667 74.646 0.000 2.879 0.000 3/38400 80.0 41.417 45.297 57.090 0.000 1.533 0.000 3/38400 90.0 32.713 35.609 45.814 0.000 0.824 0.000 3/38400 100.0 26.848 29.097 38.092 0.000 0.422 0.000 3/38400 110.0 22.693 24.493 32.536 0.000 0.182 0.000 3/38400 120.0 19.626 21.104 28.379 0.000 0.032 0.000 3/38400 130.0 17.287 18.524 25.169 0.000 -0.065 0.000 3/38400 140.0 15.453 16.504 22.625 0.000 -0.129 0.000 3/38400 150.0 13.980 14.885 20.565 0.000 -0.172 0.000 3/38400 160.0 12.774 13.562 18.865 0.000 -0.202 0.000 3/38400 170.0 11.770 12.460 17.440 0.000 -0.222 0.000 3/38400 180.0 10.921 11.531 16.229 0.000 -0.236 0.000 3/38400 190.0 10.194 10.735 15.188 0.000 -0.245 0.000 3/38400 200.0 9.564 10.047 14.283 0.000 -0.251 0.000 3/38400 210.0 9.014 9.446 13.490 0.000 -0.255 0.000 3/38400 220.0 8.529 8.917 12.788 0.000 -0.257 0.000 3/38400 230.0 8.097 8.447 12.163 0.000 -0.257 0.000 3/38400 240.0 7.711 8.026 11.602 0.000 -0.257 0.000 3/38400 250.0 7.364 7.648 11.096 0.000 -0.256 0.000 3/38400 260.0 7.049 7.305 10.638 0.000 -0.254 0.000 3/38400 270.0 6.762 6.994 10.219 0.000 -0.252 0.000 3/38400 280.0 6.500 6.710 9.836 0.000 -0.250 0.000 3/38400 290.0 6.260 6.449 9.484 0.000 -0.247 0.000 3/38400 300.0 6.038 6.209 9.159 0.000 -0.245 0.000 3/38400 310.0 5.833 5.987 8.857 0.000 -0.242 0.000 3/38400 320.0 5.642 5.781 8.577 0.000 -0.239 0.000 3/38400 330.0 5.465 5.590 8.316 0.000 -0.235 0.000 3/38400 340.0 5.299 5.411 8.072 0.000 -0.232 0.000 3/38400 350.0 5.144 5.245 7.843 0.000 -0.229 0.000 3/38400 360.0 4.999 5.088 7.628 0.000 -0.226 0.000 3/38400 370.0 4.862 4.942 7.425 0.000 -0.223 0.000 3/38400 380.0 4.733 4.804 7.234 0.000 -0.219 0.000 3/38400 390.0 4.611 4.673 7.053 0.000 -0.216 0.000 3/38400 400.0 4.496 4.551 6.881 0.000 -0.213 0.000 3/38400 410.0 4.387 4.434 6.719 0.000 -0.210 0.000 3/38400 420.0 4.283 4.324 6.564 0.000 -0.207 0.000 3/38400 430.0 4.184 4.219 6.417 0.000 -0.204 0.000 3/38400 440.0 4.090 4.120 6.276 0.000 -0.201 0.000 3/38400 450.0 4.001 4.025 6.142 0.000 -0.198 0.000 3/38400 460.0 3.915 3.934 6.014 0.000 -0.195 0.000 3/38400 470.0 3.833 3.848 5.892 0.000 -0.193 0.000 3/38400 480.0 3.755 3.766 5.774 0.000 -0.190 0.000 3/38400 490.0 3.680 3.687 5.661 0.000 -0.187 0.000 3/38400 500.0 3.608 3.612 5.553 0.000 -0.185 0.000 3/38400 510.0 3.539 3.539 5.449 0.000 -0.182 0.000 3/38400 520.0 3.472 3.470 5.349 0.000 -0.179 0.000 3/38400 530.0 3.409 3.403 5.253 0.000 -0.177 0.000 3/38400 540.0 3.347 3.339 5.160 0.000 -0.175 0.000 3/38400 550.0 3.288 3.277 5.071 0.000 -0.172 0.000 3/38400 560.0 3.231 3.218 4.984 0.000 -0.170 0.000 3/38400 570.0 3.175 3.161 4.901 0.000 -0.168 0.000 3/38400 580.0 3.122 3.106 4.820 0.000 -0.165 0.000 3/38400 590.0 3.071 3.052 4.742 0.000 -0.163 0.000 3/38400 600.0 3.021 3.001 4.667 0.000 -0.161 0.000 3/38400 610.0 2.973 2.951 4.594 0.000 -0.159 0.000 3/38400 620.0 2.926 2.903 4.523 0.000 -0.157 0.000 3/38400 630.0 2.881 2.857 4.454 0.000 -0.155 0.000 3/38400 640.0 2.837 2.812 4.388 0.000 -0.153 0.000 3/38400 650.0 2.795 2.769 4.323 0.000 -0.151 0.000 3/38400 660.0 2.754 2.726 4.261 0.000 -0.149 0.000 3/38400 670.0 2.714 2.685 4.200 0.000 -0.148 0.000 3/38400 680.0 2.675 2.646 4.141 0.000 -0.146 0.000 3/38400 690.0 2.637 2.607 4.083 0.000 -0.144 0.000 3/38400 700.0 2.601 2.570 4.027 0.000 -0.142 0.000 3/38400 710.0 2.565 2.534 3.973 0.000 -0.141 0.000 3/38400 720.0 2.530 2.498 3.920 0.000 -0.139 0.000 3/38400 730.0 2.497 2.464 3.868 0.000 -0.137 0.000 3/38400 740.0 2.464 2.431 3.818 0.000 -0.136 0.000 3/38400 750.0 2.432 2.398 3.769 0.000 -0.134 0.000 3/38400 760.0 2.401 2.367 3.722 0.000 -0.133 0.000 3/38400 770.0 2.370 2.336 3.675 0.000 -0.131 0.000 3/38400 780.0 2.341 2.306 3.630 0.000 -0.130 0.000 3/38400 790.0 2.312 2.277 3.586 0.000 -0.128 0.000 3/38400 800.0 2.284 2.248 3.542 0.000 -0.127 0.000 3/38400 810.0 2.256 2.220 3.500 0.000 -0.126 0.000 3/38400 820.0 2.229 2.193 3.459 0.000 -0.124 0.000 3/38400 830.0 2.203 2.167 3.419 0.000 -0.123 0.000 3/38400 840.0 2.178 2.141 3.380 0.000 -0.122 0.000 3/38400 850.0 2.153 2.116 3.341 0.000 -0.121 0.000 3/38400 860.0 2.128 2.091 3.304 0.000 -0.119 0.000 3/38400 870.0 2.104 2.067 3.267 0.000 -0.118 0.000 3/38400 880.0 2.081 2.044 3.231 0.000 -0.117 0.000 3/38400 890.0 2.058 2.021 3.196 0.000 -0.116 0.000 3/38400 900.0 2.036 1.999 3.162 0.000 -0.115 0.000 3/38400 910.0 2.014 1.977 3.128 0.000 -0.113 0.000 3/38400 920.0 1.992 1.955 3.095 0.000 -0.112 0.000 3/38400 930.0 1.971 1.934 3.063 0.000 -0.111 0.000 3/38400 940.0 1.951 1.914 3.031 0.000 -0.110 0.000 3/38400 950.0 1.931 1.894 3.000 0.000 -0.109 0.000 3/38400 960.0 1.911 1.874 2.970 0.000 -0.108 0.000 3/38400 970.0 1.892 1.855 2.940 0.000 -0.107 0.000 3/38400 980.0 1.873 1.836 2.911 0.000 -0.106 0.000 3/38400 990.0 1.854 1.817 2.883 0.000 -0.105 0.000 3/38400 1000.0 1.836 1.799 2.855 0.000 -0.104 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:22:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|