----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:22:04]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313209475063795 1.912882382309697 6.021853979999993 b -3.313209475063787 1.912882382309697 6.021853979999993 c 0.000000000000003 -3.825764764619399 6.021853979999993 Atomic positions (fractional): *1 Li 0.89354658011043 0.51910203439021 0.22817446561112 6.941 2 Li 0.48089796560979 0.77182553438888 0.10645341988957 6.941 3 Li 0.77182553438888 0.10645341988957 0.48089796560979 6.941 *4 Li 0.66309525021305 0.66309525021305 0.66309525021305 6.941 5 Li 0.33690474978695 0.33690474978695 0.33690474978695 6.941 6 Li 0.22817446561112 0.89354658011043 0.51910203439021 6.941 7 Li 0.51910203439021 0.22817446561112 0.89354658011043 6.941 8 Li 0.10645341988957 0.48089796560979 0.77182553438888 6.941 *9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 *10 S 0.76361385319786 0.38017695423786 0.08568364520456 32.065 11 S 0.61982304576214 0.91431635479544 0.23638614680214 32.065 12 S 0.91431635479544 0.23638614680214 0.61982304576214 32.065 13 S 0.08568364520456 0.76361385319786 0.38017695423786 32.065 14 S 0.38017695423786 0.08568364520456 0.76361385319786 32.065 15 S 0.23638614680214 0.61982304576214 0.91431635479544 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.626418950127583 0.000000000000000 0.000000000000000 b -3.313209475063791 5.738647146929096 0.000000000000000 c 0.000000000000000 0.000000000000000 18.065561939999998 Atomic positions (fractional): *1 Li 0.67993888673984 0.98543322775947 0.21360769337058 6.941 > 1 2 Li 0.36117232564704 0.01327222007318 0.11972563996275 6.941 > 2 3 Li 0.65209989442613 0.63882767435296 0.11972563996275 6.941 > 3 *4 Li 0.33333333333333 0.66666666666667 0.32976191687972 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.00357141645361 6.941 > 5 6 Li 0.01456677224053 0.69450565898038 0.21360769337058 6.941 > 6 7 Li 0.30549434101962 0.32006111326016 0.21360769337058 6.941 > 7 8 Li 0.98672777992682 0.34790010557387 0.11972563996275 6.941 > 8 9 Li 0.34660555340651 0.31876656109280 0.54694102670392 6.941 > 1 10 Li 0.02783899231371 0.34660555340651 0.45305897329608 6.941 > 2 11 Li 0.31876656109280 0.97216100768629 0.45305897329608 6.941 > 3 12 Li 0.00000000000000 0.00000000000000 0.66309525021305 6.941 > 4 13 Li 0.00000000000000 0.00000000000000 0.33690474978695 6.941 > 5 14 Li 0.68123343890720 0.02783899231371 0.54694102670392 6.941 > 6 15 Li 0.97216100768629 0.65339444659349 0.54694102670392 6.941 > 7 16 Li 0.65339444659349 0.68123343890720 0.45305897329608 6.941 > 8 17 Li 0.01327222007318 0.65209989442613 0.88027436003725 6.941 > 1 18 Li 0.69450565898038 0.67993888673984 0.78639230662941 6.941 > 2 19 Li 0.98543322775947 0.30549434101962 0.78639230662941 6.941 > 3 20 Li 0.66666666666667 0.33333333333333 0.99642858354638 6.941 > 4 21 Li 0.66666666666667 0.33333333333333 0.67023808312028 6.941 > 5 22 Li 0.34790010557387 0.36117232564704 0.88027436003725 6.941 > 6 23 Li 0.63882767435296 0.98672777992682 0.88027436003725 6.941 > 7 24 Li 0.32006111326016 0.01456677224053 0.78639230662941 6.941 > 8 *25 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 9 26 Ti 0.66666666666667 0.33333333333333 0.33333333333333 47.867 > 9 27 Ti 0.33333333333333 0.66666666666667 0.66666666666667 47.867 > 9 *28 S 0.68712236898444 0.99080783900887 0.07649148421343 32.065 > 10 29 S 0.36298119664223 0.02045570231777 0.25684184911991 32.065 > 11 30 S 0.65747450567554 0.63701880335776 0.25684184911991 32.065 > 12 31 S 0.00919216099113 0.69631452997557 0.07649148421343 32.065 > 13 32 S 0.30368547002443 0.31287763101556 0.07649148421343 32.065 > 14 33 S 0.97954429768223 0.34252549432446 0.25684184911991 32.065 > 15 34 S 0.35378903565110 0.32414117234220 0.40982481754676 32.065 > 10 35 S 0.02964786330890 0.35378903565110 0.59017518245324 32.065 > 11 36 S 0.32414117234220 0.97035213669110 0.59017518245324 32.065 > 12 37 S 0.67585882765780 0.02964786330890 0.40982481754676 32.065 > 13 38 S 0.97035213669110 0.64621096434890 0.40982481754676 32.065 > 14 39 S 0.64621096434890 0.67585882765780 0.59017518245324 32.065 > 15 40 S 0.02045570231777 0.65747450567554 0.74315815088009 32.065 > 10 41 S 0.69631452997557 0.68712236898444 0.92350851578657 32.065 > 11 42 S 0.99080783900887 0.30368547002443 0.92350851578657 32.065 > 12 43 S 0.34252549432446 0.36298119664223 0.74315815088009 32.065 > 13 44 S 0.63701880335776 0.97954429768223 0.74315815088009 32.065 > 14 45 S 0.31287763101556 0.00919216099113 0.92350851578657 32.065 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.626418950127583 0.000000000000000 0.000000000000000 b -3.313209475063791 5.738647146929096 0.000000000000000 c 0.000000000000000 0.000000000000000 18.065561939999998 Atomic positions (fractional): *1 Li 0.67993888673984 0.98543322775947 0.21360769337058 6.941 > 1 2 Li 0.36117232564704 0.01327222007318 0.11972563996275 6.941 > 2 3 Li 0.65209989442613 0.63882767435296 0.11972563996275 6.941 > 3 *4 Li 0.33333333333333 0.66666666666667 0.32976191687972 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.00357141645361 6.941 > 5 6 Li 0.01456677224053 0.69450565898038 0.21360769337058 6.941 > 6 7 Li 0.30549434101962 0.32006111326016 0.21360769337058 6.941 > 7 8 Li 0.98672777992682 0.34790010557387 0.11972563996275 6.941 > 8 9 Li 0.34660555340651 0.31876656109280 0.54694102670392 6.941 > 1 10 Li 0.02783899231371 0.34660555340651 0.45305897329608 6.941 > 2 11 Li 0.31876656109280 0.97216100768629 0.45305897329608 6.941 > 3 12 Li 0.00000000000000 0.00000000000000 0.66309525021305 6.941 > 4 13 Li 0.00000000000000 0.00000000000000 0.33690474978695 6.941 > 5 14 Li 0.68123343890720 0.02783899231371 0.54694102670392 6.941 > 6 15 Li 0.97216100768629 0.65339444659349 0.54694102670392 6.941 > 7 16 Li 0.65339444659349 0.68123343890720 0.45305897329608 6.941 > 8 17 Li 0.01327222007318 0.65209989442613 0.88027436003725 6.941 > 1 18 Li 0.69450565898038 0.67993888673984 0.78639230662941 6.941 > 2 19 Li 0.98543322775947 0.30549434101962 0.78639230662941 6.941 > 3 20 Li 0.66666666666667 0.33333333333333 0.99642858354638 6.941 > 4 21 Li 0.66666666666667 0.33333333333333 0.67023808312028 6.941 > 5 22 Li 0.34790010557387 0.36117232564704 0.88027436003725 6.941 > 6 23 Li 0.63882767435296 0.98672777992682 0.88027436003725 6.941 > 7 24 Li 0.32006111326016 0.01456677224053 0.78639230662941 6.941 > 8 *25 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 9 26 Ti 0.66666666666667 0.33333333333333 0.33333333333333 47.867 > 9 27 Ti 0.33333333333333 0.66666666666667 0.66666666666667 47.867 > 9 *28 S 0.68712236898444 0.99080783900887 0.07649148421343 32.065 > 10 29 S 0.36298119664223 0.02045570231777 0.25684184911991 32.065 > 11 30 S 0.65747450567554 0.63701880335776 0.25684184911991 32.065 > 12 31 S 0.00919216099113 0.69631452997557 0.07649148421343 32.065 > 13 32 S 0.30368547002443 0.31287763101556 0.07649148421343 32.065 > 14 33 S 0.97954429768223 0.34252549432446 0.25684184911991 32.065 > 15 34 S 0.35378903565110 0.32414117234220 0.40982481754676 32.065 > 10 35 S 0.02964786330890 0.35378903565110 0.59017518245324 32.065 > 11 36 S 0.32414117234220 0.97035213669110 0.59017518245324 32.065 > 12 37 S 0.67585882765780 0.02964786330890 0.40982481754676 32.065 > 13 38 S 0.97035213669110 0.64621096434890 0.40982481754676 32.065 > 14 39 S 0.64621096434890 0.67585882765780 0.59017518245324 32.065 > 15 40 S 0.02045570231777 0.65747450567554 0.74315815088009 32.065 > 10 41 S 0.69631452997557 0.68712236898444 0.92350851578657 32.065 > 11 42 S 0.99080783900887 0.30368547002443 0.92350851578657 32.065 > 12 43 S 0.34252549432446 0.36298119664223 0.74315815088009 32.065 > 13 44 S 0.63701880335776 0.97954429768223 0.74315815088009 32.065 > 14 45 S 0.31287763101556 0.00919216099113 0.92350851578657 32.065 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9039384 0.0000037 0.0000000 -0.0000037 6.9039384 0.0000000 0.0000000 0.0000000 7.3083370 -------------------------- Born effective charges -------------------------- 1 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 2 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 3 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 4 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 5 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 6 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 7 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 8 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 9 Ti 5.9806239 0.0276926 -0.0000000 -0.0276926 5.9806239 0.0000000 0.0000000 0.0000000 5.8478368 10 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 11 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 12 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 13 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 14 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 15 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 ---------------------------------------------------------------------------- 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: 135/135 Permutation basis: 3924/3924 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 522 Number of blocks in projector: 245 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (522, 499), data: False |-- (68, 64), data: True |-- (216, 208), data: True |-- (238, 227), data: True ----- Solver_atoms: 1 -- 45 / 45 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.169 Solver_block: 200 / 320 - Time: 0.186 Solver_block: 300 / 320 - Time: 0.186 Solver_block: 320 / 320 - Time: 0.049 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.607 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 135/135 Permutation basis: 3924/3924 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 522 Number of blocks in projector: 245 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (522, 499), data: False |-- (68, 64), data: True |-- (216, 208), data: True |-- (238, 227), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:22:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:11]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313209475063795 1.912882382309697 6.021853979999993 b -3.313209475063787 1.912882382309697 6.021853979999993 c 0.000000000000003 -3.825764764619399 6.021853979999993 Atomic positions (fractional): 1 Li 0.89354658011043 0.51910203439021 0.22817446561112 6.941 2 Li 0.48089796560979 0.77182553438888 0.10645341988957 6.941 3 Li 0.77182553438888 0.10645341988957 0.48089796560979 6.941 4 Li 0.66309525021305 0.66309525021305 0.66309525021305 6.941 5 Li 0.33690474978695 0.33690474978695 0.33690474978695 6.941 6 Li 0.22817446561112 0.89354658011043 0.51910203439021 6.941 7 Li 0.51910203439021 0.22817446561112 0.89354658011043 6.941 8 Li 0.10645341988957 0.48089796560979 0.77182553438888 6.941 9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 10 S 0.76361385319786 0.38017695423786 0.08568364520456 32.065 11 S 0.61982304576214 0.91431635479544 0.23638614680214 32.065 12 S 0.91431635479544 0.23638614680214 0.61982304576214 32.065 13 S 0.08568364520456 0.76361385319786 0.38017695423786 32.065 14 S 0.38017695423786 0.08568364520456 0.76361385319786 32.065 15 S 0.23638614680214 0.61982304576214 0.91431635479544 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.626418950127583 0.000000000000000 0.000000000000000 b -3.313209475063791 5.738647146929096 0.000000000000000 c 0.000000000000000 0.000000000000000 18.065561939999998 Atomic positions (fractional): 1 Li 0.67993888673984 0.98543322775947 0.21360769337058 6.941 > 1 2 Li 0.36117232564704 0.01327222007318 0.11972563996275 6.941 > 2 3 Li 0.65209989442613 0.63882767435296 0.11972563996275 6.941 > 3 4 Li 0.33333333333333 0.66666666666667 0.32976191687972 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.00357141645361 6.941 > 5 6 Li 0.01456677224053 0.69450565898038 0.21360769337058 6.941 > 6 7 Li 0.30549434101962 0.32006111326016 0.21360769337058 6.941 > 7 8 Li 0.98672777992682 0.34790010557387 0.11972563996275 6.941 > 8 9 Li 0.34660555340651 0.31876656109280 0.54694102670392 6.941 > 1 10 Li 0.02783899231371 0.34660555340651 0.45305897329608 6.941 > 2 11 Li 0.31876656109280 0.97216100768629 0.45305897329608 6.941 > 3 12 Li 0.00000000000000 0.00000000000000 0.66309525021305 6.941 > 4 13 Li 0.00000000000000 0.00000000000000 0.33690474978695 6.941 > 5 14 Li 0.68123343890720 0.02783899231371 0.54694102670392 6.941 > 6 15 Li 0.97216100768629 0.65339444659349 0.54694102670392 6.941 > 7 16 Li 0.65339444659349 0.68123343890720 0.45305897329608 6.941 > 8 17 Li 0.01327222007318 0.65209989442613 0.88027436003725 6.941 > 1 18 Li 0.69450565898038 0.67993888673984 0.78639230662941 6.941 > 2 19 Li 0.98543322775947 0.30549434101962 0.78639230662941 6.941 > 3 20 Li 0.66666666666667 0.33333333333333 0.99642858354638 6.941 > 4 21 Li 0.66666666666667 0.33333333333333 0.67023808312028 6.941 > 5 22 Li 0.34790010557387 0.36117232564704 0.88027436003725 6.941 > 6 23 Li 0.63882767435296 0.98672777992682 0.88027436003725 6.941 > 7 24 Li 0.32006111326016 0.01456677224053 0.78639230662941 6.941 > 8 25 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 25 26 Ti 0.66666666666667 0.33333333333333 0.33333333333333 47.867 > 25 27 Ti 0.33333333333333 0.66666666666667 0.66666666666667 47.867 > 25 28 S 0.68712236898444 0.99080783900887 0.07649148421343 32.065 > 28 29 S 0.36298119664223 0.02045570231777 0.25684184911991 32.065 > 29 30 S 0.65747450567554 0.63701880335776 0.25684184911991 32.065 > 30 31 S 0.00919216099113 0.69631452997557 0.07649148421343 32.065 > 31 32 S 0.30368547002443 0.31287763101556 0.07649148421343 32.065 > 32 33 S 0.97954429768223 0.34252549432446 0.25684184911991 32.065 > 33 34 S 0.35378903565110 0.32414117234220 0.40982481754676 32.065 > 28 35 S 0.02964786330890 0.35378903565110 0.59017518245324 32.065 > 29 36 S 0.32414117234220 0.97035213669110 0.59017518245324 32.065 > 30 37 S 0.67585882765780 0.02964786330890 0.40982481754676 32.065 > 31 38 S 0.97035213669110 0.64621096434890 0.40982481754676 32.065 > 32 39 S 0.64621096434890 0.67585882765780 0.59017518245324 32.065 > 33 40 S 0.02045570231777 0.65747450567554 0.74315815088009 32.065 > 28 41 S 0.69631452997557 0.68712236898444 0.92350851578657 32.065 > 29 42 S 0.99080783900887 0.30368547002443 0.92350851578657 32.065 > 30 43 S 0.34252549432446 0.36298119664223 0.74315815088009 32.065 > 31 44 S 0.63701880335776 0.97954429768223 0.74315815088009 32.065 > 32 45 S 0.31287763101556 0.00919216099113 0.92350851578657 32.065 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9039384 0.0000037 0.0000000 -0.0000037 6.9039384 0.0000000 0.0000000 0.0000000 7.3083370 -------------------------- Born effective charges -------------------------- 1 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 2 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 3 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 4 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 5 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 6 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 7 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 8 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 9 Ti 5.9806239 0.0276926 -0.0000000 -0.0276926 5.9806239 0.0000000 0.0000000 0.0000000 5.8478368 10 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 11 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 12 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 13 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 14 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 15 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:22:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:15]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.313209475063795 1.912882382309697 6.021853979999993 b -3.313209475063787 1.912882382309697 6.021853979999993 c 0.000000000000003 -3.825764764619399 6.021853979999993 Atomic positions (fractional): 1 Li 0.89354658011043 0.51910203439021 0.22817446561112 6.941 2 Li 0.48089796560979 0.77182553438888 0.10645341988957 6.941 3 Li 0.77182553438888 0.10645341988957 0.48089796560979 6.941 4 Li 0.66309525021305 0.66309525021305 0.66309525021305 6.941 5 Li 0.33690474978695 0.33690474978695 0.33690474978695 6.941 6 Li 0.22817446561112 0.89354658011043 0.51910203439021 6.941 7 Li 0.51910203439021 0.22817446561112 0.89354658011043 6.941 8 Li 0.10645341988957 0.48089796560979 0.77182553438888 6.941 9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 10 S 0.76361385319786 0.38017695423786 0.08568364520456 32.065 11 S 0.61982304576214 0.91431635479544 0.23638614680214 32.065 12 S 0.91431635479544 0.23638614680214 0.61982304576214 32.065 13 S 0.08568364520456 0.76361385319786 0.38017695423786 32.065 14 S 0.38017695423786 0.08568364520456 0.76361385319786 32.065 15 S 0.23638614680214 0.61982304576214 0.91431635479544 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.626418950127583 0.000000000000000 0.000000000000000 b -3.313209475063791 5.738647146929096 0.000000000000000 c 0.000000000000000 0.000000000000000 18.065561939999998 Atomic positions (fractional): 1 Li 0.67993888673984 0.98543322775947 0.21360769337058 6.941 > 1 2 Li 0.36117232564704 0.01327222007318 0.11972563996275 6.941 > 2 3 Li 0.65209989442613 0.63882767435296 0.11972563996275 6.941 > 3 4 Li 0.33333333333333 0.66666666666667 0.32976191687972 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.00357141645361 6.941 > 5 6 Li 0.01456677224053 0.69450565898038 0.21360769337058 6.941 > 6 7 Li 0.30549434101962 0.32006111326016 0.21360769337058 6.941 > 7 8 Li 0.98672777992682 0.34790010557387 0.11972563996275 6.941 > 8 9 Li 0.34660555340651 0.31876656109280 0.54694102670392 6.941 > 1 10 Li 0.02783899231371 0.34660555340651 0.45305897329608 6.941 > 2 11 Li 0.31876656109280 0.97216100768629 0.45305897329608 6.941 > 3 12 Li 0.00000000000000 0.00000000000000 0.66309525021305 6.941 > 4 13 Li 0.00000000000000 0.00000000000000 0.33690474978695 6.941 > 5 14 Li 0.68123343890720 0.02783899231371 0.54694102670392 6.941 > 6 15 Li 0.97216100768629 0.65339444659349 0.54694102670392 6.941 > 7 16 Li 0.65339444659349 0.68123343890720 0.45305897329608 6.941 > 8 17 Li 0.01327222007318 0.65209989442613 0.88027436003725 6.941 > 1 18 Li 0.69450565898038 0.67993888673984 0.78639230662941 6.941 > 2 19 Li 0.98543322775947 0.30549434101962 0.78639230662941 6.941 > 3 20 Li 0.66666666666667 0.33333333333333 0.99642858354638 6.941 > 4 21 Li 0.66666666666667 0.33333333333333 0.67023808312028 6.941 > 5 22 Li 0.34790010557387 0.36117232564704 0.88027436003725 6.941 > 6 23 Li 0.63882767435296 0.98672777992682 0.88027436003725 6.941 > 7 24 Li 0.32006111326016 0.01456677224053 0.78639230662941 6.941 > 8 25 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 25 26 Ti 0.66666666666667 0.33333333333333 0.33333333333333 47.867 > 25 27 Ti 0.33333333333333 0.66666666666667 0.66666666666667 47.867 > 25 28 S 0.68712236898444 0.99080783900887 0.07649148421343 32.065 > 28 29 S 0.36298119664223 0.02045570231777 0.25684184911991 32.065 > 29 30 S 0.65747450567554 0.63701880335776 0.25684184911991 32.065 > 30 31 S 0.00919216099113 0.69631452997557 0.07649148421343 32.065 > 31 32 S 0.30368547002443 0.31287763101556 0.07649148421343 32.065 > 32 33 S 0.97954429768223 0.34252549432446 0.25684184911991 32.065 > 33 34 S 0.35378903565110 0.32414117234220 0.40982481754676 32.065 > 28 35 S 0.02964786330890 0.35378903565110 0.59017518245324 32.065 > 29 36 S 0.32414117234220 0.97035213669110 0.59017518245324 32.065 > 30 37 S 0.67585882765780 0.02964786330890 0.40982481754676 32.065 > 31 38 S 0.97035213669110 0.64621096434890 0.40982481754676 32.065 > 32 39 S 0.64621096434890 0.67585882765780 0.59017518245324 32.065 > 33 40 S 0.02045570231777 0.65747450567554 0.74315815088009 32.065 > 28 41 S 0.69631452997557 0.68712236898444 0.92350851578657 32.065 > 29 42 S 0.99080783900887 0.30368547002443 0.92350851578657 32.065 > 30 43 S 0.34252549432446 0.36298119664223 0.74315815088009 32.065 > 31 44 S 0.63701880335776 0.97954429768223 0.74315815088009 32.065 > 32 45 S 0.31287763101556 0.00919216099113 0.92350851578657 32.065 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9039384 0.0000037 0.0000000 -0.0000037 6.9039384 0.0000000 0.0000000 0.0000000 7.3083370 -------------------------- Born effective charges -------------------------- 1 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 2 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 3 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 4 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 5 Li 1.4668318 -0.0004868 -0.0000000 0.0004868 1.4668318 0.0000000 0.0000000 0.0000000 0.4712432 6 Li 0.7067116 0.3411953 0.1378175 0.3564756 1.0908665 -0.2191112 0.0510407 0.0183255 1.2846047 7 Li 1.2969281 -0.0157139 0.1208471 -0.0004336 0.5006500 0.2289091 -0.0413907 0.0350398 1.2846047 8 Li 0.6927275 -0.3484018 -0.2586646 -0.3331215 1.1048507 -0.0097978 -0.0096500 -0.0533654 1.2846047 9 Ti 5.9806239 0.0276926 -0.0000000 -0.0276926 5.9806239 0.0000000 0.0000000 0.0000000 5.8478368 10 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 11 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 12 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 13 S -1.9886415 0.5272254 -0.5209876 0.5208515 -2.7803658 0.8251627 -0.5129313 0.8643162 -2.4163252 14 S -2.1286041 -0.6016589 -0.4541181 -0.6080329 -2.6404032 -0.8637699 -0.4920542 -0.8763696 -2.4163252 15 S -3.0362653 0.0839944 0.9751057 0.0776204 -1.7327420 0.0386071 1.0049854 0.0120534 -2.4163252 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 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 3.371 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 9.003 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 10.834 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.560 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 19.693 24.462 4.693) 31.753 0.656 ( 27.423 11.712 10.997) 31.782 1.194 ( 45.575 22.025 30.872) 59.290 3.438 ( -1.598 -2.319 11.640) 11.976 3.668 ( -0.367 -3.986 -3.597) 5.382 3.799 ( -5.551 8.341 0.610) 10.038 3.867 ( 7.943 7.999 -1.867) 11.426 4.063 ( 6.479 -5.899 17.066) 19.184 4.387 ( -0.298 -0.512 -5.930) 5.960 5.017 ( -7.638 -4.125 1.627) 8.832 5.119 ( -0.521 -4.342 3.889) 5.852 5.337 ( -6.510 4.153 -1.600) 7.886 5.455 ( 5.286 4.400 -2.385) 7.280 5.988 ( 3.452 -2.748 0.968) 4.518 6.298 ( -5.459 -2.801 0.258) 6.141 6.524 ( -8.636 -3.886 -5.136) 10.773 6.698 ( 0.491 -6.662 -7.430) 9.991 6.749 ( -1.142 5.467 -4.490) 7.166 6.821 ( 3.647 0.649 -0.900) 3.812 7.109 ( 4.368 3.502 -25.984) 26.580 7.251 ( -9.939 -7.499 -7.500) 14.535 7.642 ( -4.702 2.814 -0.710) 5.526 7.758 ( 3.802 4.780 0.621) 6.139 7.924 ( 12.058 6.751 -2.698) 14.080 8.029 ( 15.092 4.626 -21.899) 26.995 8.867 ( -25.573 -11.575 78.482) 83.351 8.989 ( -0.776 -0.399 -1.050) 1.366 9.523 ( 0.828 -1.670 1.407) 2.335 9.599 ( -2.625 0.122 2.881) 3.900 9.926 ( 3.234 1.141 0.204) 3.436 9.939 ( 3.878 2.935 -0.445) 4.884 10.814 ( -2.980 -1.761 4.179) 5.426 11.197 ( -7.803 -5.157 2.838) 9.774 11.748 ( -1.200 -0.946 -0.509) 1.611 11.808 ( 1.362 0.666 0.110) 1.520 12.007 ( -1.894 -1.296 0.046) 2.296 12.212 ( -0.559 0.424 -0.381) 0.798 12.274 ( 4.168 2.561 0.321) 4.903 13.011 ( -0.125 -0.217 0.238) 0.345 13.138 ( -1.172 -0.613 -3.851) 4.072 13.298 ( 1.438 0.297 -0.745) 1.647 13.309 ( 1.837 2.520 -1.641) 3.524 13.520 ( -2.336 -1.808 -0.487) 2.994 13.651 ( 3.242 0.723 0.014) 3.322 14.385 ( 5.006 1.116 -23.705) 24.253 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 19.964 22.715 2.424) 30.338 1.269 ( 23.947 11.241 12.002) 29.049 2.299 ( 39.735 18.429 27.710) 51.830 3.434 ( -2.209 -4.514 6.114) 7.915 3.639 ( 1.025 -1.713 1.189) 2.324 3.768 ( -1.575 4.409 -7.126) 8.526 4.072 ( 4.409 6.353 4.586) 8.990 4.191 ( 0.540 2.757 -7.925) 8.409 4.426 ( 11.148 -0.620 9.460) 14.634 4.851 ( -9.541 -2.231 3.667) 10.462 5.077 ( 0.160 -10.027 2.627) 10.367 5.251 ( -7.817 7.050 1.464) 10.628 5.576 ( 5.626 4.292 -2.580) 7.532 5.978 ( -4.571 -3.913 4.453) 7.486 6.198 ( -4.890 -1.026 5.789) 7.647 6.302 ( -7.766 -6.225 -3.494) 10.549 6.552 ( -2.909 -7.253 -8.755) 11.735 6.748 ( 0.485 3.480 -10.168) 10.758 6.824 ( -2.418 -3.473 -3.713) 5.630 6.963 ( -6.658 -6.393 0.334) 9.236 7.080 ( 0.864 2.917 -15.121) 15.424 7.617 ( -3.631 4.066 2.738) 6.100 7.893 ( 6.477 3.582 -0.236) 7.405 8.127 ( 4.242 6.770 -1.343) 8.101 8.205 ( 12.991 2.265 -7.416) 15.129 8.776 ( -16.126 -4.350 31.198) 35.388 8.965 ( -0.361 -0.045 -2.784) 2.807 9.525 ( 1.340 -3.170 -1.563) 3.780 9.611 ( 2.013 3.999 1.633) 4.766 10.012 ( 4.229 3.024 -0.065) 5.199 10.054 ( 5.712 3.816 -0.505) 6.888 10.746 ( -6.104 -3.618 6.598) 9.689 10.976 ( -12.141 -9.069 3.870) 15.641 11.716 ( -0.685 -0.891 -1.163) 1.618 11.841 ( 1.552 0.945 -0.127) 1.821 11.968 ( -1.293 -1.004 -0.095) 1.640 12.197 ( -1.197 0.238 -0.794) 1.456 12.383 ( 4.854 2.919 1.100) 5.770 13.017 ( 0.323 0.382 1.351) 1.440 13.074 ( -2.618 -1.524 -2.627) 4.009 13.320 ( 1.423 -0.127 -1.419) 2.014 13.370 ( 2.610 4.072 -1.772) 5.151 13.452 ( -2.402 -2.318 -1.466) 3.646 13.717 ( 3.604 0.616 0.002) 3.656 14.314 ( 0.385 -2.879 -10.523) 10.917 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 18.050 13.740 -1.627) 22.743 1.834 ( 18.598 15.786 14.343) 28.298 3.056 ( 12.663 -0.669 5.742) 13.920 3.424 ( 4.719 2.042 19.107) 19.787 3.670 ( 3.185 -3.291 3.804) 5.954 3.792 ( 5.318 5.306 -5.962) 9.590 4.066 ( -5.951 4.103 -11.775) 13.817 4.216 ( 2.222 2.877 3.273) 4.892 4.697 ( 3.808 -0.707 -2.019) 4.368 4.731 ( -1.331 2.062 4.011) 4.702 4.967 ( -0.819 -6.049 2.939) 6.775 5.305 ( 2.736 4.892 12.838) 14.008 5.684 ( 5.294 2.059 -3.238) 6.538 5.851 ( -9.257 0.902 4.731) 10.435 6.089 ( -6.326 -5.003 -4.932) 9.454 6.175 ( -3.211 -2.404 3.817) 5.537 6.385 ( -4.888 -5.450 -2.902) 7.875 6.581 ( -10.549 -6.050 -9.571) 15.475 6.727 ( 4.171 -4.206 -9.008) 10.781 6.926 ( 1.683 1.460 -1.755) 2.836 7.050 ( -1.881 2.767 -2.522) 4.189 7.613 ( -2.369 2.694 1.275) 3.807 8.021 ( 6.004 1.058 -0.697) 6.136 8.187 ( -2.454 3.489 0.493) 4.294 8.377 ( 8.287 1.736 -3.715) 9.246 8.657 ( -10.014 -0.550 12.766) 16.234 8.946 ( 0.432 0.101 -2.876) 2.910 9.498 ( 0.165 -1.516 -2.594) 3.009 9.766 ( 8.705 5.559 1.949) 10.511 10.118 ( 4.004 5.364 -1.489) 6.857 10.178 ( 4.846 2.984 -0.148) 5.693 10.609 ( -10.815 -4.912 4.848) 12.830 10.700 ( -10.315 -11.361 5.946) 16.457 11.699 ( 0.240 -0.436 -1.045) 1.157 11.868 ( 1.000 0.552 -1.349) 1.768 11.947 ( -0.578 -0.136 0.614) 0.854 12.170 ( -1.328 -0.209 -0.689) 1.511 12.498 ( 4.434 2.434 1.586) 5.301 12.991 ( -3.330 -1.193 -0.758) 3.617 13.055 ( 1.832 0.953 0.763) 2.202 13.296 ( -2.137 -2.385 -2.307) 3.947 13.402 ( -0.093 -0.048 -1.356) 1.360 13.446 ( 2.483 3.344 -1.072) 4.301 13.779 ( 2.975 0.680 -0.211) 3.059 14.223 ( -1.133 -3.999 -5.161) 6.627 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 7.470 4.220 -1.003) 8.638 2.361 ( 14.337 16.466 11.653) 24.748 2.873 ( -9.874 -13.785 -8.219) 18.843 3.682 ( 1.632 0.427 14.283) 14.383 3.706 ( 4.889 -3.882 -1.313) 6.379 3.915 ( -5.691 7.640 -7.768) 12.292 4.028 ( 8.175 2.146 1.817) 8.645 4.283 ( 0.728 1.447 2.798) 3.233 4.644 ( -5.144 3.003 4.671) 7.570 4.685 ( 1.914 -5.816 -9.317) 11.149 5.034 ( 2.444 1.553 1.914) 3.471 5.578 ( 9.571 4.496 18.259) 21.100 5.738 ( 4.176 -1.534 -6.537) 7.907 5.804 ( -3.665 4.744 5.987) 8.472 5.916 ( -3.464 -3.054 -8.780) 9.921 6.083 ( -7.609 -3.861 1.111) 8.604 6.221 ( -5.397 -3.847 -4.811) 8.190 6.338 ( -3.502 -2.278 -4.273) 5.976 6.741 ( 3.426 -1.044 -2.061) 4.133 6.963 ( 1.417 1.312 -1.258) 2.305 7.026 ( -1.990 0.334 0.613) 2.109 7.606 ( -0.873 0.896 -0.006) 1.251 8.097 ( 3.607 -1.962 0.059) 4.107 8.149 ( -3.885 2.398 0.032) 4.566 8.459 ( 2.120 0.489 -1.148) 2.460 8.607 ( -2.451 0.874 3.302) 4.204 8.946 ( 0.600 0.129 -1.283) 1.422 9.478 ( 0.015 -0.392 -1.042) 1.113 10.005 ( 10.913 6.114 0.694) 12.528 10.219 ( 2.069 5.327 -2.118) 6.095 10.248 ( -0.197 -0.332 0.224) 0.447 10.358 ( -9.649 -6.032 0.753) 11.404 10.531 ( -4.508 -6.174 4.945) 9.105 11.699 ( 0.363 -0.079 -0.379) 0.531 11.868 ( -0.012 -0.027 -0.976) 0.976 11.952 ( 0.130 0.300 0.495) 0.593 12.148 ( -0.596 -0.198 -0.199) 0.658 12.582 ( 2.095 1.029 0.872) 2.491 12.934 ( -1.499 -0.620 -0.407) 1.672 13.112 ( 2.252 1.989 1.540) 3.376 13.205 ( -3.044 -2.764 -2.253) 4.689 13.404 ( 0.458 0.126 -0.575) 0.746 13.497 ( 0.906 1.550 -0.238) 1.812 13.821 ( 1.284 0.485 -0.182) 1.385 14.152 ( -0.778 -2.069 -1.566) 2.708 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 2.269 26.917 12.434) 29.737 0.885 ( 8.143 25.864 29.749) 40.252 1.339 ( -6.540 39.701 42.512) 58.534 3.544 ( -5.239 -8.626 6.972) 12.267 3.725 ( -0.702 7.580 1.806) 7.824 3.792 ( 2.276 1.934 3.009) 4.240 3.833 ( 14.546 -1.998 6.030) 15.873 4.114 ( -10.282 -1.729 12.694) 16.427 4.351 ( -1.228 2.034 -7.181) 7.563 5.057 ( -2.592 -6.235 4.884) 8.334 5.160 ( -1.703 -3.412 8.316) 9.149 5.360 ( 5.959 -3.268 1.624) 6.988 5.469 ( 11.607 8.494 -3.660) 14.841 5.840 ( -12.686 3.600 -11.917) 17.774 6.286 ( 1.729 -8.425 -0.745) 8.633 6.547 ( -1.429 -9.299 -2.228) 9.668 6.617 ( -2.623 3.213 -12.090) 12.782 6.696 ( 2.960 1.821 -12.680) 13.148 6.825 ( -1.011 7.945 -6.562) 10.353 6.947 ( 2.340 10.344 -12.245) 16.199 7.269 ( -1.191 -12.453 -0.401) 12.516 7.691 ( 6.286 3.630 -4.982) 8.804 7.701 ( 2.064 -0.770 0.381) 2.236 7.869 ( -3.939 12.380 -8.426) 15.484 7.986 ( -1.400 14.971 1.659) 15.127 8.954 ( 0.349 -1.112 -5.696) 5.814 9.291 ( 4.253 -39.364 54.549) 67.403 9.513 ( -2.453 -0.423 0.884) 2.642 9.661 ( 1.449 -12.029 13.422) 18.082 9.919 ( 0.365 2.820 -0.375) 2.868 9.960 ( -0.155 3.661 2.665) 4.530 10.852 ( 0.035 -4.167 8.476) 9.445 11.224 ( -1.043 -10.420 5.593) 11.872 11.756 ( -0.470 -0.891 0.337) 1.062 11.798 ( -0.408 0.308 -0.851) 0.993 12.013 ( 0.196 -2.033 0.601) 2.129 12.230 ( 1.273 0.929 1.131) 1.940 12.252 ( -0.017 3.987 -1.612) 4.300 13.001 ( -0.609 -0.064 -1.657) 1.767 13.102 ( 0.319 1.300 -5.814) 5.966 13.299 ( 1.489 1.946 -1.223) 2.739 13.312 ( 0.057 3.365 -1.275) 3.599 13.521 ( -0.818 -2.444 -0.404) 2.608 13.640 ( -2.076 2.604 -1.239) 3.554 14.202 ( -2.156 16.839 -30.986) 35.332 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 11.710 24.028 8.095) 27.928 1.417 ( 5.047 26.568 27.434) 38.522 2.141 ( 25.094 28.121 35.359) 51.680 3.444 ( -1.363 -5.360 3.105) 6.343 3.698 ( -4.587 0.590 2.841) 5.428 3.824 ( -4.427 3.025 -2.857) 6.076 4.098 ( 2.463 6.519 -0.403) 6.980 4.134 ( 9.453 0.472 6.025) 11.219 4.340 ( 1.850 5.615 1.834) 6.190 4.988 ( -4.274 -3.275 6.021) 8.078 5.085 ( -5.898 -4.973 10.974) 13.414 5.458 ( 4.093 0.103 -0.582) 4.135 5.527 ( -11.221 3.072 2.954) 12.003 5.826 ( 15.502 -3.185 -5.919) 16.897 6.223 ( 0.480 -7.672 0.299) 7.693 6.328 ( -2.878 -11.775 -8.700) 14.921 6.508 ( -10.191 2.673 -1.381) 10.626 6.654 ( 1.751 -2.352 -14.286) 14.584 6.872 ( -0.127 4.916 -2.693) 5.607 6.978 ( -8.550 -3.311 -11.428) 14.651 7.054 ( 0.288 -1.236 0.369) 1.322 7.692 ( -0.358 -0.502 -0.787) 1.000 7.883 ( 4.519 6.627 0.723) 8.054 7.948 ( 10.886 8.016 -10.985) 17.419 8.157 ( 2.939 10.916 1.980) 11.477 8.922 ( 1.404 -0.315 -6.515) 6.672 9.154 ( -12.327 -25.174 36.343) 45.896 9.490 ( -0.944 0.915 -0.554) 1.427 9.642 ( -0.556 0.333 2.944) 3.015 9.986 ( 3.451 4.059 -0.693) 5.373 10.029 ( 2.297 6.145 0.578) 6.586 10.830 ( -3.411 -6.504 10.099) 12.487 11.059 ( -7.797 -13.552 4.973) 16.407 11.723 ( -1.906 -0.519 -0.526) 2.044 11.801 ( 1.981 -0.728 -2.159) 3.019 11.991 ( -1.506 -0.270 0.827) 1.739 12.237 ( -1.952 1.001 1.843) 2.865 12.338 ( 4.808 3.686 -0.586) 6.086 12.990 ( 1.436 -1.157 -1.897) 2.646 13.082 ( -0.947 -0.354 -2.087) 2.319 13.326 ( -0.849 2.939 -0.929) 3.197 13.360 ( 2.156 4.159 -1.160) 4.826 13.455 ( -2.421 -1.957 -2.359) 3.906 13.657 ( 2.851 1.446 -2.388) 3.990 14.174 ( 2.672 2.928 -17.199) 17.650 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 12.731 19.704 4.799) 23.945 1.936 ( 8.463 23.757 24.633) 35.254 2.899 ( 15.482 6.982 16.089) 23.394 3.431 ( 3.804 -3.153 6.898) 8.485 3.682 ( 2.394 1.846 7.829) 8.392 3.770 ( -3.941 2.213 0.723) 4.578 4.110 ( -2.004 5.974 -14.323) 15.648 4.254 ( 1.444 5.887 3.113) 6.814 4.531 ( 6.681 2.960 -1.723) 7.507 4.946 ( -7.248 2.284 11.193) 13.529 5.021 ( -4.360 -1.718 11.568) 12.481 5.390 ( -3.266 0.154 5.362) 6.280 5.552 ( 6.687 -3.754 -0.802) 7.710 5.928 ( -0.241 -4.588 0.596) 4.633 6.125 ( -1.362 -2.961 -7.619) 8.287 6.229 ( 2.854 -7.511 4.084) 9.013 6.347 ( -8.920 -0.613 0.521) 8.956 6.535 ( -1.077 -5.056 -15.476) 16.317 6.662 ( -8.561 -5.603 -7.232) 12.529 6.910 ( 0.758 2.803 -2.434) 3.788 7.090 ( -0.210 3.269 -2.611) 4.189 7.661 ( -1.161 0.654 -4.802) 4.983 7.985 ( 1.477 5.636 0.885) 5.894 8.170 ( 12.176 2.882 -5.936) 13.849 8.279 ( 0.486 5.991 0.888) 6.076 8.895 ( -8.151 -9.048 11.074) 16.460 8.935 ( -3.017 -3.265 2.375) 5.041 9.488 ( -0.943 2.645 -0.764) 2.911 9.705 ( 4.515 3.161 1.931) 5.840 10.092 ( 4.154 4.691 -0.434) 6.281 10.149 ( 4.036 6.377 -0.437) 7.559 10.733 ( -6.940 -8.116 7.815) 13.233 10.783 ( -10.664 -15.839 5.716) 19.932 11.692 ( -0.777 0.189 -1.090) 1.352 11.816 ( 2.765 -1.291 -3.212) 4.430 11.976 ( -1.470 0.850 1.362) 2.177 12.214 ( -2.855 0.356 2.279) 3.670 12.456 ( 4.889 3.461 0.546) 6.014 12.986 ( 0.586 -2.044 -3.390) 4.001 13.057 ( -0.487 0.654 1.465) 1.677 13.305 ( -3.065 -0.297 -2.282) 3.832 13.382 ( 0.551 -0.987 -1.612) 1.969 13.456 ( 1.372 5.520 -0.570) 5.716 13.717 ( 4.304 0.834 -2.291) 4.946 14.129 ( 1.871 -2.198 -9.454) 9.885 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 7.573 14.546 4.197) 16.928 2.440 ( 8.710 18.999 20.564) 29.321 2.868 ( -8.510 -11.774 -3.881) 15.037 3.564 ( 5.877 -5.311 8.421) 11.561 3.731 ( -0.559 -2.021 1.084) 2.360 3.969 ( 9.067 6.922 8.062) 13.968 4.031 ( -4.814 8.876 -13.735) 17.048 4.326 ( -1.119 5.047 3.472) 6.227 4.543 ( 0.676 -1.172 -4.704) 4.895 4.887 ( -8.602 4.742 9.430) 13.616 5.068 ( -1.657 2.068 8.379) 8.788 5.492 ( 9.249 -1.871 2.327) 9.719 5.633 ( 5.059 -1.692 6.604) 8.489 5.812 ( -1.120 -5.315 -6.779) 8.686 6.050 ( -8.752 3.788 1.962) 9.736 6.128 ( -4.125 -8.593 1.682) 9.679 6.261 ( -4.954 -3.798 -2.410) 6.691 6.338 ( -3.286 -2.121 -5.665) 6.884 6.604 ( 7.029 0.426 -5.344) 8.840 6.940 ( 1.485 2.017 -1.946) 3.171 7.065 ( -2.369 -0.377 -2.250) 3.289 7.618 ( -0.887 1.480 -6.247) 6.481 8.052 ( 1.371 1.424 1.510) 2.488 8.246 ( -2.550 2.415 -1.458) 3.803 8.371 ( 6.715 0.769 -0.790) 6.805 8.695 ( -8.298 -7.702 5.780) 12.712 8.959 ( 1.302 3.233 -1.210) 3.689 9.497 ( -1.566 4.183 -0.112) 4.468 9.873 ( 10.032 3.668 0.527) 10.695 10.196 ( 3.276 3.530 -0.733) 4.871 10.259 ( 2.146 5.145 -0.881) 5.644 10.451 ( -11.068 -13.300 0.694) 17.317 10.596 ( -6.815 -8.662 7.938) 13.582 11.689 ( 0.414 1.072 -1.292) 1.729 11.828 ( 2.517 -1.557 -2.427) 3.827 11.971 ( -1.227 1.022 1.171) 1.980 12.184 ( -2.494 -0.454 3.166) 4.056 12.564 ( 3.171 3.129 0.602) 4.496 12.934 ( -1.126 -2.090 -2.458) 3.417 13.100 ( 2.290 1.619 1.635) 3.246 13.211 ( -3.246 -2.980 -2.650) 5.142 13.392 ( 0.922 0.779 -0.738) 1.414 13.515 ( 0.028 3.190 0.586) 3.243 13.781 ( 3.653 0.840 -2.051) 4.273 14.097 ( 2.158 -1.710 -4.557) 5.325 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -5.153 5.887 5.668) 9.661 2.440 ( -15.672 -11.229 -3.738) 19.638 2.924 ( 7.820 13.922 15.011) 21.916 3.568 ( 0.641 -4.281 -9.384) 10.335 3.784 ( 4.640 -6.589 16.190) 18.085 3.889 ( -7.318 4.978 -14.351) 16.861 4.064 ( 2.042 1.056 -13.157) 13.356 4.356 ( -8.343 2.499 11.046) 14.066 4.549 ( 0.738 2.530 -1.337) 2.955 4.901 ( -4.366 7.465 11.698) 14.548 5.067 ( -2.987 -2.240 4.207) 5.625 5.475 ( -0.314 -7.005 -17.600) 18.945 5.705 ( 0.312 -5.245 0.409) 5.271 5.819 ( -0.608 -2.322 -0.774) 2.522 5.949 ( 5.976 -1.174 -5.208) 8.013 6.013 ( -5.210 3.431 8.691) 10.698 6.231 ( 1.869 1.584 8.935) 9.265 6.327 ( 1.971 2.424 1.407) 3.426 6.722 ( 6.416 1.667 -1.944) 6.908 6.966 ( 0.476 0.035 -0.387) 0.614 7.000 ( -0.574 -1.663 -2.973) 3.454 7.588 ( -0.397 1.231 -4.531) 4.712 8.086 ( 1.562 -0.050 1.548) 2.200 8.209 ( -4.279 2.886 0.694) 5.208 8.450 ( 2.725 -1.435 0.951) 3.223 8.549 ( -2.381 -6.461 -1.570) 7.063 8.993 ( -0.728 1.985 1.044) 2.358 9.518 ( -1.719 5.165 1.376) 5.615 10.066 ( 1.881 -2.087 -1.287) 3.090 10.143 ( 0.141 -6.347 -0.168) 6.351 10.273 ( -1.096 0.391 0.975) 1.518 10.308 ( -0.606 -0.208 0.550) 0.845 10.506 ( 0.228 1.197 -1.504) 1.936 11.701 ( 0.395 1.439 -1.479) 2.101 11.844 ( 2.146 -1.638 0.029) 2.700 11.964 ( -1.287 0.600 0.470) 1.496 12.167 ( -1.179 -0.671 3.366) 3.630 12.607 ( -1.275 1.794 -1.043) 2.435 12.904 ( 1.331 -1.229 -1.073) 2.105 13.118 ( -2.182 -2.151 -1.441) 3.386 13.184 ( 3.524 1.833 1.603) 4.283 13.407 ( 0.388 0.048 0.047) 0.393 13.521 ( -1.859 0.335 1.471) 2.394 13.819 ( 1.196 0.415 -1.515) 1.974 14.124 ( 3.775 1.201 -1.858) 4.376 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -20.099 -12.004 0.767) 23.424 2.094 ( -20.980 0.719 4.064) 21.382 3.207 ( 1.025 7.308 8.681) 11.394 3.365 ( -8.996 -5.328 -21.705) 24.092 3.738 ( -2.171 -0.662 -12.190) 12.400 3.880 ( -3.058 -3.942 19.276) 19.911 4.014 ( 1.241 1.821 -9.266) 9.524 4.260 ( -7.164 0.083 8.972) 11.481 4.599 ( 3.145 4.183 -2.024) 5.612 4.921 ( -11.796 -3.450 2.872) 12.621 5.056 ( 1.092 10.061 7.427) 12.553 5.215 ( -4.856 -8.120 -18.146) 20.464 5.637 ( 1.531 -7.409 -1.091) 7.643 5.753 ( 1.556 -0.927 -0.867) 2.008 6.055 ( 2.762 2.684 -4.174) 5.680 6.123 ( 7.245 -0.840 9.801) 12.217 6.321 ( 4.510 3.244 -2.349) 6.031 6.511 ( 8.783 4.129 7.598) 12.326 6.827 ( 2.638 4.127 4.079) 6.374 6.925 ( -0.377 -1.706 -3.466) 3.882 7.026 ( 2.625 0.169 2.991) 3.983 7.567 ( -0.478 0.478 -2.702) 2.785 8.135 ( 2.089 0.954 1.477) 2.731 8.143 ( -6.979 0.173 1.922) 7.240 8.452 ( -1.166 -2.796 2.142) 3.710 8.476 ( 2.744 -4.675 -5.320) 7.595 8.987 ( -1.597 -0.135 1.956) 2.529 9.554 ( -1.702 5.124 2.920) 6.139 9.842 ( -9.199 -7.396 -3.097) 12.203 10.149 ( -3.461 -4.407 3.735) 6.734 10.251 ( -4.881 -0.107 0.883) 4.962 10.409 ( 13.310 1.994 -3.331) 13.865 10.596 ( 7.632 6.354 -6.237) 11.727 11.709 ( 0.063 1.168 -1.045) 1.568 11.860 ( 0.843 -1.617 0.701) 1.953 11.952 ( -0.595 0.262 0.756) 0.997 12.174 ( 0.189 -0.203 2.770) 2.784 12.547 ( -4.721 -0.354 -2.166) 5.206 12.941 ( 3.470 0.422 -0.371) 3.516 13.064 ( -1.285 -1.545 -0.285) 2.029 13.283 ( 4.029 2.548 1.489) 4.994 13.401 ( -0.473 -1.567 0.627) 1.752 13.489 ( -3.032 -0.364 2.456) 3.919 13.809 ( -1.433 0.140 -1.390) 2.001 14.212 ( 5.079 2.373 -0.640) 5.642 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -24.723 -8.856 3.313) 26.469 1.693 ( -29.951 -0.463 5.221) 30.406 2.691 ( -37.642 -8.577 -19.006) 43.032 3.370 ( 4.244 1.261 -2.763) 5.219 3.678 ( 1.373 -0.208 -3.906) 4.145 3.864 ( -8.362 2.390 15.008) 17.346 4.008 ( 2.118 -1.287 -9.994) 10.297 4.264 ( -3.208 -2.134 14.168) 14.683 4.588 ( -16.250 -1.435 -11.049) 19.703 4.727 ( 7.222 5.555 -0.785) 9.145 5.028 ( 1.597 -8.536 -8.624) 12.239 5.251 ( 1.511 12.376 8.393) 15.030 5.568 ( 0.136 -9.236 0.382) 9.245 5.859 ( 7.033 1.435 1.708) 7.378 6.083 ( 4.087 0.075 -5.803) 7.098 6.276 ( 5.739 4.286 1.645) 7.349 6.449 ( 9.458 -2.228 0.623) 9.737 6.725 ( 10.021 2.380 3.147) 10.770 6.854 ( -1.367 -0.992 -0.390) 1.734 6.942 ( 0.134 3.168 -0.310) 3.186 7.137 ( 4.879 1.901 7.751) 9.354 7.557 ( -0.222 1.014 0.798) 1.309 8.004 ( -8.516 -2.763 1.656) 9.105 8.173 ( -1.714 0.549 5.364) 5.658 8.371 ( -5.342 -3.332 1.507) 6.474 8.478 ( 4.575 -0.993 -10.243) 11.262 8.978 ( -0.297 -0.559 1.880) 1.984 9.589 ( -1.581 3.740 2.804) 4.934 9.629 ( -6.314 -4.477 -3.372) 8.443 10.070 ( -4.365 -0.932 1.305) 4.650 10.141 ( -7.141 -1.704 0.974) 7.406 10.608 ( 9.958 1.205 -3.177) 10.522 10.794 ( 13.273 4.310 -4.507) 14.665 11.718 ( 0.479 0.889 -0.500) 1.127 11.846 ( -0.802 -1.096 -0.095) 1.361 11.962 ( 0.712 -0.143 1.041) 1.269 12.197 ( 0.607 0.187 1.886) 1.990 12.441 ( -5.410 -0.949 -1.330) 5.652 12.995 ( 1.645 0.842 -1.369) 2.300 13.053 ( 1.700 -0.681 1.419) 2.317 13.359 ( -0.781 0.847 1.452) 1.853 13.377 ( 0.788 -1.265 0.388) 1.540 13.458 ( -1.539 0.329 2.106) 2.629 13.761 ( -2.962 -0.096 -1.736) 3.435 14.319 ( 5.389 1.485 -0.202) 5.594 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -27.586 0.565 7.791) 28.671 1.176 ( -33.989 -0.416 3.491) 34.171 1.800 ( -49.569 -0.055 -6.494) 49.993 3.404 ( 1.844 0.079 -2.680) 3.254 3.681 ( 1.137 -4.637 -0.089) 4.776 3.877 ( -6.180 10.853 12.499) 17.669 3.927 ( -3.033 -5.136 -1.569) 6.168 4.113 ( -12.811 -1.563 -5.831) 14.162 4.410 ( -1.197 0.250 -2.338) 2.639 4.928 ( 8.760 6.839 0.393) 11.121 4.979 ( 5.794 -8.076 -2.217) 10.183 5.418 ( -0.273 6.484 6.870) 9.450 5.472 ( -2.619 -5.530 1.405) 6.278 5.932 ( 2.625 0.964 -4.886) 5.630 6.188 ( 8.442 -0.819 2.449) 8.828 6.427 ( 8.554 0.313 -1.007) 8.619 6.574 ( 8.597 -0.334 -3.175) 9.171 6.822 ( -1.435 1.017 -2.511) 3.066 6.889 ( -2.850 0.298 3.228) 4.317 6.987 ( 12.636 -1.938 0.121) 12.784 7.246 ( 3.958 0.466 -4.394) 5.932 7.615 ( 1.974 1.903 7.084) 7.596 7.856 ( -7.567 -1.441 3.387) 8.415 8.110 ( -10.182 -0.198 3.082) 10.640 8.260 ( -4.781 0.040 -8.449) 9.708 8.476 ( 1.040 0.070 7.239) 7.313 8.986 ( 0.591 -0.175 0.396) 0.732 9.519 ( -1.397 -0.973 -2.473) 3.002 9.603 ( -1.113 1.229 1.302) 2.108 9.993 ( -5.050 -0.281 0.171) 5.061 10.017 ( -6.379 0.207 0.552) 6.406 10.734 ( 6.035 -0.004 -0.213) 6.039 11.029 ( 13.276 0.046 -1.517) 13.363 11.734 ( 1.064 0.215 -0.646) 1.263 11.823 ( -1.156 0.120 -0.033) 1.162 11.981 ( 1.540 -0.599 0.299) 1.680 12.215 ( 0.290 0.166 0.643) 0.725 12.341 ( -5.310 0.007 0.203) 5.314 13.003 ( 0.216 0.406 -0.419) 0.622 13.108 ( 3.379 -0.267 0.368) 3.410 13.323 ( -1.801 -1.357 0.864) 2.415 13.366 ( -3.430 1.256 0.759) 3.730 13.483 ( 2.689 -0.101 -0.592) 2.755 13.695 ( -3.310 0.095 -1.607) 3.681 14.407 ( 4.851 0.009 -2.922) 5.663 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -7.827 20.882 16.791) 27.915 1.288 ( -7.414 23.745 20.178) 32.031 2.258 ( -25.184 32.274 35.424) 54.136 3.550 ( -0.440 -4.772 5.194) 7.067 3.651 ( 4.240 -4.388 1.408) 6.262 3.754 ( 4.580 10.152 0.492) 11.148 3.983 ( -8.431 6.484 6.208) 12.315 4.136 ( 1.797 -4.405 -7.999) 9.307 4.496 ( -6.461 7.757 9.172) 13.640 4.982 ( 12.892 -3.225 3.977) 13.871 5.116 ( -3.515 -7.908 8.657) 12.241 5.264 ( 6.735 4.004 -5.702) 9.691 5.454 ( -5.703 0.568 0.337) 5.741 6.016 ( -2.263 -5.798 4.797) 7.858 6.146 ( -2.114 -9.078 -1.866) 9.506 6.388 ( 6.076 -9.279 -5.558) 12.406 6.570 ( 0.930 -4.424 -3.569) 5.760 6.637 ( -0.050 9.681 -16.361) 19.011 6.866 ( -0.562 1.509 -1.914) 2.501 6.962 ( 0.356 7.808 -12.150) 14.447 7.060 ( 9.246 -8.538 -2.198) 12.776 7.608 ( 3.001 -0.127 1.079) 3.191 7.785 ( -9.003 2.481 -2.826) 9.757 8.013 ( -5.917 5.964 -4.451) 9.507 8.178 ( -4.422 11.616 -0.712) 12.450 8.892 ( 0.662 -4.280 -4.173) 6.014 9.048 ( 12.620 -24.168 29.788) 40.382 9.559 ( -1.088 -0.363 0.884) 1.448 9.607 ( 1.849 2.753 2.597) 4.212 9.981 ( -3.259 3.244 -0.942) 4.694 10.009 ( -1.585 4.926 -0.358) 5.187 10.828 ( 3.380 -6.460 9.064) 11.632 11.109 ( 6.359 -10.896 6.830) 14.346 11.741 ( 1.610 0.285 -0.145) 1.641 11.809 ( -1.713 -0.754 -1.166) 2.205 11.981 ( 1.214 -1.565 0.319) 2.007 12.205 ( 2.011 0.916 -0.692) 2.316 12.341 ( -4.608 4.052 0.641) 6.170 13.010 ( -1.392 -0.445 -0.686) 1.615 13.066 ( 1.262 -1.304 -2.968) 3.479 13.300 ( -1.074 1.406 -1.581) 2.373 13.339 ( -0.174 4.066 -1.925) 4.502 13.481 ( 2.416 -2.116 -0.735) 3.295 13.707 ( -2.698 2.586 -0.610) 3.787 14.248 ( -4.250 5.693 -16.104) 17.602 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.506 24.680 10.126) 26.719 1.715 ( 7.953 23.390 26.857) 36.491 2.521 ( -6.259 29.661 36.529) 47.469 3.422 ( -3.045 -5.263 -3.555) 7.043 3.730 ( 1.475 -6.609 4.849) 8.329 3.916 ( 0.068 3.848 1.218) 4.037 4.063 ( 4.175 8.106 10.818) 14.147 4.080 ( 1.477 3.653 -8.243) 9.136 4.502 ( -5.800 10.175 4.063) 12.397 5.055 ( -2.065 -3.222 11.658) 12.270 5.193 ( 1.439 -5.457 9.972) 11.458 5.287 ( 6.318 -4.276 0.336) 7.636 5.542 ( 10.826 7.605 -9.176) 16.101 5.817 ( -14.651 0.166 3.430) 15.048 6.079 ( 3.894 -10.591 -1.233) 11.351 6.220 ( -2.969 -14.582 -3.750) 15.346 6.494 ( 1.312 -2.887 -15.330) 15.655 6.690 ( -3.017 8.525 -3.260) 9.613 6.871 ( 1.058 3.298 -3.493) 4.919 6.999 ( 2.210 -7.104 1.800) 7.655 7.039 ( -3.187 1.236 -7.972) 8.674 7.666 ( -0.964 -3.226 0.029) 3.367 7.718 ( 7.813 7.035 -7.373) 12.842 8.005 ( -1.143 9.450 -4.952) 10.730 8.247 ( -0.313 8.671 1.603) 8.823 8.830 ( 1.593 -2.624 -8.440) 8.981 9.105 ( 4.763 -28.592 23.995) 37.629 9.561 ( -1.943 4.475 1.452) 5.090 9.667 ( 0.354 2.031 2.928) 3.581 9.983 ( 0.370 4.728 -0.911) 4.830 10.059 ( 1.518 4.858 -0.752) 5.145 10.840 ( 0.416 -9.744 9.602) 13.686 11.047 ( -3.125 -15.830 7.809) 17.926 11.743 ( -0.169 -0.615 -2.339) 2.425 11.766 ( -1.464 -1.345 -0.327) 2.015 11.998 ( 1.296 -0.485 1.114) 1.776 12.281 ( 4.433 2.907 0.552) 5.330 12.315 ( -3.340 3.687 0.103) 4.976 12.961 ( -1.051 -0.792 -3.110) 3.377 13.068 ( 0.890 -0.662 -0.653) 1.287 13.320 ( 1.857 1.871 -1.538) 3.053 13.385 ( 1.013 5.249 -0.615) 5.381 13.473 ( -0.916 -1.458 -0.833) 1.913 13.658 ( -3.227 1.752 -3.053) 4.776 14.129 ( -3.756 4.818 -14.587) 15.815 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 6.508 23.173 6.428) 24.914 2.213 ( 6.059 21.576 25.189) 33.716 2.926 ( 2.729 7.854 18.302) 20.102 3.377 ( 3.106 0.550 6.645) 7.356 3.699 ( -0.219 -2.635 4.652) 5.351 3.860 ( -2.679 -3.677 -1.222) 4.710 4.144 ( -1.451 11.796 -6.140) 13.377 4.269 ( 4.893 6.617 5.375) 9.830 4.548 ( -1.649 6.826 -1.763) 7.240 5.125 ( -1.815 4.786 11.965) 13.014 5.159 ( -2.201 -3.034 14.537) 15.012 5.356 ( 3.029 -8.127 -0.499) 8.687 5.539 ( -5.747 1.498 2.534) 6.457 5.864 ( 4.987 2.136 -0.487) 5.447 5.960 ( 4.266 -5.776 -9.721) 12.085 6.116 ( 2.142 -9.040 5.744) 10.923 6.375 ( 0.145 -4.252 -15.454) 16.029 6.629 ( -10.462 4.549 2.033) 11.588 6.720 ( -12.475 -9.981 -5.280) 16.826 6.914 ( 0.712 3.313 -2.787) 4.387 7.076 ( 2.244 2.332 -4.135) 5.251 7.616 ( 0.362 -3.564 -3.154) 4.773 7.945 ( 13.932 6.715 -7.958) 17.393 8.058 ( -0.749 7.842 -2.015) 8.131 8.325 ( 0.645 4.168 0.176) 4.221 8.806 ( 4.855 -3.868 -6.939) 9.310 8.983 ( -3.257 -20.468 13.801) 24.900 9.592 ( -3.179 8.462 1.602) 9.180 9.705 ( 0.168 2.413 2.906) 3.781 10.070 ( 3.707 5.519 -0.278) 6.654 10.145 ( 3.449 5.888 -1.690) 7.030 10.760 ( -3.730 -13.533 5.502) 15.077 10.829 ( -7.841 -17.125 10.280) 21.458 11.716 ( -0.952 0.429 -2.726) 2.919 11.737 ( 0.884 -1.935 -0.976) 2.341 12.015 ( -0.525 0.928 1.342) 1.714 12.288 ( -3.482 1.437 1.789) 4.171 12.406 ( 5.587 3.863 0.592) 6.818 12.935 ( 0.767 -0.818 -3.032) 3.233 13.068 ( 0.191 -0.497 0.280) 0.602 13.348 ( -0.011 -1.414 -1.675) 2.192 13.381 ( -4.604 2.343 -1.086) 5.279 13.486 ( 1.664 6.079 -0.561) 6.328 13.641 ( 2.464 0.543 -3.440) 4.265 14.046 ( -0.351 0.756 -9.530) 9.566 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.822 19.826 4.547) 21.454 2.649 ( 4.756 16.534 22.424) 28.264 2.878 ( -5.933 -8.293 -0.984) 10.244 3.531 ( 1.311 -2.005 12.400) 12.629 3.694 ( 0.384 -5.301 -0.112) 5.316 3.881 ( 6.528 1.659 -1.514) 6.904 4.140 ( -5.809 9.346 -10.087) 14.928 4.452 ( 1.108 8.147 14.836) 16.962 4.539 ( 0.105 4.152 -6.394) 7.624 5.116 ( -5.712 1.663 10.398) 11.980 5.223 ( -7.354 -1.752 4.228) 8.662 5.318 ( 5.414 1.730 1.491) 5.876 5.620 ( 3.548 0.487 13.010) 13.494 5.734 ( -1.210 -4.970 -8.912) 10.276 6.076 ( -1.076 -11.481 -4.425) 12.351 6.127 ( 4.182 1.922 1.426) 4.818 6.258 ( 0.611 1.576 -2.910) 3.365 6.403 ( -9.132 -3.748 1.512) 9.987 6.549 ( -3.878 1.535 -3.743) 5.604 6.933 ( 0.510 1.935 -2.394) 3.120 7.059 ( -1.250 -0.962 -6.393) 6.584 7.583 ( 1.130 -0.820 -3.944) 4.184 8.084 ( -0.064 4.596 -3.272) 5.642 8.169 ( 8.810 2.929 -3.082) 9.782 8.341 ( -0.362 1.001 -0.901) 1.395 8.745 ( -3.859 -14.789 5.294) 16.175 8.893 ( 4.615 -1.021 -4.239) 6.349 9.634 ( -4.448 10.826 2.349) 11.937 9.777 ( 4.606 2.111 1.520) 5.290 10.177 ( 2.895 4.088 -0.789) 5.071 10.258 ( 3.617 6.045 -1.692) 7.245 10.484 ( -9.564 -16.607 1.832) 19.251 10.661 ( -5.556 -12.262 9.707) 16.597 11.696 ( -0.395 1.790 -2.839) 3.380 11.746 ( 2.851 -2.174 -0.152) 3.589 12.015 ( -1.472 1.154 0.946) 2.096 12.246 ( -3.366 -0.467 2.319) 4.115 12.541 ( 4.670 4.162 1.669) 6.474 12.911 ( -0.524 -1.502 -2.989) 3.386 13.086 ( 1.758 0.551 0.832) 2.021 13.239 ( -5.254 -1.983 -2.492) 6.143 13.385 ( 0.379 1.589 -0.936) 1.883 13.557 ( -0.018 3.965 1.056) 4.103 13.691 ( 5.119 0.176 -3.488) 6.197 14.021 ( 2.113 0.323 -4.641) 5.110 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.732 11.545 3.761) 12.164 2.575 ( -10.837 -6.358 -0.197) 12.565 3.070 ( 4.676 12.653 21.654) 25.512 3.482 ( -0.862 -5.732 -7.847) 9.756 3.739 ( 2.727 -4.675 13.377) 14.431 3.840 ( -1.781 -5.295 -17.121) 18.010 4.059 ( -4.106 7.578 -6.553) 10.827 4.573 ( 1.669 5.481 0.251) 5.735 4.622 ( -4.189 4.991 13.969) 15.414 5.103 ( -5.960 6.141 6.196) 10.565 5.130 ( -2.470 -5.665 2.670) 6.732 5.347 ( -3.203 0.238 -8.791) 9.360 5.659 ( 1.591 -3.944 3.822) 5.718 5.762 ( 4.402 0.286 -0.510) 4.441 5.813 ( -3.769 -8.668 -11.514) 14.896 6.194 ( -5.237 1.533 5.035) 7.425 6.290 ( 0.662 0.213 13.421) 13.439 6.351 ( -0.834 3.733 0.259) 3.833 6.587 ( 8.740 2.026 -2.366) 9.278 6.935 ( 1.730 -2.499 -5.477) 6.264 6.974 ( -2.196 0.948 -4.574) 5.161 7.585 ( 0.356 1.657 -1.541) 2.291 8.097 ( -0.339 2.169 0.195) 2.204 8.253 ( 2.008 1.905 -3.521) 4.479 8.374 ( 3.706 -1.507 1.576) 4.300 8.547 ( -6.090 -10.393 0.202) 12.047 8.953 ( 5.190 -1.716 -3.299) 6.385 9.677 ( -5.419 11.595 2.966) 13.138 9.920 ( 9.519 0.919 0.136) 9.565 10.133 ( -6.278 -11.051 -0.816) 12.736 10.284 ( -0.229 -0.486 -1.001) 1.136 10.345 ( -0.764 3.506 1.182) 3.778 10.523 ( -3.615 -5.731 3.059) 7.434 11.699 ( 0.519 2.260 -3.583) 4.268 11.785 ( 3.030 -1.725 2.582) 4.339 11.999 ( -1.711 0.328 0.025) 1.743 12.202 ( -2.208 -1.510 2.462) 3.635 12.645 ( 0.768 4.341 0.883) 4.496 12.863 ( -0.078 -2.172 -2.111) 3.030 13.133 ( -1.956 -2.430 -0.729) 3.203 13.147 ( 2.101 1.826 0.173) 2.789 13.397 ( 0.535 -0.033 -0.303) 0.615 13.571 ( -1.767 1.037 1.788) 2.720 13.760 ( 4.696 0.323 -2.935) 5.547 14.060 ( 3.273 1.853 -2.071) 4.294 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -17.376 -5.620 2.379) 18.417 2.476 ( -12.945 7.556 7.340) 16.689 3.267 ( -1.068 -0.423 -1.567) 1.943 3.392 ( -3.283 1.293 3.305) 4.835 3.596 ( 1.020 -6.181 -17.127) 18.237 3.865 ( 4.546 -2.197 3.457) 6.119 4.068 ( -2.113 4.545 6.492) 8.202 4.570 ( -12.631 3.648 8.254) 15.523 4.635 ( -2.103 5.684 1.285) 6.195 5.033 ( -4.004 -7.407 3.454) 9.101 5.102 ( -6.473 -2.492 -17.010) 18.370 5.176 ( -1.057 5.194 2.470) 5.848 5.626 ( -4.836 -2.826 1.445) 5.784 5.666 ( 2.846 -2.621 -4.143) 5.668 5.924 ( 11.757 -1.734 0.471) 11.893 6.118 ( -3.652 -1.180 4.082) 5.603 6.317 ( -1.297 2.049 -2.287) 3.333 6.491 ( 3.989 3.942 8.773) 10.412 6.782 ( 9.921 4.109 2.627) 11.055 6.865 ( 0.304 -2.931 -8.479) 8.977 6.988 ( 2.325 0.884 0.516) 2.540 7.599 ( -1.138 2.511 1.295) 3.046 8.143 ( 1.589 3.629 2.973) 4.953 8.245 ( -4.231 -1.344 -1.247) 4.611 8.388 ( 0.269 -4.751 -1.804) 5.090 8.411 ( 2.092 -4.583 1.267) 5.195 8.977 ( 1.974 -3.341 0.066) 3.881 9.706 ( -5.278 9.108 2.093) 10.733 9.891 ( -7.558 -6.477 -2.941) 10.379 10.126 ( 10.013 -0.793 2.681) 10.396 10.249 ( -0.528 -3.237 1.228) 3.503 10.345 ( -3.857 2.719 1.100) 4.846 10.499 ( 3.610 1.625 -5.578) 6.840 11.708 ( 0.437 1.902 -2.926) 3.517 11.836 ( 1.843 -0.843 3.366) 3.929 11.967 ( -1.196 -1.195 -0.246) 1.709 12.181 ( -0.256 -1.016 1.528) 1.853 12.629 ( -5.387 1.918 -1.417) 5.891 12.878 ( 3.890 -0.459 -0.082) 3.918 13.076 ( -1.886 -1.163 0.415) 2.254 13.231 ( 4.729 1.488 -0.090) 4.958 13.396 ( -0.029 -1.220 0.583) 1.352 13.553 ( -2.451 -0.030 2.502) 3.503 13.803 ( 1.633 0.430 -2.252) 2.814 14.130 ( 4.435 1.736 -2.297) 5.288 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -21.647 -0.648 6.278) 22.548 2.221 ( -26.623 1.773 4.898) 27.127 3.054 ( -17.105 0.246 -13.663) 21.893 3.336 ( -2.448 -4.220 4.442) 6.598 3.573 ( 4.710 -0.523 -4.734) 6.699 3.900 ( 1.840 -0.040 -5.236) 5.550 4.118 ( -4.710 1.671 13.939) 14.808 4.463 ( -9.342 3.720 9.971) 14.161 4.681 ( -0.298 5.906 -0.745) 5.960 4.785 ( -11.190 -2.710 -12.931) 17.314 4.896 ( -2.696 -9.555 -0.736) 9.955 5.292 ( 5.481 1.520 0.218) 5.692 5.549 ( -3.145 4.411 -1.756) 5.695 5.771 ( 7.508 0.732 6.787) 10.147 6.024 ( 1.323 -0.353 -2.251) 2.635 6.155 ( 8.399 -7.415 6.244) 12.826 6.330 ( 3.412 4.396 -6.425) 8.500 6.611 ( 5.110 1.004 1.726) 5.486 6.802 ( 1.862 -2.072 -9.003) 9.424 6.968 ( 2.432 4.922 0.078) 5.491 7.059 ( 6.122 -1.935 3.048) 7.108 7.615 ( -1.238 1.948 4.097) 4.703 8.095 ( -5.894 -6.099 0.545) 8.499 8.248 ( 0.798 5.872 5.675) 8.206 8.370 ( -1.281 -2.626 -1.371) 3.227 8.418 ( 2.793 -0.811 1.636) 3.337 8.970 ( 0.649 -2.853 1.691) 3.379 9.656 ( -4.828 -3.720 -4.016) 7.299 9.738 ( -8.015 6.418 1.723) 10.412 10.152 ( -3.959 0.018 3.065) 5.007 10.263 ( -6.928 -0.181 1.067) 7.012 10.396 ( 13.493 0.250 -0.049) 13.496 10.589 ( 9.704 0.167 -5.530) 11.171 11.714 ( 0.224 1.367 -1.896) 2.349 11.856 ( -0.618 -0.037 1.337) 1.474 11.948 ( 0.650 -1.961 0.981) 2.287 12.189 ( 0.999 -0.277 0.126) 1.045 12.531 ( -6.083 0.716 -0.674) 6.162 12.952 ( 4.232 0.857 0.008) 4.318 13.045 ( -1.299 -0.848 1.028) 1.861 13.317 ( 4.475 0.174 -1.491) 4.720 13.383 ( -0.776 -0.454 1.204) 1.503 13.519 ( -3.093 -0.421 2.224) 3.832 13.793 ( -1.670 0.487 -1.889) 2.568 14.210 ( 5.768 0.520 -3.591) 6.814 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -23.768 6.770 8.286) 26.066 1.727 ( -32.239 -1.383 -1.887) 32.324 2.618 ( -35.351 11.021 9.138) 38.140 3.338 ( 3.940 -1.576 0.821) 4.323 3.618 ( 2.875 -1.427 -0.506) 3.250 3.866 ( -0.771 -0.359 -8.102) 8.146 4.114 ( -5.096 -0.098 11.294) 12.391 4.395 ( -3.708 -2.812 -12.474) 13.314 4.443 ( -18.742 7.143 8.126) 21.641 4.817 ( 3.589 -7.846 1.848) 8.823 4.860 ( 7.925 5.520 2.616) 10.006 5.336 ( 3.047 -9.003 1.310) 9.594 5.591 ( -1.740 10.802 -1.733) 11.078 5.891 ( 2.853 -0.932 2.282) 3.770 6.085 ( 5.870 0.525 6.216) 8.566 6.234 ( 7.675 -8.921 1.254) 11.835 6.434 ( 7.659 5.526 -8.456) 12.677 6.740 ( 9.586 -0.562 -2.731) 9.983 6.783 ( 4.337 -1.627 -7.088) 8.467 6.955 ( -3.854 -0.300 -1.838) 4.280 7.141 ( 3.823 -1.632 -3.786) 5.622 7.644 ( 0.084 -1.459 5.242) 5.442 7.968 ( -5.554 -1.533 1.959) 6.085 8.256 ( -5.116 -2.219 0.774) 5.630 8.306 ( -5.298 5.990 -6.981) 10.615 8.530 ( 5.042 -0.430 17.753) 18.460 8.970 ( 0.767 -1.053 0.024) 1.304 9.532 ( -2.579 -0.840 -3.602) 4.509 9.683 ( -6.176 3.396 0.739) 7.086 10.094 ( -5.714 1.501 0.416) 5.922 10.142 ( -7.189 0.511 1.108) 7.292 10.606 ( 9.747 -0.947 3.224) 10.310 10.760 ( 14.951 -3.301 -1.462) 15.381 11.716 ( 0.309 0.218 -1.637) 1.680 11.850 ( -1.000 1.076 0.356) 1.511 11.953 ( 1.016 -1.254 0.783) 1.794 12.201 ( 0.987 -0.566 -0.834) 1.411 12.444 ( -5.472 1.309 0.878) 5.695 13.016 ( -0.115 2.060 -0.046) 2.063 13.038 ( 3.142 -2.190 0.556) 3.870 13.334 ( -0.006 -1.305 -0.784) 1.522 13.405 ( 1.794 1.578 -0.918) 2.559 13.464 ( -3.480 -1.187 0.136) 3.679 13.747 ( -3.037 1.140 -1.119) 3.431 14.282 ( 5.696 0.010 -5.707) 8.064 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -14.518 16.088 16.371) 27.159 1.759 ( -11.303 17.799 13.098) 24.821 3.089 ( -16.239 18.542 20.590) 32.116 3.533 ( 3.358 -1.530 13.619) 14.110 3.593 ( -6.016 -4.874 -9.087) 11.938 3.811 ( 1.994 8.938 6.530) 11.247 3.986 ( 3.210 -0.141 -11.625) 12.060 4.215 ( -5.188 4.791 8.652) 11.168 4.708 ( -4.526 7.103 -0.277) 8.427 4.770 ( 9.549 -2.981 0.701) 10.028 5.089 ( 5.551 -0.970 -1.101) 5.742 5.283 ( -5.742 1.446 14.784) 15.926 5.571 ( -7.538 -2.096 1.293) 7.930 5.880 ( 5.633 -7.873 3.838) 10.414 6.127 ( 6.216 -8.487 -11.109) 15.299 6.173 ( -1.327 -4.732 3.282) 5.910 6.477 ( 4.421 -3.556 0.972) 5.756 6.618 ( 5.094 -1.476 -7.246) 8.979 6.772 ( 7.792 5.351 -10.422) 14.070 6.908 ( -3.731 2.501 -7.619) 8.845 6.966 ( 0.244 -1.042 -0.984) 1.454 7.582 ( 0.406 -0.103 -0.736) 0.847 7.956 ( -8.351 4.085 -2.051) 9.520 8.119 ( -4.506 0.733 -0.994) 4.672 8.331 ( -4.225 6.210 -1.726) 7.707 8.726 ( 8.122 -16.550 11.641) 21.803 8.903 ( -0.620 -2.263 -4.262) 4.865 9.538 ( 2.713 3.134 -2.038) 4.619 9.717 ( -5.495 5.124 5.528) 9.328 10.035 ( -2.443 1.548 -2.295) 3.692 10.124 ( -5.260 4.637 -0.831) 7.061 10.713 ( 7.398 -9.604 7.174) 14.086 10.910 ( 10.537 -8.454 7.721) 15.560 11.721 ( 1.372 1.702 -0.594) 2.266 11.823 ( -2.287 -1.415 -1.773) 3.221 11.952 ( 0.795 -0.968 -0.045) 1.254 12.177 ( 1.417 -0.056 -0.100) 1.421 12.470 ( -4.587 4.371 1.975) 6.637 12.998 ( 1.748 -2.277 -3.140) 4.255 13.037 ( -1.346 -0.051 1.607) 2.097 13.322 ( 0.378 1.024 -2.319) 2.563 13.368 ( -1.023 0.616 -0.409) 1.263 13.418 ( 0.687 0.423 -2.211) 2.354 13.765 ( -2.058 2.378 -1.412) 3.447 14.240 ( 0.395 1.663 -7.688) 7.876 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -5.768 20.397 13.723) 25.251 1.991 ( 2.940 21.188 21.120) 30.060 3.133 ( -13.248 13.223 18.462) 26.291 3.429 ( -4.345 -1.174 2.198) 5.009 3.645 ( 4.380 -4.477 8.739) 10.752 3.883 ( 1.423 -3.588 -5.964) 7.105 4.082 ( 3.259 13.615 1.357) 14.065 4.232 ( -4.069 7.083 7.952) 11.400 4.678 ( -4.536 5.418 -3.648) 7.952 4.974 ( 13.579 0.357 -3.805) 14.106 5.142 ( 0.847 0.468 11.975) 12.014 5.316 ( -2.974 -1.621 10.219) 10.765 5.493 ( -0.028 3.359 2.028) 3.924 5.908 ( 3.817 -8.188 -0.914) 9.080 6.008 ( -5.288 -6.499 2.243) 8.673 6.089 ( -0.949 -8.251 -2.056) 8.556 6.391 ( -3.332 -2.698 -12.814) 13.512 6.732 ( 7.598 0.883 1.627) 7.821 6.855 ( -1.001 4.394 -5.553) 7.151 6.873 ( 3.625 -5.812 -3.107) 7.521 6.983 ( 5.078 5.260 -8.363) 11.108 7.621 ( 3.079 2.046 -1.309) 3.922 7.797 ( -11.356 1.794 -1.675) 11.618 8.069 ( -1.985 4.944 -3.620) 6.441 8.333 ( -1.428 4.179 0.071) 4.417 8.719 ( 2.373 -9.372 -1.813) 9.836 8.868 ( 5.669 -15.030 6.360) 17.277 9.624 ( 2.059 7.673 -1.084) 8.018 9.728 ( -2.089 3.704 4.936) 6.515 10.036 ( 0.103 4.100 -1.858) 4.502 10.093 ( -2.890 5.146 -1.057) 5.996 10.746 ( 3.922 -12.816 7.459) 15.338 10.956 ( 2.149 -14.341 7.973) 16.548 11.720 ( -1.202 -1.158 -4.047) 4.378 11.785 ( -0.750 0.032 1.149) 1.372 11.967 ( 2.122 -0.664 1.152) 2.505 12.232 ( 3.997 2.352 -0.306) 4.648 12.443 ( -5.436 4.649 1.938) 7.410 12.956 ( -1.272 -1.374 -3.560) 4.022 13.042 ( 0.859 -0.919 1.227) 1.758 13.316 ( -0.102 1.964 -1.196) 2.302 13.410 ( 2.254 4.302 -0.514) 4.884 13.423 ( 2.131 -1.860 -1.425) 3.167 13.721 ( -3.882 1.186 -3.130) 5.126 14.165 ( -4.465 1.622 -9.328) 10.468 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.764 21.324 7.355) 22.570 2.430 ( 7.947 18.542 22.320) 30.086 3.044 ( -5.930 -5.496 -2.339) 8.417 3.527 ( -3.013 9.542 25.633) 27.517 3.681 ( 0.963 -4.575 3.244) 5.691 3.799 ( 0.059 -5.191 -5.283) 7.407 4.221 ( 0.854 6.479 0.534) 6.557 4.370 ( 1.149 15.721 2.849) 16.018 4.619 ( -3.455 2.257 -5.146) 6.596 5.090 ( 6.676 -2.762 -3.969) 8.243 5.250 ( -2.408 -1.857 8.906) 9.411 5.371 ( 3.282 3.620 21.652) 22.197 5.627 ( 2.518 8.029 1.411) 8.532 5.795 ( 0.153 -10.592 -8.462) 13.558 5.884 ( -6.690 0.325 3.253) 7.447 6.052 ( 1.903 -4.569 6.219) 7.948 6.242 ( 0.211 -1.808 -15.851) 15.955 6.721 ( -5.686 -6.795 -6.634) 11.068 6.802 ( -0.897 -3.759 3.261) 5.057 6.924 ( 1.381 4.844 -1.710) 5.319 7.038 ( 1.127 2.963 -7.745) 8.368 7.601 ( -5.048 -4.931 4.400) 8.316 7.763 ( 8.231 8.079 -10.841) 15.828 8.103 ( 1.285 5.677 -2.454) 6.317 8.349 ( -0.359 1.680 -0.173) 1.727 8.649 ( 2.132 -6.281 -5.889) 8.870 8.840 ( 4.229 -17.261 6.884) 19.058 9.715 ( -0.743 6.943 2.257) 7.339 9.786 ( -0.704 7.805 1.842) 8.050 10.090 ( 1.393 7.521 -0.967) 7.710 10.122 ( 2.030 3.876 -2.237) 4.914 10.682 ( -0.274 -16.172 5.892) 17.214 10.821 ( -4.269 -17.544 8.220) 19.839 11.664 ( 0.084 -1.592 -4.269) 4.557 11.768 ( -1.919 -0.034 1.111) 2.218 12.016 ( 1.992 0.454 1.581) 2.583 12.337 ( 4.207 3.465 -1.505) 5.654 12.408 ( -3.944 3.264 3.418) 6.155 12.911 ( -0.447 -0.359 -2.685) 2.746 13.050 ( 0.772 -1.218 0.437) 1.507 13.332 ( 0.255 0.837 -0.867) 1.232 13.435 ( 0.904 -0.220 0.156) 0.943 13.504 ( 2.545 5.349 -0.520) 5.946 13.631 ( -3.635 0.234 -3.687) 5.183 14.040 ( -4.223 0.708 -8.156) 9.212 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 4.624 19.452 4.374) 20.467 2.788 ( 0.556 -0.872 6.230) 6.316 2.918 ( 1.598 6.702 9.244) 11.529 3.548 ( -3.691 -7.636 -8.038) 11.685 3.670 ( 0.252 -4.412 11.740) 12.544 3.876 ( 1.414 6.219 15.363) 16.634 4.249 ( -4.130 5.966 -6.173) 9.526 4.476 ( 2.770 4.298 -15.085) 15.928 4.627 ( -0.810 6.024 14.449) 15.675 5.100 ( 2.127 -6.092 -2.321) 6.857 5.274 ( -0.667 2.593 6.077) 6.641 5.554 ( -8.195 8.203 13.541) 17.827 5.630 ( -1.063 -7.209 -10.124) 12.474 5.669 ( 1.144 1.683 9.979) 10.185 5.918 ( 5.010 -2.021 -5.750) 7.889 6.094 ( 2.169 -1.025 6.869) 7.276 6.229 ( 4.924 5.155 -3.809) 8.083 6.495 ( -7.533 -6.844 -4.406) 11.090 6.684 ( -10.493 -1.693 1.854) 10.790 6.905 ( -0.618 -1.220 -7.695) 7.816 7.047 ( -0.345 3.563 -4.037) 5.396 7.547 ( 0.198 -3.431 5.391) 6.394 7.942 ( 11.812 5.395 -12.786) 18.224 8.162 ( 0.458 4.255 -0.017) 4.279 8.343 ( -0.565 -0.152 -1.457) 1.570 8.607 ( 3.772 -9.263 -1.327) 10.089 8.775 ( 2.491 -9.923 -0.239) 10.234 9.762 ( -0.471 2.028 3.883) 4.406 9.860 ( -3.565 14.069 -0.412) 14.520 10.169 ( 1.259 3.236 -1.890) 3.954 10.236 ( 5.422 8.111 -1.592) 9.885 10.475 ( -6.767 -17.129 3.282) 18.707 10.649 ( -2.654 -15.685 8.416) 17.998 11.646 ( 2.016 -0.835 -3.810) 4.391 11.750 ( -1.173 0.405 2.020) 2.371 12.043 ( -0.266 0.410 0.410) 0.637 12.321 ( -4.540 0.914 -0.215) 4.636 12.506 ( 5.576 3.432 3.136) 7.260 12.893 ( -0.248 -0.320 -2.013) 2.053 13.059 ( 1.489 -0.732 -0.010) 1.659 13.303 ( -3.811 -0.646 -0.983) 3.988 13.417 ( -3.305 1.868 -1.172) 3.973 13.566 ( 4.068 1.387 -1.818) 4.666 13.622 ( 0.216 1.701 -0.250) 1.733 13.976 ( 0.930 1.001 -3.961) 4.190 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.928 11.060 1.796) 11.370 2.656 ( -3.875 -3.122 0.196) 4.980 3.202 ( 4.184 5.219 8.824) 11.072 3.359 ( 0.176 -5.730 -4.803) 7.479 3.712 ( 2.439 -1.889 0.951) 3.228 3.915 ( -12.597 -1.202 10.563) 16.483 4.162 ( -3.546 5.343 -2.647) 6.938 4.511 ( 6.764 3.477 -10.869) 13.266 4.755 ( 0.321 -2.054 14.739) 14.885 5.055 ( 0.819 -4.838 -1.968) 5.287 5.282 ( -6.053 4.633 0.459) 7.636 5.497 ( -7.628 5.266 -6.509) 11.326 5.574 ( 5.287 -2.745 -0.613) 5.988 5.702 ( -3.112 2.532 -5.709) 6.978 5.851 ( -7.623 -6.112 9.273) 13.471 6.247 ( 6.389 1.555 8.193) 10.506 6.321 ( 1.498 -1.764 3.525) 4.217 6.430 ( 0.817 6.821 4.401) 8.159 6.496 ( -4.239 -3.608 -4.863) 7.392 6.826 ( 0.944 -3.381 -9.231) 9.876 7.030 ( -3.183 4.224 -3.104) 6.133 7.588 ( 1.542 -0.116 5.991) 6.188 8.072 ( 6.946 2.951 -8.432) 11.316 8.196 ( 1.025 1.560 -1.083) 2.158 8.336 ( 0.931 -0.612 0.748) 1.342 8.518 ( -2.999 -11.265 0.115) 11.658 8.779 ( 7.749 -3.659 -4.640) 9.745 9.816 ( 3.644 0.151 3.040) 4.747 9.921 ( -6.038 13.017 0.528) 14.359 10.114 ( -3.954 -9.300 -1.328) 10.192 10.272 ( -1.196 -1.632 -1.392) 2.456 10.407 ( 1.175 8.413 0.781) 8.530 10.518 ( -1.922 -11.459 5.123) 12.698 11.662 ( 2.501 0.342 -3.141) 4.030 11.770 ( 0.846 0.558 3.668) 3.805 12.022 ( -1.680 -0.536 -1.403) 2.253 12.248 ( -3.825 -0.954 0.401) 3.963 12.649 ( 5.057 3.368 2.875) 6.722 12.855 ( -2.250 -1.161 -1.864) 3.144 13.088 ( 2.644 -0.536 -0.352) 2.720 13.205 ( -5.517 0.811 -0.784) 5.631 13.389 ( -0.309 -0.355 -0.648) 0.801 13.610 ( -1.210 -0.437 -1.019) 1.642 13.656 ( 5.393 0.740 -0.199) 5.448 14.028 ( 3.043 2.887 -0.188) 4.199 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -10.199 -2.655 1.805) 10.692 2.713 ( -1.844 8.284 3.363) 9.128 3.132 ( 4.578 -8.878 -13.983) 17.184 3.453 ( -4.240 -0.579 -4.542) 6.240 3.594 ( -6.029 -0.014 6.072) 8.557 3.850 ( -0.253 2.542 6.969) 7.422 4.196 ( -2.406 2.622 12.573) 13.067 4.591 ( 5.573 4.436 -12.790) 14.640 4.743 ( -2.363 -9.587 5.386) 11.247 4.986 ( -2.539 -6.393 -1.293) 6.999 5.228 ( -2.128 4.154 -5.963) 7.572 5.309 ( -14.552 5.437 -3.623) 15.952 5.600 ( -1.139 0.554 -5.078) 5.234 5.719 ( 5.419 0.894 -1.532) 5.702 5.765 ( -3.943 0.624 13.419) 14.001 6.202 ( -6.195 -3.720 0.652) 7.255 6.317 ( -0.358 -4.415 -3.772) 5.818 6.522 ( 3.517 2.668 3.536) 5.656 6.627 ( 10.569 2.207 1.571) 10.911 6.793 ( 1.852 0.580 -2.298) 3.008 7.002 ( -1.831 3.611 -2.349) 4.681 7.640 ( 0.250 -0.013 4.256) 4.263 8.168 ( 3.795 5.405 0.581) 6.629 8.227 ( 1.908 -1.988 -2.409) 3.660 8.335 ( -3.219 -7.461 -2.294) 8.444 8.354 ( 1.174 -1.890 1.769) 2.842 8.863 ( 7.069 -3.442 -0.340) 7.870 9.826 ( -5.697 -6.617 -0.813) 8.769 9.935 ( 5.690 2.111 0.255) 6.074 10.044 ( -3.651 8.177 2.045) 9.186 10.244 ( -0.203 -2.513 -0.046) 2.521 10.410 ( -1.468 -2.595 -1.519) 3.346 10.488 ( -2.532 4.918 0.380) 5.545 11.691 ( 1.698 1.468 -2.067) 3.051 11.827 ( 1.993 0.331 4.680) 5.098 11.965 ( -1.774 -2.155 -2.691) 3.877 12.191 ( -1.778 -0.938 -0.103) 2.013 12.739 ( -4.349 3.439 0.580) 5.574 12.800 ( 3.557 -2.194 -0.524) 4.212 13.105 ( -0.787 -0.977 1.481) 1.941 13.174 ( 1.542 1.858 -1.639) 2.918 13.385 ( 0.515 -1.092 0.668) 1.380 13.580 ( -0.388 -1.583 -0.613) 1.741 13.743 ( 3.965 0.533 0.260) 4.009 14.097 ( 1.635 2.736 -0.024) 3.187 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -14.697 0.918 4.333) 15.350 2.626 ( -16.136 -0.351 0.038) 16.140 3.035 ( 1.334 -4.456 -15.345) 16.034 3.308 ( 1.541 2.138 -5.746) 6.322 3.620 ( -3.725 -2.106 12.928) 13.618 3.914 ( -2.018 4.854 3.178) 6.143 4.255 ( -2.735 -1.210 14.873) 15.171 4.567 ( -5.258 -6.353 -9.803) 12.810 4.633 ( 5.328 0.813 -12.516) 13.627 4.849 ( -3.556 -8.409 1.561) 9.263 5.069 ( -15.124 4.057 2.801) 15.907 5.263 ( -2.533 5.443 1.576) 6.207 5.590 ( 0.738 5.365 -4.895) 7.300 5.784 ( 1.763 4.698 7.709) 9.198 5.897 ( 7.972 -3.242 4.771) 9.840 6.081 ( -2.161 -2.529 -2.590) 4.216 6.280 ( 2.094 -2.148 -3.695) 4.759 6.546 ( 3.347 -3.436 -5.735) 7.477 6.721 ( -0.548 3.473 -6.704) 7.570 6.915 ( 7.574 0.451 7.121) 10.406 7.016 ( 0.462 1.971 -1.251) 2.380 7.646 ( -0.021 -2.959 3.353) 4.472 8.112 ( -3.881 -5.128 -1.301) 6.561 8.302 ( 1.160 -1.402 0.543) 1.899 8.331 ( 4.254 3.835 4.439) 7.246 8.387 ( 2.814 2.261 1.342) 3.852 8.926 ( 3.078 -3.395 3.512) 5.774 9.660 ( -4.312 -6.338 -3.228) 8.317 9.976 ( -7.988 10.246 -1.774) 13.113 10.163 ( 9.541 0.600 3.956) 10.346 10.221 ( -0.994 -1.331 1.875) 2.505 10.385 ( 2.870 -0.983 -5.126) 5.956 10.453 ( -4.610 1.838 0.415) 4.980 11.716 ( 0.326 1.637 -1.177) 2.042 11.878 ( -0.455 0.564 1.572) 1.731 11.911 ( 1.276 -3.001 0.340) 3.279 12.170 ( 0.195 -0.025 -1.472) 1.485 12.641 ( -6.350 0.361 -0.465) 6.377 12.881 ( 4.647 0.186 0.681) 4.700 13.087 ( -2.245 0.518 2.141) 3.145 13.226 ( 4.309 -0.065 -2.921) 5.206 13.391 ( 0.297 -0.396 1.214) 1.311 13.554 ( -0.855 -1.714 0.090) 1.917 13.794 ( 1.278 0.489 0.115) 1.373 14.136 ( 1.608 1.392 -1.570) 2.644 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -16.838 5.164 2.185) 17.748 2.217 ( -28.072 -0.984 1.034) 28.108 3.002 ( 4.627 1.878 -9.596) 10.818 3.368 ( -3.598 4.515 12.062) 13.372 3.612 ( -2.046 -0.203 8.637) 8.878 3.893 ( -5.649 4.900 -3.106) 8.097 4.230 ( -5.049 -5.627 7.047) 10.336 4.328 ( -4.183 -6.834 -13.547) 15.739 4.685 ( 3.535 3.015 -6.968) 8.375 4.761 ( 0.768 -5.761 0.546) 5.837 4.916 ( -11.607 5.738 10.014) 16.368 5.289 ( -1.729 1.388 8.126) 8.423 5.659 ( 2.024 7.686 -3.986) 8.892 5.868 ( -0.937 -1.681 2.777) 3.379 6.014 ( 8.607 -4.591 4.859) 10.898 6.075 ( 3.494 -0.119 0.136) 3.498 6.310 ( 5.564 0.327 -5.345) 7.723 6.543 ( 7.326 -5.315 -9.279) 12.962 6.700 ( -0.227 4.397 -6.106) 7.528 6.994 ( -2.469 0.502 -3.536) 4.342 7.047 ( 4.558 -2.833 3.255) 6.277 7.639 ( 0.519 -4.256 4.002) 5.865 8.039 ( -2.412 0.714 0.431) 2.552 8.256 ( -0.631 -5.770 -0.213) 5.808 8.406 ( -1.707 5.934 -2.874) 6.811 8.534 ( 4.799 1.347 10.817) 11.910 8.949 ( 0.771 -1.612 2.004) 2.685 9.533 ( -2.427 -2.743 -3.487) 5.057 9.885 ( -11.000 7.249 -1.383) 13.246 10.198 ( -3.417 1.936 0.518) 3.962 10.263 ( -4.715 -0.616 0.400) 4.772 10.445 ( 11.177 0.404 3.848) 11.828 10.486 ( 9.355 -4.784 -0.513) 10.520 11.712 ( -0.673 0.219 -1.493) 1.652 11.869 ( 0.077 0.795 -0.859) 1.173 11.935 ( 0.853 -0.901 2.503) 2.794 12.170 ( 0.939 -0.220 -1.903) 2.134 12.551 ( -5.102 0.949 0.790) 5.250 12.954 ( 3.922 -0.818 0.046) 4.006 13.068 ( -2.331 1.239 1.741) 3.162 13.267 ( 3.815 -1.509 -3.133) 5.162 13.399 ( 0.034 0.695 -0.030) 0.696 13.513 ( -2.559 -1.179 -0.027) 2.818 13.797 ( -1.640 1.139 0.063) 1.998 14.173 ( 3.676 0.539 -3.340) 4.996 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -7.333 14.478 11.013) 19.613 2.174 ( -15.618 8.251 12.256) 21.499 3.127 ( 16.439 -0.566 -0.350) 16.452 3.569 ( -6.246 -8.143 -12.533) 16.198 3.700 ( -1.165 -3.601 10.041) 10.731 3.971 ( -2.818 8.340 13.029) 15.724 3.998 ( -4.504 13.659 -3.604) 14.827 4.336 ( 1.555 2.939 7.663) 8.353 4.624 ( 3.402 -4.091 -0.214) 5.325 4.738 ( 2.433 5.680 -10.072) 11.816 5.047 ( 0.656 -0.316 6.972) 7.010 5.548 ( -10.020 0.163 11.821) 15.497 5.672 ( -5.506 -0.960 4.211) 6.998 5.806 ( 1.046 -0.333 0.380) 1.161 5.905 ( 3.350 -3.531 -4.429) 6.581 6.142 ( 3.005 -4.794 2.064) 6.022 6.273 ( 13.484 -6.940 -11.075) 18.778 6.402 ( 4.933 -1.230 0.349) 5.096 6.752 ( -0.519 3.929 -4.213) 5.784 6.947 ( -0.841 0.917 0.710) 1.433 6.982 ( -3.086 0.159 -2.563) 4.015 7.579 ( -0.801 1.773 -3.693) 4.174 8.095 ( -4.172 2.297 -0.471) 4.785 8.146 ( 0.992 0.342 0.803) 1.321 8.415 ( -3.025 0.768 -2.127) 3.777 8.561 ( 0.308 -10.339 3.797) 11.018 8.901 ( -3.246 1.012 -6.706) 7.519 9.520 ( 2.581 4.082 -0.469) 4.853 9.931 ( -8.532 6.518 5.325) 11.984 10.080 ( -4.913 -0.885 -3.020) 5.834 10.232 ( -3.158 3.338 -1.219) 4.754 10.486 ( 11.224 -10.920 4.644) 16.334 10.708 ( 10.582 -5.090 5.557) 12.991 11.720 ( 0.901 2.141 -0.326) 2.346 11.835 ( -1.900 -1.388 -1.186) 2.635 11.938 ( -0.384 -0.631 -0.924) 1.183 12.157 ( 0.946 -0.566 1.084) 1.546 12.587 ( -2.202 4.107 2.214) 5.159 12.928 ( 1.290 -2.510 -2.098) 3.517 13.082 ( -2.558 0.406 1.636) 3.064 13.249 ( 4.329 -1.587 -1.975) 5.016 13.387 ( -1.451 0.177 -1.094) 1.825 13.459 ( -2.910 2.024 -0.466) 3.576 13.803 ( -1.529 1.331 -2.054) 2.886 14.188 ( 2.493 0.215 -3.009) 3.913 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -11.826 15.135 15.674) 24.791 2.242 ( 2.393 15.746 13.307) 20.754 3.259 ( -3.616 -7.543 -10.007) 13.043 3.439 ( 9.661 -2.211 8.270) 12.908 3.717 ( 0.276 -2.540 7.612) 8.029 3.895 ( -10.064 5.219 0.907) 11.373 4.206 ( 1.647 14.059 5.897) 15.334 4.391 ( -3.069 2.727 7.191) 8.280 4.673 ( 5.111 1.847 -16.850) 17.705 4.801 ( 4.947 6.399 0.923) 8.141 5.146 ( 5.373 -0.852 12.245) 13.399 5.433 ( -5.821 -7.615 9.138) 13.243 5.639 ( -5.826 6.556 9.752) 13.116 5.762 ( 1.127 -4.024 -10.590) 11.384 5.950 ( 2.360 -1.815 8.658) 9.156 6.104 ( -1.991 -3.220 -0.284) 3.797 6.388 ( -1.443 -1.790 -9.286) 9.567 6.437 ( 14.927 -5.425 -4.221) 16.434 6.751 ( 3.211 -1.369 -3.982) 5.295 6.919 ( -1.830 -2.215 -3.182) 4.287 6.961 ( -1.490 6.492 -0.135) 6.662 7.598 ( 1.889 4.523 -2.999) 5.746 8.008 ( -9.997 2.445 0.243) 10.294 8.134 ( -3.135 2.121 -1.306) 4.004 8.370 ( -1.058 -0.092 -0.927) 1.409 8.521 ( 6.120 -13.373 4.494) 15.378 8.784 ( -4.169 -1.906 -7.014) 8.379 9.638 ( 4.413 8.943 -1.106) 10.034 9.860 ( -6.578 2.978 1.028) 7.293 10.053 ( -0.230 2.181 1.810) 2.844 10.210 ( -3.633 6.225 -1.524) 7.367 10.557 ( 7.620 -14.113 5.700) 17.022 10.806 ( 5.627 -11.035 5.044) 13.374 11.713 ( -1.901 -0.840 -3.611) 4.166 11.811 ( -0.800 1.432 1.374) 2.140 11.932 ( 1.663 -1.044 0.703) 2.086 12.193 ( 2.738 1.118 0.576) 3.013 12.593 ( -4.698 4.949 2.417) 7.240 12.913 ( 1.605 -2.541 -2.702) 4.042 13.055 ( -1.819 -0.082 1.527) 2.377 13.295 ( 4.556 -1.529 -1.740) 5.111 13.357 ( -1.086 0.157 -0.809) 1.363 13.451 ( -0.938 3.698 -0.074) 3.815 13.763 ( -2.551 0.666 -3.708) 4.550 14.176 ( -1.293 -0.585 -4.662) 4.873 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -4.856 16.380 8.093) 18.904 2.588 ( 7.136 14.078 18.154) 24.056 3.025 ( -5.155 -8.678 -7.802) 12.758 3.608 ( 3.818 -3.933 2.339) 5.960 3.711 ( -1.108 -5.158 -3.084) 6.111 3.858 ( -3.157 6.586 21.496) 22.703 4.289 ( -2.362 1.357 4.968) 5.666 4.473 ( 1.483 13.087 -14.268) 19.418 4.647 ( 0.311 3.484 -2.297) 4.185 4.950 ( 5.402 4.142 -3.478) 7.644 5.304 ( -1.296 -4.281 10.360) 11.285 5.398 ( 7.423 -5.122 17.853) 20.002 5.641 ( 0.885 -7.418 -6.379) 9.824 5.771 ( -1.449 16.778 6.326) 17.989 6.006 ( 0.910 -3.032 1.247) 3.402 6.066 ( -2.579 1.220 9.016) 9.456 6.174 ( -9.006 -0.828 -15.582) 18.017 6.590 ( 8.355 -8.084 -3.363) 12.103 6.775 ( 1.239 -2.565 -0.904) 2.988 6.849 ( 5.341 -2.607 -8.538) 10.403 7.022 ( 0.494 5.382 0.450) 5.424 7.663 ( 2.430 4.575 -3.854) 6.457 7.802 ( -14.159 -1.525 1.832) 14.358 8.126 ( -0.156 4.202 -0.632) 4.252 8.361 ( -0.110 0.276 -1.064) 1.105 8.528 ( 4.031 -8.784 1.998) 9.869 8.674 ( 0.095 -5.999 -3.260) 6.828 9.786 ( 0.720 6.812 -1.159) 6.948 9.855 ( 2.580 8.088 0.873) 8.534 10.086 ( 0.954 1.978 0.254) 2.211 10.218 ( -3.402 9.714 -1.335) 10.379 10.534 ( 3.181 -16.390 5.419) 17.553 10.739 ( -0.976 -15.642 4.118) 16.205 11.643 ( -1.864 -1.387 -2.826) 3.659 11.801 ( -1.580 0.213 -0.221) 1.609 11.989 ( 3.049 0.621 2.401) 3.930 12.279 ( 5.009 2.318 0.251) 5.525 12.550 ( -6.359 3.491 1.397) 7.388 12.896 ( 0.286 -0.985 -2.060) 2.301 13.041 ( -0.575 -0.661 1.001) 1.330 13.343 ( -0.615 0.761 -0.632) 1.164 13.362 ( 5.622 -1.346 -0.118) 5.782 13.505 ( 2.232 4.336 0.609) 4.914 13.682 ( -4.189 -0.323 -3.977) 5.785 14.079 ( -4.896 -1.147 -5.341) 7.336 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.916 14.916 4.676) 15.658 2.739 ( -1.501 -9.315 -2.715) 9.818 3.030 ( 5.357 11.743 13.569) 18.727 3.466 ( -4.510 -8.694 -12.180) 15.630 3.682 ( -0.036 -2.593 4.127) 4.874 4.066 ( 0.755 3.833 26.391) 26.678 4.303 ( 0.861 1.415 0.505) 1.732 4.397 ( -3.393 3.153 -22.683) 23.151 4.747 ( 0.687 5.596 5.075) 7.586 5.021 ( 2.249 1.283 -2.964) 3.935 5.288 ( 1.382 -3.903 6.607) 7.798 5.524 ( -0.660 -4.964 -6.250) 8.009 5.659 ( 9.780 -0.285 16.360) 19.062 5.832 ( -12.605 -1.005 -5.064) 13.621 5.928 ( -5.169 10.669 1.079) 11.904 6.095 ( 4.966 -0.969 -1.288) 5.221 6.157 ( 5.003 6.688 5.498) 10.000 6.473 ( -3.899 -8.936 -6.904) 11.946 6.771 ( -0.426 -2.817 1.964) 3.461 6.869 ( 0.302 -1.219 -7.758) 7.859 7.074 ( 0.306 3.319 0.165) 3.337 7.610 ( -6.907 -4.060 10.256) 13.014 7.733 ( 7.038 4.510 -12.831) 15.313 8.180 ( 1.274 2.979 0.609) 3.297 8.344 ( -0.718 -0.272 -1.682) 1.849 8.512 ( 0.313 -2.096 -0.004) 2.119 8.624 ( 2.933 -8.099 -0.895) 8.660 9.818 ( -0.744 1.339 2.096) 2.596 10.003 ( 0.616 10.365 -1.149) 10.447 10.157 ( 4.010 5.727 -3.095) 7.646 10.271 ( -1.172 9.683 -0.383) 9.761 10.414 ( -1.745 -14.972 4.055) 15.610 10.569 ( -2.147 -15.395 3.800) 16.002 11.603 ( 0.045 -0.603 -1.733) 1.835 11.779 ( -0.884 0.061 0.417) 0.979 12.042 ( 0.983 0.300 0.821) 1.316 12.375 ( 1.496 1.567 -0.608) 2.250 12.494 ( -1.610 1.530 1.833) 2.880 12.885 ( 0.018 0.020 -1.042) 1.042 13.034 ( 0.291 -0.690 0.189) 0.773 13.332 ( -0.729 0.011 -0.296) 0.787 13.454 ( 3.721 0.735 2.205) 4.387 13.524 ( -3.059 -0.048 -4.483) 5.428 13.641 ( 0.861 1.895 1.109) 2.359 13.967 ( -2.361 -0.443 -3.261) 4.050 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 1.725 -2.401 -1.663) 3.392 2.672 ( 1.487 5.125 1.376) 5.511 3.130 ( -3.998 -9.615 -12.273) 16.095 3.386 ( 3.899 6.986 12.091) 14.498 3.682 ( 0.149 0.013 -0.900) 0.912 4.166 ( -9.681 -0.786 -10.051) 13.978 4.255 ( -0.032 1.515 16.935) 17.003 4.352 ( 4.401 1.307 -4.926) 6.733 4.782 ( -0.812 -5.420 5.673) 7.887 5.014 ( -0.440 -2.732 0.197) 2.774 5.352 ( 6.265 3.119 -11.191) 13.199 5.432 ( -5.516 3.817 -4.830) 8.266 5.600 ( -6.164 -2.768 -6.114) 9.113 5.875 ( -6.196 5.215 7.162) 10.811 5.945 ( 3.261 -1.141 16.356) 16.717 6.142 ( 5.922 -3.587 -3.692) 7.847 6.246 ( 1.090 -5.934 -6.303) 8.725 6.424 ( 4.274 6.030 2.500) 7.802 6.678 ( -12.500 0.219 5.587) 13.694 6.768 ( -1.846 0.377 -5.872) 6.167 7.083 ( -1.112 1.605 -2.323) 3.035 7.617 ( 0.149 -2.380 12.837) 13.056 7.851 ( 12.653 2.818 -12.922) 18.304 8.197 ( -0.155 -0.652 -1.693) 1.820 8.336 ( 0.043 0.406 1.475) 1.531 8.484 ( -2.595 -2.181 -0.582) 3.439 8.616 ( 4.616 -2.853 -1.440) 5.614 9.816 ( -0.869 -0.579 2.768) 2.958 10.066 ( 0.360 -2.588 -3.239) 4.161 10.101 ( -7.096 -2.873 1.254) 7.758 10.306 ( -1.142 8.045 -2.399) 8.472 10.413 ( 2.966 -9.938 3.738) 11.025 10.487 ( 1.022 8.647 0.030) 8.707 11.612 ( 1.955 0.224 -0.490) 2.028 11.784 ( 0.447 0.527 1.631) 1.771 12.032 ( -1.534 -0.712 -1.584) 2.317 12.317 ( -5.209 -0.792 -0.653) 5.310 12.582 ( 6.362 0.467 1.681) 6.597 12.874 ( -1.069 -0.043 -0.115) 1.076 13.045 ( 1.556 -0.116 -0.621) 1.679 13.306 ( -3.789 1.231 0.447) 4.009 13.400 ( -3.433 -0.954 -2.468) 4.334 13.561 ( 2.759 -0.821 0.655) 2.952 13.643 ( -0.099 0.088 0.583) 0.598 13.998 ( 4.103 2.308 1.671) 4.995 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 1.747 -7.357 -2.561) 7.983 2.705 ( -1.682 -6.870 -13.412) 15.163 2.986 ( 2.861 3.792 1.961) 5.139 3.516 ( -5.051 0.875 -1.550) 5.355 3.671 ( -0.564 2.289 0.493) 2.409 3.968 ( -3.767 0.903 -1.604) 4.193 4.362 ( -3.266 -0.899 22.037) 22.296 4.410 ( 7.028 0.736 -10.918) 13.006 4.685 ( -2.703 -10.729 -0.794) 11.093 4.961 ( -1.274 -6.660 -0.123) 6.782 5.286 ( -8.100 4.222 -15.231) 17.760 5.395 ( 3.227 5.297 -10.048) 11.808 5.557 ( 0.917 1.198 3.284) 3.614 5.816 ( -5.553 2.502 5.140) 7.969 6.000 ( -7.049 3.871 9.546) 12.482 6.120 ( 6.296 -9.578 -6.881) 13.369 6.320 ( -8.746 -5.197 -3.081) 10.630 6.378 ( 8.223 0.258 2.056) 8.480 6.644 ( -2.949 5.608 3.522) 7.249 6.784 ( 3.111 4.207 3.721) 6.420 7.050 ( -1.804 0.780 -3.439) 3.961 7.648 ( -0.412 -3.803 5.748) 6.905 8.041 ( 12.129 1.762 -3.740) 12.814 8.180 ( 1.541 -2.735 -0.587) 3.194 8.348 ( -0.700 -0.266 1.131) 1.356 8.381 ( -6.175 2.401 -1.572) 6.810 8.709 ( 7.566 -0.727 1.602) 7.768 9.817 ( -2.242 -7.732 2.093) 8.318 9.880 ( -0.628 -5.039 2.416) 5.624 10.121 ( 2.088 2.179 -4.496) 5.415 10.321 ( -4.317 4.002 1.306) 6.030 10.361 ( -0.647 -1.165 -2.514) 2.845 10.614 ( -1.570 11.689 -0.732) 11.817 11.660 ( 2.647 1.111 0.689) 2.953 11.822 ( 1.857 0.194 2.646) 3.238 11.965 ( -2.897 -1.491 -3.403) 4.712 12.225 ( -3.689 -1.219 -0.608) 3.933 12.690 ( 6.134 -2.190 -0.135) 6.514 12.844 ( -3.471 1.598 0.858) 3.916 13.071 ( 2.340 -0.362 -0.714) 2.473 13.238 ( -5.312 2.445 0.336) 5.857 13.366 ( 0.650 -1.328 0.333) 1.515 13.536 ( 0.404 -3.231 -2.377) 4.031 13.710 ( 3.071 0.881 3.954) 5.083 14.101 ( 2.598 2.557 2.524) 4.434 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -5.176 -4.721 -1.816) 7.237 2.523 ( 9.375 -12.397 -17.451) 23.369 3.090 ( -9.959 3.815 3.737) 11.300 3.327 ( -2.901 4.731 -4.526) 7.161 3.691 ( -1.132 0.668 2.079) 2.460 4.022 ( 1.719 1.493 8.349) 8.654 4.386 ( 2.410 -12.059 -8.507) 14.953 4.400 ( -5.390 -3.864 12.138) 13.831 4.555 ( 0.170 3.869 -10.428) 11.124 4.828 ( -3.716 -9.304 0.444) 10.029 5.142 ( -2.312 1.186 -10.705) 11.016 5.467 ( 0.740 7.030 2.187) 7.399 5.623 ( 1.328 7.231 -2.429) 7.742 5.827 ( -0.337 1.872 5.265) 5.598 5.974 ( -8.215 4.207 10.170) 13.733 6.056 ( -4.141 -6.214 -9.367) 11.979 6.132 ( 3.989 -4.109 -2.031) 6.076 6.448 ( -0.040 -1.046 -6.735) 6.816 6.718 ( 3.695 1.645 4.477) 6.033 6.897 ( 1.590 2.823 4.271) 5.361 7.017 ( 0.054 0.450 -2.848) 2.883 7.615 ( -0.000 -6.121 3.472) 7.038 8.119 ( -1.156 -2.133 -1.792) 3.015 8.210 ( 4.291 -3.919 0.548) 5.837 8.366 ( 2.201 6.280 0.268) 6.660 8.386 ( 0.945 4.810 2.776) 5.634 8.843 ( 6.407 -1.720 5.271) 8.473 9.647 ( -4.314 -8.167 -0.959) 9.286 9.980 ( 7.416 0.313 4.100) 8.480 10.144 ( 4.554 -2.125 -5.760) 7.644 10.282 ( -3.160 0.770 1.025) 3.411 10.316 ( -5.783 6.339 -3.612) 9.310 10.624 ( -7.324 7.291 -0.982) 10.381 11.717 ( 1.322 1.156 1.413) 2.254 11.857 ( 1.230 -2.785 -1.106) 3.239 11.902 ( -0.702 1.072 0.710) 1.464 12.170 ( -1.353 -0.117 -1.455) 1.991 12.697 ( -0.854 -3.974 -2.042) 4.549 12.846 ( 0.492 3.007 2.191) 3.752 13.106 ( 2.470 -0.538 -0.174) 2.534 13.196 ( -2.795 2.173 -0.117) 3.543 13.380 ( 1.251 -0.622 1.242) 1.870 13.514 ( 1.797 -2.814 -1.467) 3.647 13.779 ( 1.916 0.130 3.188) 3.722 14.149 ( -0.575 1.539 1.361) 2.133 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -6.324 -4.640 -4.658) 9.122 2.539 ( 3.033 -2.725 -4.322) 5.941 2.823 ( -10.065 -0.899 -6.271) 11.893 3.489 ( 3.857 10.180 9.548) 14.480 3.687 ( -1.103 -0.029 3.354) 3.531 4.067 ( -4.218 1.661 5.602) 7.206 4.159 ( -2.194 -14.195 -12.236) 18.869 4.329 ( -3.509 -3.619 2.716) 5.726 4.602 ( 3.630 6.954 -9.107) 12.019 4.715 ( -1.872 -7.941 4.851) 9.492 5.072 ( -2.092 0.918 -4.594) 5.130 5.544 ( -6.365 7.082 13.616) 16.615 5.699 ( -0.106 8.525 -2.297) 8.830 5.874 ( -2.070 0.233 -3.055) 3.697 5.886 ( 2.621 -3.965 2.970) 5.605 6.012 ( 4.155 -1.494 -2.803) 5.230 6.175 ( 4.405 -1.339 -1.748) 4.925 6.372 ( -0.565 -1.838 -7.173) 7.426 6.752 ( -1.860 1.548 -0.506) 2.472 6.976 ( 3.185 -0.066 1.940) 3.730 7.005 ( -0.113 -0.666 -0.925) 1.146 7.603 ( 1.475 -3.996 4.076) 5.896 8.079 ( -1.650 2.149 -0.779) 2.819 8.198 ( 0.647 -5.353 -0.222) 5.396 8.434 ( 1.787 2.435 0.642) 3.088 8.534 ( 3.993 4.981 3.400) 7.234 8.930 ( 2.168 -2.004 4.798) 5.633 9.523 ( -2.341 -3.927 -1.786) 4.908 10.106 ( -2.350 4.440 -1.551) 5.257 10.173 ( 7.198 -2.213 -2.954) 8.089 10.248 ( -0.246 1.289 1.043) 1.677 10.290 ( 0.741 -0.091 0.459) 0.876 10.525 ( -8.242 2.988 -0.245) 8.770 11.719 ( -1.054 -0.823 -0.502) 1.429 11.853 ( 1.405 0.426 -0.768) 1.657 11.936 ( 0.918 0.142 2.657) 2.815 12.151 ( -0.106 0.507 -1.997) 2.063 12.623 ( -2.738 -1.560 -0.592) 3.206 12.903 ( 2.031 0.973 1.115) 2.513 13.129 ( -0.651 0.481 1.484) 1.690 13.181 ( 0.969 0.057 -2.400) 2.589 13.401 ( 0.592 -0.041 0.690) 0.910 13.513 ( 0.872 -1.490 -0.501) 1.798 13.817 ( 0.636 0.117 1.568) 1.696 14.144 ( -0.828 0.508 -0.239) 1.000 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.000 0.000 40.058) 40.058 0.752 ( -0.000 -0.000 40.058) 40.058 1.230 ( -0.000 -0.000 65.528) 65.528 3.643 ( 0.000 0.000 -3.247) 3.247 3.643 ( -0.000 -0.000 -3.247) 3.247 3.912 ( 0.000 0.000 7.147) 7.147 3.912 ( -0.000 -0.000 7.147) 7.147 4.265 ( 0.000 0.000 -12.720) 12.720 4.491 ( 0.000 0.000 -0.056) 0.056 5.135 ( 0.000 0.000 3.175) 3.175 5.135 ( -0.000 0.000 3.175) 3.175 5.381 ( -0.000 -0.000 8.197) 8.197 5.417 ( 0.000 0.000 4.129) 4.129 5.417 ( -0.000 0.000 4.129) 4.129 6.364 ( 0.000 0.000 -0.605) 0.605 6.364 ( -0.000 0.000 -0.605) 0.605 6.634 ( 0.000 0.000 -6.889) 6.889 6.665 ( 0.000 0.000 -7.476) 7.476 6.665 ( 0.000 -0.000 -7.476) 7.476 6.831 ( -0.000 -0.000 0.078) 0.078 7.469 ( -0.000 -0.000 0.751) 0.751 7.670 ( 0.000 0.000 -2.432) 2.432 7.670 ( -0.000 0.000 -2.432) 2.432 7.753 ( 0.000 0.000 2.089) 2.089 7.753 ( -0.000 0.000 2.089) 2.089 8.917 ( 0.000 0.000 -8.807) 8.807 9.536 ( 0.000 0.000 1.572) 1.572 9.536 ( -0.000 -0.000 1.572) 1.572 9.892 ( 0.000 0.000 0.172) 0.172 9.892 ( -0.000 -0.000 0.172) 0.172 10.760 ( 0.000 0.000 -4.205) 4.205 11.067 ( -0.000 -0.000 8.247) 8.247 11.763 ( 0.000 0.000 -0.734) 0.734 11.782 ( 0.000 0.000 -0.462) 0.462 11.782 ( -0.000 -0.000 -0.462) 0.462 11.998 ( -0.000 -0.000 0.846) 0.846 12.230 ( -0.000 0.000 1.527) 1.527 12.230 ( -0.000 -0.000 1.527) 1.527 12.463 ( -0.000 -0.000 1.379) 1.379 13.042 ( -0.000 -0.000 1.319) 1.319 13.256 ( 0.000 0.000 -2.910) 2.910 13.256 ( 0.000 0.000 -2.910) 2.910 13.557 ( 0.000 0.000 -0.403) 0.403 13.594 ( 0.000 0.000 -1.759) 1.759 13.594 ( -0.000 0.000 -1.759) 1.759 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 8.779 2.913 32.139) 33.444 1.206 ( 7.797 12.642 37.026) 39.894 1.992 ( 29.555 13.236 49.687) 59.309 3.598 ( 2.562 -6.505 0.906) 7.050 3.691 ( -1.750 7.008 -2.237) 7.562 3.755 ( -7.912 -6.119 10.060) 14.186 4.001 ( -1.083 6.445 7.190) 9.717 4.149 ( -3.535 -1.243 -11.327) 11.931 4.410 ( 6.820 -5.575 9.500) 12.955 5.062 ( -6.385 -3.330 3.361) 7.947 5.229 ( -3.544 -1.910 4.099) 5.746 5.329 ( -5.290 8.096 4.513) 10.672 5.467 ( 0.274 5.430 4.041) 6.774 5.893 ( 27.567 -2.301 -7.980) 28.791 6.288 ( -4.664 0.489 -1.659) 4.974 6.394 ( -2.298 4.305 -4.769) 6.823 6.444 ( -7.911 -7.048 -8.854) 13.808 6.632 ( 1.807 -2.620 -8.680) 9.245 6.735 ( 5.337 8.461 -10.358) 14.400 6.826 ( -0.542 -1.329 -2.824) 3.168 7.236 ( -13.102 -8.602 0.171) 15.675 7.633 ( -2.687 2.868 -3.229) 5.086 7.757 ( 3.208 5.188 0.603) 6.129 7.873 ( 15.341 0.014 -1.878) 15.455 7.946 ( 7.841 7.793 0.599) 11.071 8.865 ( 0.589 0.858 -9.672) 9.727 9.497 ( -3.029 -1.509 2.795) 4.389 9.582 ( 1.080 0.038 3.799) 3.950 9.922 ( 0.964 2.052 0.314) 2.289 9.935 ( 2.535 1.573 -0.217) 2.992 10.019 ( -44.239 -22.077 24.118) 55.011 10.997 ( -5.974 -2.797 13.110) 14.676 11.321 ( -11.476 -7.825 10.117) 17.184 11.742 ( -1.763 -2.081 -0.003) 2.727 11.802 ( 1.234 -0.018 -0.498) 1.331 12.015 ( -2.333 -1.464 0.714) 2.845 12.215 ( -1.821 2.837 0.432) 3.399 12.273 ( 5.377 1.878 0.195) 5.699 12.946 ( 8.816 3.643 -9.983) 13.808 13.056 ( 0.246 0.561 0.128) 0.626 13.262 ( 2.492 1.294 -3.001) 4.110 13.274 ( 1.194 2.115 -1.993) 3.142 13.502 ( -2.235 -3.153 -1.567) 4.170 13.634 ( 4.684 -0.708 -2.019) 5.149 13.897 ( 19.389 10.536 -18.828) 29.008 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 15.062 6.587 22.188) 27.615 1.710 ( 10.303 16.001 30.676) 36.100 2.870 ( 26.477 9.670 31.359) 42.166 3.577 ( 1.015 -7.673 1.913) 7.973 3.683 ( -3.894 5.636 2.486) 7.288 3.727 ( 1.035 0.039 8.336) 8.400 3.977 ( -4.534 -0.242 -9.832) 10.829 4.170 ( 5.011 4.707 4.375) 8.148 4.528 ( 7.143 -3.523 -2.687) 8.405 4.953 ( -10.087 3.090 6.747) 12.523 5.141 ( -4.930 -4.185 6.952) 9.495 5.372 ( -0.878 4.787 8.525) 9.816 5.569 ( 4.429 2.586 2.745) 5.817 6.053 ( -1.344 -4.380 2.667) 5.301 6.155 ( -7.582 -7.861 -11.756) 16.046 6.299 ( -3.826 4.084 4.616) 7.254 6.374 ( 8.838 -2.653 -7.159) 11.679 6.548 ( -0.696 -4.625 -9.912) 10.960 6.668 ( -8.620 -1.589 -12.064) 14.912 6.841 ( 3.205 3.168 -5.840) 7.377 7.024 ( -4.680 -1.185 0.777) 4.890 7.581 ( -2.087 1.841 -7.747) 8.231 7.892 ( 5.363 5.098 1.454) 7.541 8.120 ( 12.050 4.136 -2.593) 13.001 8.126 ( 6.093 4.399 -0.445) 7.528 8.840 ( 0.908 2.632 -8.033) 8.502 9.284 ( -29.901 -10.284 19.782) 37.298 9.499 ( -1.248 -3.689 -0.750) 3.966 9.672 ( 2.982 2.045 4.413) 5.706 10.000 ( 3.080 3.507 -1.255) 4.833 10.047 ( 5.575 3.907 -0.228) 6.811 10.911 ( -9.074 -4.557 9.269) 13.749 11.101 ( -12.342 -10.668 9.905) 19.085 11.695 ( -0.797 -1.582 -1.087) 2.079 11.814 ( 1.382 -0.105 -2.228) 2.624 11.976 ( -1.646 -0.249 0.844) 1.866 12.209 ( -2.203 1.728 1.902) 3.385 12.401 ( 6.123 2.567 1.042) 6.720 12.977 ( 1.367 -0.118 -6.456) 6.600 13.057 ( -0.457 0.314 1.813) 1.896 13.286 ( 1.077 0.216 -2.179) 2.440 13.339 ( 3.350 4.660 -1.172) 5.858 13.418 ( -2.367 -2.971 -2.318) 4.450 13.695 ( 4.397 -0.003 -2.488) 5.052 14.073 ( 8.838 0.927 -13.194) 15.908 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 13.777 4.773 16.530) 22.042 2.219 ( 9.701 17.650 25.394) 32.411 3.125 ( -5.378 -13.351 4.031) 14.947 3.610 ( 0.990 3.392 -4.972) 6.099 3.775 ( 7.916 0.225 4.339) 9.030 3.834 ( -4.738 2.604 -2.921) 6.145 3.928 ( 8.211 5.141 13.975) 17.004 4.273 ( 2.316 -0.477 0.332) 2.388 4.557 ( 4.239 -2.319 -4.396) 6.532 4.846 ( -10.310 4.516 6.063) 12.785 5.126 ( -2.161 -1.074 12.619) 12.848 5.494 ( 6.783 1.302 -0.546) 6.928 5.695 ( 4.008 1.299 8.340) 9.344 5.906 ( -4.713 -5.260 -8.364) 10.947 5.969 ( -8.468 3.128 6.083) 10.885 6.238 ( -5.946 -2.356 -0.870) 6.455 6.333 ( -9.469 -5.796 -9.024) 14.307 6.419 ( -2.546 -7.528 1.283) 8.050 6.562 ( 10.037 -0.088 -8.082) 12.886 6.891 ( 3.707 1.989 -2.567) 4.929 7.006 ( -0.969 3.558 -2.350) 4.373 7.520 ( 0.045 1.943 -10.776) 10.950 8.032 ( 5.098 2.425 2.208) 6.062 8.199 ( -1.371 2.999 0.089) 3.299 8.317 ( 9.337 2.143 -3.416) 10.171 8.838 ( -8.895 1.869 2.292) 9.373 8.877 ( -9.623 -2.333 -0.161) 9.903 9.477 ( 0.185 -1.186 0.834) 1.461 9.826 ( 9.018 2.565 4.104) 10.235 10.078 ( 2.470 5.693 -2.742) 6.785 10.172 ( 4.731 3.507 -0.543) 5.914 10.698 ( -13.758 -8.805 4.798) 17.024 10.846 ( -11.569 -10.918 8.717) 18.139 11.678 ( 0.974 -0.849 -1.440) 1.935 11.825 ( 1.617 0.313 -2.296) 2.826 11.959 ( -1.424 0.641 0.676) 1.702 12.202 ( -2.172 1.083 3.669) 4.399 12.525 ( 4.941 1.457 1.437) 5.348 12.937 ( -0.877 -0.674 -4.740) 4.868 13.084 ( 1.283 1.149 1.954) 2.605 13.254 ( -2.101 -2.725 -1.982) 3.971 13.372 ( 0.640 0.192 -1.894) 2.008 13.438 ( 2.724 4.638 0.470) 5.399 13.748 ( 3.567 0.716 -3.098) 4.779 14.103 ( 4.089 -2.251 -7.141) 8.531 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 4.491 0.996 14.888) 15.583 2.599 ( -2.610 4.544 9.543) 10.887 2.870 ( -3.977 -6.477 11.249) 13.576 3.559 ( -2.794 0.144 -10.958) 11.310 3.704 ( -5.054 3.621 -9.839) 11.639 3.978 ( 8.029 -3.495 13.369) 15.981 4.031 ( 1.889 -4.198 -10.970) 11.897 4.332 ( -2.374 4.810 7.475) 9.200 4.568 ( 1.925 -4.126 0.305) 4.563 4.833 ( -4.530 6.794 10.912) 13.629 5.149 ( -3.194 -1.526 10.478) 11.060 5.485 ( -0.010 -5.754 -16.324) 17.308 5.792 ( -3.077 -4.189 -3.559) 6.300 5.861 ( 3.244 1.572 9.184) 9.866 5.916 ( -3.211 2.104 -4.785) 6.135 6.023 ( -3.046 -1.125 5.476) 6.367 6.215 ( -3.774 2.715 -0.773) 4.713 6.372 ( 1.559 -3.078 8.524) 9.196 6.684 ( 7.679 0.394 -3.908) 8.625 6.965 ( 3.971 -0.106 0.750) 4.043 6.986 ( -1.616 0.880 -4.169) 4.557 7.500 ( 2.525 2.545 -9.908) 10.537 8.120 ( 2.453 -1.575 2.270) 3.695 8.166 ( -3.763 1.981 1.017) 4.372 8.433 ( 3.901 2.498 -1.911) 5.011 8.615 ( -7.596 -1.706 -2.121) 8.069 8.904 ( 0.964 5.430 -3.254) 6.404 9.488 ( 0.839 -0.489 2.415) 2.603 10.049 ( 10.774 2.489 3.320) 11.545 10.169 ( 3.452 7.169 -3.073) 8.529 10.247 ( 0.990 1.179 -0.608) 1.655 10.387 ( -12.782 -10.089 2.567) 16.484 10.606 ( -10.099 -8.417 3.036) 13.492 11.688 ( 1.706 -0.617 -0.936) 2.041 11.847 ( 1.588 0.640 -1.243) 2.116 11.944 ( -1.463 1.119 -0.304) 1.866 12.202 ( -1.941 0.407 5.123) 5.493 12.592 ( 1.423 -0.699 0.008) 1.585 12.901 ( 0.262 0.270 -2.806) 2.831 13.128 ( 0.295 0.548 -0.710) 0.944 13.188 ( -0.213 -1.362 1.298) 1.894 13.391 ( 1.166 1.132 -0.833) 1.826 13.508 ( 0.672 2.007 1.434) 2.557 13.788 ( 2.291 1.113 -3.307) 4.174 14.108 ( 2.943 -1.151 -3.069) 4.405 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -13.371 -2.743 12.052) 18.209 2.260 ( -17.105 -19.639 2.605) 26.173 3.103 ( 4.343 9.834 15.390) 18.773 3.353 ( -9.054 -6.152 -18.940) 21.876 3.626 ( -1.906 3.560 -7.460) 8.483 3.932 ( -0.506 -1.100 -8.884) 8.966 4.119 ( 2.560 -5.794 9.154) 11.132 4.331 ( -3.135 -0.811 11.586) 12.030 4.580 ( 4.221 -2.595 -0.629) 4.995 4.910 ( -2.880 7.650 10.797) 13.542 5.042 ( -13.811 -6.469 -0.782) 15.271 5.250 ( -3.583 -5.504 -11.656) 13.379 5.698 ( 2.990 0.213 -2.775) 4.085 5.836 ( -1.154 -5.904 1.413) 6.180 5.963 ( 0.974 4.108 -1.885) 4.624 6.100 ( -1.257 4.268 -1.470) 4.686 6.290 ( 8.746 3.191 7.435) 11.914 6.500 ( 5.894 1.933 7.313) 9.589 6.774 ( 2.500 2.513 3.039) 4.669 6.945 ( 1.503 -1.412 -5.976) 6.322 7.028 ( 2.326 0.466 3.363) 4.115 7.519 ( 3.385 1.207 -7.322) 8.156 8.097 ( -4.025 1.458 -0.176) 4.285 8.177 ( 1.941 -1.374 2.485) 3.440 8.477 ( 0.054 1.078 -0.193) 1.096 8.506 ( -1.927 -1.125 -6.155) 6.547 8.938 ( -0.165 3.941 -2.549) 4.696 9.522 ( 0.901 0.215 3.876) 3.985 10.024 ( -11.894 -10.108 2.195) 15.762 10.245 ( -1.785 0.792 -0.142) 1.958 10.248 ( 0.078 -1.159 0.995) 1.530 10.354 ( 10.723 2.831 0.572) 11.106 10.438 ( -0.565 2.560 -4.669) 5.354 11.705 ( 1.263 -0.752 0.226) 1.487 11.864 ( 0.719 0.209 -2.406) 2.520 11.935 ( -0.850 1.694 0.371) 1.931 12.209 ( -1.301 0.014 5.421) 5.575 12.558 ( -2.402 -2.446 -1.991) 3.964 12.923 ( 2.647 1.187 -1.061) 3.088 13.084 ( -1.960 -1.019 -1.563) 2.706 13.253 ( 3.419 1.790 2.794) 4.765 13.411 ( 0.266 0.796 0.161) 0.855 13.514 ( -1.608 -0.692 1.524) 2.321 13.796 ( 0.125 -0.110 -2.791) 2.796 14.160 ( 4.282 1.981 -0.863) 4.797 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -24.275 -13.015 2.944) 27.701 1.858 ( -22.312 -14.544 12.673) 29.495 2.826 ( -27.514 -15.737 -12.526) 34.081 3.324 ( 4.360 4.866 5.755) 8.706 3.606 ( 0.990 2.015 -4.907) 5.396 3.916 ( 0.045 1.641 1.500) 2.223 4.050 ( -4.316 -6.568 1.476) 7.997 4.404 ( 1.619 -2.359 11.023) 11.388 4.604 ( -15.950 -7.526 -6.487) 18.792 4.682 ( 3.241 -0.243 2.019) 3.826 4.998 ( -2.157 8.571 3.015) 9.338 5.189 ( 3.722 -3.141 -0.086) 4.871 5.748 ( -1.350 -7.153 2.341) 7.647 5.823 ( 3.952 4.322 2.959) 6.562 5.989 ( 3.391 2.740 -10.583) 11.446 6.121 ( 4.035 6.229 -5.857) 9.454 6.515 ( 6.423 2.696 8.269) 10.813 6.668 ( 9.116 4.339 0.240) 10.099 6.850 ( -0.997 3.830 3.810) 5.494 6.920 ( 1.477 -4.289 -2.528) 5.193 7.129 ( 4.625 2.919 4.065) 6.814 7.548 ( 3.575 -0.090 -2.507) 4.367 8.006 ( -7.037 0.429 -2.799) 7.585 8.217 ( 1.397 -1.591 3.951) 4.482 8.399 ( -3.573 -1.781 -10.727) 11.446 8.479 ( -1.300 -0.005 3.780) 3.998 8.954 ( 0.420 2.349 -2.363) 3.359 9.559 ( -0.406 0.769 3.906) 4.001 9.756 ( -9.118 -8.199 0.554) 12.275 10.130 ( -5.851 -4.766 -0.271) 7.551 10.176 ( -4.948 -1.495 -0.452) 5.189 10.543 ( 8.142 4.774 -1.159) 9.509 10.646 ( 13.826 7.713 -0.050) 15.832 11.719 ( 0.872 -0.646 1.171) 1.597 11.844 ( -0.351 -0.219 -3.710) 3.733 11.953 ( -0.025 1.742 1.304) 2.176 12.224 ( -0.677 -0.103 4.412) 4.465 12.462 ( -3.837 -2.848 -2.489) 5.388 12.979 ( 2.925 0.277 -1.325) 3.223 13.051 ( -0.530 1.003 -0.143) 1.143 13.331 ( 1.458 1.475 1.319) 2.458 13.423 ( 0.895 -0.233 0.874) 1.272 13.469 ( -3.284 -1.151 1.387) 3.746 13.760 ( -1.505 -1.364 -2.130) 2.944 14.266 ( 5.539 2.933 -1.062) 6.357 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -26.317 -12.341 7.898) 30.121 1.351 ( -28.811 -13.518 10.608) 33.546 2.042 ( -36.886 -25.063 7.318) 45.191 3.432 ( 3.273 -0.528 3.393) 4.744 3.663 ( 1.738 6.955 2.778) 7.688 3.884 ( -6.873 -6.483 6.651) 11.554 3.952 ( -0.783 -0.710 -7.251) 7.328 4.189 ( -13.906 -5.644 -2.089) 15.152 4.424 ( -1.860 -4.024 3.227) 5.483 4.862 ( 8.724 2.568 6.952) 11.447 5.060 ( 1.237 4.308 2.711) 5.239 5.271 ( 4.261 2.175 1.450) 4.999 5.636 ( -8.989 -0.823 2.229) 9.297 5.868 ( 4.516 -2.839 -7.975) 9.594 6.106 ( 7.818 7.227 -3.085) 11.084 6.303 ( 12.606 6.073 -3.237) 14.362 6.634 ( 2.610 1.174 0.059) 2.863 6.804 ( 0.712 -2.959 -6.500) 7.178 6.892 ( -0.576 0.144 2.167) 2.247 6.933 ( 6.924 7.085 2.770) 10.286 7.208 ( 3.012 -0.977 -7.337) 7.991 7.628 ( 3.490 2.278 4.653) 6.246 7.847 ( -8.459 -0.068 -5.524) 10.104 8.168 ( -9.403 -2.522 -4.964) 10.929 8.219 ( -4.078 -6.382 -8.172) 11.142 8.572 ( 4.670 5.154 24.819) 25.775 8.966 ( 0.855 1.112 -3.261) 3.550 9.542 ( -2.966 -1.482 0.610) 3.371 9.620 ( -1.364 -2.161 2.034) 3.266 10.003 ( -4.565 -2.503 -0.958) 5.294 10.062 ( -5.659 -2.711 0.271) 6.281 10.711 ( 6.174 3.461 3.014) 7.693 10.957 ( 13.403 6.555 1.954) 15.048 11.737 ( 0.925 -0.279 1.072) 1.443 11.814 ( -0.298 -0.275 -2.750) 2.780 11.979 ( 0.487 1.408 0.888) 1.734 12.233 ( -0.736 -0.179 2.772) 2.873 12.353 ( -4.147 -2.449 -2.236) 5.310 12.994 ( 0.949 -0.373 -1.119) 1.514 13.089 ( 2.118 1.998 -0.771) 3.012 13.335 ( -2.008 0.798 0.054) 2.161 13.390 ( -3.121 -2.792 0.291) 4.198 13.473 ( 2.053 1.224 0.739) 2.502 13.701 ( -1.844 -2.245 -1.599) 3.316 14.357 ( 4.499 0.844 -6.976) 8.344 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -1.827 4.601 33.235) 33.601 1.506 ( 5.865 17.582 34.722) 39.359 2.265 ( -2.911 22.282 52.841) 57.421 3.536 ( -2.307 -6.725 -1.479) 7.262 3.743 ( 2.226 7.682 3.685) 8.806 3.871 ( -3.054 -3.132 2.850) 5.222 4.021 ( 5.050 1.207 1.867) 5.518 4.087 ( 2.262 -2.905 -6.002) 7.041 4.417 ( -6.469 0.091 8.154) 10.409 5.172 ( -4.424 -2.378 7.211) 8.788 5.281 ( 9.387 4.312 -3.005) 10.759 5.369 ( 11.636 -4.888 3.898) 13.209 5.428 ( 0.772 -0.455 5.729) 5.799 5.750 ( -17.664 10.767 0.932) 20.708 6.283 ( 1.388 -8.714 0.719) 8.853 6.373 ( 4.763 4.046 -12.568) 14.036 6.446 ( -6.851 -9.770 -8.132) 14.440 6.532 ( 5.259 0.858 -4.109) 6.729 6.685 ( 0.078 9.570 -7.289) 12.030 6.868 ( -0.030 5.798 -5.119) 7.734 7.268 ( -1.461 -13.616 -0.914) 13.724 7.621 ( 7.134 -0.361 -3.155) 7.808 7.689 ( -2.607 0.178 -0.987) 2.794 7.805 ( -3.027 7.942 -1.644) 8.657 8.017 ( 0.545 14.682 0.925) 14.722 8.790 ( 0.489 -0.062 -10.881) 10.892 9.515 ( -0.389 -1.607 1.556) 2.270 9.614 ( -0.098 2.429 4.502) 5.117 9.904 ( 0.629 -4.037 1.982) 4.542 9.914 ( 0.278 1.189 -0.231) 1.243 10.161 ( 3.150 -38.397 12.482) 40.497 11.071 ( 0.598 -7.139 11.463) 13.517 11.390 ( -0.370 -14.701 11.540) 18.693 11.764 ( -0.871 -1.694 0.727) 2.039 11.787 ( -1.136 -1.280 -0.029) 1.712 12.028 ( 0.126 -2.248 0.983) 2.457 12.198 ( 3.228 3.563 -2.630) 5.481 12.279 ( -0.887 1.812 2.867) 3.506 12.876 ( -1.422 10.414 -9.517) 14.179 13.063 ( 0.193 0.315 0.929) 1.000 13.252 ( 0.085 3.459 -3.269) 4.760 13.276 ( 1.246 4.742 -2.151) 5.354 13.501 ( -2.667 -2.271 -2.012) 4.040 13.602 ( -3.080 2.194 -2.792) 4.701 13.789 ( 0.824 17.915 -13.605) 22.510 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 6.324 9.205 25.518) 27.855 1.983 ( 5.039 19.714 31.375) 37.395 2.863 ( 12.424 14.794 38.785) 43.330 3.463 ( 2.189 -6.860 0.742) 7.238 3.776 ( -4.385 -2.360 3.043) 5.836 3.858 ( -2.603 7.498 3.650) 8.736 3.967 ( -0.561 -0.852 -6.536) 6.615 4.177 ( 2.863 5.141 -0.259) 5.890 4.451 ( 1.000 2.665 5.650) 6.327 5.148 ( -3.154 0.926 8.845) 9.436 5.258 ( -6.487 -1.053 6.184) 9.024 5.489 ( -3.577 -1.676 -5.466) 6.744 5.526 ( 4.895 -1.006 8.516) 9.873 5.780 ( 14.841 4.031 1.341) 15.437 6.114 ( -6.716 -11.437 -7.727) 15.350 6.293 ( 0.177 -4.865 1.741) 5.170 6.366 ( 4.643 -5.529 -15.121) 16.757 6.520 ( -7.607 5.610 1.438) 9.560 6.774 ( -0.681 6.002 -8.816) 10.686 6.800 ( -6.163 2.674 -7.049) 9.738 7.058 ( -3.412 -6.480 -1.222) 7.425 7.604 ( -4.426 1.415 -7.362) 8.706 7.817 ( 15.036 0.799 -4.275) 15.653 7.907 ( 4.260 7.376 1.351) 8.624 8.174 ( 2.126 10.843 -0.596) 11.065 8.766 ( 3.562 1.108 -9.200) 9.927 9.493 ( -1.836 -2.981 1.622) 3.858 9.601 ( -11.025 -16.003 12.638) 23.182 9.712 ( -3.986 -8.729 4.451) 10.578 9.977 ( 3.703 3.982 -0.133) 5.439 10.032 ( 0.808 4.006 -0.282) 4.096 11.022 ( -4.716 -8.827 7.999) 12.812 11.234 ( -9.169 -15.640 13.912) 22.852 11.710 ( -2.539 -1.382 -1.306) 3.172 11.763 ( 0.924 -1.644 -1.054) 2.161 12.009 ( -1.335 0.127 1.054) 1.706 12.280 ( -0.683 0.691 2.371) 2.562 12.327 ( 5.302 4.612 -0.068) 7.027 12.901 ( 2.172 2.111 -7.182) 7.794 13.072 ( -0.029 0.210 0.682) 0.714 13.284 ( 0.275 4.283 -2.759) 5.102 13.347 ( 1.354 5.994 0.005) 6.145 13.399 ( -2.144 -2.752 -3.759) 5.128 13.609 ( 2.942 0.743 -2.821) 4.143 13.902 ( 5.541 7.281 -11.661) 14.823 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 9.392 9.742 19.791) 23.975 2.450 ( 5.958 19.105 28.406) 34.748 3.107 ( -3.148 -11.815 7.118) 14.148 3.568 ( 4.343 2.977 4.913) 7.201 3.733 ( 0.239 0.984 -2.032) 2.270 3.895 ( 3.146 -0.549 0.734) 3.276 3.947 ( -3.522 4.903 2.780) 6.646 4.297 ( 3.269 9.280 2.340) 10.114 4.507 ( 0.716 1.145 5.946) 6.097 5.110 ( -10.673 4.184 5.258) 12.613 5.242 ( -1.723 1.875 11.597) 11.874 5.371 ( 1.167 -6.234 -7.854) 10.094 5.688 ( 5.162 0.422 11.469) 12.584 5.863 ( -4.535 -9.361 -4.322) 11.264 6.045 ( 8.776 3.142 -0.276) 9.326 6.233 ( -2.778 -6.546 -11.307) 13.357 6.296 ( 3.322 -4.835 1.790) 6.133 6.452 ( -8.204 2.926 5.609) 10.360 6.503 ( -8.299 -3.310 -8.376) 12.247 6.852 ( 2.121 4.076 -4.469) 6.409 7.010 ( 0.279 0.515 -6.462) 6.488 7.508 ( -3.062 3.974 -9.529) 10.769 7.991 ( 5.742 2.893 -0.838) 6.484 8.103 ( 11.388 2.738 -1.462) 11.804 8.265 ( 0.475 5.724 -2.668) 6.333 8.814 ( 5.068 3.100 -6.251) 8.624 9.137 ( -18.362 -18.453 6.857) 26.920 9.514 ( -2.365 2.954 3.407) 5.092 9.755 ( 4.286 1.808 3.181) 5.635 10.073 ( 2.624 5.402 -2.080) 6.356 10.132 ( 4.776 5.358 -0.865) 7.229 10.822 ( -10.736 -13.813 4.305) 18.016 10.986 ( -11.288 -14.474 12.095) 21.982 11.661 ( -0.702 -0.058 -2.565) 2.660 11.774 ( 2.246 -0.898 -0.330) 2.441 11.999 ( -1.515 0.925 1.064) 2.070 12.275 ( -2.094 0.058 3.963) 4.483 12.468 ( 5.409 3.909 0.849) 6.727 12.895 ( 0.788 0.167 -6.140) 6.193 13.084 ( 0.826 0.292 1.260) 1.534 13.260 ( -3.203 -1.375 -2.220) 4.133 13.346 ( 1.313 0.690 -2.076) 2.552 13.460 ( 2.062 6.504 1.114) 6.914 13.660 ( 4.617 0.466 -3.724) 5.950 13.967 ( 4.799 1.514 -7.816) 9.296 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 6.947 7.516 17.537) 20.304 2.773 ( -8.313 -4.028 8.535) 12.577 2.974 ( 2.234 5.003 20.243) 20.972 3.529 ( -3.525 -3.546 -8.436) 9.807 3.724 ( -2.612 4.252 -13.095) 14.014 3.851 ( 1.776 -5.821 -12.046) 13.496 4.022 ( 0.142 1.892 17.629) 17.731 4.435 ( 2.324 6.388 -3.822) 7.799 4.630 ( -2.139 4.929 18.608) 19.368 5.024 ( -6.961 5.081 4.296) 9.630 5.264 ( -2.458 -5.423 6.243) 8.627 5.305 ( 1.323 -1.953 -8.747) 9.059 5.746 ( 0.380 -4.871 -3.730) 6.147 5.805 ( 5.481 -4.184 4.137) 8.041 5.958 ( -8.760 -6.633 -3.004) 11.391 6.154 ( -4.016 4.095 3.319) 6.626 6.296 ( -1.984 1.363 -1.865) 3.045 6.398 ( -1.835 -2.420 12.687) 13.045 6.515 ( 9.712 2.751 -3.600) 10.716 6.901 ( 3.073 2.257 -3.274) 5.025 6.954 ( 0.231 -2.572 -8.950) 9.315 7.477 ( -0.854 6.689 -7.221) 9.880 8.083 ( 3.114 0.403 1.406) 3.440 8.218 ( 0.729 0.492 -0.974) 1.312 8.344 ( 6.611 4.064 -2.769) 8.239 8.744 ( -13.615 -10.224 -0.033) 17.027 8.897 ( 3.992 4.127 -5.298) 7.813 9.535 ( -2.140 4.546 3.981) 6.410 9.908 ( 9.426 1.304 3.049) 9.992 10.152 ( 3.036 5.597 -4.416) 7.749 10.243 ( 2.361 4.281 -0.653) 4.932 10.491 ( -12.398 -15.831 3.478) 20.407 10.730 ( -11.519 -10.660 6.084) 16.833 11.653 ( 1.086 0.573 -2.351) 2.652 11.811 ( 2.226 0.019 0.504) 2.283 11.985 ( -1.645 0.836 0.504) 1.913 12.263 ( -1.697 -1.549 4.887) 5.400 12.573 ( 1.914 3.103 0.232) 3.654 12.868 ( 0.636 -0.401 -4.112) 4.180 13.120 ( 1.399 0.946 0.111) 1.692 13.182 ( -1.386 -2.815 -0.097) 3.139 13.376 ( 1.457 1.621 -0.744) 2.303 13.541 ( 0.223 3.556 2.131) 4.152 13.720 ( 4.327 1.153 -4.314) 6.218 14.013 ( 4.225 0.738 -4.345) 6.105 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -6.219 -5.223 16.101) 18.033 2.469 ( -15.314 -5.405 7.737) 17.989 3.250 ( -2.725 4.761 8.254) 9.911 3.360 ( -3.646 1.458 -2.187) 4.495 3.559 ( -1.028 -1.600 -19.866) 19.957 3.818 ( 4.469 -0.599 -9.584) 10.592 4.166 ( 0.714 0.010 20.681) 20.694 4.469 ( -1.183 3.226 -3.078) 4.613 4.643 ( -10.685 4.315 13.216) 17.534 5.026 ( -0.871 0.617 0.329) 1.117 5.148 ( -2.465 -4.727 -12.887) 13.946 5.206 ( -7.391 -5.902 8.257) 12.555 5.659 ( 0.968 -0.113 -4.116) 4.230 5.767 ( -3.591 -9.155 -1.981) 10.031 5.955 ( 5.945 -0.679 3.441) 6.902 6.147 ( -0.223 2.664 3.672) 4.542 6.268 ( -1.843 1.877 1.642) 3.101 6.488 ( 2.474 2.037 6.727) 7.451 6.698 ( 9.076 2.816 -0.330) 9.508 6.879 ( 0.805 -2.490 -6.467) 6.976 6.973 ( 5.085 0.456 -0.269) 5.112 7.501 ( -0.391 6.884 -4.078) 8.011 8.127 ( 1.193 -0.132 2.736) 2.988 8.216 ( -1.864 2.360 0.440) 3.039 8.456 ( 4.222 0.751 -0.725) 4.349 8.489 ( -5.761 -5.857 -4.574) 9.403 8.951 ( 1.744 3.502 -5.364) 6.639 9.577 ( -1.784 5.078 4.738) 7.171 10.079 ( -0.592 -8.150 2.516) 8.550 10.160 ( 3.228 -4.059 1.673) 5.449 10.258 ( 3.137 3.983 -3.054) 5.919 10.306 ( -2.105 1.383 -0.097) 2.521 10.488 ( -8.600 -5.066 -0.158) 9.983 11.672 ( 1.679 0.431 -1.409) 2.234 11.842 ( 0.763 0.749 -0.948) 1.429 11.973 ( -0.958 0.568 1.060) 1.537 12.250 ( -0.840 -2.908 5.047) 5.885 12.579 ( -2.878 1.506 -2.138) 3.889 12.879 ( 2.674 0.173 -1.151) 2.916 13.097 ( -1.863 -0.895 -0.977) 2.286 13.216 ( 4.010 0.401 1.816) 4.420 13.407 ( 0.930 0.515 0.122) 1.070 13.562 ( -1.779 0.888 2.750) 3.393 13.762 ( 2.024 1.339 -4.448) 5.067 14.078 ( 4.903 1.521 -3.045) 5.969 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -20.976 -13.135 11.110) 27.129 2.279 ( -22.762 -1.857 13.184) 26.370 3.004 ( -13.136 -4.630 -13.823) 19.623 3.411 ( -3.847 0.284 5.207) 6.481 3.510 ( 3.639 3.809 -5.342) 7.502 3.847 ( 4.674 -0.322 -5.763) 7.427 4.229 ( -8.487 -0.262 15.046) 17.277 4.446 ( -1.515 0.085 2.968) 3.334 4.647 ( -1.908 2.971 12.825) 13.302 4.793 ( -11.163 -6.249 -11.655) 17.306 5.063 ( -5.170 -5.735 2.552) 8.132 5.183 ( 3.298 5.681 3.441) 7.416 5.626 ( 0.388 -9.682 -2.141) 9.924 5.770 ( 8.583 3.337 3.462) 9.838 5.975 ( -1.155 1.430 -3.606) 4.047 6.155 ( -4.541 5.697 -5.111) 8.899 6.384 ( 12.096 -5.607 8.006) 15.551 6.570 ( 4.128 3.180 -2.636) 5.839 6.789 ( 4.890 -3.575 -8.728) 10.624 6.903 ( 1.902 2.893 3.604) 4.998 7.079 ( 5.308 1.035 1.681) 5.663 7.548 ( 0.158 6.217 0.281) 6.226 8.127 ( -5.652 2.218 -1.054) 6.162 8.228 ( 0.923 0.580 6.226) 6.320 8.364 ( -1.890 -1.723 -6.843) 7.305 8.493 ( 1.796 -2.009 2.288) 3.535 8.963 ( -0.139 2.858 -4.360) 5.215 9.620 ( -1.934 3.723 3.936) 5.753 9.824 ( -9.516 -11.021 0.776) 14.581 10.201 ( -6.677 -3.228 1.330) 7.535 10.265 ( -5.494 0.661 0.509) 5.557 10.386 ( 13.710 1.051 1.885) 13.879 10.494 ( 9.572 5.729 -4.408) 11.995 11.695 ( 1.456 -0.116 -0.253) 1.483 11.834 ( -0.813 1.118 -3.463) 3.728 11.979 ( -0.134 0.128 2.121) 2.129 12.243 ( 0.177 -3.236 4.224) 5.324 12.505 ( -4.836 0.680 -2.332) 5.412 12.931 ( 2.973 0.901 -0.497) 3.146 13.062 ( -0.938 -0.259 -0.109) 0.979 13.303 ( 4.230 0.786 0.719) 4.362 13.412 ( -0.224 -1.267 0.534) 1.393 13.540 ( -3.368 0.048 2.771) 4.361 13.755 ( -0.779 0.888 -4.239) 4.401 14.163 ( 5.961 1.255 -4.449) 7.544 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -25.058 -8.475 10.063) 28.302 1.848 ( -29.207 -6.724 11.287) 32.026 2.574 ( -31.281 -2.370 10.269) 33.009 3.381 ( 1.112 -1.496 0.197) 1.874 3.621 ( 6.349 2.182 0.247) 6.718 3.868 ( 2.474 -3.615 -3.187) 5.417 4.135 ( -10.929 3.758 11.228) 16.113 4.343 ( -9.339 -1.447 -13.231) 16.260 4.494 ( -10.822 -5.671 8.071) 14.643 4.829 ( 5.232 2.764 13.051) 14.329 4.988 ( 2.926 -6.530 4.169) 8.282 5.344 ( 2.875 11.229 2.092) 11.779 5.564 ( 5.063 -11.417 -1.419) 12.570 5.884 ( -5.933 1.795 -1.289) 6.331 6.026 ( 9.038 6.712 2.202) 11.471 6.166 ( 5.064 8.286 -10.614) 14.386 6.514 ( 6.753 -8.689 3.293) 11.487 6.675 ( 6.480 -0.012 -8.824) 10.948 6.806 ( 9.416 -2.120 -3.300) 10.201 6.940 ( -1.215 0.821 -0.400) 1.520 7.135 ( 0.120 -0.064 -3.359) 3.362 7.634 ( 2.063 4.286 2.888) 5.565 8.007 ( -8.679 1.828 -0.903) 8.916 8.193 ( -6.392 -2.741 -9.669) 11.910 8.292 ( -4.821 0.307 2.600) 5.486 8.627 ( 9.681 3.559 18.202) 20.921 8.953 ( -0.490 1.907 -4.392) 4.813 9.581 ( -5.305 -5.035 -0.752) 7.352 9.652 ( -2.784 -0.199 2.965) 4.072 10.079 ( -5.991 -0.153 -0.280) 6.000 10.155 ( -7.235 -0.839 0.343) 7.292 10.626 ( 10.140 1.727 5.446) 11.638 10.752 ( 16.416 3.016 0.141) 16.691 11.714 ( 1.228 -0.762 0.156) 1.453 11.809 ( -0.739 1.624 -3.649) 4.061 11.987 ( 0.019 -0.694 1.545) 1.693 12.242 ( 0.447 -2.782 2.807) 3.977 12.417 ( -5.304 1.269 -1.234) 5.592 12.972 ( 1.167 1.393 -1.301) 2.235 13.066 ( 1.375 -0.078 0.158) 1.386 13.368 ( 1.076 1.697 -0.441) 2.057 13.384 ( 0.100 -3.511 0.358) 3.531 13.488 ( -3.610 -0.687 0.821) 3.765 13.709 ( -2.363 0.646 -3.613) 4.365 14.226 ( 4.811 0.167 -8.823) 10.051 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -8.856 8.388 29.888) 32.281 1.804 ( 0.556 13.963 31.778) 34.715 2.954 ( -15.270 20.265 37.116) 44.961 3.513 ( -4.050 -6.571 -1.763) 7.918 3.767 ( 7.621 -3.309 1.677) 8.476 3.828 ( 1.389 8.482 6.695) 10.895 3.950 ( 2.838 -2.836 -7.545) 8.545 4.146 ( -5.510 6.728 8.590) 12.224 4.556 ( -2.620 4.588 -3.171) 6.162 4.989 ( 11.485 -4.892 -1.554) 12.580 5.235 ( 0.627 -2.305 9.611) 9.904 5.359 ( -1.164 -0.155 7.687) 7.776 5.523 ( -4.582 0.054 7.935) 9.163 6.092 ( 3.589 -5.166 -3.099) 7.012 6.114 ( -11.988 -4.034 -0.743) 12.670 6.222 ( 6.560 -7.256 -6.006) 11.478 6.398 ( -4.580 -2.714 -8.749) 10.241 6.486 ( 0.861 10.077 -6.215) 11.870 6.711 ( 5.921 7.689 -8.506) 12.905 6.836 ( 3.970 3.028 -5.504) 7.432 7.060 ( 5.853 -10.265 -0.867) 11.848 7.551 ( 2.477 1.294 -6.296) 6.888 7.785 ( -8.576 0.791 2.526) 8.975 7.953 ( -8.179 4.191 -2.946) 9.651 8.168 ( -2.173 12.083 -1.117) 12.327 8.732 ( -1.996 -1.023 -9.751) 10.006 9.464 ( 9.675 -18.454 11.820) 23.955 9.586 ( 10.654 -15.133 3.882) 18.910 9.684 ( -1.477 2.708 5.520) 6.323 9.961 ( -1.594 2.486 -1.190) 3.184 10.003 ( -2.023 3.584 -0.311) 4.127 11.011 ( 4.811 -9.007 9.030) 13.631 11.273 ( 6.849 -11.697 10.688) 17.262 11.727 ( 1.883 -1.581 -1.117) 2.701 11.795 ( -0.730 -0.555 -0.169) 0.933 11.991 ( 1.647 -1.455 0.774) 2.330 12.194 ( 0.443 0.992 -0.158) 1.098 12.371 ( -4.518 4.323 2.385) 6.692 12.924 ( -2.267 2.242 -7.048) 7.736 13.065 ( 0.221 -0.523 1.535) 1.637 13.267 ( -0.980 1.844 -1.898) 2.821 13.305 ( -0.426 4.965 -1.332) 5.158 13.456 ( 3.213 -1.890 -2.042) 4.250 13.668 ( -3.150 2.209 -3.490) 5.195 13.954 ( -8.659 12.321 -14.003) 20.564 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -2.066 10.061 25.438) 27.433 2.238 ( 7.246 17.170 28.373) 33.946 3.138 ( -4.124 3.528 20.800) 21.497 3.457 ( -1.660 5.561 13.233) 14.450 3.801 ( 0.218 -4.280 0.886) 4.376 3.860 ( 0.913 -4.273 -6.348) 7.706 4.015 ( 0.213 11.812 2.977) 12.183 4.202 ( -0.016 5.941 2.098) 6.301 4.549 ( -2.245 3.783 3.778) 5.799 5.120 ( 9.332 -5.147 -7.914) 13.274 5.320 ( 4.105 1.586 9.537) 10.503 5.377 ( -3.132 2.050 6.585) 7.575 5.575 ( 2.151 2.761 11.369) 11.895 5.891 ( -10.648 0.621 2.600) 10.978 6.035 ( -0.735 -13.945 -2.607) 14.206 6.168 ( -1.005 -2.077 -17.177) 17.331 6.215 ( 2.855 -7.804 2.402) 8.651 6.628 ( 0.232 9.680 -4.337) 10.610 6.780 ( -0.037 6.883 -5.930) 9.086 6.878 ( 0.068 4.452 -10.254) 11.179 6.999 ( 0.378 -11.005 -1.432) 11.104 7.584 ( 6.035 2.972 -7.248) 9.889 7.681 ( -5.369 -0.956 2.473) 5.988 7.945 ( 1.039 8.580 -2.371) 8.962 8.246 ( -0.049 8.626 -1.857) 8.824 8.658 ( 1.703 -1.081 -8.512) 8.748 9.423 ( 3.168 -28.638 10.582) 30.694 9.595 ( 0.681 -1.762 2.150) 2.861 9.729 ( -0.807 3.308 3.963) 5.225 9.976 ( 0.832 4.204 0.158) 4.289 10.033 ( 1.593 3.326 -2.072) 4.230 11.001 ( 0.103 -12.186 6.930) 14.019 11.241 ( -1.584 -18.154 12.276) 21.972 11.685 ( -0.674 -3.677 -2.907) 4.736 11.780 ( -1.574 -0.235 0.989) 1.874 12.017 ( 1.342 0.056 0.989) 1.668 12.255 ( 3.235 4.335 -1.083) 5.516 12.367 ( -1.888 3.047 3.402) 4.942 12.877 ( -0.860 2.025 -5.582) 6.000 13.072 ( 0.312 -0.487 0.704) 0.911 13.287 ( 1.318 2.956 -1.728) 3.669 13.374 ( 2.208 6.715 -0.581) 7.093 13.441 ( -2.867 -0.690 -2.539) 3.892 13.594 ( -2.752 1.145 -3.457) 4.564 13.888 ( -2.588 9.081 -11.030) 14.520 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 4.099 11.295 20.840) 24.056 2.680 ( 6.693 16.292 23.990) 29.761 3.075 ( -2.970 -12.855 3.631) 13.684 3.603 ( -0.983 0.858 0.112) 1.309 3.732 ( -1.708 -2.019 -4.543) 5.257 3.887 ( 0.816 5.291 14.863) 15.798 4.088 ( -3.910 6.185 2.941) 7.886 4.292 ( 4.542 6.907 -7.312) 11.036 4.612 ( -0.004 4.447 14.577) 15.240 5.145 ( 6.076 -4.379 -11.266) 13.529 5.301 ( -5.687 -0.570 4.610) 7.343 5.467 ( -5.880 6.283 10.395) 13.494 5.682 ( 0.740 0.416 2.170) 2.330 5.813 ( -3.615 -12.240 -2.196) 12.950 5.917 ( 8.397 3.109 6.376) 10.992 6.128 ( 4.345 0.633 -7.075) 8.327 6.212 ( 2.058 -5.968 3.993) 7.470 6.554 ( -7.098 -1.575 -7.791) 10.657 6.715 ( -13.903 -0.156 2.031) 14.052 6.830 ( 1.999 4.958 -6.120) 8.126 6.938 ( 1.328 0.036 -10.536) 10.619 7.577 ( -4.712 2.786 -1.442) 5.661 7.785 ( 14.420 2.420 -6.703) 16.085 8.057 ( 3.056 6.743 0.494) 7.420 8.291 ( -0.192 4.259 -3.727) 5.663 8.673 ( 6.557 -1.597 -5.829) 8.917 9.170 ( -6.401 -25.543 6.224) 27.058 9.625 ( -2.064 7.223 1.735) 7.710 9.761 ( -0.474 2.201 2.967) 3.724 10.072 ( 2.409 5.225 -0.524) 5.777 10.096 ( 4.666 5.185 -2.419) 7.383 10.848 ( -6.619 -16.416 4.616) 18.292 11.049 ( -6.383 -19.531 11.344) 23.471 11.638 ( 0.505 -1.254 -3.654) 3.896 11.764 ( -0.642 -0.031 2.163) 2.257 12.032 ( -0.696 0.715 0.452) 1.096 12.307 ( -0.534 0.686 0.790) 1.174 12.445 ( 4.133 4.846 3.150) 7.106 12.861 ( 0.187 1.609 -4.715) 4.985 13.076 ( 0.624 -0.587 0.547) 1.016 13.305 ( -3.018 -1.176 -3.173) 4.534 13.345 ( -2.525 4.171 -1.896) 5.231 13.490 ( 3.214 6.009 0.938) 6.879 13.588 ( 1.671 0.912 -2.290) 2.977 13.893 ( 1.991 4.323 -7.008) 8.471 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 5.880 10.138 18.289) 21.722 2.859 ( -6.535 -12.512 5.569) 15.174 3.101 ( 7.148 11.460 17.359) 21.995 3.469 ( -2.702 -8.191 -9.680) 12.966 3.689 ( 1.905 0.411 -8.629) 8.847 3.870 ( -12.418 4.519 -8.437) 15.679 4.180 ( -0.950 2.309 23.886) 24.016 4.377 ( 5.404 4.323 -8.281) 10.792 4.819 ( 2.399 6.446 20.176) 21.316 5.086 ( 2.311 -4.810 -14.314) 15.276 5.213 ( -7.406 2.507 -2.072) 8.089 5.431 ( -6.866 -0.413 6.245) 9.291 5.649 ( 0.162 -2.652 -9.582) 9.944 5.711 ( 2.107 -6.318 7.761) 10.227 6.035 ( -7.521 -8.068 3.741) 11.647 6.202 ( 7.544 6.675 0.816) 10.106 6.304 ( 4.718 4.128 7.846) 10.043 6.416 ( -0.180 -0.599 -0.157) 0.645 6.529 ( -8.589 -1.565 1.947) 8.944 6.828 ( 2.152 -3.316 -10.515) 11.234 6.894 ( -1.098 5.210 -7.807) 9.450 7.552 ( -2.841 6.167 -0.717) 6.828 7.984 ( 10.343 1.350 -4.425) 11.330 8.168 ( 3.317 2.321 1.157) 4.211 8.303 ( 1.520 3.454 -3.116) 4.894 8.732 ( 4.769 -6.784 -4.555) 9.461 8.855 ( -6.967 -11.725 -0.953) 13.673 9.678 ( -3.239 10.079 1.879) 10.752 9.823 ( 4.151 1.221 3.390) 5.497 10.126 ( 1.891 3.795 -5.153) 6.673 10.238 ( 4.038 6.249 0.054) 7.440 10.545 ( -10.702 -18.062 4.355) 21.442 10.820 ( -7.938 -14.883 6.888) 18.220 11.628 ( 0.983 0.621 -2.895) 3.120 11.791 ( 1.561 0.171 3.365) 3.713 12.015 ( -1.550 0.110 -0.915) 1.803 12.287 ( -1.537 -2.132 1.996) 3.301 12.585 ( 3.482 5.122 2.849) 6.817 12.841 ( -0.702 0.702 -4.131) 4.249 13.096 ( 2.009 -0.108 0.315) 2.036 13.199 ( -4.123 -1.207 -1.596) 4.583 13.369 ( 0.828 1.892 -0.663) 2.169 13.585 ( 0.172 3.597 1.468) 3.889 13.624 ( 4.784 0.862 -3.336) 5.896 13.950 ( 3.347 3.877 -2.932) 5.902 ======================= Grid point 116 (57/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -2.596 -1.449 16.031) 16.304 2.669 ( -6.514 -3.184 10.034) 12.379 3.222 ( 1.759 -8.010 -13.209) 15.548 3.414 ( -3.924 1.219 -5.354) 6.749 3.613 ( -4.055 2.280 5.559) 7.249 3.718 ( -0.430 6.995 -7.736) 10.439 4.315 ( -1.867 0.185 23.919) 23.993 4.447 ( 3.229 3.316 -7.386) 8.717 4.955 ( -1.255 -7.141 -11.497) 13.593 4.962 ( -5.664 6.321 10.226) 13.289 5.116 ( -2.805 1.457 -3.199) 4.497 5.295 ( -6.244 -6.100 -0.485) 8.742 5.596 ( -0.114 0.032 -2.836) 2.838 5.781 ( 1.294 -8.396 1.187) 8.578 5.858 ( -1.599 -1.597 11.416) 11.637 6.248 ( -7.065 0.218 -0.859) 7.121 6.336 ( -2.647 1.427 0.187) 3.013 6.522 ( 2.619 4.275 1.814) 5.332 6.549 ( 8.748 -0.467 -0.854) 8.802 6.788 ( 3.826 -1.217 -1.824) 4.410 6.908 ( 2.125 3.373 -3.661) 5.412 7.578 ( -1.550 7.250 -1.304) 7.528 8.109 ( 4.503 1.615 1.976) 5.176 8.223 ( 2.559 0.622 0.555) 2.692 8.380 ( 4.190 1.265 -0.972) 4.483 8.504 ( -7.918 -10.943 -4.273) 14.167 8.862 ( 6.817 0.772 -5.947) 9.080 9.727 ( -4.037 9.908 1.905) 10.867 9.959 ( 7.422 -0.803 4.547) 8.741 10.125 ( -1.426 -6.007 -2.525) 6.670 10.236 ( -2.786 -3.358 -2.259) 4.913 10.366 ( -1.407 3.484 1.398) 4.009 10.584 ( -8.867 -9.760 2.988) 13.521 11.645 ( 1.424 1.511 -1.677) 2.669 11.842 ( 0.993 1.042 2.276) 2.693 11.981 ( -0.592 -1.278 -1.182) 1.838 12.248 ( -0.974 -3.845 2.210) 4.540 12.659 ( -2.812 4.862 0.291) 5.624 12.825 ( 2.184 -0.727 -1.426) 2.708 13.124 ( -1.998 0.761 -0.830) 2.293 13.154 ( 3.254 -1.537 1.207) 3.796 13.394 ( 1.090 0.352 -0.082) 1.149 13.599 ( -0.113 -0.218 0.623) 0.669 13.703 ( 3.637 2.627 -2.532) 5.152 14.025 ( 2.404 3.735 -1.510) 4.692 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -16.238 -9.339 13.379) 23.020 2.659 ( -12.828 0.064 10.403) 16.516 3.032 ( -6.502 -4.485 -13.700) 15.814 3.251 ( 5.538 -1.519 -11.303) 12.678 3.719 ( 3.178 -0.651 2.541) 4.121 3.772 ( -6.012 10.405 8.054) 14.466 4.408 ( -3.724 -1.546 17.071) 17.540 4.444 ( 1.052 1.154 -6.668) 6.849 4.734 ( -3.849 -7.433 -17.244) 19.169 4.938 ( -9.673 2.703 13.477) 16.808 5.136 ( -3.237 -2.015 7.783) 8.667 5.151 ( -0.057 -0.426 -1.178) 1.254 5.543 ( -1.364 -4.337 -4.573) 6.449 5.760 ( 2.132 3.324 7.596) 8.561 5.955 ( 2.131 -1.304 -0.368) 2.525 6.154 ( 3.680 -4.626 0.395) 5.925 6.295 ( -3.741 -0.752 1.516) 4.106 6.562 ( 1.366 4.601 -14.964) 15.715 6.601 ( 3.616 -3.549 -0.524) 5.094 6.905 ( 3.652 3.095 4.081) 6.291 6.998 ( 6.345 0.802 1.688) 6.614 7.616 ( -0.582 6.087 -1.459) 6.287 8.202 ( -0.818 2.581 0.985) 2.881 8.246 ( -1.026 -4.027 3.223) 5.259 8.346 ( 1.740 1.885 -1.281) 2.867 8.419 ( 3.215 -3.865 -0.678) 5.073 8.941 ( 3.393 2.480 -3.468) 5.449 9.742 ( -5.022 4.588 1.829) 7.044 9.874 ( -7.510 -8.696 0.644) 11.508 10.182 ( 10.257 -0.158 2.736) 10.617 10.261 ( 2.393 -0.296 -0.471) 2.457 10.347 ( -2.566 1.557 -0.917) 3.138 10.426 ( -3.207 0.270 -0.756) 3.306 11.677 ( 1.112 1.447 -0.291) 1.848 11.848 ( -1.440 1.659 -3.053) 3.761 11.974 ( 1.252 -2.102 2.145) 3.254 12.215 ( 0.364 -4.166 1.888) 4.588 12.606 ( -6.046 2.683 -0.854) 6.669 12.879 ( 3.948 0.284 0.166) 3.962 13.090 ( -2.213 0.371 0.768) 2.371 13.221 ( 5.004 -0.922 -0.619) 5.126 13.407 ( 0.297 -0.634 0.346) 0.781 13.589 ( -1.018 -1.334 1.092) 2.002 13.751 ( 0.683 2.915 -2.907) 4.173 14.081 ( 2.314 2.415 -2.751) 4.331 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -21.543 -5.226 8.111) 23.605 2.313 ( -25.815 -5.454 9.079) 27.904 2.922 ( -1.766 1.690 -2.080) 3.209 3.337 ( 4.382 2.379 1.584) 5.232 3.723 ( -11.495 1.654 15.926) 19.711 3.774 ( 2.606 1.163 -5.718) 6.391 4.328 ( -5.948 -2.175 -7.405) 9.744 4.368 ( -7.119 -3.764 -0.740) 8.087 4.599 ( 0.116 -1.654 -3.817) 4.162 4.926 ( -0.565 -2.553 11.336) 11.633 4.996 ( -9.181 -5.302 15.565) 18.833 5.290 ( 7.198 2.913 0.865) 7.814 5.495 ( -0.754 3.251 -1.190) 3.543 5.886 ( 2.627 -0.206 -1.092) 2.852 5.993 ( 6.215 5.882 2.212) 8.838 6.181 ( -1.485 0.386 -2.772) 3.168 6.293 ( 8.006 -6.998 2.872) 11.014 6.539 ( 4.259 1.375 -15.523) 16.156 6.614 ( 3.553 -2.778 -2.604) 5.208 6.959 ( -0.590 0.954 -1.022) 1.518 7.101 ( 3.495 -0.738 0.886) 3.680 7.657 ( 0.728 3.421 -1.568) 3.833 8.094 ( -4.099 -4.976 0.067) 6.447 8.260 ( -4.261 5.360 -4.201) 8.034 8.347 ( -1.352 -2.276 -0.183) 2.654 8.569 ( 10.599 2.777 11.871) 16.155 8.963 ( -0.962 1.734 -2.426) 3.133 9.613 ( -6.132 -7.372 -0.479) 9.601 9.760 ( -6.221 4.404 0.702) 7.655 10.182 ( -5.601 0.060 0.290) 5.609 10.274 ( -5.819 -0.171 0.055) 5.822 10.457 ( 14.776 0.848 4.190) 15.382 10.525 ( 11.159 0.928 0.874) 11.232 11.698 ( 0.194 0.241 0.122) 0.332 11.819 ( -0.796 2.327 -4.553) 5.175 11.984 ( 0.218 -1.988 2.281) 3.034 12.206 ( 1.467 -3.332 1.795) 4.059 12.526 ( -5.729 2.042 0.120) 6.084 12.946 ( 3.184 1.068 -0.932) 3.485 13.067 ( -1.521 0.136 1.200) 1.942 13.283 ( 4.768 -1.970 -2.150) 5.589 13.395 ( -1.069 -0.426 0.017) 1.151 13.546 ( -3.150 -1.767 0.631) 3.666 13.748 ( -2.157 2.994 -2.783) 4.622 14.119 ( 2.967 1.469 -5.631) 6.532 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -9.514 12.566 26.598) 30.917 2.131 ( -6.654 5.893 25.212) 26.733 3.345 ( 0.099 -2.227 4.178) 4.736 3.514 ( 5.609 -1.620 3.019) 6.573 3.739 ( -5.689 7.210 -3.855) 9.961 3.816 ( -1.306 -3.786 3.849) 5.555 4.001 ( -0.941 10.251 10.593) 14.771 4.330 ( -0.832 6.484 -0.148) 6.539 4.569 ( -0.993 3.683 -1.325) 4.038 4.809 ( 3.849 -7.011 1.841) 8.207 5.247 ( 3.611 -0.838 13.362) 13.867 5.479 ( -3.795 5.492 3.372) 7.479 5.650 ( -5.856 -3.332 7.914) 10.394 5.879 ( 4.145 -8.053 -6.286) 11.025 6.043 ( 5.360 -3.930 5.775) 8.805 6.194 ( -2.338 -6.609 -1.717) 7.218 6.378 ( 0.440 -4.792 -13.693) 14.514 6.486 ( 10.093 0.616 -6.287) 11.907 6.628 ( 1.582 12.927 0.115) 13.024 6.803 ( -3.866 3.379 -4.954) 7.135 6.960 ( -0.982 -3.671 -0.896) 3.904 7.473 ( 3.021 3.726 -9.699) 10.821 7.972 ( -8.183 2.756 3.302) 9.244 8.096 ( -7.231 0.347 -2.378) 7.620 8.291 ( -2.686 7.214 -2.933) 8.238 8.718 ( -4.182 -1.906 -6.869) 8.265 8.996 ( 16.678 -23.996 9.245) 30.650 9.528 ( 2.042 2.913 1.200) 3.755 9.798 ( -5.274 4.108 1.836) 6.933 10.007 ( -2.060 2.660 0.322) 3.380 10.109 ( -4.968 3.746 -0.908) 6.288 10.841 ( 9.379 -11.047 6.176) 15.753 11.063 ( 11.728 -10.897 8.342) 18.052 11.689 ( 0.413 0.727 -2.605) 2.735 11.804 ( -0.807 0.328 -0.173) 0.888 11.960 ( 1.261 -1.400 0.849) 2.067 12.197 ( -0.103 -0.872 2.254) 2.419 12.513 ( -4.615 4.879 2.509) 7.169 12.913 ( 0.178 0.181 -5.602) 5.608 13.075 ( -1.002 -0.577 1.895) 2.220 13.283 ( 0.793 1.116 -1.614) 2.116 13.362 ( 0.690 -0.747 -1.347) 1.688 13.381 ( -1.812 2.867 -0.599) 3.444 13.711 ( -2.408 2.062 -4.258) 5.309 14.078 ( -3.797 6.406 -9.039) 11.711 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -9.060 8.463 23.815) 26.849 2.442 ( 6.520 14.219 25.969) 30.316 3.198 ( -4.671 -10.895 -0.565) 11.868 3.660 ( 0.512 -2.199 -7.600) 7.928 3.773 ( 1.061 -3.375 -3.839) 5.221 3.796 ( 2.321 12.239 20.769) 24.219 4.153 ( -0.501 11.764 3.111) 12.178 4.310 ( -5.451 2.600 1.276) 6.173 4.595 ( 1.430 1.424 1.853) 2.739 4.878 ( 7.457 -0.794 -4.039) 8.517 5.378 ( 1.533 1.711 11.014) 11.251 5.525 ( -2.248 9.462 6.282) 11.578 5.622 ( 1.062 -4.188 11.318) 12.114 5.805 ( 2.003 -10.552 -4.848) 11.784 6.051 ( -1.380 -2.518 -5.186) 5.928 6.130 ( -1.459 -4.960 -4.298) 6.724 6.150 ( -7.396 -3.718 2.824) 8.746 6.674 ( 10.777 3.442 -10.975) 15.762 6.771 ( 2.639 4.697 1.139) 5.507 6.800 ( 0.557 5.134 -5.010) 7.196 6.856 ( -0.642 -3.114 -6.362) 7.112 7.525 ( 2.093 3.838 -7.284) 8.495 7.849 ( -10.895 0.529 5.743) 12.327 8.011 ( -2.483 6.068 -3.163) 7.279 8.307 ( -0.845 4.973 -3.031) 5.885 8.603 ( -2.246 -1.700 -5.804) 6.452 9.046 ( 12.031 -28.041 8.886) 31.780 9.616 ( 2.145 6.584 0.725) 6.962 9.785 ( -0.178 2.631 0.453) 2.676 10.026 ( -1.474 4.462 1.288) 4.872 10.074 ( -3.067 4.898 -1.167) 5.896 10.872 ( 4.541 -14.295 5.705) 16.047 11.105 ( 3.857 -17.717 7.661) 19.684 11.654 ( -1.293 -1.927 -2.913) 3.724 11.801 ( -0.735 0.109 0.667) 0.999 11.992 ( 2.410 0.137 1.459) 2.820 12.238 ( 2.948 2.378 1.535) 4.087 12.485 ( -5.453 4.162 2.117) 7.179 12.878 ( -0.888 0.915 -4.647) 4.819 13.067 ( -0.143 -1.000 1.247) 1.605 13.297 ( -0.015 2.753 -0.849) 2.881 13.390 ( 4.177 -1.636 -2.260) 5.023 13.409 ( 0.613 5.638 0.662) 5.710 13.646 ( -3.788 1.052 -4.618) 6.065 13.992 ( -6.451 6.126 -8.816) 12.525 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -1.428 9.800 20.825) 23.060 2.842 ( 6.795 11.684 20.873) 24.867 3.017 ( -3.166 -11.668 2.050) 12.263 3.558 ( -1.689 -6.613 -9.088) 11.366 3.695 ( -0.931 -1.661 -8.746) 8.951 4.096 ( 1.766 11.186 10.154) 15.210 4.204 ( -1.215 4.676 2.585) 5.480 4.278 ( -3.094 2.136 4.114) 5.573 4.698 ( 4.241 3.358 10.117) 11.472 4.944 ( 5.388 0.235 -8.827) 10.344 5.406 ( -4.201 -1.804 5.881) 7.449 5.598 ( 0.457 -6.825 -10.153) 12.242 5.669 ( -3.043 9.306 1.192) 9.863 5.793 ( 3.223 0.300 9.129) 9.686 5.916 ( -4.779 -6.098 8.094) 11.205 6.034 ( 5.463 2.128 -2.980) 6.576 6.182 ( 0.403 -1.523 7.067) 7.240 6.585 ( -5.768 -5.714 -7.673) 11.171 6.784 ( 1.119 -0.316 -10.867) 10.929 6.842 ( 0.230 3.061 -3.904) 4.966 6.918 ( 0.100 6.507 -1.448) 6.666 7.541 ( 6.152 4.552 -12.729) 14.852 7.734 ( -7.258 -0.993 9.421) 11.934 8.081 ( 2.295 7.585 -0.455) 7.937 8.310 ( -0.781 2.740 -3.820) 4.765 8.551 ( 1.496 -2.372 -2.581) 3.812 8.963 ( 4.148 -25.099 4.901) 25.907 9.724 ( 1.024 9.245 0.016) 9.302 9.827 ( -0.808 3.879 0.979) 4.081 10.064 ( 1.628 4.205 -1.287) 4.689 10.099 ( 0.564 6.393 -0.208) 6.421 10.782 ( -1.377 -17.208 4.636) 17.874 10.966 ( -1.586 -21.511 6.722) 22.593 11.604 ( -0.422 -1.031 -2.043) 2.327 11.788 ( -0.830 -0.330 0.966) 1.316 12.037 ( 1.013 0.497 0.515) 1.240 12.333 ( 1.819 3.164 1.576) 3.975 12.462 ( -0.993 2.807 1.859) 3.510 12.855 ( -0.324 1.624 -3.190) 3.595 13.062 ( 0.186 -1.351 0.854) 1.609 13.312 ( -0.302 1.357 -1.392) 1.967 13.425 ( -0.915 2.425 -2.284) 3.455 13.476 ( 1.670 2.907 -0.941) 3.483 13.594 ( -0.293 2.761 -0.395) 2.804 13.904 ( -3.252 4.296 -6.108) 8.145 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 3.269 9.150 19.077) 21.409 2.830 ( -2.449 -14.347 4.475) 15.227 3.168 ( 2.845 5.205 5.403) 8.024 3.393 ( -0.952 -5.228 -0.642) 5.353 3.624 ( 0.089 1.135 -11.439) 11.496 4.024 ( -6.717 3.261 -18.400) 19.857 4.292 ( 1.690 2.128 -1.475) 3.092 4.400 ( -0.969 3.306 30.202) 30.397 4.890 ( 5.477 0.470 12.642) 13.786 4.954 ( 2.094 2.309 -11.320) 11.741 5.299 ( -5.664 -0.237 -6.917) 8.943 5.413 ( -3.318 -8.762 -11.076) 14.508 5.641 ( -0.194 -1.476 -0.431) 1.549 5.821 ( -8.982 3.633 11.719) 15.206 6.048 ( 8.736 1.092 8.138) 11.989 6.138 ( 0.420 0.420 -1.999) 2.086 6.279 ( 7.034 3.157 7.725) 10.915 6.419 ( -1.023 -4.864 -2.406) 5.522 6.699 ( -7.635 0.487 -5.368) 9.346 6.732 ( -5.689 -2.206 -2.421) 6.565 6.943 ( -1.821 8.161 -7.045) 10.934 7.646 ( 1.534 5.602 -6.195) 8.492 7.758 ( 9.646 -0.523 3.489) 10.271 8.174 ( 1.025 3.635 1.009) 3.909 8.304 ( 0.090 2.915 -2.298) 3.713 8.563 ( 4.249 -4.388 -1.382) 6.263 8.783 ( -1.696 -16.954 -0.492) 17.046 9.820 ( 1.300 3.233 1.260) 3.705 9.843 ( -3.306 11.030 -0.818) 11.544 10.106 ( 0.723 3.017 -3.935) 5.011 10.234 ( 4.718 8.019 0.893) 9.347 10.549 ( -7.419 -18.263 4.316) 20.180 10.774 ( -1.916 -18.586 4.855) 19.305 11.599 ( 1.136 0.367 -1.029) 1.576 11.794 ( 0.768 0.005 2.409) 2.529 12.031 ( -1.408 -0.296 -1.689) 2.219 12.326 ( -3.633 -0.021 0.871) 3.735 12.563 ( 5.855 2.809 2.681) 7.025 12.850 ( -0.816 1.754 -2.466) 3.134 13.062 ( 1.154 -1.396 0.529) 1.887 13.273 ( -4.831 1.360 -1.944) 5.382 13.381 ( -1.595 1.454 -2.243) 3.112 13.556 ( 3.642 1.617 0.617) 4.032 13.620 ( -0.495 2.386 -0.495) 2.487 13.929 ( 3.003 4.880 -0.873) 5.797 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -0.447 -4.985 15.886) 16.655 2.729 ( 0.716 -3.902 4.349) 5.886 3.039 ( -1.194 -8.781 -8.385) 12.200 3.482 ( -4.926 0.813 -3.649) 6.184 3.591 ( 3.309 4.790 -4.826) 7.563 3.854 ( -3.165 5.848 -7.344) 9.907 4.338 ( 3.985 0.533 -5.624) 6.913 4.549 ( -4.689 0.225 28.723) 29.104 4.860 ( -2.965 -5.525 -9.788) 11.625 5.023 ( 2.781 -1.481 1.800) 3.629 5.162 ( -5.585 0.759 -8.012) 9.795 5.274 ( 2.569 -1.192 -7.102) 7.646 5.617 ( -0.983 -5.080 0.810) 5.237 5.780 ( -6.604 3.274 8.380) 11.160 6.020 ( -7.018 0.215 6.550) 9.602 6.232 ( 6.111 -3.059 -7.617) 10.233 6.405 ( 0.390 -5.405 -1.800) 5.710 6.416 ( 0.335 -2.864 0.540) 2.934 6.533 ( -3.618 6.786 3.508) 8.452 6.738 ( 4.143 3.063 4.772) 7.023 6.934 ( -2.187 6.175 -6.283) 9.077 7.656 ( -1.719 4.253 -2.050) 5.024 7.989 ( 12.835 2.093 1.548) 13.097 8.202 ( 0.733 -0.108 1.641) 1.800 8.349 ( 1.439 2.374 0.444) 2.812 8.476 ( -5.052 -11.348 -3.738) 12.972 8.707 ( 6.576 -0.904 -2.829) 7.216 9.866 ( 1.088 3.574 1.289) 3.952 9.931 ( 0.184 9.463 0.820) 9.500 10.074 ( -2.551 -4.472 -3.376) 6.157 10.248 ( -4.997 -7.182 0.039) 8.749 10.428 ( 0.699 6.062 1.212) 6.222 10.596 ( -3.362 -13.759 3.035) 14.485 11.630 ( 1.638 1.764 -0.136) 2.411 11.842 ( 2.310 0.250 3.677) 4.350 11.971 ( -2.287 -1.621 -3.746) 4.679 12.260 ( -3.177 -2.174 0.665) 3.907 12.699 ( 5.300 2.150 2.157) 6.113 12.815 ( -3.429 0.899 -2.114) 4.128 13.084 ( 2.719 -1.082 -0.273) 2.939 13.195 ( -4.682 1.700 0.150) 4.984 13.376 ( 0.847 0.074 -0.988) 1.303 13.571 ( 0.468 -1.571 -1.607) 2.296 13.685 ( 2.809 3.577 1.728) 4.865 14.032 ( 2.298 5.009 0.841) 5.574 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -8.538 -10.476 12.724) 18.562 2.667 ( 4.402 -11.117 -11.932) 16.892 3.075 ( -2.822 2.433 11.417) 12.010 3.222 ( -8.600 1.038 -10.285) 13.447 3.641 ( 2.489 3.206 -7.287) 8.342 3.980 ( 3.383 8.069 6.217) 10.733 4.353 ( 2.957 -0.704 -7.556) 8.144 4.598 ( -7.180 -1.954 21.617) 22.862 4.619 ( -5.778 -10.044 -14.912) 18.885 5.001 ( -1.994 -6.217 2.658) 7.049 5.093 ( 2.225 0.514 -5.947) 6.370 5.332 ( 1.017 3.837 4.231) 5.801 5.536 ( -2.558 -0.388 -1.550) 3.016 5.786 ( -0.689 3.790 4.997) 6.309 6.005 ( -4.111 0.664 11.565) 12.291 6.125 ( -8.571 -5.011 -7.644) 12.530 6.243 ( 6.364 -8.538 -6.674) 12.567 6.428 ( -1.425 -0.849 -4.923) 5.195 6.640 ( 1.574 6.465 -0.340) 6.662 6.896 ( 4.486 2.185 7.288) 8.833 6.941 ( 1.496 3.502 -2.557) 4.587 7.652 ( -0.553 2.500 -3.340) 4.208 8.216 ( -1.951 -6.322 0.204) 6.620 8.226 ( 8.266 4.522 4.720) 10.538 8.289 ( 0.889 -1.994 -1.273) 2.527 8.371 ( -0.107 0.003 -0.202) 0.228 8.849 ( 8.386 2.837 -0.621) 8.874 9.853 ( -8.246 -9.880 2.774) 13.164 9.931 ( -0.927 5.735 -0.251) 5.815 10.090 ( 7.781 2.964 1.442) 8.450 10.159 ( -0.511 0.502 -5.908) 5.951 10.411 ( -4.713 -5.298 0.970) 7.157 10.507 ( -2.657 3.466 0.950) 4.469 11.681 ( 1.241 2.661 1.029) 3.112 11.871 ( -2.482 0.492 -4.038) 4.765 11.926 ( 3.131 -2.667 2.799) 4.975 12.197 ( -1.645 -2.747 0.468) 3.236 12.730 ( -5.878 0.845 -0.986) 6.019 12.807 ( 4.759 0.738 0.816) 4.885 13.125 ( 3.971 -1.297 -1.364) 4.395 13.153 ( -3.315 1.755 1.458) 4.024 13.391 ( 1.192 -0.134 -0.276) 1.231 13.560 ( 1.374 -2.472 -0.658) 2.904 13.762 ( 1.123 3.244 0.959) 3.564 14.093 ( -0.403 3.809 -0.212) 3.836 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -14.140 -8.558 4.458) 17.119 2.619 ( 1.512 -6.231 -1.105) 6.506 2.830 ( -10.732 -2.562 -1.800) 11.179 3.368 ( 4.156 8.096 12.304) 15.304 3.678 ( 3.899 1.351 -4.673) 6.234 4.053 ( -6.596 4.736 3.975) 9.041 4.299 ( -5.028 -5.601 -14.084) 15.969 4.374 ( 0.436 -5.971 -3.763) 7.071 4.571 ( -3.176 -3.102 8.311) 9.423 4.928 ( -1.422 -8.503 7.796) 11.623 5.088 ( 0.315 -3.961 0.673) 4.030 5.411 ( -2.972 10.698 5.383) 12.340 5.554 ( -0.258 5.199 4.512) 6.889 5.861 ( -5.677 -1.916 -7.575) 9.659 5.911 ( 8.308 2.985 2.984) 9.319 6.084 ( 1.932 -3.750 5.466) 6.905 6.239 ( 5.772 -6.620 -4.950) 10.082 6.358 ( -0.602 -0.990 -5.736) 5.852 6.652 ( -4.340 5.575 -3.610) 7.934 6.968 ( 0.063 1.291 -0.917) 1.584 7.021 ( 5.110 -0.832 1.306) 5.340 7.648 ( 0.602 0.542 -3.423) 3.517 8.095 ( -2.379 -4.120 -0.212) 4.762 8.307 ( 0.326 -4.892 -0.602) 4.940 8.344 ( -0.132 6.125 0.028) 6.126 8.488 ( 9.223 3.107 5.862) 11.362 8.971 ( 2.113 1.593 1.102) 2.866 9.640 ( -6.445 -9.053 0.767) 11.139 9.938 ( -6.891 8.817 -1.843) 11.341 10.179 ( 6.799 -0.368 -2.970) 7.429 10.268 ( 7.839 -0.904 2.774) 8.365 10.318 ( -1.156 -1.649 -0.015) 2.013 10.481 ( -2.961 2.294 1.793) 4.153 11.715 ( -1.015 0.968 0.964) 1.702 11.817 ( -0.069 1.517 -4.843) 5.076 11.970 ( 1.270 -1.688 3.013) 3.680 12.167 ( 0.639 -2.221 1.119) 2.568 12.636 ( -5.295 0.238 0.003) 5.300 12.887 ( 3.661 0.714 -0.331) 3.745 13.125 ( -3.059 1.367 1.719) 3.766 13.170 ( 4.361 -1.414 -2.735) 5.338 13.402 ( 0.076 0.048 -0.006) 0.091 13.551 ( 0.234 -2.360 0.186) 2.379 13.794 ( -0.960 2.813 -0.634) 3.039 14.100 ( -1.091 2.536 -2.188) 3.523 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 2.268 8.506 21.181) 22.938 2.478 ( -14.663 0.457 18.412) 23.542 3.162 ( 14.981 -3.083 3.786) 15.756 3.438 ( -0.795 -5.160 -2.142) 5.644 3.664 ( 4.338 -0.442 -9.525) 10.475 3.946 ( -4.144 1.072 -11.474) 12.246 4.177 ( 2.314 12.651 6.242) 14.295 4.320 ( -0.328 0.255 3.442) 3.467 4.679 ( 2.137 5.249 5.085) 7.614 4.754 ( -4.539 -6.386 8.460) 11.531 5.262 ( 3.938 -2.150 14.798) 15.463 5.495 ( 3.555 1.350 -10.541) 11.206 5.736 ( -4.988 -5.302 0.937) 7.339 5.859 ( -4.476 0.032 9.687) 10.671 5.987 ( 13.899 -0.616 -8.321) 16.211 6.071 ( 2.583 -3.400 3.666) 5.628 6.130 ( -1.371 -5.140 -4.383) 6.892 6.474 ( 0.059 0.335 7.181) 7.189 6.653 ( -1.651 4.634 -6.518) 8.167 6.923 ( -2.409 0.945 -3.801) 4.599 6.976 ( -3.300 2.629 1.852) 4.607 7.431 ( 0.079 6.897 -10.173) 12.291 8.123 ( -3.559 0.837 1.872) 4.107 8.151 ( -1.539 0.643 -0.345) 1.703 8.366 ( -3.470 2.090 -3.157) 5.136 8.615 ( 7.740 -14.897 2.267) 16.940 8.771 ( -5.622 0.426 -6.470) 8.582 9.546 ( 1.570 3.944 3.378) 5.426 9.945 ( -9.176 1.418 -3.604) 9.960 10.103 ( -3.481 4.779 4.406) 7.374 10.206 ( -3.408 3.068 -1.244) 4.751 10.570 ( 13.089 -11.600 4.175) 17.980 10.791 ( 13.268 -8.433 3.261) 16.056 11.693 ( -0.921 1.891 -2.312) 3.126 11.829 ( -1.158 1.214 0.453) 1.737 11.927 ( 1.018 -2.094 -0.025) 2.328 12.208 ( -0.507 -2.028 4.073) 4.578 12.625 ( -0.864 4.445 1.686) 4.832 12.870 ( 0.059 -0.995 -3.759) 3.889 13.105 ( -1.629 -0.185 0.228) 1.655 13.228 ( 2.885 -0.924 0.296) 3.044 13.357 ( -1.827 0.529 -2.038) 2.788 13.475 ( -3.389 2.148 1.993) 4.480 13.740 ( -2.395 1.512 -4.399) 5.232 14.114 ( -0.584 3.441 -4.691) 5.847 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -9.247 1.235 17.971) 20.248 2.615 ( 4.681 12.436 24.025) 27.455 3.143 ( -2.743 -11.173 -1.646) 11.622 3.533 ( 5.108 -1.371 -3.074) 6.117 3.694 ( 3.297 -1.530 -2.580) 4.458 3.852 ( 5.501 5.895 -15.270) 17.268 4.310 ( -4.134 3.246 5.627) 7.700 4.381 ( 3.320 6.294 2.601) 7.576 4.632 ( -5.753 -3.186 7.985) 10.344 4.829 ( 2.874 6.004 2.337) 7.055 5.417 ( 3.963 1.664 9.006) 9.979 5.523 ( 6.898 -3.718 -0.038) 7.837 5.615 ( -3.778 -5.562 3.573) 7.614 5.840 ( -4.421 -0.073 9.412) 10.398 5.988 ( -0.363 -2.900 -13.253) 13.572 6.079 ( 0.496 -2.740 -0.850) 2.911 6.229 ( 7.427 5.318 1.006) 9.190 6.429 ( -1.010 -4.213 2.012) 4.777 6.678 ( 4.614 -0.544 -3.961) 6.105 6.839 ( -4.031 -3.730 -5.443) 7.732 6.966 ( -3.464 9.630 -0.578) 10.251 7.492 ( 1.944 7.120 -6.364) 9.745 8.071 ( -9.144 1.638 5.022) 10.560 8.090 ( -2.621 4.048 -3.172) 5.772 8.331 ( -0.723 1.502 -3.178) 3.589 8.611 ( 1.927 -10.409 3.671) 11.204 8.679 ( 3.933 -7.600 -2.417) 8.892 9.655 ( 2.494 7.285 3.166) 8.325 9.817 ( -3.732 1.320 -3.988) 5.619 10.112 ( -2.335 3.228 1.427) 4.232 10.191 ( -4.044 6.214 0.574) 7.436 10.646 ( 8.613 -15.102 3.474) 17.729 10.882 ( 7.555 -14.420 3.102) 16.573 11.658 ( -2.143 0.122 -2.440) 3.250 11.822 ( -1.354 -0.050 0.402) 1.413 11.958 ( 3.036 0.363 1.570) 3.437 12.224 ( 1.723 0.021 2.805) 3.292 12.631 ( -5.218 4.081 1.558) 6.806 12.853 ( 1.390 -0.348 -3.633) 3.906 13.078 ( -1.265 -0.518 0.769) 1.569 13.277 ( 4.696 -1.596 -0.477) 4.983 13.327 ( -1.073 1.658 -1.888) 2.732 13.478 ( -1.646 4.303 2.811) 5.397 13.680 ( -2.872 0.918 -4.868) 5.726 14.078 ( -3.701 2.764 -5.621) 7.275 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -4.243 5.134 18.670) 19.822 2.895 ( 0.489 -8.117 10.217) 13.058 3.032 ( 1.985 4.892 11.649) 12.790 3.454 ( -1.271 -6.604 -10.567) 12.526 3.627 ( -0.878 0.371 -14.187) 14.219 4.040 ( 9.015 4.966 -14.221) 17.555 4.298 ( -0.194 0.294 7.499) 7.507 4.432 ( -5.679 1.171 13.665) 14.845 4.668 ( 5.897 1.818 2.841) 6.793 4.915 ( 0.021 5.519 -0.025) 5.519 5.456 ( 1.707 -2.032 -11.775) 12.070 5.500 ( -5.714 -2.226 7.930) 10.025 5.717 ( 7.219 -5.611 13.955) 16.684 5.823 ( -6.043 0.067 -11.832) 13.286 5.893 ( 7.822 1.132 -0.250) 7.907 6.054 ( -4.211 4.344 4.924) 7.801 6.262 ( -4.029 -0.246 7.898) 8.870 6.517 ( 3.956 -4.898 -3.210) 7.067 6.656 ( 4.222 -2.089 -10.654) 11.649 6.788 ( 3.505 0.970 1.416) 3.903 7.005 ( -2.044 8.739 -2.836) 9.412 7.481 ( -2.045 2.979 -11.072) 11.646 7.949 ( -10.536 0.204 9.820) 14.404 8.131 ( 0.592 7.546 0.797) 7.611 8.318 ( -0.241 1.247 -3.108) 3.357 8.553 ( -2.722 -1.322 2.139) 3.706 8.672 ( 6.824 -15.465 1.569) 16.976 9.764 ( 1.246 3.987 -1.219) 4.352 9.847 ( 4.189 8.896 -0.576) 9.850 10.120 ( -1.742 2.599 2.043) 3.737 10.185 ( -3.420 7.966 -1.861) 8.866 10.613 ( 4.111 -17.298 2.662) 17.978 10.800 ( 0.615 -18.852 2.449) 19.021 11.611 ( -1.901 0.060 -0.772) 2.053 11.796 ( -0.741 -1.056 0.009) 1.290 12.023 ( 1.970 0.961 0.982) 2.402 12.306 ( 4.888 1.403 2.806) 5.808 12.560 ( -6.319 1.902 -0.532) 6.621 12.854 ( 0.427 1.230 -2.284) 2.629 13.062 ( -0.832 -0.944 1.292) 1.803 13.309 ( 1.336 -0.028 -2.707) 3.019 13.380 ( 4.897 2.048 1.347) 5.476 13.516 ( -1.834 3.590 0.581) 4.073 13.621 ( -0.956 1.428 -1.941) 2.593 13.985 ( -5.468 2.048 -4.504) 7.374 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.241 2.154 18.412) 18.539 2.752 ( -2.119 -13.082 4.191) 13.899 3.163 ( -3.239 -6.703 -6.187) 9.680 3.396 ( 4.505 4.804 10.739) 12.598 3.544 ( 1.061 3.135 -18.209) 18.507 3.974 ( -2.479 -0.341 -19.182) 19.345 4.320 ( -1.866 -0.692 -0.183) 1.998 4.549 ( 4.043 1.530 18.705) 19.198 4.822 ( 7.988 -1.839 4.987) 9.595 4.946 ( -1.213 4.782 -2.875) 5.710 5.295 ( -6.321 -5.307 -7.033) 10.843 5.432 ( -6.877 2.269 -7.412) 10.362 5.641 ( -2.791 -2.532 -0.335) 3.783 5.877 ( 8.943 -3.236 -1.048) 9.568 6.032 ( 2.481 1.039 5.316) 5.958 6.115 ( 2.456 -0.761 7.723) 8.140 6.253 ( -2.115 -1.603 -2.032) 3.342 6.394 ( -2.230 -1.024 1.679) 2.973 6.688 ( 1.276 3.161 -5.156) 6.181 6.882 ( -1.148 1.979 4.895) 5.403 7.015 ( -2.718 5.961 -5.675) 8.667 7.452 ( 7.199 4.239 -13.287) 15.696 7.861 ( -7.586 -0.741 12.530) 14.666 8.203 ( -0.123 2.297 1.096) 2.548 8.324 ( 0.441 3.168 -0.136) 3.201 8.519 ( -1.414 -2.407 1.840) 3.344 8.625 ( 2.330 -9.312 0.437) 9.609 9.802 ( 2.156 0.952 -3.490) 4.211 10.001 ( -1.155 12.481 -0.108) 12.535 10.120 ( -0.360 2.689 0.341) 2.735 10.257 ( 2.428 9.804 -1.189) 10.170 10.480 ( -1.631 -17.430 2.591) 17.697 10.619 ( -0.246 -18.331 1.612) 18.403 11.597 ( -0.313 0.857 0.946) 1.314 11.787 ( 0.697 -0.674 0.523) 1.102 12.038 ( -0.746 -0.018 -1.227) 1.436 12.399 ( -1.347 0.337 2.912) 3.226 12.497 ( 2.287 0.237 -1.513) 2.752 12.864 ( -0.025 1.983 -1.145) 2.290 13.046 ( -0.397 -1.412 1.089) 1.827 13.316 ( 0.196 1.183 -1.452) 1.883 13.430 ( -3.791 1.364 -3.572) 5.384 13.527 ( 3.590 2.138 3.861) 5.689 13.643 ( -0.630 1.117 -1.215) 1.767 13.939 ( 0.275 3.510 0.437) 3.548 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.677 -19.898 4.450) 20.401 2.729 ( -2.865 -5.068 1.730) 6.073 2.995 ( 0.696 -2.152 5.163) 5.637 3.482 ( -0.403 3.263 -17.202) 17.514 3.617 ( 2.770 7.496 8.200) 11.450 3.805 ( -0.160 -0.934 -17.508) 17.533 4.282 ( 0.076 -0.978 -2.717) 2.888 4.710 ( 3.293 -0.770 6.403) 7.241 4.841 ( -4.068 -12.617 12.155) 17.986 4.975 ( 1.469 3.856 -4.191) 5.881 5.157 ( 0.544 0.478 -5.589) 5.636 5.250 ( -8.540 1.311 -10.149) 13.329 5.621 ( -1.617 -1.179 4.764) 5.167 5.917 ( 2.315 -0.458 -9.316) 9.610 6.049 ( -0.664 -6.249 -1.920) 6.571 6.079 ( -2.689 -6.475 -3.875) 8.011 6.264 ( 8.915 -1.306 12.833) 15.680 6.462 ( -2.230 6.134 -0.529) 6.548 6.716 ( -1.283 2.999 0.644) 3.325 6.826 ( -8.840 5.015 9.361) 13.817 6.985 ( -2.059 5.192 -6.852) 8.840 7.611 ( 10.056 4.341 -10.595) 15.239 7.861 ( 2.447 -1.141 10.622) 10.960 8.197 ( -0.118 -2.323 1.403) 2.717 8.369 ( 0.065 1.372 1.619) 2.123 8.445 ( -3.244 -3.453 -2.848) 5.528 8.632 ( 2.188 1.489 3.347) 4.267 9.822 ( 3.360 -0.306 -3.404) 4.793 10.030 ( -2.886 2.267 0.531) 3.708 10.128 ( -5.985 -0.276 0.812) 6.046 10.262 ( -2.569 -1.450 -1.185) 3.179 10.461 ( 5.151 1.908 0.569) 5.522 10.482 ( 0.400 -7.526 -0.085) 7.537 11.628 ( 1.234 1.790 2.116) 3.034 11.815 ( 2.447 -0.573 1.495) 2.924 11.985 ( -3.163 -0.809 -3.261) 4.615 12.319 ( -5.353 -1.563 0.258) 5.582 12.596 ( 7.151 -1.446 0.150) 7.297 12.869 ( -1.382 2.194 -0.384) 2.621 13.042 ( 0.899 -1.105 0.303) 1.456 13.305 ( -4.047 2.951 -0.298) 5.018 13.364 ( -1.124 -0.134 -1.314) 1.734 13.563 ( -2.216 -1.935 -0.465) 2.979 13.673 ( 4.035 2.794 2.336) 5.436 14.041 ( 3.637 4.674 2.829) 6.563 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 4.592 -18.709 -10.263) 21.828 2.532 ( -3.200 -17.396 3.503) 18.032 3.197 ( 5.295 7.579 17.684) 19.955 3.338 ( -8.715 1.528 -11.087) 14.185 3.617 ( -1.535 3.130 -9.300) 9.932 3.884 ( 10.034 3.593 -6.994) 12.748 4.274 ( 2.291 -1.417 -3.018) 4.045 4.559 ( -6.745 -12.151 -7.737) 15.906 4.837 ( -5.104 -3.742 19.204) 20.220 4.942 ( -0.308 -6.284 -2.447) 6.750 5.085 ( -4.794 -0.053 -3.386) 5.870 5.236 ( 7.873 4.375 -6.547) 11.135 5.599 ( -2.968 2.565 0.874) 4.018 5.866 ( -1.220 0.775 -9.467) 9.577 5.933 ( 4.247 -11.249 -0.499) 12.035 6.068 ( 1.766 0.143 -2.347) 2.940 6.371 ( -13.706 3.406 4.635) 14.864 6.422 ( 1.984 -1.046 3.947) 4.540 6.695 ( -2.304 6.346 2.825) 7.318 6.903 ( 2.086 2.478 6.886) 7.610 6.961 ( -1.355 3.681 -4.633) 6.070 7.647 ( -0.198 -0.169 -4.050) 4.059 8.064 ( 13.042 -0.556 3.917) 13.629 8.188 ( 0.420 -3.627 1.382) 3.904 8.318 ( -3.142 1.320 -1.739) 3.826 8.397 ( -2.025 1.789 1.013) 2.886 8.760 ( 6.333 4.382 4.030) 8.692 9.880 ( -4.459 -10.205 -0.560) 11.150 9.895 ( 5.152 -4.487 1.623) 7.022 10.050 ( -2.524 2.405 -0.792) 3.575 10.259 ( -4.590 11.063 -4.217) 12.698 10.378 ( 0.407 -9.986 1.464) 10.101 10.589 ( -0.306 8.750 -2.276) 9.046 11.694 ( 1.911 2.862 2.917) 4.511 11.853 ( 1.171 -3.448 -1.241) 3.847 11.907 ( -1.503 1.197 -0.820) 2.089 12.223 ( -3.812 -1.947 -0.045) 4.280 12.672 ( 5.089 -4.278 -1.398) 6.794 12.859 ( -2.799 3.772 0.705) 4.750 13.057 ( 2.094 -0.927 -0.680) 2.388 13.255 ( -4.886 3.021 1.368) 5.905 13.365 ( 1.291 -0.102 -0.459) 1.374 13.518 ( 0.204 -2.895 0.383) 2.927 13.772 ( 2.432 2.130 2.379) 4.014 14.138 ( 0.609 4.230 1.479) 4.522 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 8.134 -15.273 -10.207) 20.090 2.379 ( 1.955 -14.527 3.622) 15.099 3.120 ( -14.369 0.898 3.559) 14.830 3.471 ( 3.901 8.610 13.231) 16.260 3.606 ( 3.598 2.478 -5.467) 6.998 3.982 ( 6.505 0.025 -15.776) 17.065 4.244 ( -4.179 -2.760 -14.926) 15.744 4.331 ( 1.015 -11.556 9.836) 15.209 4.683 ( -9.219 -6.131 2.253) 11.298 4.937 ( 0.445 -6.433 11.760) 13.412 5.036 ( -0.580 -1.519 0.964) 1.890 5.385 ( 9.569 4.967 -10.384) 14.969 5.615 ( 1.194 4.160 -0.332) 4.341 5.811 ( 1.635 0.646 -9.643) 9.802 5.950 ( 5.823 -6.378 0.806) 8.674 6.047 ( -5.597 2.232 -0.342) 6.036 6.233 ( -10.099 3.920 11.917) 16.104 6.391 ( -3.843 -0.529 0.104) 3.881 6.749 ( -2.055 4.958 -0.114) 5.368 6.953 ( 1.948 -0.676 0.612) 2.151 6.978 ( 0.449 2.126 -0.645) 2.266 7.617 ( 0.264 -1.275 -2.331) 2.670 8.111 ( -2.630 -1.979 0.715) 3.368 8.237 ( 4.078 -5.065 1.974) 6.796 8.378 ( 3.507 5.581 1.010) 6.668 8.414 ( 3.248 3.450 0.055) 4.739 8.935 ( 5.706 2.315 4.153) 7.427 9.664 ( -6.370 -10.125 2.196) 12.162 9.993 ( 8.549 -3.637 -7.230) 11.772 10.067 ( 1.339 3.942 3.408) 5.380 10.252 ( -4.768 8.679 -1.865) 10.076 10.320 ( 0.100 -4.663 1.546) 4.914 10.586 ( -5.302 4.569 -3.398) 7.780 11.753 ( -1.771 -0.397 1.306) 2.236 11.796 ( 1.187 1.634 -2.567) 3.266 11.947 ( 1.973 -0.438 2.390) 3.130 12.163 ( -1.403 -1.122 0.455) 1.853 12.659 ( 0.355 -4.510 -1.910) 4.910 12.875 ( -0.399 3.611 0.755) 3.711 13.084 ( 2.853 -0.846 -1.309) 3.251 13.217 ( -4.161 2.606 1.503) 5.134 13.391 ( 1.502 0.239 0.109) 1.525 13.513 ( 1.478 -2.663 1.368) 3.339 13.819 ( 0.373 0.960 0.744) 1.270 14.157 ( -2.755 3.274 -0.523) 4.311 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 10.713 -8.956 9.444) 16.857 2.636 ( 13.569 1.521 8.861) 16.278 3.071 ( -3.215 0.888 15.645) 15.997 3.363 ( 4.758 -2.424 -6.056) 8.074 3.537 ( 0.474 -0.294 -9.041) 9.058 3.876 ( -0.549 0.114 -14.855) 14.866 4.216 ( 2.393 1.322 0.367) 2.758 4.434 ( -1.308 5.945 11.131) 12.687 4.680 ( 4.150 6.904 2.183) 8.346 4.855 ( -3.704 -6.811 13.070) 15.197 5.186 ( 13.080 -6.737 1.471) 14.786 5.318 ( 7.642 -1.885 -3.295) 8.533 5.660 ( 1.550 -1.706 -5.769) 6.212 5.823 ( -5.793 0.233 -1.413) 5.967 5.929 ( 0.211 -9.722 2.219) 9.974 6.047 ( 2.618 1.706 -2.193) 3.817 6.255 ( -8.090 4.372 8.408) 12.460 6.524 ( -0.175 2.215 4.084) 4.649 6.750 ( -5.852 3.594 1.506) 7.031 6.889 ( -1.179 -2.124 -5.355) 5.880 7.047 ( -1.031 0.390 1.029) 1.508 7.480 ( -1.698 9.288 -6.387) 11.399 8.090 ( 2.423 -2.456 -0.649) 3.511 8.219 ( -0.487 3.888 1.274) 4.120 8.415 ( -2.724 -2.850 -2.865) 4.874 8.447 ( -0.791 -5.369 -3.407) 6.408 8.837 ( -4.705 1.240 -5.301) 7.195 9.586 ( 1.728 4.170 5.144) 6.844 10.098 ( -9.226 -0.459 -1.807) 9.413 10.192 ( 0.168 -0.490 -1.498) 1.585 10.247 ( 7.608 -7.987 0.685) 11.052 10.338 ( -3.194 5.826 5.190) 8.431 10.515 ( 11.954 -5.094 -1.055) 13.037 11.719 ( -0.946 1.826 -0.868) 2.233 11.858 ( 0.793 1.894 -0.912) 2.247 11.895 ( -1.306 -2.513 -0.242) 2.843 12.222 ( -0.556 -2.706 4.781) 5.522 12.624 ( 4.713 1.965 -0.569) 5.137 12.877 ( -3.286 0.108 -1.286) 3.530 13.089 ( 1.590 -1.097 -2.274) 2.984 13.240 ( -2.550 0.728 3.354) 4.276 13.381 ( -1.731 -0.205 -1.404) 2.238 13.531 ( -0.009 0.726 1.188) 1.392 13.772 ( -2.029 1.613 -2.923) 3.907 14.133 ( -1.581 2.091 -1.411) 2.977 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 8.379 -6.970 8.837) 14.031 2.838 ( 1.493 2.076 15.208) 15.421 3.107 ( -3.156 -1.823 6.653) 7.586 3.445 ( 3.215 0.400 -3.315) 4.635 3.545 ( 10.379 2.875 -5.447) 12.069 3.734 ( -3.798 0.919 -18.442) 18.851 4.276 ( 4.711 -3.957 4.069) 7.376 4.512 ( -2.709 9.293 1.361) 9.775 4.782 ( -7.059 -4.430 11.234) 13.988 4.854 ( 4.257 6.686 3.695) 8.745 5.349 ( 5.978 -0.865 -7.700) 9.786 5.379 ( 8.857 -6.061 10.577) 15.069 5.666 ( 1.721 -2.465 -7.052) 7.666 5.752 ( 3.076 -2.400 -0.971) 4.021 5.831 ( -0.349 -9.999 4.393) 10.927 6.121 ( 2.795 3.937 -1.120) 4.956 6.249 ( -3.141 5.803 7.884) 10.281 6.562 ( -3.059 -1.471 2.288) 4.093 6.611 ( -6.962 0.837 -5.466) 8.891 6.829 ( -1.528 -2.655 -2.123) 3.727 7.029 ( 0.337 1.455 -2.622) 3.017 7.538 ( -0.995 7.952 -2.500) 8.395 8.125 ( 1.533 5.169 -2.527) 5.954 8.228 ( -4.437 2.321 2.334) 5.524 8.337 ( -0.510 -2.774 -1.478) 3.185 8.380 ( 3.356 -8.877 1.632) 9.630 8.752 ( -5.351 4.906 -4.512) 8.548 9.712 ( 2.529 6.743 6.029) 9.392 9.914 ( -9.358 1.068 -2.782) 9.821 10.166 ( -1.408 2.072 -2.879) 3.816 10.274 ( 3.708 -6.940 0.173) 7.870 10.397 ( 3.161 -2.932 3.915) 5.824 10.632 ( 9.156 -9.061 0.142) 12.882 11.693 ( -2.490 1.406 -1.717) 3.335 11.842 ( -1.732 -2.477 0.096) 3.024 11.922 ( 3.335 2.602 0.687) 4.285 12.215 ( 0.349 -2.001 3.004) 3.627 12.725 ( 2.321 4.041 0.815) 4.731 12.805 ( -2.212 -2.173 -1.848) 3.609 13.088 ( 0.400 -0.111 -1.253) 1.320 13.219 ( -0.646 -1.726 1.299) 2.255 13.352 ( -0.975 1.426 -1.324) 2.176 13.550 ( -0.223 2.138 1.728) 2.758 13.721 ( -3.935 1.749 -2.446) 4.952 14.111 ( -1.823 0.909 -2.577) 3.285 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 3.612 -1.588 12.882) 13.473 2.843 ( -1.875 -15.303 5.724) 16.445 3.160 ( -0.172 8.104 10.626) 13.365 3.352 ( -1.461 -4.550 -8.913) 10.113 3.566 ( -2.268 3.496 -24.169) 24.525 3.821 ( 11.855 4.564 -0.104) 12.704 4.330 ( 1.308 -5.669 11.319) 12.726 4.558 ( 1.233 6.781 -6.429) 9.426 4.676 ( -6.819 -3.697 9.745) 12.455 4.964 ( 0.480 4.507 0.538) 4.564 5.329 ( 3.288 -1.952 -11.679) 12.289 5.567 ( 4.141 -5.484 5.793) 8.988 5.650 ( 6.718 2.480 -1.674) 7.354 5.768 ( -3.004 -2.882 5.914) 7.233 5.790 ( 3.335 -5.160 0.405) 6.157 6.178 ( -0.966 5.249 -1.767) 5.622 6.319 ( -2.074 -5.953 -3.426) 7.175 6.430 ( 2.734 5.858 6.022) 8.835 6.546 ( -1.625 -5.764 -5.190) 7.925 6.802 ( -0.775 3.112 2.969) 4.370 7.051 ( 1.252 2.463 -3.472) 4.437 7.516 ( -4.471 2.809 -5.087) 7.332 8.162 ( -6.665 0.647 6.928) 9.635 8.201 ( -0.004 5.514 0.913) 5.589 8.314 ( -0.294 0.833 -0.832) 1.214 8.416 ( 6.964 -6.586 0.966) 9.634 8.699 ( -5.756 5.917 0.882) 8.301 9.787 ( -3.751 1.489 -2.195) 4.594 9.881 ( 3.759 8.768 4.073) 10.373 10.167 ( -0.282 2.733 -0.825) 2.868 10.255 ( 2.732 -4.760 -3.259) 6.383 10.408 ( 1.124 -5.271 0.953) 5.473 10.624 ( 2.549 -13.376 0.429) 13.624 11.655 ( -2.676 1.571 -0.509) 3.144 11.794 ( -1.019 -2.619 0.394) 2.838 12.003 ( 2.610 1.865 0.502) 3.247 12.250 ( 3.725 -0.574 1.802) 4.178 12.675 ( -6.715 -0.448 -1.341) 6.862 12.830 ( 2.892 1.464 -0.712) 3.319 13.085 ( -1.154 0.281 0.830) 1.450 13.227 ( 3.937 -1.445 -1.328) 4.399 13.366 ( 0.981 2.171 0.714) 2.487 13.590 ( 0.605 2.599 2.418) 3.601 13.647 ( -4.676 1.034 -1.773) 5.107 14.051 ( -3.745 0.089 -2.613) 4.567 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -3.577 -18.459 9.894) 21.247 2.741 ( 1.683 0.262 8.330) 8.502 3.070 ( -3.149 -12.185 -11.473) 17.029 3.431 ( 2.017 6.031 -14.746) 16.059 3.467 ( 2.816 8.131 3.252) 9.199 3.892 ( -1.376 -1.697 -10.156) 10.389 4.351 ( -2.188 -1.197 5.008) 5.595 4.591 ( 1.587 0.420 1.180) 2.022 4.681 ( 5.943 -4.594 5.823) 9.504 4.984 ( -1.324 3.149 -2.560) 4.269 5.280 ( 0.409 -1.759 -8.988) 9.168 5.541 ( -6.971 3.009 -14.587) 16.444 5.638 ( 5.847 -6.970 -0.108) 9.098 5.726 ( -2.553 -3.687 8.615) 9.713 5.925 ( 5.448 -1.702 2.335) 6.167 6.119 ( -0.813 -2.979 1.447) 3.410 6.301 ( -1.139 2.278 0.393) 2.577 6.430 ( -0.096 -2.012 -0.048) 2.015 6.625 ( 7.645 3.589 0.264) 8.450 6.890 ( 3.625 4.234 5.382) 7.748 7.058 ( -0.747 2.678 -4.596) 5.371 7.429 ( -4.632 4.439 -5.419) 8.398 8.082 ( -9.284 -0.794 10.804) 14.267 8.225 ( -0.890 -0.554 -0.006) 1.048 8.343 ( 1.363 0.865 2.775) 3.211 8.455 ( 2.586 0.076 -3.209) 4.122 8.683 ( -5.075 5.044 5.821) 9.224 9.753 ( 0.394 0.168 -3.827) 3.851 10.083 ( 6.463 9.671 0.993) 11.674 10.144 ( -1.319 -6.186 3.456) 7.207 10.289 ( 4.219 2.879 -4.617) 6.885 10.358 ( -2.513 0.279 -2.006) 3.228 10.487 ( -1.635 -14.013 0.234) 14.110 11.636 ( -1.720 1.835 1.547) 2.953 11.768 ( 0.281 -1.810 0.354) 1.866 12.038 ( 0.318 0.434 -0.877) 1.029 12.343 ( 6.412 -0.745 1.524) 6.632 12.539 ( -6.603 -1.693 -2.236) 7.174 12.874 ( 0.796 2.099 -0.176) 2.251 13.062 ( -1.701 -0.692 1.039) 2.110 13.285 ( 3.366 0.925 -1.659) 3.865 13.428 ( 2.867 1.001 -0.101) 3.039 13.576 ( -3.968 1.646 3.243) 5.382 13.639 ( 1.081 0.208 -0.501) 1.210 13.987 ( -2.298 1.347 0.636) 2.738 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -3.123 -24.445 3.207) 24.851 2.670 ( -5.564 -16.329 -10.105) 19.993 3.003 ( 5.458 2.056 10.333) 11.866 3.387 ( 2.504 6.056 -20.472) 21.495 3.652 ( 2.716 0.830 -0.290) 2.855 3.740 ( -3.185 1.324 -4.353) 5.554 4.286 ( -4.044 -1.849 -0.635) 4.492 4.615 ( 3.482 -5.224 -6.807) 9.260 4.764 ( 4.490 -11.588 12.335) 17.509 4.970 ( 0.326 6.274 -10.177) 11.960 5.204 ( -3.663 -0.285 -1.222) 3.872 5.319 ( -6.335 -2.497 -13.965) 15.537 5.705 ( -0.593 1.099 5.974) 6.103 5.746 ( 3.649 -1.188 0.026) 3.838 5.893 ( 3.570 -3.747 -8.892) 10.289 6.083 ( -3.983 -9.710 1.172) 10.561 6.288 ( 0.569 2.293 11.897) 12.130 6.553 ( 2.623 9.968 -0.105) 10.308 6.737 ( 2.564 3.361 0.763) 4.296 6.986 ( -1.783 -1.047 -0.585) 2.149 7.048 ( -0.219 4.994 1.707) 5.282 7.441 ( 4.668 7.545 -6.014) 10.718 7.968 ( -8.321 -4.706 10.488) 14.191 8.189 ( -1.434 -2.222 1.514) 3.047 8.362 ( 0.691 -1.966 -0.614) 2.173 8.489 ( -1.070 6.075 -1.171) 6.279 8.703 ( -2.498 4.355 7.187) 8.766 9.738 ( 1.763 -0.902 -5.881) 6.205 10.043 ( -1.145 -12.996 2.235) 13.236 10.201 ( -3.323 -3.095 1.564) 4.803 10.278 ( 0.823 -6.237 0.348) 6.301 10.350 ( 0.289 8.146 -2.123) 8.423 10.486 ( 4.935 11.983 -4.860) 13.840 11.655 ( -0.160 2.094 3.401) 3.997 11.774 ( 1.840 -1.044 0.124) 2.119 12.011 ( -2.332 -0.232 -2.255) 3.252 12.400 ( -6.246 -2.268 -0.797) 6.692 12.451 ( 7.169 -2.569 -0.208) 7.618 12.900 ( 0.037 1.988 0.551) 2.063 13.038 ( -0.897 -0.401 0.617) 1.160 13.327 ( 1.188 1.380 -0.848) 2.009 13.421 ( -2.953 0.879 -1.118) 3.278 13.584 ( -2.715 -2.789 -0.483) 3.922 13.642 ( 3.491 1.631 3.494) 5.201 14.043 ( 3.269 3.631 4.526) 6.660 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -1.288 -23.940 -6.234) 24.772 2.347 ( -0.598 -23.961 -5.692) 24.635 3.208 ( 10.090 -0.902 2.163) 10.358 3.377 ( 0.238 5.216 -3.811) 6.464 3.542 ( 0.078 -2.477 -14.617) 14.826 3.821 ( 0.311 5.546 2.914) 6.273 4.216 ( 0.051 -2.093 -2.471) 3.239 4.463 ( -3.258 -17.460 -4.292) 18.272 4.788 ( 4.139 -4.986 2.336) 6.889 4.987 ( -1.253 0.478 -5.348) 5.514 5.083 ( -2.469 -0.234 -14.712) 14.920 5.219 ( -0.215 0.517 4.118) 4.156 5.631 ( -5.133 -5.826 0.156) 7.766 5.807 ( -1.260 4.333 2.792) 5.306 5.892 ( 0.199 -0.421 -3.929) 3.957 6.008 ( 5.143 0.232 -0.941) 5.234 6.419 ( 1.854 1.685 9.664) 9.983 6.599 ( -6.075 8.736 -2.698) 10.977 6.809 ( -0.973 3.151 2.440) 4.102 6.935 ( 0.385 -0.639 1.388) 1.576 7.052 ( -6.380 3.543 3.286) 8.003 7.589 ( 5.515 3.439 -5.428) 8.468 7.908 ( 3.774 -5.227 7.152) 9.629 8.169 ( -0.306 -2.769 4.224) 5.060 8.345 ( -0.066 0.649 -2.334) 2.423 8.494 ( -4.393 5.548 -1.193) 7.177 8.777 ( 1.264 4.519 6.626) 8.119 9.737 ( 4.533 -1.956 -6.102) 7.849 9.869 ( -4.529 -14.338 2.436) 15.232 10.115 ( -3.569 -2.090 2.754) 4.969 10.238 ( 3.926 -9.498 1.059) 10.332 10.434 ( -3.296 14.599 -4.797) 15.716 10.652 ( 2.253 12.328 -5.192) 13.565 11.712 ( 1.466 2.505 4.211) 5.115 11.796 ( 1.696 -1.873 -0.620) 2.602 11.946 ( -2.928 0.561 -1.940) 3.557 12.276 ( -4.936 -2.189 -0.908) 5.475 12.526 ( 5.913 -4.595 -0.626) 7.515 12.927 ( -0.460 3.085 1.265) 3.366 13.029 ( -0.004 -0.409 -0.123) 0.427 13.344 ( 0.600 0.222 -0.465) 0.791 13.374 ( -4.336 2.333 0.885) 5.003 13.500 ( -1.513 -3.718 0.118) 4.016 13.747 ( 3.902 0.699 2.846) 4.880 14.167 ( 2.665 4.223 3.782) 6.264 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 8.335 -20.212 -8.892) 23.602 2.149 ( 6.103 -24.067 1.229) 24.859 3.258 ( 4.140 -6.053 -5.193) 8.986 3.422 ( 1.745 -0.307 -15.394) 15.495 3.571 ( 7.159 4.855 11.695) 14.547 3.856 ( -0.570 2.382 -3.941) 4.640 4.185 ( -3.444 -7.292 -11.652) 14.170 4.227 ( 1.586 -10.797 8.796) 14.016 4.773 ( -9.591 -5.346 -3.620) 11.562 4.845 ( 6.191 -4.270 -0.389) 7.531 5.102 ( 5.650 -0.530 -4.271) 7.103 5.231 ( -2.965 0.929 -1.625) 3.506 5.539 ( 2.841 -3.134 -1.181) 4.392 5.768 ( -2.248 2.870 -5.136) 6.298 5.991 ( 0.182 10.005 8.675) 13.243 6.084 ( 1.193 2.306 -1.665) 3.084 6.421 ( -5.505 1.436 -2.166) 6.088 6.556 ( -7.579 5.753 4.343) 10.459 6.825 ( -0.549 2.043 3.659) 4.227 6.966 ( -2.462 -0.849 1.556) 3.034 6.997 ( -1.875 2.290 3.270) 4.411 7.591 ( -0.400 -1.486 -1.648) 2.255 8.055 ( 9.922 -3.559 3.599) 11.138 8.161 ( -0.610 -2.102 2.639) 3.429 8.372 ( 2.779 2.296 -0.144) 3.608 8.455 ( -3.535 5.257 -3.027) 7.021 8.903 ( 4.108 2.965 5.391) 7.398 9.680 ( -5.111 -9.973 2.648) 11.515 9.772 ( 7.301 -4.227 -6.324) 10.544 10.084 ( 0.058 -1.329 3.695) 3.928 10.237 ( 3.922 -6.453 1.507) 7.700 10.452 ( -6.698 12.955 -5.084) 15.444 10.700 ( -4.522 8.313 -6.161) 11.292 11.760 ( -1.563 -2.460 -2.276) 3.698 11.795 ( 2.184 2.592 3.654) 4.984 11.936 ( 0.579 1.005 0.668) 1.339 12.191 ( -2.737 -0.998 -0.032) 2.913 12.552 ( 3.955 -5.303 -1.707) 6.832 12.947 ( -2.306 3.839 0.872) 4.562 13.036 ( 1.727 -0.536 -0.279) 1.830 13.328 ( -4.680 2.569 1.003) 5.432 13.362 ( 1.932 -0.225 0.416) 1.989 13.475 ( 1.069 -2.998 2.198) 3.868 13.806 ( 1.815 -0.885 0.769) 2.161 14.234 ( -1.642 4.008 1.138) 4.478 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 18.915 -14.040 3.855) 23.870 2.292 ( 26.622 -5.689 4.379) 27.573 3.123 ( 19.659 -0.065 -0.288) 19.661 3.273 ( -6.456 1.331 10.529) 12.422 3.549 ( -2.742 2.639 -4.956) 6.248 3.853 ( -4.164 0.970 -5.376) 6.869 4.164 ( 4.075 -2.579 3.091) 5.728 4.478 ( 6.710 -3.211 -2.832) 7.960 4.737 ( 0.436 8.071 6.482) 10.361 4.810 ( 13.714 -3.634 3.939) 14.724 4.898 ( -0.395 -7.851 8.449) 11.541 5.254 ( 2.086 2.780 1.237) 3.689 5.725 ( -8.248 1.758 -2.013) 8.670 5.774 ( 3.165 -14.291 -2.091) 14.786 5.930 ( -3.735 6.031 -3.543) 7.929 6.027 ( -0.720 4.164 -3.564) 5.528 6.449 ( -7.132 -2.240 6.914) 10.183 6.584 ( -5.067 2.962 -2.251) 6.286 6.822 ( -0.731 -1.062 3.323) 3.565 6.965 ( -3.392 5.213 -2.940) 6.879 7.065 ( -4.677 -3.092 2.100) 5.987 7.553 ( -0.532 6.587 -2.482) 7.059 8.007 ( 4.342 -0.792 -3.406) 5.575 8.259 ( 0.214 2.454 -1.949) 3.141 8.341 ( 0.214 -3.236 -5.878) 6.713 8.466 ( -2.331 -2.708 2.168) 4.179 8.887 ( -3.182 2.173 -4.797) 6.153 9.620 ( 2.738 2.955 5.827) 7.084 9.899 ( 11.977 -9.294 -0.356) 15.164 10.168 ( 1.366 -3.275 -2.621) 4.412 10.256 ( 7.302 -0.242 -0.517) 7.324 10.386 ( -11.017 1.342 -0.378) 11.105 10.555 ( -8.783 6.983 5.060) 12.309 11.743 ( -0.051 0.805 1.397) 1.613 11.827 ( 0.887 0.404 -4.191) 4.302 11.921 ( -1.908 -0.282 0.743) 2.067 12.231 ( -0.583 -2.900 3.680) 4.722 12.533 ( 6.184 0.502 -1.045) 6.291 12.945 ( -4.104 1.384 -0.764) 4.398 13.039 ( 1.371 -1.026 -1.195) 2.088 13.318 ( -2.418 1.152 2.214) 3.475 13.392 ( -1.828 -1.577 -0.808) 2.546 13.508 ( 2.623 -0.603 -0.566) 2.750 13.784 ( 1.136 1.592 -1.280) 2.337 14.205 ( -4.699 2.426 -0.104) 5.289 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 17.225 -7.153 5.858) 19.549 2.622 ( 18.945 -9.701 -1.701) 21.352 3.246 ( -3.394 2.998 1.039) 4.646 3.397 ( 4.857 1.292 7.712) 9.205 3.511 ( -2.589 7.506 -4.066) 8.920 3.750 ( -4.635 2.123 -3.597) 6.239 4.201 ( 2.749 -3.814 5.620) 7.327 4.541 ( 5.974 -2.273 -6.015) 8.777 4.845 ( 0.132 -9.358 8.895) 12.912 4.884 ( 3.457 7.239 3.330) 8.686 5.096 ( 14.012 2.695 5.540) 15.306 5.271 ( -0.360 -4.537 -5.429) 7.084 5.611 ( -1.105 -0.338 -3.422) 3.612 5.709 ( 0.281 -5.991 4.642) 7.584 5.876 ( -3.527 2.290 3.219) 5.296 6.081 ( 2.736 1.618 -1.633) 3.573 6.369 ( -3.876 -1.446 3.841) 5.645 6.522 ( -1.432 -2.061 -4.946) 5.547 6.775 ( -8.501 -0.675 -6.570) 10.765 6.876 ( -4.778 2.404 6.424) 8.359 7.001 ( 0.089 -1.294 -3.254) 3.503 7.597 ( -0.018 2.541 -0.150) 2.545 8.116 ( 5.888 8.128 -1.386) 10.132 8.227 ( 0.893 -5.455 -3.319) 6.447 8.311 ( -2.101 3.330 -0.437) 3.961 8.396 ( -3.322 -2.286 0.921) 4.136 8.847 ( -2.806 6.501 -4.882) 8.601 9.760 ( 3.798 4.774 7.271) 9.491 9.971 ( 10.499 -11.705 -2.857) 15.981 10.091 ( -7.296 -0.563 -3.634) 8.170 10.205 ( -6.119 1.479 1.108) 6.392 10.402 ( 7.827 -4.049 -1.160) 8.889 10.522 ( -5.027 3.435 4.974) 7.862 11.741 ( -1.826 1.830 -0.203) 2.593 11.818 ( 0.536 -3.043 -1.018) 3.253 11.920 ( 0.691 3.047 -0.493) 3.163 12.207 ( -0.376 -3.036 1.833) 3.566 12.651 ( 6.729 0.692 0.732) 6.804 12.870 ( -4.954 0.130 -0.499) 4.980 13.057 ( 1.791 0.266 -0.866) 2.007 13.265 ( -4.620 -1.531 0.910) 4.952 13.366 ( -0.065 1.019 -0.992) 1.424 13.538 ( 2.268 -0.049 -1.417) 2.675 13.794 ( -1.918 2.168 -0.244) 2.905 14.152 ( -3.636 0.730 0.070) 3.709 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 13.423 -1.974 9.705) 16.682 2.686 ( 5.548 -15.194 -2.418) 16.355 3.157 ( -3.094 -6.705 -10.467) 12.809 3.424 ( -2.652 3.011 -0.523) 4.046 3.502 ( -2.774 9.064 -11.622) 14.997 3.827 ( 1.954 7.052 15.650) 17.277 4.277 ( 5.261 -6.360 12.212) 14.740 4.529 ( 0.667 -0.102 -11.975) 11.994 4.771 ( -3.387 -8.669 3.714) 10.021 5.012 ( 1.391 5.997 2.083) 6.499 5.165 ( 3.153 -5.355 -11.977) 13.493 5.378 ( 12.067 0.885 0.493) 12.109 5.562 ( -0.971 1.286 -5.197) 5.441 5.747 ( 1.407 0.082 8.325) 8.443 5.902 ( -3.349 -2.729 15.430) 16.024 6.147 ( 5.781 2.272 -4.429) 7.629 6.268 ( -3.411 -5.485 -10.075) 11.967 6.430 ( 0.113 -4.661 -2.080) 5.105 6.604 ( -7.930 1.683 1.533) 8.250 6.891 ( -2.194 4.436 3.448) 6.032 7.001 ( 2.615 0.058 -2.611) 3.695 7.590 ( -2.671 1.016 0.912) 3.000 8.186 ( 2.045 -6.177 2.137) 6.848 8.273 ( -0.741 5.319 0.324) 5.381 8.319 ( 1.918 3.152 -1.872) 4.137 8.356 ( -0.437 3.986 0.517) 4.043 8.854 ( -3.328 8.465 -0.961) 9.147 9.873 ( 2.523 -4.487 2.017) 5.529 9.926 ( -7.308 0.978 0.218) 7.376 10.031 ( 6.969 -3.579 1.528) 7.982 10.185 ( 1.000 5.096 -4.391) 6.800 10.426 ( 1.034 -4.623 -0.364) 4.751 10.505 ( -1.231 -1.903 1.271) 2.599 11.719 ( -2.845 2.993 -1.792) 4.501 11.785 ( -0.500 -3.948 2.910) 4.930 11.976 ( 2.651 2.337 -1.404) 3.803 12.198 ( 1.771 -1.781 0.364) 2.538 12.724 ( -0.638 -4.031 -0.453) 4.107 12.813 ( -0.106 3.624 0.338) 3.641 13.098 ( 1.850 1.688 0.759) 2.617 13.183 ( -2.080 -2.086 -0.825) 3.059 13.380 ( 0.194 1.637 0.393) 1.695 13.569 ( 2.380 0.097 -1.257) 2.694 13.759 ( -4.707 1.892 1.205) 5.214 14.094 ( -3.322 -0.540 -0.235) 3.374 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.159 -22.030 0.896) 22.153 2.724 ( 6.197 0.718 4.241) 7.543 2.917 ( -2.621 -13.424 -8.949) 16.345 3.350 ( -0.960 5.965 -19.592) 20.502 3.579 ( 0.276 8.242 8.881) 12.120 3.925 ( -5.816 0.703 2.499) 6.369 4.383 ( 3.952 -7.461 14.609) 16.874 4.457 ( 2.227 -1.871 -11.809) 12.162 4.661 ( -0.810 -4.886 -0.134) 4.954 5.050 ( -3.081 3.316 -2.563) 5.202 5.154 ( 5.801 0.169 -6.166) 8.468 5.413 ( 2.286 -9.598 -10.153) 14.157 5.540 ( -0.824 1.074 -8.899) 9.002 5.821 ( -1.634 -2.148 10.241) 10.591 5.893 ( 0.771 1.603 -0.604) 1.879 6.143 ( 1.599 2.394 3.054) 4.197 6.307 ( 3.864 2.629 3.038) 5.574 6.362 ( -0.495 -5.132 -2.766) 5.850 6.575 ( 1.779 1.093 3.442) 4.026 6.930 ( -0.213 3.662 1.308) 3.895 7.044 ( 2.329 2.421 -1.504) 3.681 7.554 ( -5.094 3.299 2.794) 6.681 8.196 ( 3.131 -5.649 2.806) 7.042 8.233 ( -5.281 -0.352 2.944) 6.057 8.342 ( 0.010 0.572 1.744) 1.836 8.460 ( 1.937 10.409 -5.454) 11.910 8.865 ( -5.223 5.607 4.508) 8.891 9.773 ( -4.760 -1.405 -1.697) 5.245 9.900 ( 6.159 -12.962 -1.638) 14.445 10.158 ( 3.644 7.044 3.531) 8.681 10.273 ( 2.461 6.699 -1.065) 7.216 10.377 ( 0.713 -4.346 -3.428) 5.581 10.441 ( -3.540 0.072 -1.962) 4.048 11.693 ( -1.691 2.412 -1.448) 3.282 11.764 ( -1.214 -2.347 4.500) 5.218 12.018 ( 1.749 0.313 -1.688) 2.450 12.241 ( 4.701 -0.980 -0.734) 4.858 12.608 ( -5.614 -3.646 -1.267) 6.813 12.877 ( 1.623 2.847 0.579) 3.328 13.095 ( -2.423 -0.571 0.195) 2.497 13.214 ( 5.125 1.505 0.230) 5.346 13.403 ( 0.903 0.296 0.694) 1.177 13.599 ( 1.819 -0.981 -0.575) 2.145 13.700 ( -5.214 1.411 2.874) 6.119 14.041 ( -2.475 0.351 1.397) 2.864 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -4.205 -25.870 -1.062) 26.231 2.505 ( -5.936 -21.121 -14.622) 26.366 2.943 ( 3.996 -1.318 -0.452) 4.232 3.317 ( 1.140 4.522 -6.050) 7.638 3.656 ( -5.613 -0.740 -4.075) 6.975 3.794 ( 0.139 3.166 0.352) 3.189 4.354 ( -5.999 -4.598 0.682) 7.589 4.423 ( 4.410 -10.941 -0.523) 11.808 4.674 ( 3.932 -4.727 2.904) 6.800 4.974 ( -3.157 4.337 -13.534) 14.559 5.204 ( -0.558 -9.584 -12.925) 16.100 5.229 ( 0.239 3.345 -5.030) 6.046 5.567 ( 8.621 -2.611 1.254) 9.095 5.851 ( -0.191 2.229 10.171) 10.414 5.884 ( -3.934 7.303 -7.085) 10.909 6.094 ( -8.215 -8.453 1.962) 11.949 6.382 ( 1.171 3.938 12.124) 12.802 6.516 ( 11.645 9.029 -2.950) 15.027 6.684 ( 6.491 0.774 2.828) 7.123 6.955 ( 0.873 -0.216 -1.268) 1.554 7.089 ( -0.112 3.134 0.506) 3.176 7.530 ( -4.645 6.193 1.985) 7.992 8.102 ( -7.656 -5.511 2.784) 9.836 8.219 ( 0.000 -4.946 7.397) 8.898 8.336 ( -1.352 1.647 -3.108) 3.768 8.554 ( 1.083 9.985 -4.802) 11.133 8.851 ( -4.811 3.084 6.683) 8.793 9.691 ( -1.408 -1.634 -3.803) 4.372 9.850 ( 5.067 -14.595 -1.377) 15.511 10.194 ( -1.636 -5.987 1.291) 6.340 10.265 ( -4.316 -5.882 0.774) 7.337 10.445 ( 4.569 14.719 0.288) 15.414 10.488 ( 3.457 12.884 -7.928) 15.518 11.698 ( 0.177 2.200 0.053) 2.207 11.755 ( -0.814 -1.203 3.981) 4.237 12.019 ( -0.176 -0.407 -1.940) 1.990 12.309 ( 5.576 -1.953 -2.283) 6.333 12.474 ( -5.562 -3.277 0.336) 6.465 12.920 ( 0.231 2.063 0.915) 2.268 13.060 ( -1.216 -0.150 0.111) 1.230 13.310 ( 2.824 2.611 -0.073) 3.847 13.421 ( 1.424 -1.044 -0.357) 1.802 13.580 ( -1.105 -3.644 -1.204) 3.994 13.667 ( -2.061 0.691 4.706) 5.184 14.066 ( 1.372 2.879 5.478) 6.338 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -3.747 -27.412 -3.112) 27.842 2.076 ( -5.109 -26.530 -14.007) 30.433 2.860 ( 7.210 -19.968 -16.111) 26.651 3.394 ( 3.160 1.194 6.412) 7.247 3.544 ( -3.645 7.285 -7.429) 11.025 3.890 ( 1.196 4.387 2.122) 5.018 4.178 ( -3.067 -7.826 -6.508) 10.631 4.334 ( -2.317 -14.350 5.425) 15.516 4.673 ( 3.695 -8.083 -2.501) 9.233 4.893 ( 1.765 4.267 -19.143) 19.692 5.078 ( -2.926 -1.268 -7.123) 7.804 5.211 ( -0.345 2.130 -1.052) 2.401 5.747 ( 0.798 -3.177 11.930) 12.372 5.800 ( 0.191 -1.723 -3.350) 3.772 5.922 ( -4.937 3.808 -3.003) 6.920 5.984 ( 2.361 10.129 5.920) 11.967 6.503 ( -0.018 4.121 10.671) 11.439 6.712 ( 1.643 8.815 -5.845) 10.704 6.827 ( 4.776 2.913 4.441) 7.143 6.923 ( -1.817 -1.919 -1.352) 2.968 7.131 ( 1.736 0.497 2.776) 3.312 7.555 ( 0.167 7.124 -1.658) 7.317 7.924 ( -6.993 -8.255 6.324) 12.532 8.197 ( -2.015 -5.072 8.034) 9.712 8.313 ( 0.908 -0.560 -3.976) 4.116 8.601 ( -2.475 9.193 -8.015) 12.445 8.864 ( -1.861 2.845 6.595) 7.420 9.640 ( 0.572 -2.235 -4.754) 5.284 9.770 ( 1.562 -12.139 -0.660) 12.257 10.111 ( 0.219 -7.946 1.402) 8.072 10.159 ( -2.728 -4.231 1.497) 5.252 10.579 ( -0.839 12.604 -4.596) 13.442 10.693 ( 4.773 15.795 -5.003) 17.242 11.737 ( 1.580 1.822 0.418) 2.448 11.763 ( 0.071 -0.641 3.462) 3.522 11.984 ( -2.183 0.182 -1.841) 2.861 12.310 ( -1.746 -2.259 -4.466) 5.301 12.407 ( 1.935 -4.248 3.016) 5.557 12.951 ( 0.874 1.730 1.713) 2.587 13.047 ( -1.259 0.959 0.102) 1.586 13.342 ( -0.445 0.454 0.070) 0.640 13.432 ( 0.452 0.788 -0.201) 0.931 13.494 ( -2.762 -3.996 -1.194) 5.002 13.705 ( 2.675 -0.765 3.713) 4.640 14.186 ( 3.343 3.873 6.946) 8.627 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.097 -26.217 -6.517) 27.015 1.758 ( 7.369 -29.559 -3.267) 30.639 2.714 ( 18.534 -29.929 -18.536) 39.785 3.433 ( -2.707 4.017 -9.414) 10.587 3.581 ( 2.807 4.172 7.250) 8.823 3.907 ( -2.700 -0.596 1.642) 3.216 4.072 ( 2.255 -7.021 -8.362) 11.149 4.204 ( -1.895 -8.669 11.750) 14.724 4.633 ( 6.425 -10.778 -7.562) 14.650 4.902 ( -10.155 2.029 -6.707) 12.337 4.915 ( 5.062 4.904 -11.424) 13.423 5.304 ( 4.025 4.097 2.910) 6.438 5.552 ( -8.924 -8.522 6.133) 13.780 5.871 ( -3.829 6.631 -0.979) 7.719 6.012 ( 6.568 5.449 1.180) 8.615 6.169 ( 1.164 13.386 5.102) 14.373 6.534 ( -6.283 2.312 0.329) 6.703 6.724 ( -4.262 6.715 1.984) 8.197 6.854 ( -1.443 1.662 -1.929) 2.927 6.950 ( 3.180 -1.391 2.412) 4.227 7.141 ( -4.468 1.378 6.281) 7.830 7.593 ( -1.749 0.829 -1.538) 2.472 7.888 ( 6.879 -4.663 6.101) 10.309 8.170 ( -0.590 -5.409 7.849) 9.550 8.315 ( 3.312 -2.442 -1.007) 4.237 8.552 ( -4.782 7.322 -12.049) 14.888 8.922 ( 1.002 2.530 4.950) 5.649 9.609 ( 2.761 -4.217 -4.087) 6.490 9.670 ( -1.826 -6.692 0.275) 6.942 10.073 ( 0.901 -5.051 1.784) 5.432 10.117 ( 2.572 -5.596 1.446) 6.326 10.625 ( -3.480 10.290 -4.687) 11.831 10.827 ( -2.408 13.339 -5.638) 14.680 11.749 ( -0.457 -0.790 -1.705) 1.934 11.804 ( 1.425 0.927 3.805) 4.168 11.952 ( -0.893 1.287 -0.468) 1.635 12.226 ( -2.872 -1.130 -1.183) 3.306 12.429 ( 3.827 -5.004 0.380) 6.311 13.004 ( 1.854 1.031 1.509) 2.604 13.029 ( -2.530 2.344 0.044) 3.449 13.335 ( 0.619 -1.052 0.630) 1.374 13.415 ( -3.001 -0.746 -0.112) 3.095 13.448 ( 0.519 -0.569 1.307) 1.517 13.755 ( 2.726 -2.005 0.531) 3.425 14.300 ( 0.439 4.337 3.984) 5.905 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 0.000 37.239) 37.239 1.467 ( -0.000 -0.000 37.239) 37.239 2.390 ( -0.000 -0.000 59.089) 59.089 3.638 ( 0.000 0.000 1.608) 1.608 3.638 ( -0.000 -0.000 1.608) 1.608 3.989 ( 0.000 0.000 1.506) 1.506 3.989 ( -0.000 0.000 1.506) 1.506 4.027 ( 0.000 0.000 -11.657) 11.657 4.494 ( -0.000 -0.000 1.078) 1.078 5.222 ( 0.000 0.000 5.744) 5.744 5.222 ( -0.000 -0.000 5.744) 5.744 5.494 ( -0.000 -0.000 2.637) 2.637 5.516 ( 0.000 0.000 5.868) 5.868 5.516 ( -0.000 -0.000 5.868) 5.868 6.323 ( 0.000 0.000 -4.762) 4.762 6.323 ( -0.000 -0.000 -4.762) 4.762 6.515 ( 0.000 0.000 -6.732) 6.732 6.515 ( -0.000 0.000 -6.732) 6.732 6.550 ( 0.000 0.000 -1.605) 1.605 6.751 ( 0.000 0.000 -9.131) 9.131 7.468 ( 0.000 0.000 -1.219) 1.219 7.621 ( 0.000 0.000 -2.851) 2.851 7.621 ( -0.000 0.000 -2.851) 2.851 7.785 ( 0.000 0.000 1.174) 1.174 7.785 ( -0.000 0.000 1.174) 1.174 8.714 ( 0.000 0.000 -11.759) 11.759 9.576 ( 0.000 0.000 2.671) 2.671 9.576 ( -0.000 0.000 2.671) 2.671 9.894 ( 0.000 0.000 -0.108) 0.108 9.894 ( -0.000 -0.000 -0.108) 0.108 10.712 ( 0.000 0.000 -1.152) 1.152 11.207 ( -0.000 -0.000 6.450) 6.450 11.752 ( 0.000 0.000 -0.138) 0.138 11.775 ( 0.000 0.000 -0.176) 0.176 11.775 ( -0.000 0.000 -0.176) 0.176 12.019 ( -0.000 -0.000 1.280) 1.280 12.271 ( 0.000 0.000 2.861) 2.861 12.271 ( -0.000 -0.000 2.861) 2.861 12.494 ( -0.000 -0.000 1.821) 1.821 13.075 ( -0.000 -0.000 2.176) 2.176 13.195 ( 0.000 0.000 -3.221) 3.221 13.195 ( 0.000 0.000 -3.221) 3.221 13.536 ( 0.000 0.000 -4.664) 4.664 13.536 ( -0.000 0.000 -4.664) 4.664 13.545 ( 0.000 0.000 -0.811) 0.811 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 2.989 -2.546 35.086) 35.305 1.877 ( 6.106 9.904 34.612) 36.515 2.908 ( 14.505 6.672 46.811) 49.458 3.581 ( -0.615 -2.384 -2.019) 3.184 3.721 ( 0.416 1.757 -0.891) 2.014 3.870 ( -3.821 -2.959 5.198) 7.098 3.962 ( -2.317 0.454 -6.352) 6.777 4.093 ( 4.616 2.388 2.452) 5.747 4.492 ( 0.465 -1.752 3.882) 4.284 5.137 ( -8.490 1.950 2.625) 9.098 5.321 ( -1.546 -0.837 7.225) 7.435 5.439 ( -2.031 2.899 3.145) 4.735 5.571 ( 0.484 3.110 6.933) 7.614 5.774 ( 21.268 -3.608 -4.784) 22.096 6.195 ( -4.712 -0.229 -8.695) 9.893 6.323 ( -6.887 -5.200 -2.994) 9.134 6.391 ( 1.433 3.703 0.243) 3.978 6.497 ( -0.637 -3.501 -4.996) 6.134 6.568 ( -1.779 6.256 -6.619) 9.280 6.718 ( 2.569 -1.238 -9.339) 9.765 7.230 ( -11.696 -8.146 -0.811) 14.277 7.529 ( -5.209 -0.073 -6.752) 8.529 7.785 ( 4.815 5.957 1.782) 7.864 7.835 ( 13.164 -0.371 -2.671) 13.437 7.953 ( 6.803 7.139 -0.294) 9.866 8.671 ( 2.046 1.877 -10.075) 10.451 9.538 ( -1.745 -1.663 2.502) 3.474 9.648 ( 1.824 1.210 3.285) 3.948 9.917 ( 2.058 1.489 -0.949) 2.711 9.925 ( 2.559 1.367 -0.205) 2.908 10.261 ( -33.753 -16.275 6.490) 38.030 11.183 ( -5.411 -2.973 6.552) 9.002 11.525 ( -11.024 -4.888 9.993) 15.662 11.755 ( -1.693 -2.444 1.350) 3.266 11.808 ( -2.240 -2.723 1.955) 4.032 12.032 ( -2.660 -1.659 1.045) 3.304 12.218 ( 0.004 5.992 -0.239) 5.997 12.298 ( 4.045 -0.972 2.433) 4.820 12.766 ( 10.485 4.276 -8.273) 14.024 13.082 ( -0.215 -0.295 1.806) 1.843 13.213 ( 3.207 0.679 -1.891) 3.785 13.238 ( 2.579 3.948 -1.455) 4.935 13.453 ( -1.267 -4.698 -4.104) 6.366 13.582 ( 4.303 -0.026 -3.201) 5.363 13.665 ( 10.985 8.853 -8.932) 16.698 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 9.533 -1.183 30.441) 31.920 2.295 ( 5.567 14.367 30.921) 34.547 3.370 ( 4.432 -4.962 20.041) 21.117 3.534 ( -0.784 0.443 -4.273) 4.366 3.645 ( -0.701 0.995 -7.065) 7.169 3.902 ( -0.113 1.841 -4.060) 4.460 3.938 ( 1.117 1.140 13.445) 13.539 4.216 ( 5.879 0.244 1.510) 6.074 4.541 ( 2.184 0.762 11.277) 11.511 5.021 ( -10.873 5.843 0.472) 12.352 5.314 ( 0.040 -3.269 6.343) 7.136 5.426 ( -1.236 -1.405 0.044) 1.872 5.717 ( 5.018 3.737 9.381) 11.276 5.915 ( -0.796 -1.307 -7.583) 7.735 6.096 ( 4.649 -8.195 -1.720) 9.577 6.252 ( 1.064 2.541 -5.974) 6.579 6.357 ( -5.409 0.215 -0.026) 5.413 6.400 ( -6.755 -3.515 -10.328) 12.831 6.523 ( 1.489 1.481 2.305) 3.118 6.726 ( 3.321 2.364 -7.054) 8.147 7.035 ( -4.388 -3.303 0.383) 5.506 7.381 ( -4.000 -0.416 -11.753) 12.422 7.940 ( 5.755 4.380 3.219) 7.916 8.050 ( 12.470 2.659 -5.170) 13.759 8.111 ( 4.828 5.418 -1.831) 7.485 8.691 ( 2.774 4.437 -7.251) 8.942 9.496 ( -14.522 -9.678 1.907) 17.556 9.546 ( -17.024 -5.025 8.713) 19.774 9.746 ( 2.190 0.572 2.458) 3.342 9.972 ( 2.214 3.123 -1.147) 3.996 10.046 ( 4.742 3.420 -0.017) 5.847 11.044 ( -10.329 -6.266 5.180) 13.145 11.317 ( -15.440 -9.878 11.890) 21.848 11.674 ( -2.242 -2.583 -1.360) 3.681 11.785 ( 1.107 -0.753 -0.520) 1.436 11.996 ( -1.712 0.092 1.246) 2.120 12.259 ( -1.916 4.212 3.315) 5.692 12.424 ( 7.585 1.076 1.247) 7.762 12.839 ( 3.436 0.701 -7.869) 8.615 13.091 ( 0.234 0.036 1.580) 1.598 13.253 ( 1.312 0.684 -0.923) 1.744 13.333 ( 3.520 4.091 0.346) 5.408 13.364 ( -1.100 -1.904 -3.232) 3.909 13.631 ( 4.104 0.185 -4.050) 5.769 13.863 ( 10.739 3.513 -9.553) 14.796 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 10.020 -1.320 26.878) 28.715 2.691 ( 1.957 15.264 23.541) 28.125 3.231 ( -7.904 -14.089 7.640) 17.870 3.481 ( -2.500 2.273 -10.148) 10.696 3.604 ( -2.856 -1.537 -10.427) 10.920 3.881 ( 0.507 -1.749 -12.684) 12.814 4.070 ( 2.961 1.854 14.917) 15.320 4.336 ( 4.484 2.449 4.480) 6.795 4.684 ( -0.317 0.199 13.824) 13.829 4.936 ( -5.599 7.264 4.349) 10.150 5.312 ( 3.418 -4.349 -8.485) 10.129 5.412 ( -1.962 -3.386 12.232) 12.843 5.818 ( 1.595 -2.363 -2.804) 3.999 5.892 ( 2.208 -1.097 5.490) 6.018 5.981 ( -10.930 -1.169 -2.549) 11.284 6.131 ( -3.881 -1.734 -5.972) 7.330 6.243 ( -5.289 3.994 -1.574) 6.812 6.456 ( 10.616 0.678 -2.220) 10.867 6.542 ( -2.050 -4.767 8.651) 10.088 6.808 ( 7.024 4.262 -6.116) 10.243 6.981 ( 0.300 -2.860 -0.386) 2.901 7.287 ( 0.368 3.999 -12.313) 12.951 8.082 ( 5.156 1.418 2.745) 6.011 8.175 ( -0.094 4.806 -3.341) 5.854 8.239 ( 10.128 1.824 -4.460) 11.216 8.751 ( 2.433 6.395 -5.749) 8.937 8.951 ( -24.493 -9.967 3.166) 26.632 9.534 ( -0.247 -0.432 5.121) 5.145 9.873 ( 7.664 4.447 -0.515) 8.876 10.042 ( 3.815 2.098 -0.018) 4.354 10.157 ( 3.948 3.798 -1.195) 5.607 10.782 ( -14.310 -10.198 4.155) 18.057 10.987 ( -16.625 -11.489 5.984) 21.076 11.643 ( 1.278 -0.679 -2.143) 2.586 11.805 ( 1.473 0.213 0.045) 1.489 11.976 ( -2.118 0.644 1.195) 2.516 12.287 ( -1.819 2.652 5.200) 6.115 12.546 ( 4.987 -0.228 0.343) 5.004 12.837 ( 1.542 0.290 -5.305) 5.532 13.109 ( 0.558 0.539 0.508) 0.928 13.236 ( -1.299 -2.556 0.172) 2.872 13.336 ( 1.529 1.569 -1.806) 2.839 13.464 ( 3.170 5.101 2.233) 6.407 13.672 ( 3.470 0.888 -4.747) 5.947 13.976 ( 7.116 -0.018 -6.471) 9.618 ======================= Grid point 188 (92/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.760 -1.553 23.746) 23.809 2.719 ( -12.668 -8.343 7.197) 16.790 3.210 ( -2.344 4.603 16.669) 17.452 3.353 ( -4.378 -3.604 -6.990) 9.001 3.441 ( 0.388 -0.155 -20.279) 20.283 3.797 ( 1.793 -1.395 -9.562) 9.829 4.216 ( 0.689 3.715 9.751) 10.457 4.440 ( 3.174 0.233 5.490) 6.346 4.666 ( -4.639 -1.199 7.950) 9.282 5.017 ( -0.392 5.150 8.476) 9.926 5.218 ( -2.560 -8.798 -9.652) 13.309 5.378 ( -7.233 -5.756 10.133) 13.716 5.643 ( -2.731 -3.702 -8.699) 9.840 5.872 ( -4.845 1.224 2.178) 5.451 5.993 ( -0.686 -3.419 -2.725) 4.425 6.077 ( 1.538 4.483 3.839) 6.099 6.250 ( 0.888 3.960 6.708) 7.840 6.494 ( 1.313 -2.403 -3.389) 4.357 6.667 ( 8.151 3.778 6.042) 10.827 6.872 ( 1.553 -0.506 -5.689) 5.919 7.002 ( 5.291 -2.871 1.798) 6.282 7.313 ( 3.800 6.221 -8.608) 11.280 8.160 ( -3.383 1.890 -1.155) 4.043 8.166 ( 2.880 -0.107 1.119) 3.092 8.387 ( 6.536 3.908 -2.761) 8.100 8.562 ( -12.825 -4.514 -2.538) 13.831 8.817 ( 1.652 5.702 -6.323) 8.673 9.571 ( 0.730 -0.294 6.365) 6.413 10.059 ( 7.945 8.362 -3.039) 11.928 10.159 ( 7.314 0.497 2.422) 7.721 10.223 ( 2.216 1.750 -1.685) 3.288 10.446 ( -14.614 -11.663 3.432) 19.010 10.640 ( -14.625 -9.272 0.696) 17.330 11.663 ( 2.686 -0.116 -1.701) 3.181 11.823 ( 0.633 -0.227 -1.309) 1.471 11.959 ( -2.029 1.700 1.796) 3.198 12.310 ( -1.992 1.205 6.097) 6.527 12.571 ( 0.689 -2.750 -2.612) 3.855 12.855 ( 2.296 1.355 -1.629) 3.124 13.099 ( -1.561 -0.403 -1.746) 2.377 13.233 ( 2.074 -0.337 2.777) 3.483 13.377 ( 1.414 2.342 -0.473) 2.776 13.547 ( 0.209 2.283 2.708) 3.548 13.708 ( 3.148 1.105 -5.085) 6.081 14.044 ( 5.442 -0.135 -3.754) 6.613 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -22.931 -7.111 7.055) 25.023 2.492 ( -17.415 -12.122 14.017) 25.430 3.074 ( -3.599 -8.070 -5.980) 10.669 3.386 ( 4.265 3.937 -8.037) 9.914 3.423 ( -1.418 1.465 8.471) 8.712 3.813 ( 4.254 1.820 -3.739) 5.949 4.253 ( -5.084 3.210 4.157) 7.310 4.509 ( 0.383 -3.133 4.873) 5.805 4.704 ( 2.579 -0.073 15.052) 15.271 4.903 ( -13.067 -10.605 -6.486) 18.035 5.082 ( -3.181 3.663 7.604) 9.020 5.244 ( -4.410 -5.861 2.716) 7.821 5.680 ( 5.421 5.721 0.875) 7.930 5.806 ( 1.049 -7.409 -1.329) 7.600 5.929 ( 1.133 1.088 -8.524) 8.668 6.042 ( -11.809 2.554 2.700) 12.380 6.460 ( 9.804 3.314 8.317) 13.277 6.487 ( 3.633 0.985 -7.567) 8.451 6.813 ( 4.798 -1.858 -6.269) 8.110 6.892 ( 1.654 2.595 7.196) 7.826 7.076 ( 4.453 -0.186 0.814) 4.531 7.412 ( 5.858 4.457 -2.835) 7.888 8.083 ( -7.011 1.781 -2.229) 7.570 8.216 ( 2.184 1.514 0.569) 2.717 8.371 ( -4.761 -2.087 -4.630) 6.962 8.490 ( 2.888 2.577 -0.377) 3.889 8.846 ( 1.261 4.515 -7.183) 8.577 9.620 ( 0.436 -0.470 6.378) 6.410 10.058 ( -12.852 -9.845 0.803) 16.209 10.228 ( -2.213 1.946 -1.495) 3.305 10.267 ( 1.235 1.918 1.173) 2.565 10.358 ( 0.181 -0.652 -2.142) 2.246 10.405 ( 9.649 0.321 3.224) 10.178 11.701 ( 2.813 -0.180 -1.069) 3.015 11.801 ( -0.678 -0.756 -3.110) 3.272 11.967 ( -1.223 2.416 2.381) 3.605 12.318 ( -2.286 0.271 5.862) 6.298 12.505 ( -1.862 -3.725 -3.583) 5.493 12.908 ( 2.798 1.398 -0.513) 3.170 13.056 ( -1.574 0.059 -1.298) 2.041 13.300 ( 2.987 0.529 2.079) 3.678 13.412 ( 0.385 1.842 0.057) 1.882 13.549 ( -3.018 0.516 2.197) 3.768 13.726 ( 2.041 -0.768 -4.540) 5.037 14.119 ( 5.799 0.600 -3.404) 6.751 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -2.677 -2.291 34.556) 34.735 2.123 ( 3.934 13.478 31.479) 34.468 3.173 ( -1.101 9.892 41.991) 43.154 3.518 ( -0.420 -6.103 -1.945) 6.419 3.760 ( -0.837 5.728 -7.286) 9.305 3.877 ( -0.242 -2.406 -5.956) 6.429 3.957 ( 2.820 -0.592 9.184) 9.625 4.107 ( -1.876 5.141 1.824) 5.769 4.540 ( -0.391 1.243 8.714) 8.811 5.182 ( 7.580 -5.275 -4.745) 10.383 5.349 ( 0.483 0.558 8.944) 8.975 5.423 ( -1.437 -3.028 0.964) 3.487 5.580 ( 0.391 2.508 6.774) 7.234 5.775 ( -8.899 11.805 0.055) 14.784 6.126 ( 3.500 -5.653 -10.112) 12.103 6.292 ( -5.007 -10.676 -4.031) 12.462 6.347 ( -0.679 -2.890 -0.912) 3.106 6.460 ( 8.983 2.769 -4.333) 10.351 6.588 ( -2.401 6.765 -3.484) 7.979 6.705 ( -0.286 6.311 -11.229) 12.885 7.233 ( -1.065 -13.509 -2.375) 13.758 7.561 ( 6.700 -2.861 -3.365) 8.025 7.669 ( -8.049 3.483 -1.405) 8.882 7.786 ( 1.445 4.867 -0.167) 5.080 8.012 ( 0.720 13.409 -1.533) 13.516 8.600 ( 0.595 1.306 -8.648) 8.767 9.554 ( -0.529 -2.020 2.695) 3.410 9.679 ( 0.366 3.457 2.557) 4.316 9.905 ( 0.230 0.538 -0.683) 0.900 9.917 ( -0.342 2.558 0.151) 2.585 10.298 ( 2.337 -33.747 4.239) 34.092 11.217 ( -0.051 -5.969 4.776) 7.645 11.583 ( 1.741 -8.636 7.699) 11.700 11.781 ( -1.162 -0.186 0.751) 1.396 11.824 ( -1.395 -7.098 5.148) 8.879 12.046 ( -0.026 -2.975 0.922) 3.115 12.160 ( 2.613 2.122 -1.604) 3.729 12.337 ( -0.655 2.037 3.215) 3.862 12.724 ( -1.319 9.988 -6.598) 12.043 13.088 ( -0.213 -0.860 1.425) 1.678 13.203 ( -0.170 3.859 -1.534) 4.156 13.248 ( 1.582 6.104 -0.553) 6.330 13.439 ( -5.217 -1.219 -4.801) 7.194 13.549 ( -0.063 1.801 -2.800) 3.330 13.602 ( 2.006 11.026 -8.193) 13.883 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.138 0.554 31.445) 31.606 2.527 ( 5.733 14.992 26.633) 31.096 3.356 ( 0.087 -10.848 8.410) 13.727 3.553 ( 0.342 4.219 5.652) 7.062 3.676 ( -3.764 4.960 -5.764) 8.485 3.843 ( 0.781 -1.089 -6.239) 6.381 4.086 ( -0.738 4.241 16.960) 17.498 4.153 ( 3.331 3.574 -0.604) 4.923 4.637 ( 0.506 3.016 17.363) 17.630 5.164 ( 1.877 -2.726 -8.280) 8.917 5.304 ( -7.741 -1.000 -2.586) 8.223 5.475 ( 0.838 0.886 9.296) 9.376 5.676 ( 4.282 0.651 -1.113) 4.472 5.802 ( 4.198 5.997 -0.735) 7.357 6.039 ( -4.312 -5.765 2.515) 7.626 6.150 ( 5.051 -6.733 -5.669) 10.148 6.335 ( 1.340 -4.831 0.700) 5.062 6.482 ( -5.847 2.862 -6.576) 9.253 6.640 ( 1.193 8.496 -6.434) 10.724 6.660 ( -2.610 4.648 -5.751) 7.842 7.015 ( -5.040 -10.834 -2.599) 12.228 7.479 ( -8.674 3.227 -5.152) 10.592 7.756 ( 13.786 -1.162 -2.751) 14.106 7.928 ( 5.663 6.540 1.178) 8.731 8.133 ( 1.575 9.465 -3.634) 10.261 8.620 ( 4.500 2.829 -6.104) 8.094 9.532 ( -2.393 -2.592 2.665) 4.421 9.728 ( 0.183 2.733 2.000) 3.391 9.786 ( -11.878 -22.092 3.968) 25.395 9.974 ( 1.987 4.058 -0.642) 4.563 10.027 ( -0.216 -1.821 -0.057) 1.835 11.126 ( -5.313 -9.301 3.894) 11.398 11.495 ( -9.145 -14.924 12.434) 21.469 11.678 ( -3.551 -6.805 -1.499) 7.821 11.771 ( -0.352 0.292 1.435) 1.507 12.028 ( -0.987 0.057 0.878) 1.322 12.295 ( 7.875 1.940 -0.491) 8.125 12.362 ( -1.168 4.774 3.185) 5.856 12.764 ( 1.719 4.473 -6.765) 8.290 13.089 ( 0.312 -0.542 1.139) 1.299 13.253 ( 0.936 3.977 -0.364) 4.102 13.318 ( -1.734 -2.677 -4.751) 5.722 13.360 ( 2.271 7.675 1.188) 8.092 13.558 ( 1.817 0.610 -2.434) 3.098 13.723 ( 6.134 7.968 -8.229) 12.993 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 6.867 2.269 28.299) 29.208 2.911 ( 4.877 13.016 19.429) 23.889 3.233 ( -3.341 -14.271 6.893) 16.197 3.467 ( -3.658 1.688 -14.345) 14.900 3.641 ( -3.972 -0.359 -4.102) 5.722 3.779 ( -3.453 -2.008 -9.361) 10.178 4.224 ( 0.206 7.698 11.617) 13.938 4.282 ( 4.495 1.807 8.323) 9.630 4.817 ( 0.598 4.202 17.835) 18.334 5.116 ( 2.185 -2.361 -8.768) 9.339 5.140 ( -7.177 0.441 -3.471) 7.985 5.519 ( -2.885 -0.844 13.146) 13.485 5.674 ( 2.878 -5.933 -11.217) 13.012 5.853 ( 0.583 -3.138 1.220) 3.416 6.072 ( 6.503 2.786 -6.370) 9.520 6.175 ( -4.257 -0.451 9.359) 10.292 6.286 ( -0.240 -1.380 -1.144) 1.809 6.381 ( -2.444 2.791 -0.743) 3.784 6.588 ( -2.302 -0.684 4.049) 4.708 6.736 ( 2.612 6.215 -7.517) 10.097 6.868 ( 1.751 -7.968 -6.637) 10.517 7.374 ( -6.561 8.827 -4.501) 11.884 7.961 ( 12.132 -0.537 -2.187) 12.340 8.093 ( 6.886 5.472 0.172) 8.797 8.195 ( 0.556 5.160 -4.273) 6.723 8.704 ( 5.197 3.581 -5.581) 8.424 9.204 ( -20.001 -20.115 1.496) 28.406 9.593 ( -1.977 0.858 4.672) 5.145 9.799 ( 4.649 2.938 0.613) 5.534 10.018 ( 1.392 3.451 -2.755) 4.630 10.125 ( 4.621 5.250 -0.256) 6.999 10.900 ( -10.878 -14.010 3.819) 18.143 11.170 ( -15.020 -16.575 7.305) 23.531 11.613 ( 0.002 -0.810 -1.992) 2.150 11.796 ( 0.893 0.843 1.867) 2.235 12.013 ( -1.281 -0.043 0.549) 1.395 12.347 ( 0.403 -1.846 3.286) 3.790 12.485 ( 3.959 6.109 0.724) 7.316 12.783 ( 1.548 2.020 -5.094) 5.694 13.101 ( 0.830 -0.308 0.634) 1.089 13.230 ( -1.504 -2.480 -1.093) 3.099 13.319 ( 1.765 2.561 -0.548) 3.158 13.488 ( 2.705 6.871 1.367) 7.510 13.591 ( 3.347 0.494 -3.345) 4.757 13.844 ( 5.968 4.485 -5.338) 9.177 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 6.068 1.632 26.410) 27.147 2.915 ( -12.541 -10.249 8.789) 18.427 3.229 ( 3.194 -0.532 -13.299) 13.688 3.375 ( -4.484 -0.802 -3.011) 5.460 3.509 ( -8.480 7.699 4.020) 12.138 3.650 ( 3.769 -4.110 -10.011) 11.459 4.347 ( 1.573 5.616 1.406) 6.000 4.422 ( 0.504 1.781 16.480) 16.584 4.817 ( -6.467 1.635 -3.508) 7.537 5.076 ( -0.517 0.404 -3.611) 3.670 5.132 ( 0.790 -3.276 10.716) 11.234 5.434 ( -3.573 -9.245 -8.602) 13.124 5.605 ( -0.984 -1.442 5.226) 5.510 5.941 ( 5.688 -0.602 8.887) 10.569 5.960 ( -6.485 -6.232 -3.202) 9.547 6.167 ( -7.123 5.480 0.068) 8.988 6.308 ( 2.551 0.792 1.305) 2.973 6.412 ( 0.584 2.762 -4.311) 5.153 6.624 ( 4.369 -2.350 3.740) 6.213 6.793 ( 4.462 2.914 -0.984) 5.419 6.856 ( 6.018 -3.489 -2.138) 7.278 7.370 ( -2.792 11.266 -4.566) 12.472 8.107 ( 5.977 0.298 1.350) 6.135 8.203 ( -0.019 1.923 -1.443) 2.405 8.280 ( 8.041 6.184 -3.230) 10.646 8.720 ( -15.266 -13.598 -1.785) 20.522 8.777 ( 2.708 3.779 -7.391) 8.731 9.624 ( -0.712 2.778 5.159) 5.903 9.957 ( 9.422 4.473 0.188) 10.432 10.063 ( 3.566 1.534 -2.730) 4.746 10.228 ( 1.420 4.931 -1.179) 5.265 10.565 ( -13.064 -15.974 4.058) 21.031 10.810 ( -15.029 -11.445 2.545) 19.061 11.618 ( 1.669 0.464 -1.230) 2.124 11.822 ( -0.274 1.226 -0.006) 1.256 11.998 ( -0.577 -0.282 1.101) 1.275 12.348 ( 0.444 -3.884 3.664) 5.358 12.559 ( -1.093 4.594 -1.807) 5.056 12.812 ( 2.788 1.035 -1.336) 3.261 13.107 ( -0.415 0.002 -1.042) 1.121 13.204 ( 1.355 -2.037 2.077) 3.209 13.372 ( 1.837 1.996 0.338) 2.733 13.582 ( 1.116 3.442 1.760) 4.024 13.633 ( 3.412 1.361 -4.670) 5.942 13.944 ( 4.510 3.147 -2.756) 6.151 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -18.565 -11.246 9.606) 23.736 2.758 ( -7.576 -2.313 16.509) 18.311 3.057 ( -9.507 -5.894 -9.974) 14.987 3.197 ( 6.352 0.560 -11.629) 13.263 3.624 ( 0.168 4.742 2.398) 5.317 3.711 ( 3.186 4.664 4.845) 7.442 4.398 ( -2.154 4.264 0.225) 4.783 4.509 ( -0.882 -1.042 8.410) 8.520 4.736 ( 0.051 -2.396 -0.466) 2.442 4.983 ( -7.693 -3.237 -0.481) 8.360 5.158 ( 0.498 -1.478 7.571) 7.730 5.294 ( -3.925 -3.768 4.203) 6.875 5.622 ( 1.640 -3.183 1.195) 3.775 5.799 ( -3.704 -4.934 4.554) 7.668 5.937 ( -6.383 2.102 -6.082) 9.064 6.193 ( 2.206 0.391 2.800) 3.586 6.355 ( 3.156 -1.901 1.685) 4.052 6.398 ( 1.101 2.655 -8.104) 8.599 6.671 ( 4.800 -3.720 -3.265) 6.895 6.907 ( 3.763 -1.210 5.572) 6.832 6.968 ( 7.331 3.144 1.178) 8.063 7.429 ( 0.286 10.416 -3.581) 11.018 8.177 ( -1.518 0.512 1.621) 2.279 8.226 ( 1.176 6.173 -0.594) 6.312 8.403 ( -6.670 -6.613 -3.561) 10.045 8.427 ( 5.028 1.087 -1.564) 5.376 8.819 ( 2.414 5.213 -8.141) 9.964 9.672 ( -0.864 2.507 5.008) 5.667 10.117 ( -0.991 -7.610 -0.818) 7.717 10.190 ( 5.080 3.070 0.023) 5.935 10.205 ( 6.641 -0.815 1.044) 6.772 10.318 ( -4.242 -0.253 1.733) 4.589 10.491 ( -12.930 -6.255 0.074) 14.364 11.654 ( 2.284 0.919 -0.615) 2.538 11.802 ( -1.752 0.581 -2.814) 3.366 12.007 ( 0.101 0.197 2.227) 2.238 12.332 ( 0.893 -5.737 3.174) 6.617 12.535 ( -4.379 3.551 -1.957) 5.967 12.870 ( 3.064 0.837 0.079) 3.177 13.080 ( -1.762 0.431 -0.911) 2.030 13.251 ( 3.760 -1.286 1.951) 4.427 13.414 ( 1.182 0.435 0.728) 1.455 13.612 ( -1.085 0.314 2.226) 2.496 13.666 ( 1.739 2.440 -5.509) 6.271 14.021 ( 3.700 1.891 -2.799) 5.010 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -7.487 2.666 31.463) 32.451 2.381 ( 0.812 9.166 29.604) 31.001 3.395 ( -2.113 -8.184 0.282) 8.457 3.579 ( -3.780 8.008 9.793) 13.203 3.705 ( 7.619 4.020 -2.083) 8.863 3.806 ( -0.572 -3.995 -8.069) 9.021 4.034 ( -0.948 5.449 12.736) 13.885 4.237 ( -3.552 5.896 3.481) 7.713 4.618 ( 0.013 1.289 14.191) 14.249 4.954 ( 5.057 -8.580 -2.670) 10.311 5.421 ( 3.002 1.403 4.721) 5.767 5.428 ( -1.471 1.263 3.974) 4.422 5.679 ( -5.416 2.141 -0.106) 5.825 5.915 ( 3.422 -0.768 -1.110) 3.679 6.070 ( -9.877 -0.952 -4.452) 10.876 6.203 ( 0.797 -5.510 -9.394) 10.920 6.309 ( 1.153 -7.250 2.680) 7.815 6.384 ( 2.673 6.947 -2.190) 7.759 6.617 ( 4.610 8.715 -4.204) 10.718 6.695 ( -1.403 4.648 -7.990) 9.349 7.023 ( 4.534 -12.253 -2.439) 13.291 7.437 ( 6.855 1.591 -4.853) 8.549 7.852 ( -8.904 2.284 4.172) 10.095 7.881 ( -8.383 3.776 -4.909) 10.423 8.126 ( -1.430 10.965 -3.432) 11.578 8.582 ( -2.652 0.341 -5.788) 6.376 9.561 ( 0.627 0.371 3.179) 3.262 9.658 ( 7.707 -14.463 1.504) 16.457 9.806 ( 10.775 -15.821 6.212) 20.125 9.948 ( -1.414 3.756 0.299) 4.025 9.995 ( -3.072 2.119 -0.710) 3.799 11.132 ( 4.992 -8.778 4.234) 10.950 11.473 ( 7.091 -12.277 9.758) 17.212 11.713 ( 3.794 -6.610 -0.077) 7.622 11.801 ( 0.402 0.111 0.726) 0.837 12.008 ( 1.349 -1.157 1.041) 2.060 12.206 ( -2.101 1.869 1.475) 3.175 12.416 ( -3.934 4.449 2.103) 6.300 12.789 ( -2.128 4.697 -6.933) 8.641 13.092 ( -0.316 -0.911 1.225) 1.559 13.238 ( -1.030 2.471 -0.996) 2.856 13.302 ( -1.508 5.251 1.153) 5.584 13.401 ( 3.612 -0.967 -3.956) 5.443 13.591 ( -2.940 1.662 -4.328) 5.490 13.744 ( -8.905 12.390 -8.987) 17.708 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.045 2.134 30.136) 30.365 2.722 ( 4.987 13.018 22.754) 26.685 3.279 ( -0.810 -10.872 1.054) 10.953 3.576 ( -1.114 -1.727 -7.152) 7.441 3.709 ( -0.735 -4.272 -7.027) 8.256 3.848 ( 0.388 10.584 -4.861) 11.654 4.171 ( 0.422 5.683 11.662) 12.979 4.273 ( -2.340 5.073 13.099) 14.240 4.746 ( 2.491 0.895 17.728) 17.925 4.948 ( 5.964 -6.372 -8.185) 11.965 5.440 ( -6.904 0.317 0.944) 6.975 5.531 ( 3.289 6.588 10.939) 13.187 5.580 ( 2.049 -0.262 -15.725) 15.861 5.888 ( -6.372 -2.369 -3.449) 7.623 5.987 ( 0.611 -2.082 -0.746) 2.294 6.087 ( 1.169 -1.744 9.569) 9.796 6.283 ( -0.400 -5.868 3.712) 6.955 6.514 ( 1.180 6.842 -7.776) 10.424 6.641 ( -1.353 6.971 -8.456) 11.042 6.682 ( 0.888 3.597 -10.042) 10.704 6.987 ( 0.759 -8.550 0.865) 8.627 7.444 ( 2.817 -1.830 -7.997) 8.674 7.759 ( -7.900 3.702 5.296) 10.206 7.910 ( 4.572 8.138 -0.900) 9.378 8.181 ( -0.253 7.758 -4.710) 9.079 8.552 ( 1.583 0.972 -2.820) 3.377 9.541 ( -0.338 -18.032 3.538) 18.379 9.627 ( 3.006 -6.913 1.163) 7.628 9.801 ( -1.001 -3.660 2.595) 4.597 9.983 ( 1.785 3.008 0.196) 3.503 9.995 ( 0.002 4.467 -1.022) 4.582 11.094 ( -0.431 -11.825 3.360) 12.301 11.452 ( 0.888 -21.020 9.567) 23.112 11.641 ( -1.516 -6.043 -1.893) 6.512 11.797 ( -0.922 -0.019 0.864) 1.264 12.034 ( 0.900 0.119 0.715) 1.155 12.261 ( 1.697 5.974 1.842) 6.478 12.418 ( -0.582 2.718 1.756) 3.287 12.773 ( -0.816 4.500 -5.176) 6.907 13.088 ( 0.035 -0.776 1.105) 1.351 13.264 ( 0.956 2.915 -0.801) 3.171 13.343 ( -2.531 3.545 -3.333) 5.484 13.409 ( 0.925 3.662 -0.142) 3.780 13.545 ( -0.539 1.479 -1.707) 2.322 13.720 ( -1.547 10.300 -7.143) 12.630 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 2.641 3.923 28.293) 28.686 3.034 ( 4.265 10.459 10.876) 15.680 3.167 ( -0.951 -13.235 5.259) 14.274 3.467 ( -3.205 -0.265 -8.026) 8.647 3.578 ( -1.015 -6.912 -10.339) 12.478 3.845 ( -3.841 4.193 -11.657) 12.970 4.230 ( -0.516 4.064 2.058) 4.585 4.468 ( 0.908 7.362 22.745) 23.924 4.868 ( 2.429 -2.084 -4.880) 5.836 4.985 ( 5.318 -0.843 12.344) 13.467 5.263 ( -7.545 -0.514 -7.527) 10.670 5.498 ( -0.805 -6.606 -14.572) 16.020 5.670 ( -1.779 1.226 11.214) 11.420 5.856 ( 0.190 2.765 4.991) 5.709 5.959 ( 4.935 3.258 -3.352) 6.798 6.197 ( -3.705 -5.510 -2.775) 7.196 6.286 ( 6.918 2.982 12.434) 14.538 6.453 ( -3.063 0.579 -1.740) 3.570 6.630 ( -0.845 0.980 -10.255) 10.336 6.714 ( 2.616 7.163 -6.207) 9.833 6.827 ( -9.809 -4.674 0.616) 10.883 7.480 ( 3.393 4.077 -8.466) 9.990 7.779 ( 4.093 2.668 4.714) 6.789 8.068 ( 4.562 6.680 1.244) 8.184 8.210 ( 0.032 4.805 -4.445) 6.546 8.602 ( 4.680 -0.030 -2.246) 5.191 9.231 ( -8.847 -27.007 0.825) 28.431 9.655 ( -0.735 4.822 1.753) 5.183 9.788 ( 0.315 2.304 -1.234) 2.633 10.023 ( 0.268 3.369 -1.740) 3.801 10.101 ( 4.857 6.255 0.813) 7.961 10.924 ( -6.527 -15.927 3.273) 17.521 11.209 ( -6.970 -22.825 5.523) 24.496 11.596 ( 0.131 -0.902 -0.793) 1.208 11.804 ( 0.694 0.475 1.909) 2.086 12.029 ( -1.107 -0.458 -0.806) 1.444 12.325 ( -0.052 0.851 0.860) 1.211 12.505 ( 4.215 5.120 3.075) 7.310 12.777 ( -0.452 3.716 -3.884) 5.394 13.090 ( 0.365 -0.857 0.959) 1.337 13.244 ( -3.447 -0.060 -2.551) 4.289 13.323 ( 0.412 3.129 -0.870) 3.274 13.502 ( 3.161 4.759 0.092) 5.714 13.560 ( 0.208 2.377 -1.063) 2.612 13.798 ( 3.722 7.612 -2.542) 8.846 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 4.554 3.763 25.886) 26.552 3.005 ( -4.488 -14.224 6.848) 16.412 3.112 ( -2.173 -1.814 -10.637) 11.007 3.448 ( -3.789 1.179 -0.960) 4.083 3.476 ( 3.747 -0.806 -10.663) 11.331 3.705 ( -4.319 4.222 -5.103) 7.907 4.303 ( 3.767 2.462 1.020) 4.614 4.637 ( -3.658 5.596 13.943) 15.463 4.807 ( -1.134 -1.232 -5.954) 6.185 5.074 ( -0.606 -1.680 -5.035) 5.343 5.205 ( -0.551 -1.876 14.158) 14.293 5.289 ( -0.404 -6.055 -14.045) 15.300 5.702 ( -3.481 -0.413 9.474) 10.102 5.877 ( 0.526 -6.759 6.100) 9.120 6.024 ( -4.744 2.029 -3.586) 6.283 6.141 ( 6.508 3.131 -7.451) 10.377 6.430 ( 1.991 1.376 0.621) 2.498 6.447 ( -3.364 3.932 2.364) 5.690 6.518 ( -5.490 -4.754 -1.902) 7.507 6.735 ( 5.240 -0.531 2.891) 6.009 6.792 ( 1.836 5.458 -0.989) 5.843 7.500 ( -2.544 8.211 -4.669) 9.782 7.968 ( 11.253 2.078 1.822) 11.588 8.191 ( 2.405 2.191 1.289) 3.499 8.247 ( 2.282 6.536 -2.333) 7.306 8.651 ( 3.854 -3.275 -3.549) 6.179 8.815 ( -11.295 -16.762 -3.342) 20.487 9.704 ( -1.399 6.724 1.402) 7.010 9.860 ( 6.325 3.492 -1.868) 7.463 10.039 ( -0.194 2.016 -1.472) 2.504 10.243 ( 3.142 6.535 -0.019) 7.252 10.626 ( -10.559 -17.757 3.958) 21.035 10.905 ( -9.294 -16.167 2.453) 18.809 11.602 ( 0.780 0.954 -0.008) 1.233 11.842 ( 0.630 1.382 1.456) 2.104 11.991 ( -0.558 -1.967 -1.200) 2.371 12.310 ( -0.412 -2.727 0.091) 2.760 12.632 ( 1.252 5.974 1.872) 6.385 12.780 ( 0.421 1.456 -1.727) 2.298 13.096 ( 0.871 -0.338 -0.367) 1.004 13.194 ( -1.323 -1.082 1.283) 2.137 13.355 ( 1.553 1.218 -1.077) 2.249 13.575 ( 1.591 0.347 -0.818) 1.822 13.598 ( 2.219 5.163 -1.196) 5.746 13.927 ( 3.112 6.417 0.858) 7.183 ======================= Grid point 207 (103/125) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.064 -7.324 -6.792) 9.989 2.828 ( -12.019 -11.833 13.636) 21.689 3.101 ( 5.871 4.092 11.246) 13.330 3.190 ( -14.603 -4.361 -6.395) 16.528 3.500 ( 5.469 3.509 -12.203) 13.826 3.833 ( 4.595 7.890 3.987) 9.963 4.392 ( 3.383 -0.714 5.004) 6.082 4.589 ( -4.511 0.030 -12.841) 13.610 4.745 ( -6.761 -1.604 8.523) 10.997 5.017 ( 0.391 0.515 -5.848) 5.883 5.137 ( 0.419 -5.498 3.863) 6.733 5.377 ( 2.441 1.699 13.633) 13.954 5.624 ( -5.626 -7.689 1.223) 9.606 5.798 ( -0.082 -3.553 0.947) 3.678 6.064 ( 0.251 0.436 9.403) 9.416 6.100 ( -4.573 0.757 -16.206) 16.856 6.311 ( -2.268 -1.785 -3.572) 4.593 6.441 ( -2.247 -1.309 2.202) 3.407 6.550 ( 4.144 0.576 -3.036) 5.169 6.834 ( 4.765 3.003 -0.837) 5.695 6.934 ( 5.172 2.076 8.183) 9.900 7.515 ( -1.731 8.159 -3.848) 9.185 8.171 ( 6.393 2.673 3.488) 7.757 8.241 ( 2.654 3.722 -0.502) 4.598 8.343 ( 3.055 2.852 -2.766) 5.012 8.429 ( -8.287 -12.439 -2.265) 15.117 8.755 ( 5.586 4.234 -4.991) 8.605 9.752 ( -1.594 6.322 1.347) 6.658 10.006 ( 6.084 2.039 -8.201) 10.413 10.075 ( 6.058 0.101 7.018) 9.272 10.234 ( -7.449 -8.581 0.542) 11.376 10.396 ( -3.327 0.047 1.670) 3.723 10.621 ( -10.242 -9.777 0.980) 14.193 11.639 ( 1.417 2.157 0.707) 2.676 11.833 ( -2.759 0.987 -2.698) 3.983 11.988 ( 2.376 -2.035 1.565) 3.498 12.271 ( 0.219 -4.571 -0.031) 4.576 12.658 ( -4.869 5.345 0.214) 7.234 12.818 ( 3.660 -0.430 0.409) 3.707 13.103 ( -0.155 1.045 -1.160) 1.569 13.190 ( 1.535 -2.610 2.350) 3.833 13.386 ( 2.032 0.003 -0.956) 2.246 13.596 ( 1.748 -1.325 -0.078) 2.195 13.668 ( 0.711 5.588 -1.979) 5.971 14.016 ( 0.485 4.354 0.794) 4.452 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -8.193 7.998 27.296) 29.600 2.621 ( -2.219 0.282 26.417) 26.512 3.303 ( -0.044 -6.310 -8.931) 10.936 3.534 ( 6.063 -1.085 -4.093) 7.396 3.656 ( 10.087 3.718 -1.883) 10.914 3.743 ( -3.339 -5.031 -10.622) 12.218 4.185 ( -0.001 8.117 8.226) 11.556 4.364 ( -1.779 3.930 7.886) 8.989 4.755 ( -3.254 -0.641 14.830) 15.197 4.833 ( 0.140 -6.070 2.620) 6.612 5.359 ( 3.973 3.976 -8.958) 10.576 5.518 ( -1.085 1.765 9.761) 9.978 5.779 ( -4.405 0.272 0.215) 4.418 5.890 ( -1.083 -3.843 8.597) 9.479 6.058 ( 3.288 -9.074 -10.918) 14.573 6.113 ( 4.875 -1.467 -10.441) 11.616 6.153 ( 2.406 0.312 4.433) 5.053 6.447 ( -3.077 4.786 0.521) 5.714 6.668 ( 4.942 0.212 -0.354) 4.959 6.727 ( -5.533 10.849 -0.681) 12.198 6.911 ( -5.416 -7.522 -4.882) 10.476 7.315 ( 7.486 7.248 -4.891) 11.510 8.013 ( -7.736 0.926 -6.142) 9.921 8.050 ( -7.418 3.131 4.328) 9.141 8.219 ( -2.198 7.319 -4.819) 9.034 8.615 ( -4.518 -0.268 -3.645) 5.811 9.135 ( 20.212 -25.397 5.765) 32.966 9.588 ( 0.633 2.188 5.188) 5.666 9.771 ( -3.841 1.018 -3.597) 5.360 10.043 ( -2.874 4.803 1.845) 5.893 10.092 ( -4.531 3.792 -0.531) 5.932 10.930 ( 10.086 -11.451 3.271) 15.606 11.195 ( 14.291 -14.873 5.432) 21.330 11.640 ( 0.294 -0.208 -2.410) 2.437 11.812 ( -0.287 1.372 0.858) 1.643 11.981 ( 1.549 -1.569 1.342) 2.581 12.255 ( -1.698 -1.197 3.773) 4.307 12.554 ( -4.275 5.155 1.514) 6.866 12.805 ( -0.623 2.297 -5.522) 6.013 13.097 ( -0.656 -0.909 0.587) 1.265 13.274 ( -0.453 1.672 0.554) 1.819 13.306 ( 2.275 -1.113 -3.644) 4.438 13.411 ( -3.960 4.124 3.054) 6.482 13.623 ( -2.447 1.694 -4.719) 5.579 13.924 ( -5.985 8.340 -7.318) 12.606 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -7.675 1.493 26.849) 27.965 2.894 ( 4.106 10.312 20.587) 23.389 3.193 ( -0.271 -7.364 -3.266) 8.060 3.489 ( 0.519 -5.312 -9.411) 10.820 3.598 ( 0.138 -6.270 -10.088) 11.878 3.847 ( 5.560 6.182 -9.775) 12.833 4.284 ( 0.599 5.120 5.558) 7.581 4.431 ( -2.086 4.502 9.446) 10.670 4.785 ( 0.865 -4.471 12.423) 13.231 4.857 ( 1.415 0.355 7.943) 8.076 5.388 ( 4.773 0.406 -14.867) 15.620 5.524 ( -3.806 -0.128 -2.098) 4.348 5.699 ( -6.142 5.868 2.907) 8.978 5.890 ( -3.290 -4.486 0.478) 5.583 5.978 ( 3.249 -1.889 2.507) 4.518 6.070 ( 3.375 -5.567 5.094) 8.266 6.295 ( 0.319 0.865 6.181) 6.249 6.475 ( 4.424 5.938 -8.841) 11.532 6.687 ( -6.735 -5.016 -9.503) 12.682 6.698 ( -1.255 7.888 -4.543) 9.189 6.840 ( 6.713 2.183 2.494) 7.487 7.398 ( -1.453 0.018 -5.712) 5.894 7.939 ( -0.784 7.249 -1.532) 7.450 7.980 ( -7.974 4.718 5.389) 10.718 8.227 ( -0.951 5.535 -5.051) 7.554 8.558 ( -1.749 0.718 0.794) 2.051 9.167 ( 11.416 -29.700 4.218) 32.097 9.659 ( 0.154 5.356 3.694) 6.509 9.754 ( 2.510 1.047 -2.931) 3.999 10.042 ( -1.244 3.799 -1.731) 4.357 10.073 ( -4.487 5.703 2.484) 7.670 10.946 ( 5.024 -14.639 2.151) 15.626 11.218 ( 6.028 -21.636 4.169) 22.844 11.613 ( -0.830 -1.434 -1.579) 2.288 11.814 ( -0.916 -0.242 0.710) 1.184 12.015 ( 1.988 0.144 0.875) 2.177 12.292 ( 2.680 2.488 4.074) 5.475 12.508 ( -6.029 3.265 0.167) 6.858 12.793 ( -0.380 3.182 -4.235) 5.311 13.087 ( -0.100 -0.824 1.038) 1.329 13.275 ( 0.054 1.826 -2.072) 2.762 13.348 ( 3.388 1.035 -1.783) 3.966 13.438 ( -1.275 5.216 2.381) 5.874 13.573 ( -1.779 1.760 -2.668) 3.658 13.854 ( -6.441 8.134 -5.870) 11.922 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -1.190 3.339 27.088) 27.319 3.070 ( -0.111 -7.967 2.209) 8.269 3.136 ( -0.064 3.652 2.367) 4.352 3.429 ( 2.421 -2.780 -10.801) 11.413 3.460 ( -0.432 -7.078 -0.832) 7.140 3.824 ( -1.886 3.255 -16.668) 17.088 4.328 ( -2.756 0.720 1.356) 3.155 4.552 ( 5.285 5.533 5.889) 9.656 4.805 ( 0.692 0.675 -0.929) 1.341 5.009 ( 4.114 -1.886 21.743) 22.209 5.276 ( -4.438 -1.480 -17.397) 18.015 5.408 ( -2.840 -3.569 -6.687) 8.094 5.724 ( -1.288 -2.571 7.927) 8.433 5.868 ( 4.370 3.977 -2.843) 6.558 5.995 ( -2.513 4.091 2.085) 5.234 6.217 ( 3.336 -3.838 10.050) 11.263 6.251 ( 0.192 -0.352 0.819) 0.912 6.464 ( -5.370 -5.110 -7.195) 10.330 6.581 ( 3.674 5.281 -3.546) 7.346 6.745 ( -0.653 10.240 -5.465) 11.625 6.951 ( -1.581 -0.475 3.144) 3.551 7.307 ( 3.842 1.414 -12.079) 12.754 7.918 ( -6.930 2.322 9.627) 12.087 8.082 ( 3.462 9.286 0.851) 9.947 8.234 ( -0.455 4.589 -3.782) 5.963 8.563 ( -0.175 0.107 3.237) 3.243 9.011 ( 2.107 -27.600 0.487) 27.685 9.736 ( 0.747 5.447 0.562) 5.527 9.790 ( -0.065 4.982 -3.679) 6.193 10.073 ( -2.376 4.177 1.737) 5.110 10.097 ( 3.100 5.991 -0.044) 6.746 10.843 ( -0.623 -17.105 1.689) 17.200 11.052 ( -0.195 -24.389 2.486) 24.516 11.589 ( -0.252 -0.011 0.282) 0.378 11.804 ( 0.173 -0.373 0.721) 0.829 12.032 ( -0.333 -0.256 -1.075) 1.154 12.392 ( -2.254 2.838 3.788) 5.242 12.470 ( 3.430 1.746 -0.487) 3.879 12.800 ( -0.251 3.470 -2.552) 4.314 13.084 ( -0.086 -1.332 1.437) 1.961 13.278 ( -0.342 1.191 -2.096) 2.435 13.363 ( -2.619 3.103 -3.232) 5.189 13.493 ( 2.529 3.358 2.035) 4.671 13.588 ( -0.300 3.372 -0.867) 3.494 13.835 ( -0.624 7.212 -0.834) 7.287 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 0.928 1.569 21.218) 21.296 2.908 ( -1.707 -15.292 2.690) 15.620 3.124 ( -2.870 -3.789 1.436) 4.966 3.293 ( 3.590 -1.223 -21.504) 21.836 3.554 ( -0.369 4.044 8.764) 9.659 3.693 ( -1.515 0.862 -15.726) 15.822 4.294 ( 0.041 -0.573 -0.185) 0.604 4.671 ( 1.853 3.627 -8.946) 9.830 4.850 ( 3.752 2.300 0.890) 4.490 5.086 ( -8.082 0.248 3.798) 8.933 5.179 ( 4.352 -3.425 1.713) 5.797 5.258 ( -3.870 -6.878 3.307) 8.557 5.728 ( -0.132 -5.444 6.466) 8.454 5.887 ( -0.110 -2.496 -7.163) 7.586 6.047 ( -0.037 2.791 -2.283) 3.606 6.130 ( -3.810 2.785 -1.989) 5.121 6.332 ( 1.183 0.267 -7.495) 7.593 6.403 ( 5.792 -1.965 6.438) 8.880 6.692 ( 1.299 0.872 1.805) 2.388 6.775 ( -6.652 6.249 6.452) 11.177 6.830 ( -4.890 4.603 -2.526) 7.175 7.445 ( 11.583 5.321 -10.423) 16.466 7.920 ( -0.837 1.578 8.922) 9.099 8.193 ( 1.350 3.014 0.845) 3.409 8.278 ( 1.043 6.885 -0.215) 6.967 8.577 ( 0.215 -3.095 2.658) 4.086 8.748 ( -4.008 -17.765 -3.014) 18.459 9.778 ( 3.551 1.512 -6.096) 7.216 9.834 ( -2.984 11.051 0.597) 11.463 10.082 ( -1.767 2.681 1.589) 3.583 10.245 ( 4.792 7.544 -0.176) 8.939 10.615 ( -6.396 -18.383 2.392) 19.610 10.828 ( -1.546 -19.938 1.222) 20.035 11.606 ( 0.615 1.370 1.524) 2.139 11.831 ( 2.346 0.157 1.393) 2.733 11.986 ( -2.421 -1.459 -2.794) 3.974 12.336 ( -4.217 -0.187 -0.680) 4.276 12.605 ( 6.751 1.373 2.126) 7.210 12.811 ( -1.247 3.140 -1.418) 3.664 13.077 ( 0.254 -1.632 0.861) 1.862 13.250 ( -3.490 1.979 -0.170) 4.015 13.341 ( -0.086 1.294 -2.017) 2.398 13.575 ( -1.217 0.426 -0.256) 1.314 13.601 ( 3.075 5.237 0.147) 6.075 13.950 ( 3.423 6.552 2.962) 7.964 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -1.933 -15.426 -11.466) 19.318 2.937 ( -5.418 -16.844 14.270) 22.731 3.155 ( 2.791 6.484 9.929) 12.182 3.263 ( 2.668 2.308 -4.170) 5.462 3.471 ( -5.649 3.924 -8.438) 10.886 3.748 ( 7.024 3.893 -6.887) 10.580 4.328 ( 4.794 -3.759 1.989) 6.408 4.589 ( -5.249 1.431 -11.687) 12.891 4.929 ( 5.072 0.671 -6.539) 8.303 4.954 ( -10.118 1.156 0.839) 10.218 5.153 ( -1.839 -1.500 11.240) 11.488 5.313 ( 7.990 -10.160 9.604) 16.103 5.627 ( -5.200 -6.070 -0.778) 8.030 5.817 ( -1.649 -0.693 -5.090) 5.395 6.018 ( -0.142 -0.284 -11.860) 11.864 6.091 ( 1.652 -2.015 1.631) 3.074 6.347 ( -1.939 0.414 -3.237) 3.796 6.493 ( 0.366 -2.856 5.810) 6.484 6.566 ( -7.451 6.927 1.427) 10.273 6.828 ( 0.366 5.492 -1.288) 5.653 6.920 ( 4.069 1.829 7.942) 9.109 7.564 ( 1.958 5.143 -4.876) 7.352 8.060 ( 9.782 2.398 4.049) 10.855 8.236 ( 1.544 1.727 1.413) 2.714 8.346 ( -0.628 2.907 -1.121) 3.178 8.414 ( -6.189 -11.779 -2.338) 13.510 8.691 ( 3.998 3.798 1.443) 5.700 9.845 ( 5.919 2.634 -6.203) 8.969 9.889 ( -2.073 9.316 -1.185) 9.617 10.087 ( -1.299 0.506 4.527) 4.736 10.266 ( -6.519 -10.507 1.115) 12.415 10.437 ( 0.025 1.749 -0.547) 1.833 10.629 ( -3.298 -13.576 0.745) 13.991 11.652 ( 1.085 2.798 2.185) 3.712 11.874 ( -2.171 1.256 -1.774) 3.072 11.919 ( 2.495 -3.427 -0.041) 4.239 12.258 ( -2.855 -1.946 -1.210) 3.661 12.725 ( 5.687 -0.124 0.730) 5.736 12.791 ( -3.826 2.444 -0.312) 4.551 13.078 ( 1.339 -1.148 -0.134) 1.769 13.215 ( -3.106 1.291 1.475) 3.673 13.352 ( 1.309 0.785 -1.262) 1.981 13.562 ( 0.661 -1.279 0.165) 1.449 13.701 ( 1.661 5.711 0.244) 5.953 14.063 ( 0.976 4.546 2.376) 5.221 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 6.697 -9.532 17.125) 20.712 2.826 ( -5.256 7.423 21.871) 23.687 3.229 ( -1.249 -3.205 -3.068) 4.610 3.374 ( 8.366 -1.910 -21.921) 23.541 3.446 ( 8.082 1.634 5.600) 9.968 3.699 ( -4.128 -2.987 -7.962) 9.453 4.261 ( 3.201 4.436 3.409) 6.446 4.477 ( -3.266 1.213 9.976) 10.567 4.771 ( 4.041 2.360 5.367) 7.120 4.944 ( -7.189 -3.406 10.971) 13.552 5.282 ( 2.344 1.931 -8.695) 9.210 5.526 ( 8.569 -4.024 -0.457) 9.478 5.716 ( 6.939 -2.261 -2.498) 7.713 5.800 ( 1.617 -7.357 0.343) 7.540 6.014 ( 0.933 -2.932 -1.468) 3.409 6.053 ( -4.310 3.100 6.172) 8.141 6.205 ( -3.817 1.177 6.148) 7.331 6.527 ( 1.250 3.348 -6.838) 7.716 6.624 ( -3.910 -0.964 7.256) 8.299 6.844 ( -1.900 1.715 -4.160) 4.885 6.952 ( -6.210 -0.520 -6.580) 9.062 7.320 ( 1.888 13.004 1.069) 13.184 8.064 ( -3.164 -1.367 -6.445) 7.308 8.186 ( -2.362 2.979 1.915) 4.257 8.305 ( -5.131 4.101 -2.997) 7.220 8.634 ( 7.682 -9.361 -1.918) 12.260 8.700 ( 1.853 -6.683 0.460) 6.950 9.644 ( 0.844 3.863 7.025) 8.062 9.873 ( -9.668 1.369 -3.391) 10.337 10.126 ( -3.311 0.856 -2.048) 3.986 10.220 ( -3.769 7.360 2.267) 8.575 10.625 ( 13.234 -12.874 1.423) 18.518 10.829 ( 15.782 -10.771 0.973) 19.133 11.646 ( -1.498 1.624 -2.562) 3.383 11.840 ( 0.004 2.322 0.326) 2.345 11.942 ( 1.197 -3.108 1.713) 3.745 12.289 ( -1.737 -3.090 4.070) 5.397 12.637 ( 1.462 5.108 -0.760) 5.367 12.812 ( -2.251 0.427 -1.829) 2.932 13.093 ( 0.423 -1.006 -0.996) 1.478 13.250 ( 0.107 -0.528 0.958) 1.099 13.323 ( -2.477 0.554 -0.871) 2.683 13.526 ( -2.619 1.888 3.272) 4.597 13.656 ( -2.965 2.451 -4.303) 5.772 14.024 ( -2.994 5.457 -4.739) 7.823 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -1.344 -6.487 18.517) 19.666 3.040 ( 1.782 7.989 17.096) 18.954 3.134 ( -2.206 -1.091 -3.953) 4.657 3.327 ( 4.449 -6.084 -16.066) 17.746 3.483 ( -1.190 -7.987 -7.795) 11.224 3.712 ( 7.620 5.917 -1.944) 9.841 4.369 ( -1.109 6.909 -3.500) 7.823 4.491 ( 1.241 -2.410 11.151) 11.475 4.858 ( -6.370 -4.952 10.670) 13.377 4.897 ( 2.905 2.888 8.013) 8.999 5.255 ( 2.181 0.439 -12.534) 12.730 5.525 ( 0.375 0.158 -15.475) 15.481 5.799 ( -0.491 -1.037 0.491) 1.248 5.825 ( 11.094 -9.190 12.296) 18.940 5.928 ( -4.672 -4.886 2.808) 7.320 6.061 ( -2.493 6.075 -0.418) 6.580 6.319 ( 6.211 7.578 6.809) 11.932 6.469 ( -5.385 -3.665 0.700) 6.551 6.597 ( 0.779 -6.931 -5.296) 8.757 6.746 ( -2.885 2.510 -2.884) 4.789 6.906 ( -1.433 8.416 -6.339) 10.634 7.434 ( -2.897 4.622 0.904) 5.529 8.017 ( -0.711 8.095 -3.455) 8.830 8.169 ( -5.010 2.806 4.139) 7.078 8.263 ( -2.171 3.956 -3.669) 5.816 8.614 ( -1.283 2.139 0.285) 2.511 8.738 ( 11.430 -20.888 4.868) 24.304 9.735 ( -2.942 3.186 0.403) 4.356 9.765 ( -0.541 5.425 3.366) 6.407 10.078 ( -1.457 2.110 -3.467) 4.312 10.227 ( -4.815 5.752 1.826) 7.720 10.673 ( 9.432 -16.526 -0.675) 19.040 10.918 ( 8.975 -16.223 0.809) 18.558 11.620 ( -1.358 0.973 -1.697) 2.381 11.839 ( -1.770 -0.491 1.204) 2.196 11.978 ( 3.249 0.190 0.569) 3.304 12.282 ( 1.596 -0.997 2.915) 3.470 12.647 ( -5.818 3.020 0.143) 6.557 12.791 ( 0.873 1.609 -2.551) 3.140 13.087 ( 0.030 -0.264 0.433) 0.508 13.240 ( 1.567 -1.178 -3.167) 3.725 13.327 ( 0.767 2.235 1.598) 2.852 13.543 ( -1.747 4.156 3.699) 5.831 13.602 ( -2.826 1.744 -3.021) 4.490 13.981 ( -4.730 4.945 -4.519) 8.200 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 0.158 -1.227 20.588) 20.625 3.011 ( -3.056 -10.755 1.134) 11.238 3.131 ( 0.721 2.132 -16.055) 16.212 3.283 ( -0.462 -9.414 -6.723) 11.578 3.422 ( 5.072 2.047 11.204) 12.468 3.783 ( -1.061 4.543 -14.287) 15.029 4.357 ( -2.137 2.378 -0.266) 3.208 4.569 ( 1.221 0.716 2.326) 2.723 4.788 ( 0.016 -2.599 0.596) 2.666 5.010 ( 3.309 -3.074 9.902) 10.883 5.242 ( 2.276 0.483 -4.367) 4.948 5.396 ( -4.732 1.241 -14.447) 15.253 5.772 ( 2.957 -4.720 -4.477) 7.146 5.814 ( -4.794 -2.445 7.038) 8.859 6.053 ( 2.828 -3.352 8.030) 9.150 6.097 ( 7.349 4.097 1.950) 8.637 6.296 ( -5.817 -4.831 -2.663) 8.017 6.470 ( -3.638 -1.950 -6.760) 7.921 6.553 ( 6.278 5.142 4.806) 9.431 6.808 ( 3.190 6.495 0.319) 7.243 6.928 ( 0.968 5.367 -5.766) 7.936 7.338 ( -8.553 1.727 -2.820) 9.170 8.099 ( -3.602 5.245 4.586) 7.844 8.152 ( -1.415 6.033 2.246) 6.591 8.265 ( -0.330 5.325 -1.825) 5.639 8.639 ( -2.594 2.779 6.749) 7.746 8.696 ( 6.394 -21.040 1.069) 22.016 9.713 ( 0.564 1.199 -4.164) 4.370 9.887 ( 0.257 10.239 4.650) 11.249 10.096 ( 2.387 5.604 -3.551) 7.050 10.196 ( -5.144 3.309 2.114) 6.471 10.622 ( 5.862 -18.451 -1.643) 19.430 10.828 ( 1.517 -19.940 0.450) 20.003 11.607 ( -0.717 1.386 0.147) 1.567 11.807 ( -1.154 -1.330 1.093) 2.072 12.021 ( 1.013 0.410 -0.994) 1.478 12.364 ( 6.261 -0.024 2.236) 6.648 12.541 ( -7.447 0.685 -0.681) 7.509 12.818 ( 0.576 3.074 -1.491) 3.465 13.086 ( -0.506 -0.824 1.233) 1.567 13.253 ( 2.293 0.650 -3.082) 3.896 13.386 ( 1.461 2.726 -0.776) 3.189 13.547 ( -3.047 3.322 3.232) 5.547 13.609 ( 1.051 2.486 -0.215) 2.707 13.928 ( -3.600 4.653 -1.268) 6.018 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -5.336 -18.452 -4.170) 19.655 2.929 ( 3.606 -8.068 10.953) 14.074 3.116 ( 0.329 -4.693 1.854) 5.057 3.122 ( 0.925 3.858 -8.910) 9.754 3.616 ( 2.492 2.673 -0.884) 3.760 3.651 ( -3.016 3.482 -7.574) 8.865 4.303 ( -4.354 -0.758 -1.653) 4.718 4.595 ( 3.373 1.422 -7.974) 8.774 4.800 ( 2.025 1.864 -6.352) 6.923 5.061 ( 3.741 -5.552 3.213) 7.426 5.234 ( -1.790 -6.270 -4.838) 8.119 5.281 ( -3.866 1.508 7.540) 8.606 5.733 ( 3.074 -2.457 -10.439) 11.156 5.793 ( -4.173 -3.491 10.454) 11.785 5.978 ( 1.932 -7.945 -6.518) 10.457 6.202 ( -2.380 1.824 -5.011) 5.840 6.321 ( 3.495 -0.468 10.860) 11.418 6.376 ( -0.876 5.021 -3.971) 6.461 6.692 ( 3.064 2.762 3.851) 5.643 6.876 ( -2.318 8.600 -5.080) 10.254 7.001 ( 0.394 1.467 3.176) 3.521 7.263 ( 2.604 6.694 -5.178) 8.854 8.061 ( -6.621 0.393 8.559) 10.828 8.199 ( 0.874 1.575 -1.379) 2.269 8.342 ( 0.367 7.908 1.918) 8.145 8.544 ( -1.188 -14.473 -0.011) 14.522 8.686 ( -1.392 1.410 6.692) 6.980 9.701 ( 1.435 0.373 -6.971) 7.127 10.007 ( -2.270 12.892 1.605) 13.189 10.160 ( -3.223 1.311 2.643) 4.370 10.227 ( 5.854 8.687 -2.015) 10.668 10.494 ( 0.969 -18.427 -1.192) 18.491 10.638 ( -0.069 -19.198 0.671) 19.210 11.628 ( 0.280 2.166 2.053) 2.998 11.801 ( 1.125 -0.942 0.999) 1.775 12.001 ( -2.054 -0.403 -2.478) 3.244 12.410 ( -4.712 -0.606 -4.015) 6.220 12.501 ( 5.999 -0.897 3.965) 7.247 12.847 ( -0.109 3.215 -0.531) 3.261 13.070 ( -0.639 -1.781 1.423) 2.368 13.280 ( 1.164 1.911 -2.289) 3.201 13.383 ( -2.783 2.262 -1.359) 3.836 13.601 ( -1.149 1.606 -2.540) 3.217 13.612 ( 1.291 2.507 4.729) 5.506 13.977 ( 2.331 5.427 3.229) 6.731 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -5.708 -20.232 -8.410) 22.642 2.809 ( 2.233 -22.590 -1.038) 22.724 3.173 ( 4.230 5.383 -6.370) 9.351 3.272 ( 4.057 5.340 18.310) 19.500 3.484 ( -1.218 0.075 -15.657) 15.704 3.730 ( -1.740 4.317 2.265) 5.177 4.239 ( 0.676 -2.093 -1.627) 2.736 4.589 ( 0.151 0.086 -7.696) 7.698 4.809 ( 4.128 2.081 -10.117) 11.123 5.050 ( -4.614 -0.426 -7.836) 9.103 5.103 ( 4.238 -16.022 4.361) 17.138 5.289 ( -2.530 -2.146 11.550) 12.017 5.649 ( -1.582 -2.918 -7.980) 8.643 5.766 ( -1.706 1.582 3.777) 4.436 5.962 ( 0.419 -4.359 -3.146) 5.392 6.065 ( -2.179 -5.219 -2.948) 6.377 6.397 ( -1.731 9.019 -5.967) 10.952 6.462 ( 3.672 -0.419 8.087) 8.891 6.765 ( -2.513 5.358 3.485) 6.868 6.869 ( -1.313 3.597 -4.675) 6.043 6.992 ( -4.430 3.860 6.738) 8.941 7.460 ( 11.325 6.192 -4.650) 13.719 8.023 ( -1.135 -1.872 6.698) 7.047 8.222 ( 1.850 -0.124 0.903) 2.063 8.374 ( -3.488 -5.186 -0.280) 6.256 8.423 ( -1.948 2.301 0.641) 3.082 8.729 ( -0.601 4.239 6.281) 7.601 9.708 ( 4.695 0.355 -7.452) 8.815 10.062 ( -4.743 8.241 1.947) 9.706 10.150 ( -2.272 1.061 2.212) 3.344 10.258 ( -4.513 -10.914 -0.128) 11.811 10.426 ( 4.601 6.875 -3.610) 9.026 10.495 ( 1.980 -14.962 0.946) 15.122 11.680 ( 0.974 2.913 3.036) 4.319 11.837 ( 3.314 -1.518 0.978) 3.774 11.925 ( -3.923 -0.279 -2.819) 4.839 12.299 ( -4.580 -1.237 -2.883) 5.551 12.605 ( 6.200 -3.095 1.080) 7.014 12.865 ( -1.453 3.372 0.065) 3.673 13.056 ( 0.075 -1.704 1.245) 2.112 13.291 ( -1.516 2.869 -1.772) 3.697 13.356 ( -1.704 1.324 0.775) 2.293 13.550 ( -1.033 -1.480 -0.860) 2.000 13.719 ( 2.764 3.916 2.663) 5.483 14.094 ( 2.279 4.649 2.667) 5.824 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.000 0.000 32.521) 32.521 2.115 ( -0.000 -0.000 32.521) 32.521 3.332 ( -0.000 -0.000 39.191) 39.191 3.605 ( 0.000 0.000 -7.924) 7.924 3.605 ( -0.000 0.000 -7.924) 7.924 3.867 ( 0.000 0.000 -5.384) 5.384 4.047 ( -0.000 0.000 7.097) 7.097 4.047 ( -0.000 -0.000 7.097) 7.097 4.595 ( -0.000 -0.000 13.211) 13.211 5.298 ( 0.000 0.000 0.434) 0.434 5.298 ( -0.000 0.000 0.434) 0.434 5.479 ( 0.000 0.000 -3.059) 3.059 5.605 ( 0.000 0.000 3.662) 3.662 5.605 ( -0.000 -0.000 3.662) 3.662 6.220 ( 0.000 0.000 -3.769) 3.769 6.220 ( -0.000 0.000 -3.769) 3.769 6.418 ( 0.000 0.000 -21.760) 21.760 6.442 ( 0.000 0.000 -2.421) 2.421 6.442 ( -0.000 0.000 -2.421) 2.421 6.621 ( -0.000 -0.000 2.457) 2.457 7.423 ( 0.000 0.000 -3.268) 3.268 7.572 ( 0.000 0.000 -2.192) 2.192 7.572 ( -0.000 -0.000 -2.192) 2.192 7.794 ( 0.000 0.000 -0.107) 0.107 7.794 ( -0.000 0.000 -0.107) 0.107 8.529 ( 0.000 0.000 -7.543) 7.543 9.629 ( 0.000 0.000 2.887) 2.887 9.629 ( -0.000 0.000 2.887) 2.887 9.886 ( 0.000 0.000 -0.793) 0.793 9.886 ( 0.000 -0.000 -0.793) 0.793 10.708 ( -0.000 -0.000 0.353) 0.353 11.297 ( -0.000 -0.000 3.241) 3.241 11.761 ( -0.000 -0.000 0.938) 0.938 11.779 ( 0.000 0.000 0.536) 0.536 11.779 ( 0.000 0.000 0.536) 0.536 12.042 ( -0.000 -0.000 1.122) 1.122 12.329 ( -0.000 0.000 3.139) 3.139 12.329 ( -0.000 0.000 3.139) 3.139 12.524 ( -0.000 -0.000 1.357) 1.357 13.117 ( -0.000 -0.000 2.138) 2.138 13.155 ( 0.000 0.000 -0.699) 0.699 13.155 ( -0.000 -0.000 -0.699) 0.699 13.425 ( 0.000 0.000 -7.163) 7.163 13.425 ( -0.000 0.000 -7.163) 7.163 13.528 ( 0.000 0.000 -0.976) 0.976 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 1.420 -2.805 31.431) 31.588 2.460 ( 5.990 7.586 27.849) 29.478 3.464 ( -3.917 0.189 -11.955) 12.582 3.586 ( 2.616 -2.723 7.679) 8.558 3.594 ( 2.429 1.356 4.467) 5.263 3.820 ( -1.442 -0.187 -4.911) 5.122 4.089 ( -1.064 2.791 12.733) 13.078 4.157 ( 5.160 -0.466 5.974) 7.907 4.717 ( 1.068 1.140 22.629) 22.683 5.130 ( -9.064 1.574 -2.093) 9.435 5.353 ( -2.128 -6.201 -9.587) 11.615 5.480 ( 3.681 3.070 6.358) 7.963 5.628 ( 2.054 3.669 -1.944) 4.632 5.749 ( 10.405 -1.269 0.739) 10.508 6.105 ( -3.716 -0.686 0.159) 3.782 6.195 ( -2.686 -2.028 -14.893) 15.268 6.353 ( 1.669 4.658 -3.742) 6.204 6.385 ( 1.699 -0.370 -3.966) 4.331 6.534 ( 5.914 -0.189 -4.035) 7.162 6.574 ( -6.283 -0.179 0.642) 6.318 7.212 ( -10.172 -6.701 -0.994) 12.221 7.431 ( -8.632 -3.103 -2.887) 9.616 7.749 ( 11.733 3.003 -4.813) 13.033 7.839 ( 5.807 3.490 2.709) 7.297 7.928 ( 6.196 5.635 -2.401) 8.713 8.525 ( 2.901 2.300 -5.359) 6.513 9.593 ( -1.764 -1.712 3.412) 4.206 9.690 ( 0.915 1.481 0.782) 1.908 9.896 ( 1.826 0.838 -0.777) 2.154 9.924 ( 3.204 1.503 -0.254) 3.548 10.337 ( -28.144 -14.462 2.510) 31.741 11.258 ( -4.561 -2.800 2.142) 5.765 11.648 ( -5.110 -1.442 3.699) 6.471 11.778 ( 0.328 -0.618 1.100) 1.303 11.899 ( -6.190 -4.668 7.246) 10.611 12.050 ( -2.694 -1.824 0.790) 3.348 12.197 ( 1.125 3.965 -2.582) 4.864 12.350 ( 1.879 -0.574 2.824) 3.440 12.652 ( 5.944 2.367 -3.987) 7.538 13.113 ( -0.386 -0.575 1.633) 1.774 13.201 ( 2.414 1.748 0.528) 3.027 13.234 ( 4.339 4.122 1.298) 6.124 13.352 ( 0.517 -4.361 -6.313) 7.690 13.510 ( 8.876 6.969 -6.949) 13.253 13.539 ( 2.143 1.029 -2.540) 3.479 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 7.002 -2.061 29.081) 29.983 2.798 ( 5.299 10.210 21.219) 24.137 3.309 ( -5.688 2.009 -17.361) 18.379 3.490 ( 0.015 -7.981 -2.861) 8.479 3.654 ( -4.525 -2.120 -0.313) 5.006 3.772 ( -2.272 -1.067 -3.758) 4.519 4.185 ( 0.762 2.824 11.026) 11.407 4.306 ( 6.488 1.046 8.673) 10.881 4.881 ( -1.875 0.842 16.670) 16.796 5.015 ( -7.494 5.498 2.555) 9.639 5.211 ( 1.867 -6.662 -7.104) 9.917 5.575 ( 0.253 2.471 6.863) 7.299 5.694 ( 4.872 -0.196 -4.936) 6.938 5.865 ( 5.306 -2.633 -6.146) 8.536 6.002 ( 1.903 -1.047 -14.142) 14.308 6.208 ( -3.226 2.719 10.463) 11.281 6.272 ( -5.442 3.890 -0.321) 6.697 6.397 ( -3.365 -4.825 1.656) 6.111 6.541 ( 8.372 4.047 -4.556) 10.355 6.617 ( 3.930 1.021 -3.796) 5.558 7.037 ( -3.159 -5.332 -0.199) 6.201 7.233 ( -8.546 -1.322 -2.237) 8.933 7.937 ( 10.421 4.410 -6.332) 12.967 8.002 ( 6.429 2.163 2.791) 7.335 8.057 ( 5.214 4.998 -3.376) 7.973 8.587 ( 3.424 4.127 -3.993) 6.686 9.532 ( -12.670 -8.905 2.182) 15.639 9.680 ( -13.686 -3.569 5.496) 15.174 9.739 ( -2.003 -1.719 -2.196) 3.434 9.974 ( 3.363 1.069 0.989) 3.665 10.037 ( 3.594 3.287 -1.147) 5.004 11.111 ( -9.789 -6.129 2.269) 11.770 11.498 ( -18.471 -9.858 7.211) 22.144 11.645 ( -4.452 -4.538 -1.767) 6.598 11.793 ( 0.819 0.039 1.039) 1.324 12.020 ( -1.483 0.010 1.289) 1.965 12.318 ( 0.502 6.983 2.392) 7.398 12.434 ( 7.937 -1.303 -0.471) 8.057 12.718 ( 3.771 1.304 -4.150) 5.757 13.114 ( -0.228 -0.170 0.904) 0.948 13.256 ( 1.507 1.545 1.058) 2.404 13.286 ( -0.154 -2.155 -3.660) 4.251 13.369 ( 4.898 5.144 2.308) 7.468 13.562 ( 2.583 0.530 -2.983) 3.981 13.716 ( 10.968 4.646 -6.348) 13.498 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 8.525 -2.060 27.292) 28.667 3.019 ( -4.129 4.619 9.712) 11.520 3.109 ( -2.840 0.625 -21.709) 21.902 3.410 ( -7.141 -4.044 -4.815) 9.515 3.512 ( -4.263 -2.741 10.294) 11.474 3.658 ( -0.222 -2.438 -10.388) 10.673 4.281 ( -0.393 2.877 6.462) 7.084 4.472 ( 5.033 0.749 10.089) 11.299 4.820 ( -5.050 -1.235 0.431) 5.216 5.046 ( 0.035 2.447 6.187) 6.654 5.214 ( 1.527 -0.340 3.131) 3.500 5.515 ( -3.865 -6.952 -18.475) 20.115 5.706 ( 0.285 -2.814 9.427) 9.842 5.922 ( -2.000 0.470 -7.691) 7.961 5.974 ( 7.380 1.204 1.097) 7.558 6.121 ( -9.300 4.215 9.396) 13.876 6.304 ( -1.927 4.409 5.611) 7.391 6.398 ( 3.113 -4.517 -4.770) 7.270 6.657 ( 2.870 -0.332 -0.041) 2.890 6.691 ( 8.820 3.210 -4.139) 10.258 6.990 ( 2.214 -3.612 0.256) 4.244 7.155 ( -0.888 3.772 0.915) 3.981 8.069 ( 0.830 7.041 -6.677) 9.739 8.115 ( 7.731 -0.203 -1.248) 7.834 8.187 ( 6.920 3.205 0.142) 7.627 8.647 ( 1.748 4.244 -5.417) 7.100 8.995 ( -24.740 -13.673 1.765) 28.322 9.651 ( 0.294 -0.572 6.962) 6.991 9.817 ( 5.978 6.443 -4.067) 9.684 10.069 ( 6.330 -0.144 1.741) 6.567 10.125 ( 3.148 3.699 -2.177) 5.323 10.841 ( -14.499 -9.431 1.845) 17.394 11.058 ( -20.422 -12.332 1.744) 23.920 11.608 ( 0.918 -0.186 -1.555) 1.815 11.810 ( 0.505 -0.166 0.087) 0.538 12.003 ( -1.667 0.495 1.725) 2.450 12.380 ( -1.475 4.506 4.285) 6.391 12.515 ( 4.890 -3.249 -3.827) 7.008 12.777 ( 3.342 1.815 -0.641) 3.857 13.106 ( -0.849 -0.250 -0.746) 1.158 13.249 ( 0.434 -1.374 0.999) 1.753 13.323 ( 1.596 3.341 0.849) 3.798 13.508 ( 4.454 3.875 1.713) 6.147 13.592 ( 2.199 0.977 -2.988) 3.836 13.873 ( 7.995 1.941 -4.335) 9.300 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -2.152 -2.533 29.502) 29.688 2.636 ( 2.232 9.800 22.136) 24.311 3.382 ( 2.587 -4.325 -10.836) 11.950 3.526 ( -3.318 2.411 -15.285) 15.825 3.702 ( 0.362 2.595 11.917) 12.202 3.789 ( -0.104 -3.331 -1.888) 3.830 4.156 ( 0.535 1.661 8.766) 8.938 4.228 ( -0.548 5.966 9.766) 11.457 4.871 ( 0.528 0.529 27.078) 27.088 5.078 ( 3.456 -10.059 -3.938) 11.342 5.393 ( -5.412 4.286 -11.084) 13.058 5.452 ( 3.114 1.925 1.717) 4.044 5.577 ( 1.500 -2.426 4.117) 5.008 5.778 ( -4.646 7.940 -1.191) 9.276 6.032 ( 0.110 -4.586 -23.170) 23.620 6.138 ( 2.014 -0.609 7.685) 7.968 6.328 ( -1.252 4.879 -2.651) 5.692 6.412 ( 5.129 0.900 -1.138) 5.330 6.472 ( -5.408 4.850 -5.721) 9.246 6.614 ( 1.782 -3.160 -0.293) 3.640 7.200 ( -0.035 -12.468 -0.907) 12.501 7.495 ( 2.720 -5.793 -3.785) 7.435 7.644 ( -5.176 7.628 -0.638) 9.240 7.808 ( 1.737 3.773 2.548) 4.873 7.965 ( 0.434 11.237 -3.307) 11.721 8.490 ( 0.396 2.662 -3.290) 4.250 9.611 ( -0.658 -2.139 3.383) 4.056 9.698 ( 1.073 1.069 -0.734) 1.683 9.899 ( -0.295 2.919 0.308) 2.950 9.913 ( -0.313 3.055 -0.599) 3.129 10.350 ( 1.115 -30.898 1.685) 30.964 11.269 ( -0.118 -5.128 1.339) 5.301 11.668 ( 0.910 -4.349 2.324) 5.014 11.793 ( -0.435 0.309 0.465) 0.708 11.959 ( -0.603 -4.552 8.322) 9.505 12.060 ( -0.360 -3.797 0.537) 3.852 12.123 ( 1.270 -1.224 -3.008) 3.487 12.385 ( -0.042 1.673 1.587) 2.306 12.637 ( -0.709 5.854 -2.807) 6.531 13.115 ( -0.077 -1.278 1.656) 2.093 13.200 ( 0.754 3.138 0.981) 3.373 13.258 ( 0.553 4.973 1.189) 5.143 13.339 ( -4.494 1.746 -5.115) 7.029 13.447 ( 2.749 10.751 -6.921) 13.078 13.523 ( -0.385 0.738 -1.299) 1.543 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 2.374 -0.461 28.198) 28.301 2.886 ( 4.375 9.087 6.116) 11.795 3.355 ( 0.689 1.601 -2.368) 2.941 3.363 ( -3.180 -3.424 -13.573) 14.355 3.675 ( -2.800 -5.953 -4.398) 7.913 3.791 ( -1.506 -1.060 2.952) 3.479 4.199 ( 0.845 0.159 4.217) 4.303 4.391 ( 1.820 9.989 9.958) 14.222 4.957 ( -0.531 -7.453 0.421) 7.484 5.090 ( 1.594 -1.095 13.932) 14.066 5.221 ( -6.221 1.090 -2.893) 6.947 5.516 ( 1.606 -3.168 -9.279) 9.936 5.688 ( 2.755 3.915 10.778) 11.794 5.767 ( 2.051 3.702 -2.190) 4.765 5.884 ( 0.619 1.717 -15.053) 15.164 6.279 ( 3.746 -2.360 0.924) 4.522 6.316 ( -0.130 1.843 10.038) 10.206 6.409 ( -2.081 3.178 -3.990) 5.509 6.522 ( 2.906 3.645 -4.164) 6.250 6.564 ( -0.635 1.806 -5.299) 5.635 6.996 ( -7.220 -11.312 0.270) 13.423 7.416 ( -5.097 0.144 -2.295) 5.592 7.724 ( 8.046 3.081 0.020) 8.616 7.963 ( 5.734 5.650 2.511) 8.433 8.054 ( 1.752 8.189 -4.318) 9.422 8.542 ( 3.396 3.697 -2.531) 5.622 9.588 ( -3.055 -3.805 3.201) 5.836 9.704 ( 0.834 -0.294 -3.353) 3.468 9.860 ( -11.114 -16.617 3.169) 20.240 9.959 ( 1.074 2.117 -0.432) 2.413 10.019 ( -0.274 -2.354 -1.166) 2.641 11.174 ( -4.834 -8.302 1.399) 9.708 11.630 ( -1.670 -2.724 0.638) 3.259 11.689 ( -13.289 -21.726 3.587) 25.719 11.802 ( 0.305 0.167 1.514) 1.553 12.039 ( -0.693 -0.679 0.222) 0.995 12.274 ( 7.677 6.002 -1.700) 9.893 12.414 ( -0.229 4.348 2.123) 4.844 12.677 ( 1.509 3.819 -2.126) 4.624 13.114 ( -0.080 -1.058 1.152) 1.566 13.241 ( -0.788 -0.863 -2.599) 2.850 13.266 ( 1.924 2.530 1.342) 3.450 13.379 ( 2.309 7.130 0.192) 7.497 13.525 ( 0.762 0.836 -1.025) 1.526 13.605 ( 6.841 9.978 -3.574) 12.615 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 5.673 1.025 25.689) 26.328 2.957 ( 0.041 5.283 -19.635) 20.334 3.207 ( -3.543 -3.341 -2.200) 5.343 3.427 ( 0.679 0.585 1.921) 2.120 3.527 ( -3.342 -6.631 -4.203) 8.533 3.684 ( -5.686 -2.540 3.332) 7.063 4.276 ( 4.516 0.119 3.304) 5.597 4.545 ( -0.374 8.238 2.911) 8.745 4.845 ( -2.585 -3.567 -3.080) 5.375 5.092 ( -1.595 -2.136 3.104) 4.092 5.243 ( 1.178 1.459 -1.148) 2.199 5.380 ( -2.393 -6.992 -2.791) 7.899 5.768 ( -0.819 0.400 8.201) 8.252 5.885 ( -0.113 4.888 -9.007) 10.248 5.914 ( 6.118 5.538 4.454) 9.378 6.216 ( 1.126 -10.703 -2.616) 11.076 6.373 ( -5.787 3.728 0.439) 6.898 6.423 ( 4.048 -0.418 -0.139) 4.072 6.522 ( -2.029 4.428 1.805) 5.195 6.661 ( 4.880 6.425 -1.112) 8.144 6.848 ( 3.049 -8.509 1.851) 9.226 7.337 ( -6.671 6.428 0.566) 9.281 7.923 ( 11.949 2.110 -1.067) 12.181 8.086 ( 1.471 7.707 -4.001) 8.807 8.148 ( 3.988 3.479 2.172) 5.721 8.611 ( 2.837 2.882 -4.329) 5.924 9.210 ( -20.497 -22.411 -0.822) 30.382 9.674 ( 0.392 -1.246 3.663) 3.889 9.758 ( 3.820 4.120 -4.186) 7.006 10.008 ( 2.184 1.586 1.392) 3.037 10.111 ( 3.501 6.191 -1.406) 7.250 10.951 ( -10.418 -12.755 1.461) 16.533 11.248 ( -16.696 -17.722 1.162) 24.376 11.596 ( -0.433 -0.352 0.099) 0.567 11.820 ( -0.295 1.168 0.384) 1.265 12.021 ( -0.183 -1.208 0.204) 1.239 12.363 ( 4.010 -3.036 -2.265) 5.516 12.496 ( -0.530 8.362 0.899) 8.427 12.741 ( 3.040 2.268 0.788) 3.874 13.104 ( -0.144 -0.774 -0.525) 0.947 13.231 ( 0.758 -1.273 1.648) 2.216 13.325 ( 2.179 1.717 0.930) 2.926 13.483 ( 2.993 5.111 -1.974) 6.243 13.556 ( 2.229 1.220 -0.461) 2.583 13.792 ( 5.503 7.854 0.323) 9.595 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -5.475 1.890 25.659) 26.304 2.827 ( -1.944 6.978 12.167) 14.160 3.216 ( 4.244 -3.576 -9.507) 11.009 3.503 ( -1.442 1.795 -11.872) 12.093 3.667 ( 3.490 -4.591 -3.316) 6.652 3.793 ( 0.542 -2.952 3.167) 4.363 4.221 ( 1.370 2.917 4.245) 5.330 4.369 ( -3.703 7.478 8.431) 11.863 4.919 ( 1.790 -7.910 2.682) 8.542 5.028 ( 1.396 -3.426 22.297) 22.602 5.276 ( 4.651 1.841 -11.886) 12.895 5.522 ( -2.945 -1.064 -2.977) 4.321 5.646 ( -5.443 2.393 7.422) 9.511 5.866 ( 0.990 4.559 -14.360) 15.099 5.917 ( -4.930 3.158 -10.814) 12.297 6.201 ( -0.699 1.597 12.117) 12.242 6.300 ( 6.259 -1.584 -0.170) 6.458 6.425 ( -2.141 -3.723 1.646) 4.599 6.514 ( -0.013 5.910 -3.345) 6.791 6.587 ( -3.927 5.804 -6.284) 9.413 6.999 ( 5.263 -12.486 -0.121) 13.551 7.391 ( 5.838 -0.369 -0.170) 5.852 7.775 ( -5.900 5.262 -5.154) 9.437 7.942 ( -7.849 3.715 4.754) 9.900 8.052 ( -1.210 9.244 -3.948) 10.124 8.524 ( -2.335 2.655 -0.778) 3.621 9.625 ( 2.922 -1.824 2.873) 4.486 9.648 ( 0.052 -4.498 -1.115) 4.634 9.877 ( 15.361 -20.915 1.464) 25.992 9.968 ( -2.343 3.143 -0.512) 3.953 9.985 ( -2.717 1.456 1.626) 3.485 11.178 ( 4.621 -7.987 0.971) 9.278 11.599 ( 4.563 -7.530 3.766) 9.577 11.721 ( 8.142 -15.962 0.227) 17.920 11.814 ( 1.243 -0.372 0.313) 1.335 12.030 ( 0.949 -0.830 1.146) 1.704 12.239 ( -3.800 5.861 1.907) 7.241 12.436 ( -3.725 3.899 -0.139) 5.394 12.690 ( -1.579 4.252 -3.320) 5.621 13.112 ( 0.031 -1.208 1.001) 1.569 13.229 ( -0.854 1.669 -0.301) 1.899 13.313 ( 0.873 1.164 -3.570) 3.855 13.350 ( -1.705 5.230 2.281) 5.955 13.530 ( -1.668 1.099 -1.872) 2.738 13.619 ( -7.879 11.782 -4.424) 14.849 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -2.009 1.907 24.969) 25.122 2.908 ( 2.135 7.468 -10.816) 13.316 3.234 ( 1.265 -3.420 -3.194) 4.847 3.421 ( -1.387 3.366 -3.457) 5.020 3.612 ( -1.209 -8.607 -1.480) 8.816 3.772 ( 1.327 -4.728 -0.870) 4.987 4.288 ( -3.293 3.788 0.845) 5.090 4.433 ( 3.537 7.249 -1.457) 8.196 4.882 ( 0.126 -7.140 4.861) 8.638 5.175 ( 0.338 -1.372 16.779) 16.838 5.200 ( -0.097 -2.054 -15.588) 15.723 5.461 ( -0.411 -4.103 -0.261) 4.132 5.731 ( 3.348 7.421 8.309) 11.633 5.805 ( -2.547 0.459 -1.811) 3.158 5.857 ( -0.480 7.491 -9.014) 11.730 6.273 ( -3.954 -1.155 1.693) 4.453 6.381 ( 1.092 -3.860 8.956) 9.814 6.417 ( 2.344 6.451 -1.798) 7.095 6.472 ( -0.780 -0.588 -11.227) 11.269 6.560 ( 0.388 6.348 -0.093) 6.361 7.020 ( 1.625 -5.718 1.817) 6.216 7.297 ( -0.628 -6.626 -7.249) 9.841 7.842 ( -3.625 9.957 3.875) 11.283 7.949 ( 3.287 5.365 4.931) 7.994 8.093 ( -0.448 7.453 -4.547) 8.741 8.540 ( -0.021 3.459 1.118) 3.635 9.565 ( 0.856 -19.274 -0.874) 19.313 9.663 ( -0.246 1.629 3.252) 3.645 9.787 ( -0.460 -13.627 -3.738) 14.138 9.988 ( 1.064 3.890 -0.191) 4.037 10.005 ( -0.508 4.816 1.876) 5.193 11.128 ( -0.063 -11.143 0.415) 11.151 11.567 ( 0.601 -26.771 1.488) 26.819 11.613 ( -0.166 -2.648 -0.054) 2.654 11.806 ( -0.404 0.237 -0.090) 0.477 12.038 ( -0.066 -0.796 -0.421) 0.903 12.313 ( -1.758 8.437 2.883) 9.088 12.427 ( 2.364 2.266 -0.268) 3.285 12.703 ( -0.293 4.636 -2.021) 5.066 13.113 ( 0.129 -0.958 1.216) 1.554 13.252 ( 0.625 0.818 -0.210) 1.051 13.285 ( -2.437 2.859 -2.184) 4.346 13.406 ( 1.059 5.838 -1.038) 6.024 13.532 ( 0.102 1.821 0.261) 1.842 13.648 ( -0.125 11.833 0.144) 11.835 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 1.162 5.467 1.216) 5.719 2.937 ( 0.633 7.460 -0.924) 7.544 3.092 ( 0.152 -7.627 -11.881) 14.119 3.447 ( -2.452 -7.484 2.735) 8.336 3.544 ( 0.371 1.012 9.623) 9.683 3.691 ( -1.907 -8.011 -4.577) 9.422 4.267 ( 0.044 3.130 -0.154) 3.134 4.544 ( 3.742 3.968 -9.820) 11.233 4.848 ( 0.230 -1.651 0.698) 1.808 5.063 ( -3.122 -2.419 -10.797) 11.496 5.211 ( -0.421 -1.007 0.502) 1.201 5.454 ( -2.121 -2.682 16.762) 17.107 5.788 ( 1.594 1.806 -4.563) 5.160 5.918 ( 2.950 4.081 3.484) 6.124 5.936 ( 2.670 6.839 5.542) 9.199 6.105 ( -6.086 -10.645 -5.562) 13.464 6.284 ( -0.453 -0.957 -11.488) 11.536 6.439 ( 1.920 1.918 1.847) 3.283 6.639 ( 3.240 6.015 -0.863) 6.887 6.672 ( 5.606 7.328 9.495) 13.239 6.842 ( -12.396 -4.830 0.600) 13.318 7.333 ( 9.358 -0.646 -6.003) 11.137 7.888 ( -1.797 6.671 6.590) 9.548 8.124 ( 3.889 7.031 3.810) 8.893 8.132 ( 1.318 5.226 -3.297) 6.318 8.583 ( 0.821 2.177 0.180) 2.334 9.212 ( -10.304 -29.090 -2.669) 30.977 9.693 ( -0.459 3.622 -1.014) 3.790 9.713 ( 1.011 1.206 -2.249) 2.744 10.033 ( -0.424 3.549 1.829) 4.015 10.103 ( 4.186 6.700 -0.722) 7.933 10.958 ( -5.544 -14.942 0.252) 15.939 11.252 ( -6.986 -22.973 -0.576) 24.019 11.604 ( -0.097 -0.630 1.397) 1.536 11.823 ( 1.335 0.862 0.067) 1.591 12.007 ( -0.988 -1.795 -1.426) 2.496 12.316 ( -1.613 1.313 -2.199) 3.027 12.553 ( 3.968 5.613 1.759) 7.096 12.741 ( 0.647 3.408 0.639) 3.528 13.102 ( -0.750 -0.714 0.083) 1.039 13.239 ( -1.252 0.221 2.230) 2.567 13.302 ( 1.411 1.013 -1.500) 2.295 13.477 ( 2.033 5.907 -3.313) 7.071 13.557 ( 0.165 1.987 1.932) 2.776 13.816 ( 4.286 9.783 4.041) 11.420 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.000 0.000 20.103) 20.103 2.627 ( -0.000 -0.000 20.103) 20.103 3.377 ( 0.000 0.000 -12.879) 12.879 3.377 ( 0.000 0.000 -12.879) 12.879 3.741 ( -0.000 -0.000 8.238) 8.238 3.815 ( 0.000 0.000 -1.490) 1.490 4.208 ( -0.000 0.000 6.994) 6.994 4.208 ( -0.000 0.000 6.994) 6.994 5.050 ( -0.000 -0.000 30.088) 30.088 5.229 ( 0.000 0.000 -4.927) 4.927 5.229 ( -0.000 -0.000 -4.927) 4.927 5.446 ( -0.000 -0.000 2.918) 2.918 5.661 ( 0.000 0.000 2.038) 2.038 5.661 ( -0.000 0.000 2.038) 2.038 5.875 ( 0.000 0.000 -34.181) 34.181 6.212 ( 0.000 0.000 1.448) 1.448 6.212 ( -0.000 -0.000 1.448) 1.448 6.400 ( 0.000 0.000 -1.896) 1.896 6.400 ( -0.000 0.000 -1.896) 1.896 6.685 ( -0.000 -0.000 2.520) 2.520 7.371 ( 0.000 0.000 -1.740) 1.740 7.545 ( 0.000 0.000 -0.686) 0.686 7.545 ( -0.000 -0.000 -0.686) 0.686 7.788 ( 0.000 0.000 -0.358) 0.358 7.788 ( -0.000 0.000 -0.358) 0.358 8.442 ( 0.000 0.000 -2.176) 2.176 9.673 ( 0.000 0.000 1.470) 1.470 9.673 ( -0.000 0.000 1.470) 1.470 9.869 ( 0.000 0.000 -0.695) 0.695 9.869 ( -0.000 0.000 -0.695) 0.695 10.715 ( -0.000 -0.000 0.286) 0.286 11.333 ( -0.000 -0.000 0.878) 0.878 11.778 ( -0.000 -0.000 0.619) 0.619 11.789 ( 0.000 0.000 0.420) 0.420 11.789 ( -0.000 -0.000 0.420) 0.420 12.057 ( -0.000 -0.000 0.442) 0.442 12.374 ( -0.000 0.000 1.435) 1.435 12.374 ( -0.000 0.000 1.435) 1.435 12.541 ( -0.000 -0.000 0.481) 0.481 13.147 ( -0.000 -0.000 0.931) 0.931 13.180 ( -0.000 0.000 3.529) 3.529 13.180 ( -0.000 -0.000 3.529) 3.529 13.289 ( 0.000 0.000 -6.924) 6.924 13.289 ( 0.000 0.000 -6.924) 6.924 13.514 ( 0.000 0.000 -0.481) 0.481 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 2.546 -0.223 16.472) 16.669 2.777 ( 3.127 3.128 -2.373) 5.020 3.270 ( -4.021 0.711 0.098) 4.085 3.359 ( 3.964 -0.468 -9.316) 10.135 3.737 ( -4.047 -1.953 0.396) 4.511 3.827 ( 0.980 0.056 0.760) 1.241 4.239 ( 0.130 0.729 1.629) 1.789 4.288 ( 4.560 2.151 4.457) 6.729 5.086 ( -8.104 -3.356 -2.810) 9.210 5.163 ( -1.912 -1.879 7.569) 8.030 5.232 ( -0.174 0.111 5.287) 5.291 5.526 ( 0.273 -0.255 6.429) 6.440 5.665 ( 3.250 1.842 -15.649) 16.089 5.692 ( 1.901 2.173 4.945) 5.726 5.750 ( 5.137 0.906 -9.191) 10.568 6.250 ( 1.053 4.846 3.769) 6.229 6.298 ( 7.461 0.754 -3.059) 8.099 6.362 ( -1.874 -0.832 3.075) 3.696 6.450 ( 4.562 2.158 -3.835) 6.338 6.610 ( -7.304 -3.768 1.042) 8.284 7.198 ( -9.536 -5.972 -0.442) 11.260 7.432 ( -8.013 -3.795 2.480) 9.206 7.667 ( 8.463 4.143 -3.280) 9.977 7.869 ( 5.487 2.355 -3.420) 6.881 7.900 ( 7.463 5.324 3.345) 9.759 8.470 ( 3.016 1.867 -0.907) 3.661 9.655 ( -1.044 -1.637 2.421) 3.104 9.673 ( -1.000 0.578 -1.801) 2.140 9.898 ( 2.591 1.243 0.783) 2.978 9.913 ( 3.513 2.103 -0.862) 4.184 10.363 ( -26.282 -14.909 0.303) 30.217 11.278 ( -4.246 -2.481 0.240) 4.924 11.684 ( -3.771 -1.965 0.484) 4.280 11.794 ( 0.358 -0.011 0.488) 0.605 12.032 ( -2.440 -1.428 6.092) 6.716 12.058 ( -0.594 -1.347 0.114) 1.476 12.111 ( -3.863 -0.715 -6.295) 7.421 12.389 ( 1.097 0.243 1.097) 1.570 12.615 ( 3.527 1.897 -0.270) 4.013 13.137 ( -0.879 -0.514 0.181) 1.034 13.228 ( 0.692 2.482 1.595) 3.030 13.249 ( 1.246 -1.205 -3.037) 3.497 13.283 ( 4.561 1.889 3.107) 5.832 13.397 ( 11.564 7.139 -3.520) 14.039 13.515 ( 0.424 0.214 -0.405) 0.624 =================== 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 3/32805 10.0 447.025 447.025 549.803 0.000 -0.000 -0.000 3/32805 20.0 103.310 103.310 205.987 0.000 -0.000 -0.000 3/32805 30.0 34.467 34.467 77.721 0.000 -0.000 -0.000 3/32805 40.0 16.291 16.291 38.948 0.000 -0.000 -0.000 3/32805 50.0 9.565 9.565 23.589 0.000 -0.000 -0.000 3/32805 60.0 6.464 6.464 16.200 0.000 -0.000 -0.000 3/32805 70.0 4.795 4.795 12.100 0.000 -0.000 -0.000 3/32805 80.0 3.790 3.790 9.573 0.000 -0.000 -0.000 3/32805 90.0 3.132 3.132 7.888 0.000 -0.000 -0.000 3/32805 100.0 2.673 2.673 6.698 0.000 -0.000 -0.000 3/32805 110.0 2.337 2.337 5.817 0.000 -0.000 -0.000 3/32805 120.0 2.080 2.080 5.142 0.000 -0.000 -0.000 3/32805 130.0 1.878 1.878 4.609 0.000 -0.000 -0.000 3/32805 140.0 1.715 1.715 4.178 0.000 -0.000 -0.000 3/32805 150.0 1.580 1.580 3.823 0.000 -0.000 -0.000 3/32805 160.0 1.467 1.467 3.525 0.000 -0.000 -0.000 3/32805 170.0 1.370 1.370 3.272 0.000 -0.000 -0.000 3/32805 180.0 1.286 1.286 3.053 0.000 -0.000 -0.000 3/32805 190.0 1.213 1.213 2.864 0.000 -0.000 -0.000 3/32805 200.0 1.148 1.148 2.697 0.000 -0.000 -0.000 3/32805 210.0 1.090 1.090 2.549 0.000 -0.000 -0.000 3/32805 220.0 1.038 1.038 2.418 0.000 -0.000 -0.000 3/32805 230.0 0.991 0.991 2.299 0.000 -0.000 -0.000 3/32805 240.0 0.948 0.948 2.193 0.000 -0.000 -0.000 3/32805 250.0 0.909 0.909 2.096 0.000 -0.000 -0.000 3/32805 260.0 0.873 0.873 2.007 0.000 -0.000 -0.000 3/32805 270.0 0.840 0.840 1.926 0.000 -0.000 -0.000 3/32805 280.0 0.810 0.810 1.852 0.000 -0.000 -0.000 3/32805 290.0 0.782 0.782 1.783 0.000 -0.000 -0.000 3/32805 300.0 0.756 0.756 1.719 0.000 -0.000 -0.000 3/32805 310.0 0.731 0.731 1.660 0.000 -0.000 -0.000 3/32805 320.0 0.708 0.708 1.605 0.000 -0.000 -0.000 3/32805 330.0 0.687 0.687 1.553 0.000 -0.000 -0.000 3/32805 340.0 0.666 0.666 1.505 0.000 -0.000 -0.000 3/32805 350.0 0.647 0.647 1.460 0.000 -0.000 -0.000 3/32805 360.0 0.629 0.629 1.417 0.000 -0.000 -0.000 3/32805 370.0 0.612 0.612 1.377 0.000 -0.000 -0.000 3/32805 380.0 0.596 0.596 1.339 0.000 -0.000 -0.000 3/32805 390.0 0.581 0.581 1.304 0.000 -0.000 -0.000 3/32805 400.0 0.567 0.567 1.270 0.000 -0.000 -0.000 3/32805 410.0 0.553 0.553 1.238 0.000 -0.000 -0.000 3/32805 420.0 0.540 0.540 1.207 0.000 -0.000 -0.000 3/32805 430.0 0.527 0.527 1.178 0.000 -0.000 -0.000 3/32805 440.0 0.516 0.516 1.151 0.000 -0.000 -0.000 3/32805 450.0 0.504 0.504 1.124 0.000 -0.000 -0.000 3/32805 460.0 0.493 0.493 1.099 0.000 -0.000 -0.000 3/32805 470.0 0.483 0.483 1.075 0.000 -0.000 -0.000 3/32805 480.0 0.473 0.473 1.052 0.000 -0.000 -0.000 3/32805 490.0 0.463 0.463 1.030 0.000 -0.000 -0.000 3/32805 500.0 0.454 0.454 1.009 0.000 -0.000 -0.000 3/32805 510.0 0.445 0.445 0.989 0.000 -0.000 -0.000 3/32805 520.0 0.437 0.437 0.969 0.000 -0.000 -0.000 3/32805 530.0 0.429 0.429 0.951 0.000 -0.000 -0.000 3/32805 540.0 0.421 0.421 0.933 0.000 -0.000 -0.000 3/32805 550.0 0.413 0.413 0.916 0.000 -0.000 -0.000 3/32805 560.0 0.406 0.406 0.899 0.000 -0.000 -0.000 3/32805 570.0 0.399 0.399 0.883 0.000 -0.000 -0.000 3/32805 580.0 0.392 0.392 0.867 0.000 -0.000 -0.000 3/32805 590.0 0.385 0.385 0.852 0.000 -0.000 -0.000 3/32805 600.0 0.379 0.379 0.838 0.000 -0.000 -0.000 3/32805 610.0 0.373 0.373 0.824 0.000 -0.000 -0.000 3/32805 620.0 0.367 0.367 0.811 0.000 -0.000 -0.000 3/32805 630.0 0.361 0.361 0.798 0.000 -0.000 -0.000 3/32805 640.0 0.356 0.356 0.785 0.000 -0.000 -0.000 3/32805 650.0 0.350 0.350 0.773 0.000 -0.000 -0.000 3/32805 660.0 0.345 0.345 0.761 0.000 -0.000 -0.000 3/32805 670.0 0.340 0.340 0.749 0.000 -0.000 -0.000 3/32805 680.0 0.335 0.335 0.738 0.000 -0.000 -0.000 3/32805 690.0 0.330 0.330 0.727 0.000 -0.000 -0.000 3/32805 700.0 0.325 0.325 0.717 0.000 -0.000 -0.000 3/32805 710.0 0.321 0.321 0.707 0.000 -0.000 -0.000 3/32805 720.0 0.316 0.316 0.697 0.000 -0.000 -0.000 3/32805 730.0 0.312 0.312 0.687 0.000 -0.000 -0.000 3/32805 740.0 0.308 0.308 0.678 0.000 -0.000 -0.000 3/32805 750.0 0.304 0.304 0.669 0.000 -0.000 -0.000 3/32805 760.0 0.300 0.300 0.660 0.000 -0.000 -0.000 3/32805 770.0 0.296 0.296 0.651 0.000 -0.000 -0.000 3/32805 780.0 0.292 0.292 0.643 0.000 -0.000 -0.000 3/32805 790.0 0.289 0.289 0.635 0.000 -0.000 -0.000 3/32805 800.0 0.285 0.285 0.627 0.000 -0.000 -0.000 3/32805 810.0 0.282 0.282 0.619 0.000 -0.000 -0.000 3/32805 820.0 0.278 0.278 0.611 0.000 -0.000 -0.000 3/32805 830.0 0.275 0.275 0.604 0.000 -0.000 -0.000 3/32805 840.0 0.272 0.272 0.597 0.000 -0.000 -0.000 3/32805 850.0 0.268 0.268 0.590 0.000 -0.000 -0.000 3/32805 860.0 0.265 0.265 0.583 0.000 -0.000 -0.000 3/32805 870.0 0.262 0.262 0.576 0.000 -0.000 -0.000 3/32805 880.0 0.259 0.259 0.569 0.000 -0.000 -0.000 3/32805 890.0 0.256 0.256 0.563 0.000 -0.000 -0.000 3/32805 900.0 0.254 0.254 0.557 0.000 -0.000 -0.000 3/32805 910.0 0.251 0.251 0.550 0.000 -0.000 -0.000 3/32805 920.0 0.248 0.248 0.544 0.000 -0.000 -0.000 3/32805 930.0 0.245 0.245 0.539 0.000 -0.000 -0.000 3/32805 940.0 0.243 0.243 0.533 0.000 -0.000 -0.000 3/32805 950.0 0.240 0.240 0.527 0.000 -0.000 -0.000 3/32805 960.0 0.238 0.238 0.522 0.000 -0.000 -0.000 3/32805 970.0 0.235 0.235 0.516 0.000 -0.000 -0.000 3/32805 980.0 0.233 0.233 0.511 0.000 -0.000 -0.000 3/32805 990.0 0.231 0.231 0.506 0.000 -0.000 -0.000 3/32805 1000.0 0.228 0.228 0.501 0.000 -0.000 -0.000 3/32805 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:23:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|