----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:43:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.269671755081276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -1.613727986877417 0.000000000000000 5.958985942657464 Atomic positions (fractional): *1 B 0.20682822125984 0.23015064972575 0.18788375239143 10.811 2 B 0.79317177874016 0.73015064972575 0.31211624760857 10.811 3 B 0.79317177874016 0.76984935027425 0.81211624760857 10.811 4 B 0.20682822125984 0.26984935027425 0.68788375239143 10.811 *5 Se 0.44908728310133 0.18155326383385 0.68483599822761 78.960 6 Se 0.55091271689867 0.68155326383385 0.81516400177239 78.960 7 Se 0.55091271689867 0.81844673616615 0.31516400177239 78.960 8 Se 0.44908728310133 0.31844673616615 0.18483599822761 78.960 *9 Se 0.30553117741203 0.41182110495214 0.84453171620443 78.960 10 Se 0.69446882258797 0.91182110495214 0.65546828379557 78.960 11 Se 0.69446882258797 0.58817889504786 0.15546828379557 78.960 12 Se 0.30553117741203 0.08817889504786 0.34453171620443 78.960 *13 Se 0.04479445198661 0.19323646010255 0.87265483485657 78.960 14 Se 0.95520554801339 0.69323646010255 0.62734516514343 78.960 15 Se 0.95520554801339 0.80676353989745 0.12734516514343 78.960 16 Se 0.04479445198661 0.30676353989745 0.37265483485657 78.960 *17 Rb 0.75980792674449 0.07650390904299 0.20755077325288 85.468 18 Rb 0.24019207325551 0.57650390904299 0.29244922674712 85.468 19 Rb 0.24019207325551 0.92349609095701 0.79244922674712 85.468 20 Rb 0.75980792674449 0.42349609095701 0.70755077325288 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.269671755081276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -1.613727986877417 0.000000000000000 5.958985942657464 Atomic positions (fractional): *1 B 0.20682822125984 0.23015064972575 0.18788375239143 10.811 > 1 2 B 0.79317177874016 0.73015064972575 0.31211624760857 10.811 > 2 3 B 0.79317177874016 0.76984935027425 0.81211624760857 10.811 > 3 4 B 0.20682822125984 0.26984935027425 0.68788375239143 10.811 > 4 *5 Se 0.44908728310133 0.18155326383385 0.68483599822761 78.960 > 5 6 Se 0.55091271689867 0.68155326383385 0.81516400177239 78.960 > 6 7 Se 0.55091271689867 0.81844673616615 0.31516400177239 78.960 > 7 8 Se 0.44908728310133 0.31844673616615 0.18483599822761 78.960 > 8 *9 Se 0.30553117741203 0.41182110495214 0.84453171620443 78.960 > 9 10 Se 0.69446882258797 0.91182110495214 0.65546828379557 78.960 > 10 11 Se 0.69446882258797 0.58817889504786 0.15546828379557 78.960 > 11 12 Se 0.30553117741203 0.08817889504786 0.34453171620443 78.960 > 12 *13 Se 0.04479445198661 0.19323646010255 0.87265483485657 78.960 > 13 14 Se 0.95520554801339 0.69323646010255 0.62734516514343 78.960 > 14 15 Se 0.95520554801339 0.80676353989745 0.12734516514343 78.960 > 15 16 Se 0.04479445198661 0.30676353989745 0.37265483485657 78.960 > 16 *17 Rb 0.75980792674449 0.07650390904299 0.20755077325288 85.468 > 17 18 Rb 0.24019207325551 0.57650390904299 0.29244922674712 85.468 > 18 19 Rb 0.24019207325551 0.92349609095701 0.79244922674712 85.468 > 19 20 Rb 0.75980792674449 0.42349609095701 0.70755077325288 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.539343510162553 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -3.227455973754834 0.000000000000000 11.917971885314929 Atomic positions (fractional): *1 B 0.10341411062992 0.23015064972575 0.09394187619572 10.811 > 1 2 B 0.60341411062992 0.23015064972575 0.09394187619572 10.811 > 1 3 B 0.10341411062992 0.23015064972575 0.59394187619572 10.811 > 1 4 B 0.60341411062992 0.23015064972575 0.59394187619572 10.811 > 1 5 B 0.39658588937008 0.73015064972575 0.15605812380428 10.811 > 2 6 B 0.89658588937008 0.73015064972575 0.15605812380428 10.811 > 2 7 B 0.39658588937008 0.73015064972575 0.65605812380428 10.811 > 2 8 B 0.89658588937008 0.73015064972575 0.65605812380428 10.811 > 2 9 B 0.39658588937008 0.76984935027425 0.40605812380428 10.811 > 3 10 B 0.89658588937008 0.76984935027425 0.40605812380428 10.811 > 3 11 B 0.39658588937008 0.76984935027425 0.90605812380428 10.811 > 3 12 B 0.89658588937008 0.76984935027425 0.90605812380428 10.811 > 3 13 B 0.10341411062992 0.26984935027425 0.34394187619572 10.811 > 4 14 B 0.60341411062992 0.26984935027425 0.34394187619572 10.811 > 4 15 B 0.10341411062992 0.26984935027425 0.84394187619572 10.811 > 4 16 B 0.60341411062992 0.26984935027425 0.84394187619572 10.811 > 4 *17 Se 0.22454364155067 0.18155326383385 0.34241799911380 78.960 > 5 18 Se 0.72454364155067 0.18155326383385 0.34241799911380 78.960 > 5 19 Se 0.22454364155067 0.18155326383385 0.84241799911380 78.960 > 5 20 Se 0.72454364155067 0.18155326383385 0.84241799911380 78.960 > 5 21 Se 0.27545635844933 0.68155326383385 0.40758200088620 78.960 > 6 22 Se 0.77545635844933 0.68155326383385 0.40758200088620 78.960 > 6 23 Se 0.27545635844933 0.68155326383385 0.90758200088620 78.960 > 6 24 Se 0.77545635844933 0.68155326383385 0.90758200088620 78.960 > 6 25 Se 0.27545635844933 0.81844673616615 0.15758200088620 78.960 > 7 26 Se 0.77545635844933 0.81844673616615 0.15758200088620 78.960 > 7 27 Se 0.27545635844933 0.81844673616615 0.65758200088620 78.960 > 7 28 Se 0.77545635844933 0.81844673616615 0.65758200088620 78.960 > 7 29 Se 0.22454364155067 0.31844673616615 0.09241799911380 78.960 > 8 30 Se 0.72454364155067 0.31844673616615 0.09241799911380 78.960 > 8 31 Se 0.22454364155067 0.31844673616615 0.59241799911380 78.960 > 8 32 Se 0.72454364155067 0.31844673616615 0.59241799911380 78.960 > 8 *33 Se 0.15276558870602 0.41182110495214 0.42226585810222 78.960 > 9 34 Se 0.65276558870602 0.41182110495214 0.42226585810222 78.960 > 9 35 Se 0.15276558870602 0.41182110495214 0.92226585810222 78.960 > 9 36 Se 0.65276558870602 0.41182110495214 0.92226585810222 78.960 > 9 37 Se 0.34723441129398 0.91182110495214 0.32773414189778 78.960 > 10 38 Se 0.84723441129398 0.91182110495214 0.32773414189778 78.960 > 10 39 Se 0.34723441129398 0.91182110495214 0.82773414189778 78.960 > 10 40 Se 0.84723441129398 0.91182110495214 0.82773414189778 78.960 > 10 41 Se 0.34723441129398 0.58817889504786 0.07773414189778 78.960 > 11 42 Se 0.84723441129398 0.58817889504786 0.07773414189778 78.960 > 11 43 Se 0.34723441129398 0.58817889504786 0.57773414189778 78.960 > 11 44 Se 0.84723441129398 0.58817889504786 0.57773414189778 78.960 > 11 45 Se 0.15276558870602 0.08817889504786 0.17226585810222 78.960 > 12 46 Se 0.65276558870602 0.08817889504786 0.17226585810222 78.960 > 12 47 Se 0.15276558870602 0.08817889504786 0.67226585810222 78.960 > 12 48 Se 0.65276558870602 0.08817889504786 0.67226585810222 78.960 > 12 *49 Se 0.02239722599330 0.19323646010255 0.43632741742829 78.960 > 13 50 Se 0.52239722599330 0.19323646010255 0.43632741742829 78.960 > 13 51 Se 0.02239722599330 0.19323646010255 0.93632741742829 78.960 > 13 52 Se 0.52239722599330 0.19323646010255 0.93632741742829 78.960 > 13 53 Se 0.47760277400670 0.69323646010255 0.31367258257171 78.960 > 14 54 Se 0.97760277400670 0.69323646010255 0.31367258257171 78.960 > 14 55 Se 0.47760277400670 0.69323646010255 0.81367258257171 78.960 > 14 56 Se 0.97760277400670 0.69323646010255 0.81367258257171 78.960 > 14 57 Se 0.47760277400670 0.80676353989745 0.06367258257171 78.960 > 15 58 Se 0.97760277400670 0.80676353989745 0.06367258257171 78.960 > 15 59 Se 0.47760277400670 0.80676353989745 0.56367258257171 78.960 > 15 60 Se 0.97760277400670 0.80676353989745 0.56367258257171 78.960 > 15 61 Se 0.02239722599330 0.30676353989745 0.18632741742829 78.960 > 16 62 Se 0.52239722599330 0.30676353989745 0.18632741742829 78.960 > 16 63 Se 0.02239722599330 0.30676353989745 0.68632741742829 78.960 > 16 64 Se 0.52239722599330 0.30676353989745 0.68632741742829 78.960 > 16 *65 Rb 0.37990396337225 0.07650390904299 0.10377538662644 85.468 > 17 66 Rb 0.87990396337225 0.07650390904299 0.10377538662644 85.468 > 17 67 Rb 0.37990396337225 0.07650390904299 0.60377538662644 85.468 > 17 68 Rb 0.87990396337225 0.07650390904299 0.60377538662644 85.468 > 17 69 Rb 0.12009603662775 0.57650390904299 0.14622461337356 85.468 > 18 70 Rb 0.62009603662775 0.57650390904299 0.14622461337356 85.468 > 18 71 Rb 0.12009603662775 0.57650390904299 0.64622461337356 85.468 > 18 72 Rb 0.62009603662775 0.57650390904299 0.64622461337356 85.468 > 18 73 Rb 0.12009603662775 0.92349609095701 0.39622461337356 85.468 > 19 74 Rb 0.62009603662775 0.92349609095701 0.39622461337356 85.468 > 19 75 Rb 0.12009603662775 0.92349609095701 0.89622461337356 85.468 > 19 76 Rb 0.62009603662775 0.92349609095701 0.89622461337356 85.468 > 19 77 Rb 0.37990396337225 0.42349609095701 0.35377538662644 85.468 > 20 78 Rb 0.87990396337225 0.42349609095701 0.35377538662644 85.468 > 20 79 Rb 0.37990396337225 0.42349609095701 0.85377538662644 85.468 > 20 80 Rb 0.87990396337225 0.42349609095701 0.85377538662644 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2834536 0.0000000 -0.3929396 0.0000000 4.6049798 0.0000000 -0.3929417 0.0000000 6.5639108 -------------------------- Born effective charges -------------------------- 1 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 2 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 3 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 4 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 5 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 6 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 7 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 8 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 9 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 10 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 11 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 12 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 13 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 14 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 15 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 16 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 17 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 18 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 19 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 20 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.136 Solver_block: 200 / 640 - Time: 2.133 Solver_block: 300 / 640 - Time: 2.131 Solver_block: 400 / 640 - Time: 2.131 Solver_block: 500 / 640 - Time: 2.131 Solver_block: 600 / 640 - Time: 2.130 Solver_block: 640 / 640 - Time: 0.914 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.755 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:44:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.269671755081276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -1.613727986877417 0.000000000000000 5.958985942657464 Atomic positions (fractional): 1 B 0.20682822125984 0.23015064972575 0.18788375239143 10.811 2 B 0.79317177874016 0.73015064972575 0.31211624760857 10.811 3 B 0.79317177874016 0.76984935027425 0.81211624760857 10.811 4 B 0.20682822125984 0.26984935027425 0.68788375239143 10.811 5 Se 0.44908728310133 0.18155326383385 0.68483599822761 78.960 6 Se 0.55091271689867 0.68155326383385 0.81516400177239 78.960 7 Se 0.55091271689867 0.81844673616615 0.31516400177239 78.960 8 Se 0.44908728310133 0.31844673616615 0.18483599822761 78.960 9 Se 0.30553117741203 0.41182110495214 0.84453171620443 78.960 10 Se 0.69446882258797 0.91182110495214 0.65546828379557 78.960 11 Se 0.69446882258797 0.58817889504786 0.15546828379557 78.960 12 Se 0.30553117741203 0.08817889504786 0.34453171620443 78.960 13 Se 0.04479445198661 0.19323646010255 0.87265483485657 78.960 14 Se 0.95520554801339 0.69323646010255 0.62734516514343 78.960 15 Se 0.95520554801339 0.80676353989745 0.12734516514343 78.960 16 Se 0.04479445198661 0.30676353989745 0.37265483485657 78.960 17 Rb 0.75980792674449 0.07650390904299 0.20755077325288 85.468 18 Rb 0.24019207325551 0.57650390904299 0.29244922674712 85.468 19 Rb 0.24019207325551 0.92349609095701 0.79244922674712 85.468 20 Rb 0.75980792674449 0.42349609095701 0.70755077325288 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.539343510162553 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -3.227455973754834 0.000000000000000 11.917971885314929 Atomic positions (fractional): 1 B 0.10341411062992 0.23015064972575 0.09394187619572 10.811 > 1 2 B 0.60341411062992 0.23015064972575 0.09394187619572 10.811 > 1 3 B 0.10341411062992 0.23015064972575 0.59394187619572 10.811 > 1 4 B 0.60341411062992 0.23015064972575 0.59394187619572 10.811 > 1 5 B 0.39658588937008 0.73015064972575 0.15605812380428 10.811 > 5 6 B 0.89658588937008 0.73015064972575 0.15605812380428 10.811 > 5 7 B 0.39658588937008 0.73015064972575 0.65605812380428 10.811 > 5 8 B 0.89658588937008 0.73015064972575 0.65605812380428 10.811 > 5 9 B 0.39658588937008 0.76984935027425 0.40605812380428 10.811 > 9 10 B 0.89658588937008 0.76984935027425 0.40605812380428 10.811 > 9 11 B 0.39658588937008 0.76984935027425 0.90605812380428 10.811 > 9 12 B 0.89658588937008 0.76984935027425 0.90605812380428 10.811 > 9 13 B 0.10341411062992 0.26984935027425 0.34394187619572 10.811 > 13 14 B 0.60341411062992 0.26984935027425 0.34394187619572 10.811 > 13 15 B 0.10341411062992 0.26984935027425 0.84394187619572 10.811 > 13 16 B 0.60341411062992 0.26984935027425 0.84394187619572 10.811 > 13 17 Se 0.22454364155067 0.18155326383385 0.34241799911380 78.960 > 17 18 Se 0.72454364155067 0.18155326383385 0.34241799911380 78.960 > 17 19 Se 0.22454364155067 0.18155326383385 0.84241799911380 78.960 > 17 20 Se 0.72454364155067 0.18155326383385 0.84241799911380 78.960 > 17 21 Se 0.27545635844933 0.68155326383385 0.40758200088620 78.960 > 21 22 Se 0.77545635844933 0.68155326383385 0.40758200088620 78.960 > 21 23 Se 0.27545635844933 0.68155326383385 0.90758200088620 78.960 > 21 24 Se 0.77545635844933 0.68155326383385 0.90758200088620 78.960 > 21 25 Se 0.27545635844933 0.81844673616615 0.15758200088620 78.960 > 25 26 Se 0.77545635844933 0.81844673616615 0.15758200088620 78.960 > 25 27 Se 0.27545635844933 0.81844673616615 0.65758200088620 78.960 > 25 28 Se 0.77545635844933 0.81844673616615 0.65758200088620 78.960 > 25 29 Se 0.22454364155067 0.31844673616615 0.09241799911380 78.960 > 29 30 Se 0.72454364155067 0.31844673616615 0.09241799911380 78.960 > 29 31 Se 0.22454364155067 0.31844673616615 0.59241799911380 78.960 > 29 32 Se 0.72454364155067 0.31844673616615 0.59241799911380 78.960 > 29 33 Se 0.15276558870602 0.41182110495214 0.42226585810222 78.960 > 33 34 Se 0.65276558870602 0.41182110495214 0.42226585810222 78.960 > 33 35 Se 0.15276558870602 0.41182110495214 0.92226585810222 78.960 > 33 36 Se 0.65276558870602 0.41182110495214 0.92226585810222 78.960 > 33 37 Se 0.34723441129398 0.91182110495214 0.32773414189778 78.960 > 37 38 Se 0.84723441129398 0.91182110495214 0.32773414189778 78.960 > 37 39 Se 0.34723441129398 0.91182110495214 0.82773414189778 78.960 > 37 40 Se 0.84723441129398 0.91182110495214 0.82773414189778 78.960 > 37 41 Se 0.34723441129398 0.58817889504786 0.07773414189778 78.960 > 41 42 Se 0.84723441129398 0.58817889504786 0.07773414189778 78.960 > 41 43 Se 0.34723441129398 0.58817889504786 0.57773414189778 78.960 > 41 44 Se 0.84723441129398 0.58817889504786 0.57773414189778 78.960 > 41 45 Se 0.15276558870602 0.08817889504786 0.17226585810222 78.960 > 45 46 Se 0.65276558870602 0.08817889504786 0.17226585810222 78.960 > 45 47 Se 0.15276558870602 0.08817889504786 0.67226585810222 78.960 > 45 48 Se 0.65276558870602 0.08817889504786 0.67226585810222 78.960 > 45 49 Se 0.02239722599330 0.19323646010255 0.43632741742829 78.960 > 49 50 Se 0.52239722599330 0.19323646010255 0.43632741742829 78.960 > 49 51 Se 0.02239722599330 0.19323646010255 0.93632741742829 78.960 > 49 52 Se 0.52239722599330 0.19323646010255 0.93632741742829 78.960 > 49 53 Se 0.47760277400670 0.69323646010255 0.31367258257171 78.960 > 53 54 Se 0.97760277400670 0.69323646010255 0.31367258257171 78.960 > 53 55 Se 0.47760277400670 0.69323646010255 0.81367258257171 78.960 > 53 56 Se 0.97760277400670 0.69323646010255 0.81367258257171 78.960 > 53 57 Se 0.47760277400670 0.80676353989745 0.06367258257171 78.960 > 57 58 Se 0.97760277400670 0.80676353989745 0.06367258257171 78.960 > 57 59 Se 0.47760277400670 0.80676353989745 0.56367258257171 78.960 > 57 60 Se 0.97760277400670 0.80676353989745 0.56367258257171 78.960 > 57 61 Se 0.02239722599330 0.30676353989745 0.18632741742829 78.960 > 61 62 Se 0.52239722599330 0.30676353989745 0.18632741742829 78.960 > 61 63 Se 0.02239722599330 0.30676353989745 0.68632741742829 78.960 > 61 64 Se 0.52239722599330 0.30676353989745 0.68632741742829 78.960 > 61 65 Rb 0.37990396337225 0.07650390904299 0.10377538662644 85.468 > 65 66 Rb 0.87990396337225 0.07650390904299 0.10377538662644 85.468 > 65 67 Rb 0.37990396337225 0.07650390904299 0.60377538662644 85.468 > 65 68 Rb 0.87990396337225 0.07650390904299 0.60377538662644 85.468 > 65 69 Rb 0.12009603662775 0.57650390904299 0.14622461337356 85.468 > 69 70 Rb 0.62009603662775 0.57650390904299 0.14622461337356 85.468 > 69 71 Rb 0.12009603662775 0.57650390904299 0.64622461337356 85.468 > 69 72 Rb 0.62009603662775 0.57650390904299 0.64622461337356 85.468 > 69 73 Rb 0.12009603662775 0.92349609095701 0.39622461337356 85.468 > 73 74 Rb 0.62009603662775 0.92349609095701 0.39622461337356 85.468 > 73 75 Rb 0.12009603662775 0.92349609095701 0.89622461337356 85.468 > 73 76 Rb 0.62009603662775 0.92349609095701 0.89622461337356 85.468 > 73 77 Rb 0.37990396337225 0.42349609095701 0.35377538662644 85.468 > 77 78 Rb 0.87990396337225 0.42349609095701 0.35377538662644 85.468 > 77 79 Rb 0.37990396337225 0.42349609095701 0.85377538662644 85.468 > 77 80 Rb 0.87990396337225 0.42349609095701 0.85377538662644 85.468 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2834536 0.0000000 -0.3929396 0.0000000 4.6049798 0.0000000 -0.3929417 0.0000000 6.5639108 -------------------------- Born effective charges -------------------------- 1 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 2 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 3 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 4 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 5 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 6 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 7 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 8 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 9 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 10 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 11 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 12 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 13 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 14 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 15 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 16 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 17 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 18 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 19 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 20 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yz) -0.00000005 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:44:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:44:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.269671755081276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -1.613727986877417 0.000000000000000 5.958985942657464 Atomic positions (fractional): 1 B 0.20682822125984 0.23015064972575 0.18788375239143 10.811 2 B 0.79317177874016 0.73015064972575 0.31211624760857 10.811 3 B 0.79317177874016 0.76984935027425 0.81211624760857 10.811 4 B 0.20682822125984 0.26984935027425 0.68788375239143 10.811 5 Se 0.44908728310133 0.18155326383385 0.68483599822761 78.960 6 Se 0.55091271689867 0.68155326383385 0.81516400177239 78.960 7 Se 0.55091271689867 0.81844673616615 0.31516400177239 78.960 8 Se 0.44908728310133 0.31844673616615 0.18483599822761 78.960 9 Se 0.30553117741203 0.41182110495214 0.84453171620443 78.960 10 Se 0.69446882258797 0.91182110495214 0.65546828379557 78.960 11 Se 0.69446882258797 0.58817889504786 0.15546828379557 78.960 12 Se 0.30553117741203 0.08817889504786 0.34453171620443 78.960 13 Se 0.04479445198661 0.19323646010255 0.87265483485657 78.960 14 Se 0.95520554801339 0.69323646010255 0.62734516514343 78.960 15 Se 0.95520554801339 0.80676353989745 0.12734516514343 78.960 16 Se 0.04479445198661 0.30676353989745 0.37265483485657 78.960 17 Rb 0.75980792674449 0.07650390904299 0.20755077325288 85.468 18 Rb 0.24019207325551 0.57650390904299 0.29244922674712 85.468 19 Rb 0.24019207325551 0.92349609095701 0.79244922674712 85.468 20 Rb 0.75980792674449 0.42349609095701 0.70755077325288 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.539343510162553 0.000000000000000 0.000000000000000 b 0.000000000000000 12.343893890000004 0.000000000000000 c -3.227455973754834 0.000000000000000 11.917971885314929 Atomic positions (fractional): 1 B 0.10341411062992 0.23015064972575 0.09394187619572 10.811 > 1 2 B 0.60341411062992 0.23015064972575 0.09394187619572 10.811 > 1 3 B 0.10341411062992 0.23015064972575 0.59394187619572 10.811 > 1 4 B 0.60341411062992 0.23015064972575 0.59394187619572 10.811 > 1 5 B 0.39658588937008 0.73015064972575 0.15605812380428 10.811 > 5 6 B 0.89658588937008 0.73015064972575 0.15605812380428 10.811 > 5 7 B 0.39658588937008 0.73015064972575 0.65605812380428 10.811 > 5 8 B 0.89658588937008 0.73015064972575 0.65605812380428 10.811 > 5 9 B 0.39658588937008 0.76984935027425 0.40605812380428 10.811 > 9 10 B 0.89658588937008 0.76984935027425 0.40605812380428 10.811 > 9 11 B 0.39658588937008 0.76984935027425 0.90605812380428 10.811 > 9 12 B 0.89658588937008 0.76984935027425 0.90605812380428 10.811 > 9 13 B 0.10341411062992 0.26984935027425 0.34394187619572 10.811 > 13 14 B 0.60341411062992 0.26984935027425 0.34394187619572 10.811 > 13 15 B 0.10341411062992 0.26984935027425 0.84394187619572 10.811 > 13 16 B 0.60341411062992 0.26984935027425 0.84394187619572 10.811 > 13 17 Se 0.22454364155067 0.18155326383385 0.34241799911380 78.960 > 17 18 Se 0.72454364155067 0.18155326383385 0.34241799911380 78.960 > 17 19 Se 0.22454364155067 0.18155326383385 0.84241799911380 78.960 > 17 20 Se 0.72454364155067 0.18155326383385 0.84241799911380 78.960 > 17 21 Se 0.27545635844933 0.68155326383385 0.40758200088620 78.960 > 21 22 Se 0.77545635844933 0.68155326383385 0.40758200088620 78.960 > 21 23 Se 0.27545635844933 0.68155326383385 0.90758200088620 78.960 > 21 24 Se 0.77545635844933 0.68155326383385 0.90758200088620 78.960 > 21 25 Se 0.27545635844933 0.81844673616615 0.15758200088620 78.960 > 25 26 Se 0.77545635844933 0.81844673616615 0.15758200088620 78.960 > 25 27 Se 0.27545635844933 0.81844673616615 0.65758200088620 78.960 > 25 28 Se 0.77545635844933 0.81844673616615 0.65758200088620 78.960 > 25 29 Se 0.22454364155067 0.31844673616615 0.09241799911380 78.960 > 29 30 Se 0.72454364155067 0.31844673616615 0.09241799911380 78.960 > 29 31 Se 0.22454364155067 0.31844673616615 0.59241799911380 78.960 > 29 32 Se 0.72454364155067 0.31844673616615 0.59241799911380 78.960 > 29 33 Se 0.15276558870602 0.41182110495214 0.42226585810222 78.960 > 33 34 Se 0.65276558870602 0.41182110495214 0.42226585810222 78.960 > 33 35 Se 0.15276558870602 0.41182110495214 0.92226585810222 78.960 > 33 36 Se 0.65276558870602 0.41182110495214 0.92226585810222 78.960 > 33 37 Se 0.34723441129398 0.91182110495214 0.32773414189778 78.960 > 37 38 Se 0.84723441129398 0.91182110495214 0.32773414189778 78.960 > 37 39 Se 0.34723441129398 0.91182110495214 0.82773414189778 78.960 > 37 40 Se 0.84723441129398 0.91182110495214 0.82773414189778 78.960 > 37 41 Se 0.34723441129398 0.58817889504786 0.07773414189778 78.960 > 41 42 Se 0.84723441129398 0.58817889504786 0.07773414189778 78.960 > 41 43 Se 0.34723441129398 0.58817889504786 0.57773414189778 78.960 > 41 44 Se 0.84723441129398 0.58817889504786 0.57773414189778 78.960 > 41 45 Se 0.15276558870602 0.08817889504786 0.17226585810222 78.960 > 45 46 Se 0.65276558870602 0.08817889504786 0.17226585810222 78.960 > 45 47 Se 0.15276558870602 0.08817889504786 0.67226585810222 78.960 > 45 48 Se 0.65276558870602 0.08817889504786 0.67226585810222 78.960 > 45 49 Se 0.02239722599330 0.19323646010255 0.43632741742829 78.960 > 49 50 Se 0.52239722599330 0.19323646010255 0.43632741742829 78.960 > 49 51 Se 0.02239722599330 0.19323646010255 0.93632741742829 78.960 > 49 52 Se 0.52239722599330 0.19323646010255 0.93632741742829 78.960 > 49 53 Se 0.47760277400670 0.69323646010255 0.31367258257171 78.960 > 53 54 Se 0.97760277400670 0.69323646010255 0.31367258257171 78.960 > 53 55 Se 0.47760277400670 0.69323646010255 0.81367258257171 78.960 > 53 56 Se 0.97760277400670 0.69323646010255 0.81367258257171 78.960 > 53 57 Se 0.47760277400670 0.80676353989745 0.06367258257171 78.960 > 57 58 Se 0.97760277400670 0.80676353989745 0.06367258257171 78.960 > 57 59 Se 0.47760277400670 0.80676353989745 0.56367258257171 78.960 > 57 60 Se 0.97760277400670 0.80676353989745 0.56367258257171 78.960 > 57 61 Se 0.02239722599330 0.30676353989745 0.18632741742829 78.960 > 61 62 Se 0.52239722599330 0.30676353989745 0.18632741742829 78.960 > 61 63 Se 0.02239722599330 0.30676353989745 0.68632741742829 78.960 > 61 64 Se 0.52239722599330 0.30676353989745 0.68632741742829 78.960 > 61 65 Rb 0.37990396337225 0.07650390904299 0.10377538662644 85.468 > 65 66 Rb 0.87990396337225 0.07650390904299 0.10377538662644 85.468 > 65 67 Rb 0.37990396337225 0.07650390904299 0.60377538662644 85.468 > 65 68 Rb 0.87990396337225 0.07650390904299 0.60377538662644 85.468 > 65 69 Rb 0.12009603662775 0.57650390904299 0.14622461337356 85.468 > 69 70 Rb 0.62009603662775 0.57650390904299 0.14622461337356 85.468 > 69 71 Rb 0.12009603662775 0.57650390904299 0.64622461337356 85.468 > 69 72 Rb 0.62009603662775 0.57650390904299 0.64622461337356 85.468 > 69 73 Rb 0.12009603662775 0.92349609095701 0.39622461337356 85.468 > 73 74 Rb 0.62009603662775 0.92349609095701 0.39622461337356 85.468 > 73 75 Rb 0.12009603662775 0.92349609095701 0.89622461337356 85.468 > 73 76 Rb 0.62009603662775 0.92349609095701 0.89622461337356 85.468 > 73 77 Rb 0.37990396337225 0.42349609095701 0.35377538662644 85.468 > 77 78 Rb 0.87990396337225 0.42349609095701 0.35377538662644 85.468 > 77 79 Rb 0.37990396337225 0.42349609095701 0.85377538662644 85.468 > 77 80 Rb 0.87990396337225 0.42349609095701 0.85377538662644 85.468 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2834536 0.0000000 -0.3929396 0.0000000 4.6049798 0.0000000 -0.3929417 0.0000000 6.5639108 -------------------------- Born effective charges -------------------------- 1 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 2 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 3 B 0.9903011 -0.1365658 -0.3453992 -0.0034483 0.6743110 -0.0090355 -1.0737458 0.0022542 1.5599220 4 B 0.9903011 0.1365658 -0.3453992 0.0034483 0.6743110 0.0090355 -1.0737458 -0.0022542 1.5599220 5 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 6 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 7 Se -0.8484154 0.0013745 -0.2011980 0.1404685 -0.4578757 0.4862065 0.3133342 0.5288187 -0.5846552 8 Se -0.8484154 -0.0013745 -0.2011980 -0.1404685 -0.4578757 -0.4862065 0.3133342 -0.5288187 -0.5846552 9 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 10 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 11 Se -0.5297418 -0.1394616 0.2254011 0.0226294 -0.8493794 -0.0112154 0.3847322 0.2202566 -0.3993631 12 Se -0.5297418 0.1394616 0.2254011 -0.0226294 -0.8493794 0.0112154 0.3847322 -0.2202566 -0.3993631 13 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 14 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 15 Se -1.0129434 -0.3004564 0.3374811 -0.2300658 -0.8060924 0.0739297 0.3553161 0.2540248 -1.8564734 16 Se -1.0129434 0.3004564 0.3374811 0.2300658 -0.8060924 -0.0739297 0.3553161 -0.2540248 -1.8564734 17 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 18 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 19 Rb 1.4007995 0.0771082 -0.0162850 0.0855829 1.4390364 -0.0288249 0.0203633 -0.0863599 1.2805697 20 Rb 1.4007995 -0.0771082 -0.0162850 -0.0855829 1.4390364 0.0288249 0.0203633 0.0863599 1.2805697 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 8 ] 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: 0.51, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/87) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 16.372 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 17.385 ( 0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 19.308 ( 0.000 0.000 0.000) 0.000 19.343 ( 0.000 0.000 0.000) 0.000 19.708 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/87) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( 8.694 0.000 7.171) 11.269 0.307 ( 14.408 0.000 3.820) 14.905 0.461 ( 21.116 0.000 5.216) 21.751 0.820 ( 1.591 0.000 0.818) 1.789 0.868 ( 1.205 0.000 1.300) 1.773 1.037 ( 3.422 0.000 0.063) 3.422 1.050 ( -1.178 0.000 0.311) 1.219 1.220 ( 1.477 0.000 -0.667) 1.620 1.390 ( -1.502 0.000 0.664) 1.642 1.394 ( -1.117 0.000 0.202) 1.135 1.453 ( -1.615 0.000 1.362) 2.113 1.492 ( -5.428 0.000 11.833) 13.019 1.664 ( -3.743 0.000 2.847) 4.703 1.664 ( 0.585 0.000 -2.286) 2.360 1.751 ( -3.064 0.000 -1.788) 3.548 1.942 ( -0.601 0.000 -3.629) 3.678 2.086 ( -1.861 0.000 -1.480) 2.378 2.092 ( -0.245 0.000 2.351) 2.364 2.126 ( -5.918 0.000 2.141) 6.293 2.219 ( 2.731 0.000 -0.254) 2.743 2.263 ( 2.304 0.000 -1.324) 2.658 2.267 ( 0.820 0.000 -0.113) 0.828 2.317 ( 0.997 0.000 2.899) 3.065 2.628 ( 1.435 0.000 -11.038) 11.130 2.966 ( 0.654 0.000 2.897) 2.970 3.021 ( 1.244 0.000 -0.590) 1.377 3.776 ( -0.317 0.000 -0.030) 0.318 3.800 ( -0.429 0.000 -0.009) 0.429 3.964 ( -0.609 0.000 -0.364) 0.709 4.028 ( 0.042 0.000 0.039) 0.057 4.094 ( 0.204 0.000 -0.260) 0.330 4.135 ( 0.077 0.000 -0.282) 0.292 4.187 ( -0.618 0.000 -0.670) 0.911 4.215 ( 0.196 0.000 0.318) 0.374 4.303 ( -0.554 0.000 -1.191) 1.314 4.312 ( -1.009 0.000 0.892) 1.347 5.327 ( -0.363 0.000 -0.029) 0.365 5.359 ( -0.440 0.000 -0.488) 0.657 5.701 ( 0.112 0.000 0.049) 0.122 5.737 ( 0.007 0.000 0.163) 0.163 6.657 ( -0.284 0.000 -0.040) 0.286 6.689 ( 0.150 0.000 -0.146) 0.209 6.765 ( 0.128 0.000 0.085) 0.154 6.785 ( -0.057 0.000 0.131) 0.143 7.696 ( -0.104 0.000 0.020) 0.106 7.715 ( -0.055 0.000 -0.446) 0.449 8.034 ( -0.136 0.000 -0.063) 0.150 8.040 ( -0.001 0.000 0.012) 0.012 16.377 ( 0.473 0.000 0.151) 0.496 16.420 ( 3.458 0.000 -13.254) 13.698 16.533 ( 1.135 0.000 0.408) 1.206 16.592 ( 0.618 0.000 0.571) 0.842 17.381 ( -0.216 0.000 -0.765) 0.795 17.397 ( 0.964 0.000 -4.388) 4.493 18.044 ( -0.987 0.000 -0.730) 1.227 18.133 ( -1.066 0.000 -1.092) 1.526 19.309 ( -0.022 0.000 0.200) 0.201 19.422 ( -0.138 0.000 0.043) 0.144 19.712 ( 0.374 0.000 0.022) 0.375 19.783 ( 0.673 0.000 1.105) 1.294 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 7.761 0.000 6.307) 10.001 0.602 ( 13.463 0.000 3.194) 13.837 0.818 ( 2.064 0.000 -1.265) 2.421 0.874 ( 13.665 0.000 4.159) 14.283 0.897 ( 0.484 0.000 2.070) 2.126 1.043 ( 0.014 0.000 1.492) 1.492 1.122 ( 3.800 0.000 1.234) 3.996 1.189 ( -3.033 0.000 -3.655) 4.750 1.381 ( 0.432 0.000 -0.744) 0.860 1.392 ( 0.597 0.000 -1.050) 1.208 1.436 ( -0.823 0.000 5.453) 5.514 1.438 ( -4.183 0.000 4.775) 6.348 1.578 ( -6.768 0.000 3.140) 7.461 1.663 ( -3.244 0.000 -4.359) 5.433 1.664 ( 1.229 0.000 -3.689) 3.888 1.933 ( 0.845 0.000 -1.065) 1.359 1.974 ( -7.722 0.000 1.010) 7.787 2.075 ( -2.003 0.000 0.540) 2.074 2.085 ( -0.021 0.000 0.743) 0.743 2.249 ( 1.336 0.000 -1.231) 1.817 2.285 ( 0.485 0.000 0.202) 0.525 2.314 ( -1.733 0.000 -0.555) 1.819 2.342 ( 4.690 0.000 -0.241) 4.696 2.598 ( -0.802 0.000 -1.272) 1.504 3.003 ( 2.105 0.000 -0.185) 2.113 3.043 ( 0.976 0.000 0.020) 0.976 3.769 ( -0.414 0.000 -0.023) 0.415 3.789 ( -0.542 0.000 -0.016) 0.542 3.949 ( -0.712 0.000 0.030) 0.712 4.027 ( -0.131 0.000 0.006) 0.132 4.098 ( 0.280 0.000 -0.164) 0.324 4.135 ( 0.049 0.000 -0.419) 0.422 4.171 ( -0.615 0.000 -0.644) 0.890 4.218 ( 0.028 0.000 0.119) 0.123 4.281 ( -0.904 0.000 -1.262) 1.553 4.295 ( -1.106 0.000 0.983) 1.479 5.318 ( -0.525 0.000 -0.083) 0.531 5.346 ( -0.473 0.000 -0.631) 0.789 5.704 ( 0.113 0.000 0.076) 0.136 5.738 ( -0.022 0.000 0.170) 0.171 6.652 ( -0.200 0.000 -0.092) 0.221 6.690 ( 0.065 0.000 -0.214) 0.223 6.769 ( 0.224 0.000 0.093) 0.243 6.784 ( -0.119 0.000 0.171) 0.208 7.694 ( -0.135 0.000 0.022) 0.137 7.711 ( -0.174 0.000 -0.146) 0.227 8.030 ( -0.150 0.000 -0.068) 0.165 8.040 ( -0.024 0.000 0.003) 0.024 16.391 ( 0.708 0.000 0.465) 0.847 16.418 ( 1.314 0.000 -4.829) 5.005 16.563 ( 1.434 0.000 0.518) 1.525 16.610 ( 0.741 0.000 0.764) 1.065 17.370 ( -0.411 0.000 -0.902) 0.991 17.389 ( 0.119 0.000 -2.344) 2.347 18.015 ( -1.324 0.000 -0.993) 1.655 18.103 ( -1.160 0.000 -1.278) 1.726 19.308 ( -0.106 0.000 0.198) 0.224 19.420 ( -0.131 0.000 0.024) 0.133 19.721 ( 0.421 0.000 0.036) 0.423 19.807 ( 0.873 0.000 1.328) 1.589 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 4.390 0.000 3.428) 5.570 0.785 ( -1.831 0.000 -1.520) 2.380 0.851 ( 9.127 0.000 -0.278) 9.131 0.911 ( 0.765 0.000 4.696) 4.758 1.037 ( -3.116 0.000 -1.143) 3.319 1.103 ( 4.887 0.000 0.690) 4.936 1.108 ( -1.945 0.000 -1.421) 2.409 1.184 ( 2.080 0.000 1.216) 2.409 1.381 ( -0.870 0.000 -1.142) 1.436 1.386 ( 0.810 0.000 -1.251) 1.490 1.427 ( 1.623 0.000 3.208) 3.595 1.438 ( -3.945 0.000 -0.562) 3.985 1.499 ( -0.257 0.000 5.848) 5.854 1.591 ( -1.842 0.000 -3.494) 3.949 1.681 ( 2.728 0.000 -4.228) 5.032 1.826 ( -7.130 0.000 2.283) 7.486 1.953 ( 0.962 0.000 0.327) 1.016 2.036 ( -1.456 0.000 -0.496) 1.538 2.126 ( 3.729 0.000 0.820) 3.818 2.224 ( -4.894 0.000 -1.346) 5.075 2.264 ( 0.604 0.000 -0.490) 0.778 2.311 ( 0.470 0.000 0.111) 0.483 2.411 ( 1.940 0.000 -0.043) 1.941 2.587 ( -0.275 0.000 0.428) 0.509 3.036 ( 1.335 0.000 -0.947) 1.637 3.055 ( 0.037 0.000 0.663) 0.665 3.762 ( -0.187 0.000 -0.004) 0.187 3.781 ( -0.249 0.000 -0.011) 0.250 3.940 ( -0.287 0.000 0.068) 0.295 4.024 ( -0.118 0.000 -0.007) 0.118 4.103 ( 0.209 0.000 -0.030) 0.211 4.133 ( -0.050 0.000 -0.225) 0.231 4.159 ( -0.261 0.000 -0.272) 0.377 4.218 ( -0.030 0.000 -0.008) 0.031 4.261 ( -0.465 0.000 -0.451) 0.648 4.283 ( -0.443 0.000 0.376) 0.581 5.309 ( -0.252 0.000 -0.059) 0.259 5.337 ( -0.195 0.000 -0.266) 0.330 5.706 ( 0.050 0.000 0.042) 0.065 5.738 ( -0.027 0.000 0.061) 0.067 6.649 ( -0.051 0.000 -0.034) 0.061 6.689 ( -0.004 0.000 -0.107) 0.107 6.774 ( 0.171 0.000 0.026) 0.173 6.782 ( -0.119 0.000 0.090) 0.149 7.692 ( -0.062 0.000 0.009) 0.063 7.708 ( -0.083 0.000 -0.035) 0.090 8.028 ( -0.064 0.000 -0.028) 0.070 8.040 ( -0.014 0.000 -0.001) 0.014 16.406 ( 0.365 0.000 0.535) 0.648 16.419 ( 0.426 0.000 -1.569) 1.626 16.587 ( 0.652 0.000 0.229) 0.691 16.624 ( 0.313 0.000 0.365) 0.481 17.359 ( -0.234 0.000 -0.393) 0.457 17.380 ( -0.080 0.000 -0.875) 0.878 17.990 ( -0.612 0.000 -0.469) 0.771 18.081 ( -0.469 0.000 -0.544) 0.718 19.307 ( -0.072 0.000 0.071) 0.101 19.418 ( -0.050 0.000 0.014) 0.052 19.727 ( 0.178 0.000 0.021) 0.179 19.825 ( 0.395 0.000 0.573) 0.696 ======================= Grid point 7 (5/87) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 12.763 0.000) 12.763 0.309 ( 0.000 14.783 0.000) 14.783 0.498 ( 0.000 21.457 0.000) 21.457 0.726 ( 0.000 -4.362 0.000) 4.362 0.799 ( 0.000 -7.343 0.000) 7.343 1.019 ( 0.000 1.119 0.000) 1.119 1.055 ( 0.000 -1.380 0.000) 1.380 1.207 ( 0.000 1.689 0.000) 1.689 1.315 ( 0.000 -6.122 0.000) 6.122 1.375 ( 0.000 -9.020 0.000) 9.020 1.448 ( 0.000 3.419 0.000) 3.419 1.524 ( 0.000 4.961 0.000) 4.961 1.610 ( 0.000 -4.973 0.000) 4.973 1.671 ( 0.000 0.057 0.000) 0.057 1.800 ( 0.000 -0.149 0.000) 0.149 1.896 ( 0.000 -2.421 0.000) 2.421 1.995 ( 0.000 1.476 0.000) 1.476 2.063 ( 0.000 -1.057 0.000) 1.057 2.208 ( 0.000 1.682 0.000) 1.682 2.217 ( 0.000 0.177 0.000) 0.177 2.244 ( 0.000 -0.546 0.000) 0.546 2.265 ( 0.000 -0.564 0.000) 0.564 2.497 ( 0.000 3.798 0.000) 3.798 2.607 ( 0.000 -0.902 0.000) 0.902 2.956 ( 0.000 0.964 0.000) 0.964 3.000 ( 0.000 -0.770 0.000) 0.770 3.797 ( 0.000 -0.041 0.000) 0.041 3.801 ( 0.000 -0.230 0.000) 0.230 3.979 ( 0.000 0.840 0.000) 0.840 4.019 ( 0.000 -0.753 0.000) 0.753 4.096 ( 0.000 0.442 0.000) 0.442 4.127 ( 0.000 -0.753 0.000) 0.753 4.207 ( 0.000 0.206 0.000) 0.206 4.210 ( 0.000 0.042 0.000) 0.042 4.314 ( 0.000 0.154 0.000) 0.154 4.320 ( 0.000 -0.102 0.000) 0.102 5.336 ( 0.000 0.470 0.000) 0.470 5.360 ( 0.000 -0.473 0.000) 0.473 5.707 ( 0.000 0.492 0.000) 0.492 5.732 ( 0.000 -0.474 0.000) 0.474 6.663 ( 0.000 0.382 0.000) 0.382 6.683 ( 0.000 -0.389 0.000) 0.389 6.769 ( 0.000 0.261 0.000) 0.261 6.782 ( 0.000 -0.256 0.000) 0.256 7.699 ( 0.000 0.198 0.000) 0.198 7.710 ( 0.000 -0.215 0.000) 0.215 8.037 ( 0.000 0.162 0.000) 0.162 8.045 ( 0.000 -0.150 0.000) 0.150 16.374 ( 0.000 0.225 0.000) 0.225 16.389 ( 0.000 -0.338 0.000) 0.338 16.531 ( 0.000 0.957 0.000) 0.957 16.575 ( 0.000 -0.792 0.000) 0.792 17.386 ( 0.000 0.056 0.000) 0.056 17.388 ( 0.000 -0.043 0.000) 0.043 18.150 ( 0.000 0.218 0.000) 0.218 18.161 ( 0.000 -0.223 0.000) 0.223 19.313 ( 0.000 0.477 0.000) 0.477 19.338 ( 0.000 -0.477 0.000) 0.477 19.718 ( 0.000 0.866 0.000) 0.866 19.763 ( 0.000 -0.913 0.000) 0.913 ======================= Grid point 8 (6/87) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 5.765 9.356 1.277) 11.063 0.391 ( 6.972 10.207 4.215) 13.059 0.666 ( 10.479 7.165 1.728) 12.811 0.762 ( 4.865 1.394 1.263) 5.217 0.824 ( 2.837 -5.053 0.140) 5.797 1.023 ( 0.469 -0.138 1.667) 1.737 1.047 ( -0.436 -0.651 0.462) 0.910 1.233 ( 2.293 0.902 -0.008) 2.464 1.337 ( -2.243 -5.503 2.412) 6.413 1.380 ( -0.580 -5.164 4.281) 6.733 1.439 ( -0.435 1.237 2.429) 2.760 1.499 ( -1.768 3.287 -1.651) 4.081 1.597 ( -1.347 -4.350 0.702) 4.607 1.658 ( -1.765 -1.815 -1.531) 2.958 1.779 ( -1.393 2.283 -1.214) 2.937 1.903 ( 0.052 -1.993 0.775) 2.139 2.036 ( 1.592 -1.405 -1.333) 2.507 2.078 ( 1.958 -2.342 -0.104) 3.055 2.150 ( -4.521 1.971 1.128) 5.060 2.206 ( -1.490 1.185 -1.035) 2.167 2.248 ( 0.877 -0.260 -0.592) 1.090 2.277 ( 1.425 -0.503 -0.520) 1.598 2.454 ( -2.927 6.289 3.684) 7.854 2.603 ( 0.310 -1.984 -4.561) 4.984 2.967 ( 1.103 0.612 0.403) 1.324 3.011 ( 1.143 -0.872 -0.483) 1.517 3.786 ( -0.643 0.465 -0.290) 0.845 3.797 ( -0.378 -0.212 -0.077) 0.440 3.973 ( -0.561 0.858 -0.105) 1.030 4.018 ( -0.108 -0.907 0.022) 0.913 4.097 ( 0.145 0.364 -0.181) 0.432 4.126 ( -0.049 -0.786 -0.045) 0.789 4.196 ( -0.655 0.636 -0.273) 0.953 4.213 ( 0.026 -0.169 0.360) 0.398 4.307 ( -0.449 0.225 -1.319) 1.412 4.313 ( -0.846 -0.005 0.472) 0.968 5.331 ( -0.392 0.390 -0.248) 0.606 5.354 ( -0.443 -0.486 -0.534) 0.848 5.707 ( 0.096 0.563 0.065) 0.575 5.734 ( 0.064 -0.418 0.156) 0.451 6.661 ( -0.172 0.408 -0.074) 0.449 6.684 ( 0.086 -0.452 -0.108) 0.473 6.769 ( 0.034 0.297 0.091) 0.312 6.782 ( -0.039 -0.246 0.118) 0.276 7.698 ( -0.106 0.200 0.024) 0.228 7.710 ( -0.017 -0.322 -0.138) 0.351 8.036 ( -0.127 0.174 -0.057) 0.222 8.042 ( -0.151 0.004 -0.065) 0.164 16.380 ( 0.570 0.247 -0.169) 0.644 16.402 ( 2.177 -0.947 -5.527) 6.015 16.543 ( 1.029 0.888 0.458) 1.434 16.584 ( 0.675 -0.735 0.576) 1.152 17.382 ( -0.178 0.102 -0.732) 0.760 17.391 ( 0.581 -0.342 -2.243) 2.342 18.094 ( -3.195 2.384 -1.905) 4.418 18.135 ( -1.487 -0.024 -1.017) 1.802 19.315 ( 0.196 0.720 0.215) 0.776 19.377 ( 1.625 -2.526 0.803) 3.109 19.723 ( 0.426 0.959 0.216) 1.071 19.773 ( 0.632 -0.986 0.971) 1.521 ======================= Grid point 9 (7/87) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 6.291 5.000 3.897) 8.931 0.589 ( 10.262 2.114 2.776) 10.839 0.746 ( 1.404 -6.126 -1.369) 6.432 0.872 ( 1.977 -4.446 1.129) 4.995 0.995 ( 7.383 4.710 2.717) 9.169 1.042 ( 0.060 -0.968 2.147) 2.355 1.053 ( 3.167 2.648 2.211) 4.683 1.263 ( -0.175 3.553 -2.832) 4.547 1.307 ( 0.996 -2.387 2.850) 3.849 1.370 ( -1.595 -3.266 1.442) 3.911 1.439 ( -2.123 -0.009 0.917) 2.313 1.471 ( 0.125 1.009 0.332) 1.070 1.566 ( -3.048 -1.672 2.696) 4.399 1.584 ( -2.386 -3.556 -4.294) 6.064 1.756 ( -0.099 5.100 -0.953) 5.190 1.917 ( 0.463 -1.347 1.350) 1.962 2.003 ( -3.429 1.926 -0.741) 4.002 2.056 ( -3.067 0.115 1.066) 3.249 2.112 ( -1.161 0.362 -0.598) 1.356 2.179 ( 0.046 -3.448 -1.874) 3.925 2.271 ( 1.340 -0.348 0.041) 1.385 2.301 ( 0.686 -0.800 -0.706) 1.268 2.441 ( 0.067 5.300 1.366) 5.474 2.581 ( -0.705 -1.684 -0.617) 1.927 3.000 ( 1.968 0.041 -0.433) 2.016 3.033 ( 1.097 -0.909 -0.249) 1.446 3.774 ( -0.517 0.414 -0.102) 0.670 3.787 ( -0.511 -0.184 -0.031) 0.544 3.960 ( -0.643 0.985 0.019) 1.176 4.014 ( -0.267 -1.169 0.002) 1.199 4.100 ( 0.205 0.257 -0.194) 0.382 4.125 ( 0.023 -0.794 -0.237) 0.829 4.183 ( -0.509 0.961 -0.310) 1.131 4.214 ( -0.063 -0.387 0.205) 0.443 4.285 ( -0.941 0.351 -1.072) 1.469 4.295 ( -1.036 -0.031 0.360) 1.097 5.320 ( -0.504 0.272 -0.232) 0.617 5.341 ( -0.490 -0.507 -0.628) 0.944 5.710 ( 0.104 0.567 0.089) 0.583 5.735 ( -0.039 -0.352 0.143) 0.382 6.657 ( -0.157 0.513 -0.102) 0.546 6.684 ( 0.030 -0.538 -0.179) 0.567 6.771 ( 0.166 0.213 0.105) 0.289 6.782 ( -0.070 -0.191 0.155) 0.255 7.696 ( -0.136 0.198 0.023) 0.241 7.708 ( -0.150 -0.276 -0.078) 0.324 8.033 ( -0.142 0.191 -0.066) 0.247 8.040 ( -0.082 -0.064 -0.032) 0.108 16.393 ( 0.786 0.225 0.070) 0.821 16.411 ( 1.224 -0.547 -3.276) 3.540 16.570 ( 1.305 0.708 0.590) 1.598 16.604 ( 0.824 -0.596 0.759) 1.269 17.371 ( -0.360 0.173 -1.009) 1.085 17.385 ( 0.034 -0.378 -1.949) 1.985 18.037 ( -1.846 1.804 -1.256) 2.870 18.097 ( -1.488 -0.644 -1.284) 2.068 19.320 ( 0.083 1.122 0.222) 1.147 19.396 ( 0.313 -2.015 0.214) 2.051 19.734 ( 0.492 1.185 0.264) 1.310 19.794 ( 0.813 -1.169 1.160) 1.836 ======================= Grid point 10 (8/87) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 3.613 2.350 2.614) 5.041 0.732 ( -0.003 -4.307 -0.660) 4.357 0.811 ( 9.007 -2.364 0.181) 9.314 0.902 ( 0.694 -1.401 0.448) 1.626 0.963 ( -5.962 -4.064 1.375) 7.345 1.041 ( -0.306 -3.078 0.785) 3.191 1.160 ( 0.777 3.178 0.332) 3.288 1.276 ( 1.261 3.643 0.134) 3.857 1.354 ( 0.306 -0.784 0.369) 0.919 1.377 ( 3.275 -1.712 1.179) 3.879 1.417 ( 0.873 1.161 -0.169) 1.462 1.431 ( -2.971 -1.919 -1.508) 3.845 1.537 ( -0.227 -0.328 -1.960) 2.000 1.551 ( -1.257 2.403 2.608) 3.763 1.774 ( 2.727 5.558 -0.986) 6.269 1.871 ( -5.493 2.995 0.684) 6.294 1.977 ( 1.024 2.145 1.807) 2.985 2.021 ( -1.057 -0.877 -1.041) 1.724 2.094 ( 0.699 -2.760 -0.666) 2.924 2.152 ( -2.272 -4.539 -0.705) 5.125 2.291 ( 0.344 0.264 -0.088) 0.443 2.297 ( -0.066 -0.274 -0.278) 0.396 2.461 ( 0.868 3.646 0.263) 3.757 2.573 ( -0.193 -1.380 0.362) 1.439 3.030 ( 1.120 -0.354 -0.666) 1.350 3.047 ( 0.241 -0.746 0.274) 0.830 3.766 ( -0.212 0.343 -0.008) 0.403 3.779 ( -0.242 -0.165 -0.005) 0.293 3.951 ( -0.268 1.043 0.040) 1.078 4.010 ( -0.159 -1.313 -0.005) 1.323 4.103 ( 0.109 0.117 -0.100) 0.188 4.124 ( 0.033 -0.694 -0.094) 0.701 4.174 ( -0.205 1.207 -0.171) 1.236 4.214 ( -0.056 -0.463 0.054) 0.470 4.266 ( -0.488 0.392 -0.390) 0.737 4.281 ( -0.448 -0.194 0.142) 0.508 5.311 ( -0.238 0.248 -0.107) 0.360 5.331 ( -0.203 -0.522 -0.261) 0.618 5.712 ( 0.034 0.533 0.042) 0.536 5.734 ( -0.032 -0.351 0.053) 0.356 6.655 ( -0.045 0.547 -0.041) 0.550 6.683 ( -0.011 -0.563 -0.091) 0.571 6.775 ( 0.129 0.122 0.035) 0.181 6.781 ( -0.074 -0.102 0.078) 0.148 7.694 ( -0.063 0.194 0.009) 0.204 7.705 ( -0.077 -0.242 -0.020) 0.255 8.030 ( -0.061 0.203 -0.028) 0.214 8.039 ( -0.031 -0.118 -0.011) 0.123 16.407 ( 0.387 0.134 0.287) 0.500 16.416 ( 0.431 -0.223 -1.144) 1.242 16.593 ( 0.592 0.556 0.264) 0.854 16.619 ( 0.355 -0.473 0.358) 0.692 17.361 ( -0.219 0.190 -0.457) 0.541 17.376 ( -0.106 -0.390 -0.789) 0.887 18.007 ( -0.688 1.487 -0.504) 1.715 18.071 ( -0.577 -0.987 -0.547) 1.267 19.321 ( -0.010 1.334 0.076) 1.336 19.399 ( 0.029 -1.726 0.044) 1.727 19.742 ( 0.211 1.372 0.117) 1.393 19.811 ( 0.366 -1.323 0.501) 1.461 ======================= Grid point 14 (9/87) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 -10.396 0.000) 10.396 0.506 ( 0.000 10.396 0.000) 10.396 0.587 ( 0.000 -12.312 0.000) 12.312 0.587 ( 0.000 12.312 0.000) 12.312 0.974 ( 0.000 -13.447 0.000) 13.447 0.974 ( 0.000 13.447 0.000) 13.447 1.071 ( 0.000 -8.089 0.000) 8.089 1.071 ( 0.000 8.089 0.000) 8.089 1.259 ( 0.000 -3.428 0.000) 3.428 1.259 ( 0.000 3.428 0.000) 3.428 1.520 ( 0.000 -3.393 0.000) 3.393 1.520 ( 0.000 3.393 0.000) 3.393 1.631 ( 0.000 -3.932 0.000) 3.932 1.631 ( 0.000 3.932 0.000) 3.932 1.832 ( 0.000 -3.176 0.000) 3.176 1.832 ( 0.000 3.176 0.000) 3.176 2.033 ( 0.000 -1.937 0.000) 1.937 2.033 ( 0.000 1.937 0.000) 1.937 2.220 ( 0.000 -0.152 0.000) 0.152 2.220 ( 0.000 0.152 0.000) 0.152 2.250 ( 0.000 -0.891 0.000) 0.891 2.250 ( 0.000 0.891 0.000) 0.891 2.570 ( 0.000 -2.863 0.000) 2.863 2.570 ( 0.000 2.863 0.000) 2.863 2.980 ( 0.000 -1.209 0.000) 1.209 2.980 ( 0.000 1.209 0.000) 1.209 3.798 ( 0.000 -0.101 0.000) 0.101 3.798 ( 0.000 0.101 0.000) 0.101 4.000 ( 0.000 -1.074 0.000) 1.074 4.000 ( 0.000 1.074 0.000) 1.074 4.110 ( 0.000 -0.826 0.000) 0.826 4.110 ( 0.000 0.826 0.000) 0.826 4.211 ( 0.000 -0.066 0.000) 0.066 4.211 ( 0.000 0.066 0.000) 0.066 4.317 ( 0.000 -0.176 0.000) 0.176 4.317 ( 0.000 0.176 0.000) 0.176 5.348 ( 0.000 -0.667 0.000) 0.667 5.348 ( 0.000 0.667 0.000) 0.667 5.719 ( 0.000 -0.683 0.000) 0.683 5.719 ( 0.000 0.683 0.000) 0.683 6.673 ( 0.000 -0.545 0.000) 0.545 6.673 ( 0.000 0.545 0.000) 0.545 6.775 ( 0.000 -0.365 0.000) 0.365 6.775 ( 0.000 0.365 0.000) 0.365 7.705 ( 0.000 -0.292 0.000) 0.292 7.705 ( 0.000 0.292 0.000) 0.292 8.041 ( 0.000 -0.220 0.000) 0.220 8.041 ( 0.000 0.220 0.000) 0.220 16.381 ( 0.000 -0.415 0.000) 0.415 16.381 ( 0.000 0.415 0.000) 0.415 16.554 ( 0.000 -1.220 0.000) 1.220 16.554 ( 0.000 1.220 0.000) 1.220 17.387 ( 0.000 -0.069 0.000) 0.069 17.387 ( 0.000 0.069 0.000) 0.069 18.156 ( 0.000 -0.311 0.000) 0.311 18.156 ( 0.000 0.311 0.000) 0.311 19.325 ( 0.000 -0.676 0.000) 0.676 19.325 ( 0.000 0.676 0.000) 0.676 19.740 ( 0.000 -1.257 0.000) 1.257 19.740 ( 0.000 1.257 0.000) 1.257 ======================= Grid point 16 (10/87) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 2.699 -9.680 -0.393) 10.057 0.536 ( 2.699 9.680 -0.393) 10.057 0.628 ( 3.313 -11.131 1.725) 11.741 0.628 ( 3.313 11.131 1.725) 11.741 1.006 ( 1.689 -4.946 0.272) 5.233 1.006 ( 1.689 4.946 0.272) 5.233 1.100 ( 3.937 -12.171 2.015) 12.949 1.100 ( 3.937 12.171 2.015) 12.949 1.289 ( 0.851 -3.362 3.802) 5.146 1.289 ( 0.851 3.362 3.802) 5.146 1.505 ( -1.364 -3.582 -0.461) 3.860 1.505 ( -1.364 3.582 -0.461) 3.860 1.590 ( -2.896 -3.929 -2.342) 5.414 1.590 ( -2.896 3.929 -2.342) 5.414 1.847 ( 0.714 -3.763 1.234) 4.024 1.847 ( 0.714 3.763 1.234) 4.024 2.039 ( 0.846 -1.445 -1.094) 2.000 2.039 ( 0.846 1.445 -1.094) 2.000 2.191 ( -2.621 -1.872 -0.023) 3.221 2.191 ( -2.621 1.872 -0.023) 3.221 2.262 ( 1.034 -0.948 -0.228) 1.421 2.262 ( 1.034 0.948 -0.228) 1.421 2.550 ( -1.694 -3.475 0.576) 3.909 2.550 ( -1.694 3.475 0.576) 3.909 2.989 ( 1.063 -1.260 -0.595) 1.753 2.989 ( 1.063 1.260 -0.595) 1.753 3.793 ( -0.411 -0.232 -0.189) 0.509 3.793 ( -0.411 0.232 -0.189) 0.509 3.995 ( -0.389 -1.241 -0.025) 1.300 3.995 ( -0.389 1.241 -0.025) 1.300 4.109 ( -0.015 -0.759 -0.050) 0.760 4.109 ( -0.015 0.759 -0.050) 0.760 4.207 ( -0.309 -0.423 0.186) 0.556 4.207 ( -0.309 0.423 0.186) 0.556 4.311 ( -0.537 -0.167 -0.547) 0.784 4.311 ( -0.537 0.167 -0.547) 0.784 5.342 ( -0.453 -0.648 -0.454) 0.911 5.342 ( -0.453 0.648 -0.454) 0.911 5.721 ( 0.127 -0.746 0.122) 0.767 5.721 ( 0.127 0.746 0.122) 0.767 6.672 ( -0.045 -0.614 -0.092) 0.622 6.672 ( -0.045 0.614 -0.092) 0.622 6.775 ( -0.004 -0.362 0.107) 0.378 6.775 ( -0.004 0.362 0.107) 0.378 7.704 ( -0.086 -0.320 -0.003) 0.331 7.704 ( -0.086 0.320 -0.003) 0.331 8.040 ( -0.118 -0.202 -0.060) 0.241 8.040 ( -0.118 0.202 -0.060) 0.241 16.388 ( 0.964 -0.550 -1.428) 1.808 16.388 ( 0.964 0.550 -1.428) 1.808 16.564 ( 0.833 -1.129 0.547) 1.506 16.564 ( 0.833 1.129 0.547) 1.506 17.385 ( 0.063 -0.222 -1.122) 1.146 17.385 ( 0.063 0.222 -1.122) 1.146 18.125 ( -2.223 -0.952 -1.348) 2.768 18.125 ( -2.223 0.952 -1.348) 2.768 19.338 ( 0.818 -1.469 0.455) 1.742 19.338 ( 0.818 1.469 0.455) 1.742 19.748 ( 0.535 -1.372 0.613) 1.595 19.748 ( 0.535 1.372 0.613) 1.595 ======================= Grid point 18 (11/87) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 3.315 -7.119 0.061) 7.853 0.597 ( 3.315 7.119 0.061) 7.853 0.718 ( 4.680 -8.364 1.561) 9.711 0.718 ( 4.680 8.364 1.561) 9.711 1.014 ( -1.367 -1.500 2.368) 3.119 1.014 ( -1.367 1.500 2.368) 3.119 1.224 ( 4.072 -7.187 2.397) 8.601 1.224 ( 4.072 7.187 2.397) 8.601 1.317 ( 2.040 -1.470 0.542) 2.572 1.317 ( 2.040 1.470 0.542) 2.572 1.457 ( -2.775 -2.484 -1.566) 4.040 1.457 ( -2.775 2.484 -1.566) 4.040 1.538 ( -0.558 -0.559 -0.398) 0.885 1.538 ( -0.558 0.559 -0.398) 0.885 1.859 ( -0.140 -4.490 1.397) 4.704 1.859 ( -0.140 4.490 1.397) 4.704 2.046 ( -0.248 -2.189 0.079) 2.204 2.046 ( -0.248 2.189 0.079) 2.204 2.127 ( -3.173 -2.144 -1.796) 4.230 2.127 ( -3.173 2.144 -1.796) 4.230 2.281 ( 0.844 -1.058 -0.123) 1.359 2.281 ( 0.844 1.058 -0.123) 1.359 2.529 ( -0.642 -3.466 0.898) 3.637 2.529 ( -0.642 3.466 0.898) 3.637 3.012 ( 1.436 -1.017 -0.615) 1.864 3.012 ( 1.436 1.017 -0.615) 1.864 3.782 ( -0.517 -0.359 -0.091) 0.636 3.782 ( -0.517 0.359 -0.091) 0.636 3.986 ( -0.491 -1.485 -0.006) 1.564 3.986 ( -0.491 1.485 -0.006) 1.564 4.109 ( 0.076 -0.652 -0.152) 0.673 4.109 ( 0.076 0.652 -0.152) 0.673 4.202 ( -0.290 -0.822 0.141) 0.883 4.202 ( -0.290 0.822 0.141) 0.883 4.292 ( -0.948 -0.283 -0.544) 1.129 4.292 ( -0.948 0.283 -0.544) 1.129 5.329 ( -0.512 -0.577 -0.494) 0.916 5.329 ( -0.512 0.577 -0.494) 0.916 5.724 ( 0.037 -0.695 0.114) 0.705 5.724 ( 0.037 0.695 0.114) 0.705 6.670 ( -0.062 -0.737 -0.131) 0.751 6.670 ( -0.062 0.737 -0.131) 0.751 6.777 ( 0.045 -0.284 0.129) 0.315 6.777 ( 0.045 0.284 0.129) 0.315 7.701 ( -0.138 -0.323 -0.001) 0.352 7.701 ( -0.138 0.323 -0.001) 0.352 8.037 ( -0.124 -0.210 -0.060) 0.251 8.037 ( -0.124 0.210 -0.060) 0.251 16.400 ( 0.979 -0.476 -1.142) 1.577 16.400 ( 0.979 0.476 -1.142) 1.577 16.588 ( 1.044 -0.914 0.707) 1.557 16.588 ( 1.044 0.914 0.707) 1.557 17.377 ( -0.189 -0.367 -1.371) 1.432 17.377 ( -0.189 0.367 -1.371) 1.432 18.074 ( -1.938 -1.595 -1.338) 2.844 18.074 ( -1.938 1.595 -1.338) 2.844 19.352 ( 0.400 -2.021 0.282) 2.079 19.352 ( 0.400 2.021 0.282) 2.079 19.764 ( 0.660 -1.651 0.738) 1.925 19.764 ( 0.660 1.651 0.738) 1.925 ======================= Grid point 20 (12/87) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 1.621 -3.461 0.244) 3.830 0.651 ( 1.621 3.461 0.244) 3.830 0.817 ( 4.082 -3.487 0.487) 5.390 0.817 ( 4.082 3.487 0.487) 5.390 0.978 ( -2.852 -2.890 1.363) 4.283 0.978 ( -2.852 2.890 1.363) 4.283 1.233 ( -1.203 -4.119 0.641) 4.339 1.233 ( -1.203 4.119 0.641) 4.339 1.374 ( 1.338 -1.387 -0.874) 2.116 1.374 ( 1.338 1.387 -0.874) 2.116 1.415 ( -0.374 -1.473 -0.545) 1.614 1.415 ( -0.374 1.473 -0.545) 1.614 1.563 ( 1.827 -1.549 0.756) 2.511 1.563 ( 1.827 1.549 0.756) 2.511 1.870 ( 0.809 -3.393 0.853) 3.591 1.870 ( 0.809 3.393 0.853) 3.591 2.021 ( -2.248 -2.401 0.431) 3.318 2.021 ( -2.248 2.401 0.431) 3.318 2.067 ( -1.177 -3.213 -1.396) 3.695 2.067 ( -1.177 3.213 -1.396) 3.695 2.292 ( 0.387 -0.445 -0.143) 0.606 2.292 ( 0.387 0.445 -0.143) 0.606 2.529 ( 0.072 -2.898 0.413) 2.928 2.529 ( 0.072 2.898 0.413) 2.928 3.031 ( 0.658 -0.570 -0.261) 0.908 3.031 ( 0.658 0.570 -0.261) 0.908 3.774 ( -0.234 -0.374 -0.005) 0.442 3.774 ( -0.234 0.374 -0.005) 0.442 3.978 ( -0.226 -1.598 0.004) 1.614 3.978 ( -0.226 1.598 0.004) 1.614 4.110 ( 0.058 -0.608 -0.084) 0.617 4.110 ( 0.058 0.608 -0.084) 0.617 4.199 ( -0.114 -1.034 0.039) 1.041 4.199 ( -0.114 1.034 0.039) 1.041 4.275 ( -0.476 -0.429 -0.209) 0.674 4.275 ( -0.476 0.429 -0.209) 0.674 5.319 ( -0.220 -0.548 -0.205) 0.625 5.319 ( -0.220 0.548 -0.205) 0.625 5.724 ( -0.006 -0.625 0.044) 0.626 5.724 ( -0.006 0.625 0.044) 0.626 6.669 ( -0.028 -0.782 -0.062) 0.785 6.669 ( -0.028 0.782 -0.062) 0.785 6.778 ( 0.029 -0.160 0.055) 0.172 6.778 ( 0.029 0.160 0.055) 0.172 7.699 ( -0.067 -0.307 0.001) 0.314 7.699 ( -0.067 0.307 0.001) 0.314 8.035 ( -0.051 -0.235 -0.024) 0.241 8.035 ( -0.051 0.235 -0.024) 0.241 16.411 ( 0.420 -0.252 -0.345) 0.600 16.411 ( 0.420 0.252 -0.345) 0.600 16.607 ( 0.465 -0.727 0.325) 0.922 16.607 ( 0.465 0.727 0.325) 0.922 17.367 ( -0.168 -0.414 -0.613) 0.759 17.367 ( -0.168 0.414 -0.613) 0.759 18.042 ( -0.715 -1.741 -0.541) 1.958 18.042 ( -0.715 1.741 -0.541) 1.958 19.358 ( 0.072 -2.121 0.076) 2.124 19.358 ( 0.072 2.121 0.076) 2.124 19.777 ( 0.292 -1.889 0.320) 1.938 19.777 ( 0.292 1.889 0.320) 1.938 ======================= Grid point 35 (13/87) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.045 0.000 14.436) 14.436 0.328 ( 2.735 0.000 15.029) 15.276 0.723 ( -3.972 0.000 28.064) 28.344 0.864 ( 0.797 0.000 1.422) 1.630 0.954 ( -1.568 0.000 9.688) 9.814 1.077 ( 0.161 0.000 1.233) 1.243 1.147 ( 1.792 0.000 -4.442) 4.790 1.220 ( -4.388 0.000 17.096) 17.650 1.414 ( -1.684 0.000 3.305) 3.709 1.415 ( -0.480 0.000 0.617) 0.781 1.476 ( 0.867 0.000 1.121) 1.417 1.626 ( -1.585 0.000 -2.899) 3.304 1.687 ( 2.473 0.000 0.203) 2.481 1.727 ( 10.438 0.000 1.719) 10.578 1.801 ( -1.748 0.000 -0.093) 1.751 1.919 ( -3.239 0.000 0.392) 3.263 1.948 ( -2.904 0.000 0.014) 2.904 2.093 ( 2.471 0.000 0.036) 2.471 2.137 ( 3.419 0.000 -3.084) 4.604 2.180 ( -0.275 0.000 0.082) 0.287 2.202 ( 1.164 0.000 -4.648) 4.791 2.241 ( -1.186 0.000 1.570) 1.967 2.267 ( -2.275 0.000 1.214) 2.578 2.504 ( -0.774 0.000 1.021) 1.281 2.957 ( 1.461 0.000 -4.629) 4.854 2.984 ( -1.331 0.000 -4.965) 5.140 3.770 ( 0.291 0.000 -1.459) 1.488 3.781 ( 0.686 0.000 -2.518) 2.610 4.004 ( -1.088 0.000 2.155) 2.414 4.047 ( -0.149 0.000 1.647) 1.653 4.158 ( -0.039 0.000 -2.048) 2.048 4.162 ( -2.076 0.000 6.651) 6.967 4.163 ( 0.864 0.000 -2.808) 2.938 4.205 ( -1.090 0.000 6.439) 6.530 4.363 ( -1.309 0.000 4.177) 4.377 4.395 ( -1.247 0.000 4.781) 4.941 5.316 ( 0.364 0.000 -1.308) 1.358 5.352 ( -0.283 0.000 -1.436) 1.464 5.696 ( 0.179 0.000 -0.495) 0.526 5.731 ( 0.392 0.000 -0.658) 0.766 6.652 ( 0.060 0.000 -0.712) 0.714 6.680 ( 0.098 0.000 -0.680) 0.687 6.740 ( 0.688 0.000 -2.104) 2.214 6.759 ( 0.783 0.000 -2.338) 2.466 7.709 ( -0.260 0.000 1.081) 1.112 7.726 ( -0.525 0.000 1.144) 1.259 8.022 ( 0.278 0.000 -1.290) 1.320 8.028 ( 0.341 0.000 -1.173) 1.221 16.475 ( -2.154 0.000 8.727) 8.989 16.524 ( 0.283 0.000 0.577) 0.643 16.584 ( 0.530 0.000 0.251) 0.586 16.830 ( -12.268 0.000 2.893) 12.604 17.418 ( -1.805 0.000 3.288) 3.751 17.582 ( -11.522 0.000 4.200) 12.264 18.116 ( -2.209 0.000 4.904) 5.378 18.193 ( -2.147 0.000 3.882) 4.436 19.323 ( -0.446 0.000 1.291) 1.366 19.376 ( 2.014 0.000 2.291) 3.050 19.668 ( 1.049 0.000 -3.603) 3.752 19.745 ( 1.905 0.000 -2.476) 3.125 ======================= Grid point 36 (14/87) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 7.447 0.000 10.327) 12.731 0.571 ( 11.620 0.000 9.160) 14.796 0.840 ( 0.560 0.000 27.742) 27.748 0.906 ( 2.261 0.000 2.342) 3.255 1.010 ( 1.985 0.000 7.179) 7.448 1.090 ( -0.106 0.000 3.724) 3.725 1.145 ( 0.022 0.000 -5.443) 5.443 1.217 ( -4.682 0.000 17.163) 17.790 1.377 ( -3.036 0.000 1.356) 3.325 1.389 ( -1.374 0.000 -0.184) 1.386 1.492 ( -0.353 0.000 1.207) 1.257 1.576 ( -1.707 0.000 -3.458) 3.857 1.688 ( -4.299 0.000 -1.956) 4.723 1.715 ( -6.818 0.000 5.747) 8.917 1.745 ( -1.497 0.000 1.982) 2.484 1.904 ( -1.759 0.000 0.845) 1.951 1.981 ( 3.850 0.000 -4.691) 6.069 2.110 ( -0.985 0.000 -0.533) 1.119 2.153 ( -1.971 0.000 -1.141) 2.278 2.217 ( 1.538 0.000 -3.979) 4.266 2.221 ( 2.426 0.000 0.398) 2.458 2.232 ( 2.445 0.000 -1.407) 2.821 2.249 ( 2.038 0.000 -0.179) 2.046 2.555 ( 3.185 0.000 1.495) 3.518 2.932 ( -0.195 0.000 -5.324) 5.328 2.965 ( 2.102 0.000 -4.768) 5.211 3.761 ( -0.087 0.000 -2.143) 2.145 3.780 ( 0.366 0.000 -2.012) 2.045 3.995 ( -1.082 0.000 2.417) 2.648 4.052 ( -0.243 0.000 1.780) 1.797 4.143 ( -0.247 0.000 -1.995) 2.011 4.158 ( -1.818 0.000 6.463) 6.714 4.161 ( 0.629 0.000 -3.077) 3.141 4.211 ( -2.022 0.000 6.567) 6.871 4.354 ( -1.871 0.000 4.248) 4.642 4.389 ( -1.896 0.000 4.923) 5.275 5.313 ( 0.001 0.000 -1.178) 1.178 5.336 ( -0.323 0.000 -1.628) 1.660 5.698 ( 0.268 0.000 -0.479) 0.548 5.735 ( 0.293 0.000 -0.498) 0.578 6.647 ( -0.062 0.000 -0.830) 0.832 6.678 ( 0.153 0.000 -0.797) 0.811 6.743 ( 0.734 0.000 -2.028) 2.156 6.762 ( 0.698 0.000 -2.206) 2.314 7.708 ( -0.395 0.000 1.084) 1.154 7.723 ( -0.425 0.000 1.143) 1.219 8.019 ( 0.190 0.000 -1.298) 1.312 8.028 ( 0.315 0.000 -1.165) 1.207 16.484 ( -1.664 0.000 8.808) 8.964 16.542 ( 1.137 0.000 0.666) 1.317 16.597 ( -11.383 0.000 12.590) 16.973 16.600 ( 0.822 0.000 0.414) 0.921 17.405 ( -1.223 0.000 3.105) 3.337 17.453 ( -4.723 0.000 6.292) 7.867 18.090 ( -2.764 0.000 4.327) 5.135 18.168 ( -2.357 0.000 4.116) 4.743 19.322 ( -0.386 0.000 0.980) 1.053 19.417 ( 0.848 0.000 1.210) 1.477 19.673 ( 1.326 0.000 -3.562) 3.801 19.772 ( 1.876 0.000 -2.067) 2.791 ======================= Grid point 37 (15/87) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 8.528 0.000 4.042) 9.438 0.807 ( 6.242 0.000 11.527) 13.109 0.963 ( 1.429 0.000 3.859) 4.115 1.000 ( 1.572 0.000 15.189) 15.270 1.075 ( -2.618 0.000 -2.746) 3.794 1.077 ( 0.648 0.000 9.034) 9.058 1.126 ( -0.102 0.000 2.572) 2.574 1.225 ( -4.105 0.000 15.979) 16.498 1.334 ( 0.121 0.000 -2.710) 2.712 1.367 ( -0.676 0.000 -0.557) 0.875 1.470 ( -1.723 0.000 -1.660) 2.393 1.533 ( -1.437 0.000 2.087) 2.534 1.569 ( -5.024 0.000 -2.827) 5.765 1.636 ( -3.617 0.000 3.350) 4.930 1.714 ( -4.536 0.000 6.969) 8.315 1.905 ( 1.969 0.000 -1.733) 2.623 1.982 ( -2.251 0.000 -0.443) 2.294 2.061 ( -2.715 0.000 -1.181) 2.961 2.091 ( -2.190 0.000 0.682) 2.294 2.219 ( 0.029 0.000 -5.908) 5.908 2.250 ( 1.340 0.000 0.866) 1.596 2.263 ( 1.670 0.000 -1.447) 2.210 2.340 ( 4.924 0.000 0.055) 4.924 2.596 ( 0.274 0.000 0.495) 0.566 2.923 ( 2.189 0.000 -6.327) 6.695 2.993 ( 3.110 0.000 -4.664) 5.606 3.748 ( 0.080 0.000 -2.481) 2.482 3.774 ( 0.093 0.000 -1.724) 1.726 3.986 ( -1.167 0.000 2.757) 2.994 4.055 ( -0.453 0.000 1.984) 2.035 4.130 ( -0.058 0.000 -1.868) 1.869 4.156 ( 0.592 0.000 -3.062) 3.118 4.160 ( -1.406 0.000 6.282) 6.437 4.201 ( -2.295 0.000 6.237) 6.646 4.337 ( -2.018 0.000 4.398) 4.839 4.376 ( -2.095 0.000 5.078) 5.493 5.304 ( -0.249 0.000 -1.108) 1.136 5.326 ( 0.114 0.000 -1.204) 1.209 5.701 ( 0.249 0.000 -0.482) 0.543 5.736 ( 0.088 0.000 -0.481) 0.489 6.643 ( 0.063 0.000 -0.737) 0.739 6.678 ( 0.234 0.000 -0.914) 0.944 6.747 ( 0.733 0.000 -2.073) 2.198 6.762 ( 0.514 0.000 -2.124) 2.186 7.705 ( -0.438 0.000 1.063) 1.150 7.721 ( -0.433 0.000 1.086) 1.169 8.016 ( 0.211 0.000 -1.269) 1.287 8.028 ( 0.290 0.000 -1.161) 1.197 16.504 ( -1.098 0.000 8.884) 8.951 16.513 ( -4.579 0.000 10.075) 11.067 16.569 ( 1.115 0.000 0.278) 1.149 16.615 ( 0.497 0.000 -0.001) 0.497 17.403 ( -0.932 0.000 3.786) 3.899 17.423 ( -1.828 0.000 5.278) 5.585 18.062 ( -2.333 0.000 4.777) 5.316 18.150 ( -1.895 0.000 5.325) 5.652 19.317 ( -0.485 0.000 0.688) 0.842 19.428 ( -0.182 0.000 1.217) 1.230 19.680 ( 1.320 0.000 -3.731) 3.958 19.791 ( 1.235 0.000 -2.664) 2.936 ======================= Grid point 38 (16/87) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.712 0.000 -2.857) 4.684 0.910 ( -4.925 0.000 14.220) 15.049 0.990 ( -3.566 0.000 -1.650) 3.929 1.008 ( 0.508 0.000 3.522) 3.558 1.033 ( 0.259 0.000 5.755) 5.761 1.131 ( -0.976 0.000 3.021) 3.175 1.135 ( -1.745 0.000 11.259) 11.393 1.226 ( -2.220 0.000 9.090) 9.357 1.341 ( 0.367 0.000 0.404) 0.546 1.376 ( 2.098 0.000 0.605) 2.183 1.406 ( -2.981 0.000 -3.193) 4.369 1.483 ( -2.753 0.000 -1.266) 3.030 1.533 ( -3.905 0.000 5.584) 6.814 1.640 ( 5.217 0.000 1.372) 5.394 1.674 ( -2.353 0.000 6.044) 6.486 1.886 ( -6.725 0.000 2.746) 7.264 1.932 ( 1.056 0.000 -1.988) 2.251 2.021 ( -0.364 0.000 -0.500) 0.618 2.115 ( 3.624 0.000 -1.797) 4.045 2.160 ( -2.395 0.000 -3.826) 4.514 2.278 ( 0.757 0.000 -2.088) 2.221 2.281 ( 0.982 0.000 1.569) 1.851 2.412 ( 1.964 0.000 0.169) 1.972 2.583 ( -1.078 0.000 -0.741) 1.308 2.939 ( 2.752 0.000 -6.798) 7.334 3.024 ( 2.061 0.000 -3.978) 4.480 3.740 ( 0.487 0.000 -2.459) 2.507 3.768 ( 0.247 0.000 -1.642) 1.661 3.979 ( -1.107 0.000 2.995) 3.193 4.055 ( -0.625 0.000 2.095) 2.186 4.124 ( 0.476 0.000 -1.765) 1.828 4.155 ( 0.851 0.000 -2.774) 2.902 4.168 ( -1.360 0.000 6.470) 6.612 4.192 ( -1.662 0.000 5.677) 5.915 4.326 ( -1.463 0.000 4.577) 4.806 4.364 ( -1.844 0.000 5.086) 5.410 5.297 ( 0.142 0.000 -0.961) 0.971 5.327 ( 0.480 0.000 -0.613) 0.779 5.702 ( 0.119 0.000 -0.549) 0.561 5.734 ( 0.022 0.000 -0.557) 0.557 6.642 ( 0.196 0.000 -0.619) 0.649 6.679 ( 0.382 0.000 -0.869) 0.949 6.749 ( 0.646 0.000 -2.220) 2.312 6.759 ( 0.382 0.000 -2.137) 2.171 7.703 ( -0.361 0.000 1.041) 1.102 7.719 ( -0.335 0.000 1.092) 1.142 8.015 ( 0.315 0.000 -1.226) 1.266 8.027 ( 0.300 0.000 -1.162) 1.200 16.492 ( -2.737 0.000 7.896) 8.357 16.535 ( -0.699 0.000 9.563) 9.588 16.583 ( 0.278 0.000 -0.264) 0.383 16.616 ( -0.189 0.000 -0.761) 0.784 17.409 ( -0.780 0.000 5.139) 5.198 17.433 ( -0.259 0.000 5.867) 5.873 18.055 ( -1.246 0.000 5.920) 6.049 18.152 ( -1.201 0.000 6.586) 6.694 19.312 ( -0.322 0.000 0.589) 0.671 19.427 ( -0.460 0.000 0.857) 0.973 19.684 ( 1.151 0.000 -3.928) 4.094 19.789 ( 0.338 0.000 -3.839) 3.854 ======================= Grid point 39 (17/87) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -6.634 0.000 -6.352) 9.185 0.797 ( -10.827 0.000 10.029) 14.758 0.918 ( -2.558 0.000 3.605) 4.420 1.040 ( 0.188 0.000 -0.160) 0.247 1.070 ( -1.168 0.000 -2.547) 2.802 1.142 ( -5.356 0.000 18.290) 19.058 1.151 ( 2.760 0.000 1.634) 3.207 1.197 ( -6.217 0.000 14.792) 16.045 1.318 ( -2.514 0.000 -7.480) 7.891 1.354 ( -0.035 0.000 0.257) 0.259 1.442 ( -1.367 0.000 2.146) 2.544 1.467 ( -1.965 0.000 4.092) 4.540 1.467 ( 3.903 0.000 2.673) 4.731 1.690 ( 0.922 0.000 4.274) 4.372 1.771 ( -1.126 0.000 3.511) 3.687 1.809 ( 4.560 0.000 1.043) 4.678 1.932 ( 0.432 0.000 -1.148) 1.227 2.032 ( 1.097 0.000 -0.679) 1.290 2.068 ( -2.639 0.000 -4.801) 5.479 2.209 ( 4.436 0.000 -2.410) 5.048 2.273 ( 0.124 0.000 -2.201) 2.205 2.301 ( -0.172 0.000 2.464) 2.470 2.413 ( -1.860 0.000 0.231) 1.874 2.562 ( 0.176 0.000 -1.905) 1.913 2.950 ( 1.762 0.000 -6.741) 6.967 3.028 ( 0.405 0.000 -3.153) 3.179 3.741 ( 0.935 0.000 -2.292) 2.475 3.768 ( 0.653 0.000 -1.656) 1.780 3.977 ( -0.624 0.000 3.084) 3.146 4.053 ( -0.681 0.000 1.874) 1.994 4.129 ( 1.037 0.000 -1.781) 2.061 4.160 ( 1.040 0.000 -2.480) 2.689 4.171 ( -1.824 0.000 6.602) 6.849 4.198 ( -0.967 0.000 5.698) 5.779 4.331 ( -0.574 0.000 4.697) 4.732 4.360 ( -1.257 0.000 4.969) 5.125 5.299 ( 0.578 0.000 -0.847) 1.025 5.338 ( 0.737 0.000 -0.204) 0.764 5.700 ( 0.039 0.000 -0.650) 0.651 5.732 ( 0.058 0.000 -0.668) 0.671 6.644 ( 0.285 0.000 -0.523) 0.595 6.683 ( 0.402 0.000 -0.730) 0.833 6.747 ( 0.410 0.000 -2.360) 2.395 6.756 ( 0.517 0.000 -2.241) 2.299 7.702 ( -0.231 0.000 1.033) 1.058 7.720 ( -0.147 0.000 1.117) 1.126 8.016 ( 0.437 0.000 -1.195) 1.272 8.027 ( 0.325 0.000 -1.174) 1.218 16.482 ( -2.436 0.000 7.224) 7.624 16.576 ( -0.845 0.000 -0.491) 0.977 16.585 ( 0.443 0.000 11.528) 11.536 16.603 ( -0.498 0.000 -1.257) 1.352 17.426 ( -0.592 0.000 5.742) 5.772 17.472 ( 0.363 0.000 7.965) 7.973 18.074 ( -0.411 0.000 6.714) 6.726 18.170 ( -0.733 0.000 7.126) 7.164 19.312 ( -0.087 0.000 0.759) 0.764 19.420 ( -0.502 0.000 0.116) 0.515 19.684 ( 0.932 0.000 -3.914) 4.024 19.766 ( -0.198 0.000 -4.855) 4.859 ======================= Grid point 40 (18/87) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -10.713 0.000 -1.068) 10.766 0.622 ( -11.461 0.000 6.306) 13.081 0.893 ( -2.164 0.000 2.172) 3.067 0.910 ( -14.598 0.000 9.822) 17.594 1.036 ( 0.146 0.000 0.426) 0.450 1.064 ( -7.379 0.000 9.665) 12.160 1.227 ( -1.928 0.000 -4.550) 4.942 1.240 ( -3.458 0.000 21.490) 21.766 1.250 ( 6.011 0.000 -4.126) 7.291 1.329 ( -0.575 0.000 -1.011) 1.163 1.446 ( 0.171 0.000 2.690) 2.696 1.486 ( 0.665 0.000 6.490) 6.524 1.570 ( 3.865 0.000 1.654) 4.204 1.730 ( -2.375 0.000 2.352) 3.342 1.740 ( 1.959 0.000 2.698) 3.334 1.954 ( 2.122 0.000 0.654) 2.221 1.959 ( 7.434 0.000 -0.219) 7.437 2.008 ( -0.169 0.000 -6.668) 6.671 2.042 ( 0.458 0.000 -2.062) 2.112 2.232 ( 0.477 0.000 -4.617) 4.642 2.272 ( 0.029 0.000 -1.779) 1.779 2.295 ( -2.150 0.000 2.565) 3.346 2.353 ( -3.906 0.000 0.924) 4.014 2.580 ( 2.573 0.000 -3.458) 4.310 2.934 ( 0.384 0.000 -5.504) 5.517 3.017 ( 0.163 0.000 -2.386) 2.392 3.751 ( 1.205 0.000 -2.068) 2.393 3.775 ( 0.861 0.000 -1.766) 1.965 3.988 ( -0.008 0.000 3.121) 3.121 4.048 ( -0.705 0.000 1.425) 1.590 4.143 ( 1.272 0.000 -1.969) 2.345 4.166 ( 0.832 0.000 -2.288) 2.434 4.170 ( -1.897 0.000 6.646) 6.911 4.207 ( -1.379 0.000 5.763) 5.925 4.348 ( -0.369 0.000 4.546) 4.561 4.369 ( -0.508 0.000 4.870) 4.897 5.308 ( 0.707 0.000 -0.940) 1.176 5.351 ( 0.665 0.000 -0.221) 0.701 5.697 ( 0.082 0.000 -0.656) 0.662 5.729 ( 0.099 0.000 -0.794) 0.800 6.648 ( 0.367 0.000 -0.460) 0.589 6.685 ( 0.177 0.000 -0.670) 0.693 6.742 ( 0.397 0.000 -2.358) 2.391 6.756 ( 0.653 0.000 -2.385) 2.473 7.704 ( -0.150 0.000 1.037) 1.048 7.725 ( -0.019 0.000 1.106) 1.106 8.019 ( 0.493 0.000 -1.195) 1.293 8.028 ( 0.331 0.000 -1.192) 1.237 16.475 ( -2.279 0.000 7.610) 7.944 16.550 ( -1.317 0.000 -0.363) 1.367 16.587 ( -0.404 0.000 -0.987) 1.066 16.689 ( 3.525 0.000 14.053) 14.489 17.440 ( -1.140 0.000 5.263) 5.385 17.536 ( 1.246 0.000 11.094) 11.163 18.103 ( -0.420 0.000 6.616) 6.629 18.193 ( -0.758 0.000 6.506) 6.550 19.317 ( -0.008 0.000 1.219) 1.219 19.406 ( -0.825 0.000 -1.084) 1.362 19.679 ( 0.680 0.000 -3.714) 3.776 19.738 ( 0.217 0.000 -4.948) 4.952 ======================= Grid point 41 (19/87) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -9.525 0.000 7.471) 12.105 0.406 ( -13.139 0.000 6.952) 14.865 0.724 ( -10.989 0.000 22.263) 24.827 0.863 ( -1.398 0.000 1.356) 1.948 0.979 ( -6.192 0.000 10.417) 12.118 1.057 ( 1.420 0.000 0.381) 1.470 1.161 ( -0.787 0.000 -5.739) 5.792 1.223 ( -5.591 0.000 14.829) 15.849 1.364 ( 5.165 0.000 -0.365) 5.177 1.380 ( 2.263 0.000 6.735) 7.105 1.463 ( 0.102 0.000 1.877) 1.880 1.539 ( 1.244 0.000 9.560) 9.641 1.634 ( 2.603 0.000 0.244) 2.614 1.687 ( -2.733 0.000 -0.176) 2.739 1.789 ( 1.602 0.000 1.845) 2.443 1.985 ( 0.553 0.000 -6.809) 6.831 1.999 ( -0.389 0.000 0.270) 0.473 2.037 ( 2.147 0.000 -1.861) 2.841 2.079 ( 4.968 0.000 -2.424) 5.528 2.214 ( 0.416 0.000 -4.473) 4.493 2.230 ( -4.346 0.000 0.900) 4.438 2.246 ( -1.018 0.000 -0.776) 1.280 2.303 ( -2.376 0.000 2.365) 3.353 2.571 ( -1.970 0.000 -5.586) 5.923 2.938 ( 2.605 0.000 -3.938) 4.722 3.009 ( 0.262 0.000 -2.338) 2.352 3.764 ( 1.043 0.000 -1.709) 2.002 3.780 ( 0.737 0.000 -2.125) 2.249 4.005 ( -0.098 0.000 2.680) 2.682 4.043 ( -0.469 0.000 1.361) 1.439 4.156 ( 1.144 0.000 -2.312) 2.580 4.166 ( 0.385 0.000 -2.184) 2.218 4.167 ( -2.007 0.000 6.672) 6.967 4.203 ( -1.957 0.000 5.645) 5.974 4.360 ( -0.770 0.000 4.277) 4.346 4.386 ( -0.494 0.000 4.790) 4.816 5.314 ( 0.510 0.000 -1.220) 1.322 5.358 ( 0.249 0.000 -0.752) 0.793 5.696 ( 0.112 0.000 -0.562) 0.573 5.728 ( 0.258 0.000 -0.814) 0.854 6.652 ( 0.283 0.000 -0.516) 0.589 6.683 ( -0.006 0.000 -0.662) 0.662 6.739 ( 0.561 0.000 -2.252) 2.321 6.756 ( 0.747 0.000 -2.419) 2.532 7.707 ( -0.166 0.000 1.056) 1.069 7.729 ( -0.188 0.000 0.969) 0.987 8.021 ( 0.434 0.000 -1.234) 1.308 8.028 ( 0.324 0.000 -1.195) 1.238 16.473 ( -2.237 0.000 8.316) 8.612 16.527 ( -0.791 0.000 0.114) 0.799 16.579 ( -0.033 0.000 -0.334) 0.335 16.855 ( 5.174 0.000 7.996) 9.524 17.435 ( -1.782 0.000 4.172) 4.537 17.645 ( 2.889 0.000 9.576) 10.002 18.121 ( -1.208 0.000 5.850) 5.973 18.204 ( -1.354 0.000 5.028) 5.207 19.324 ( -0.106 0.000 1.841) 1.844 19.371 ( -1.889 0.000 -1.165) 2.219 19.672 ( 0.627 0.000 -3.710) 3.763 19.729 ( 1.287 0.000 -3.745) 3.960 ======================= Grid point 42 (20/87) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -1.678 9.050 10.583) 14.026 0.497 ( 3.080 12.194 8.169) 14.997 0.774 ( -0.544 -0.325 13.070) 13.086 0.853 ( -2.683 0.616 7.757) 8.231 0.903 ( -2.859 -2.325 12.309) 12.849 1.053 ( 1.863 -4.490 -0.575) 4.895 1.084 ( 0.031 0.486 4.373) 4.400 1.290 ( -2.874 2.902 13.013) 13.639 1.386 ( 1.148 -3.108 2.018) 3.880 1.437 ( -0.329 -3.423 3.432) 4.858 1.462 ( 0.291 2.614 2.266) 3.472 1.600 ( -2.328 -2.181 4.090) 5.187 1.612 ( -0.171 -3.875 0.155) 3.882 1.682 ( 1.537 -0.932 2.419) 3.014 1.785 ( -1.792 -0.372 -1.232) 2.206 1.894 ( 1.963 -2.439 -0.074) 3.132 1.966 ( -1.992 1.277 -1.218) 2.661 2.055 ( 0.491 -2.175 -1.947) 2.961 2.179 ( 1.024 2.120 -0.699) 2.456 2.204 ( 0.235 0.727 -3.753) 3.830 2.239 ( -0.510 0.161 1.140) 1.259 2.260 ( -0.987 0.012 0.834) 1.292 2.359 ( 4.338 8.788 -7.922) 12.601 2.508 ( 0.105 0.008 -1.551) 1.555 2.950 ( 1.240 -0.731 -4.436) 4.664 2.958 ( -0.952 -1.372 -3.496) 3.874 3.778 ( 0.163 0.491 -1.811) 1.883 3.788 ( 0.537 0.317 -2.237) 2.323 4.008 ( -0.821 0.444 2.073) 2.274 4.038 ( -0.249 -0.742 1.637) 1.814 4.150 ( -0.416 -0.276 0.808) 0.950 4.157 ( 0.038 -0.274 -1.213) 1.244 4.179 ( -0.831 0.824 2.945) 3.169 4.202 ( -1.173 -0.306 5.742) 5.868 4.370 ( -1.457 0.577 4.187) 4.471 4.392 ( -1.304 -0.339 4.696) 4.885 5.320 ( 0.167 0.411 -1.321) 1.393 5.345 ( -0.245 -0.560 -1.371) 1.501 5.701 ( 0.221 0.494 -0.543) 0.767 5.726 ( 0.388 -0.462 -0.645) 0.883 6.656 ( 0.056 0.369 -0.696) 0.790 6.676 ( 0.091 -0.393 -0.685) 0.796 6.744 ( 0.705 0.327 -2.170) 2.305 6.757 ( 0.758 -0.195 -2.301) 2.431 7.711 ( -0.268 0.211 1.092) 1.144 7.723 ( -0.410 -0.283 1.169) 1.271 8.023 ( 0.288 0.153 -1.294) 1.334 8.029 ( 0.329 0.005 -1.323) 1.364 16.491 ( -2.798 1.639 9.573) 10.107 16.534 ( 0.350 0.907 0.537) 1.110 16.576 ( 0.523 -0.743 0.330) 0.967 16.687 ( -9.514 -9.266 12.206) 18.038 17.424 ( -1.989 0.572 3.741) 4.275 17.495 ( -5.636 -4.147 7.410) 10.192 18.161 ( -2.706 2.104 2.353) 4.158 18.196 ( -1.984 0.098 3.621) 4.129 19.329 ( -0.374 0.574 1.401) 1.560 19.364 ( 1.040 -0.910 2.254) 2.644 19.680 ( 1.201 1.092 -3.337) 3.711 19.734 ( 1.780 -1.019 -2.594) 3.307 ======================= Grid point 43 (21/87) ======================= q-point: ( 0.14 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 4.464 4.971 9.405) 11.536 0.675 ( 7.857 7.378 9.646) 14.464 0.853 ( 1.740 -7.217 3.278) 8.115 0.884 ( 0.563 1.138 13.493) 13.553 0.957 ( 2.066 0.999 12.860) 13.063 1.086 ( 1.569 -2.738 0.581) 3.208 1.129 ( 1.200 1.726 7.642) 7.926 1.278 ( -5.219 3.456 9.873) 11.690 1.354 ( -3.300 0.097 2.295) 4.021 1.431 ( -1.749 -1.928 0.814) 2.727 1.461 ( -1.997 1.365 -0.903) 2.582 1.572 ( -1.040 -1.012 0.729) 1.624 1.603 ( -2.790 -7.024 4.865) 8.989 1.670 ( -3.621 -5.350 -0.175) 6.463 1.757 ( -0.067 4.478 1.574) 4.747 1.927 ( -0.941 1.242 1.445) 2.126 1.964 ( 3.187 -1.567 -3.534) 5.010 2.057 ( 1.245 -3.576 -1.920) 4.245 2.165 ( -2.228 1.494 -1.387) 3.020 2.185 ( -2.411 0.209 0.892) 2.579 2.227 ( 1.146 0.750 -2.780) 3.099 2.246 ( 0.213 -0.058 0.182) 0.286 2.399 ( 2.994 7.704 -5.076) 9.699 2.545 ( 2.678 -1.025 0.267) 2.880 2.926 ( 0.422 -0.250 -4.768) 4.793 2.954 ( 1.924 -0.967 -4.788) 5.250 3.767 ( -0.103 0.515 -2.114) 2.179 3.782 ( 0.093 0.022 -1.914) 1.916 4.001 ( -0.976 0.629 2.186) 2.476 4.041 ( -0.382 -0.973 1.706) 2.001 4.142 ( -0.407 -0.019 -0.349) 0.537 4.152 ( -0.104 -0.254 -0.247) 0.369 4.176 ( -0.934 0.888 2.676) 2.970 4.205 ( -1.792 -0.481 5.946) 6.228 4.359 ( -1.921 0.526 4.368) 4.801 4.385 ( -1.910 -0.447 4.817) 5.201 5.314 ( -0.054 0.136 -1.208) 1.217 5.331 ( -0.324 -0.460 -1.547) 1.646 5.704 ( 0.298 0.552 -0.498) 0.801 5.731 ( 0.326 -0.453 -0.557) 0.789 6.652 ( -0.025 0.416 -0.812) 0.913 6.674 ( 0.124 -0.436 -0.802) 0.922 6.747 ( 0.697 0.304 -2.054) 2.190 6.760 ( 0.681 -0.207 -2.169) 2.282 7.710 ( -0.399 0.203 1.090) 1.178 7.721 ( -0.417 -0.223 1.129) 1.224 8.021 ( 0.200 0.173 -1.298) 1.325 8.028 ( 0.278 -0.060 -1.244) 1.276 16.490 ( -2.227 0.709 9.212) 9.504 16.552 ( 0.479 0.647 1.569) 1.763 16.563 ( -7.473 -2.344 11.516) 13.926 16.593 ( 0.871 -0.666 0.474) 1.195 17.409 ( -1.436 0.353 3.389) 3.698 17.439 ( -3.380 -1.063 5.582) 6.612 18.115 ( -3.212 1.859 3.537) 5.127 18.167 ( -2.671 -0.299 3.813) 4.665 19.331 ( -0.221 0.905 1.163) 1.490 19.395 ( 0.709 -1.768 1.565) 2.465 19.689 ( 1.394 1.439 -3.221) 3.793 19.758 ( 1.784 -1.286 -2.221) 3.126 ======================= Grid point 44 (22/87) ======================= q-point: ( 0.29 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 6.864 0.414 5.125) 8.576 0.859 ( 3.725 3.757 14.585) 15.515 0.883 ( -0.107 -7.255 2.826) 7.787 0.956 ( 0.574 -1.492 8.459) 8.609 1.078 ( 1.487 0.541 4.850) 5.102 1.121 ( 1.139 1.240 1.798) 2.463 1.189 ( -2.299 -0.674 11.720) 11.962 1.210 ( -3.172 4.495 6.814) 8.758 1.320 ( -0.934 0.590 1.196) 1.628 1.382 ( -2.042 -4.235 -1.367) 4.896 1.411 ( -1.331 1.742 -1.243) 2.520 1.516 ( -5.341 -4.020 0.218) 6.689 1.565 ( -1.102 0.786 3.218) 3.491 1.640 ( -1.135 -2.006 3.505) 4.195 1.763 ( -0.818 5.371 2.826) 6.124 1.935 ( 1.687 2.596 -0.673) 3.169 1.959 ( -1.431 -2.176 -1.619) 3.067 2.064 ( -1.270 -0.490 -1.730) 2.201 2.094 ( -3.639 0.322 0.816) 3.743 2.148 ( -0.712 -3.208 -1.130) 3.475 2.244 ( 1.855 0.070 -3.493) 3.955 2.267 ( 1.338 -0.677 -0.240) 1.518 2.431 ( 2.022 5.792 -1.109) 6.234 2.579 ( 0.428 -1.681 0.225) 1.749 2.926 ( 2.294 0.438 -5.860) 6.308 2.978 ( 2.928 -1.390 -4.855) 5.837 3.754 ( 0.039 0.545 -2.322) 2.385 3.773 ( 0.029 -0.185 -1.777) 1.787 3.994 ( -1.062 0.707 2.516) 2.821 4.041 ( -0.573 -1.224 1.847) 2.289 4.133 ( -0.106 0.303 -0.817) 0.878 4.150 ( 0.321 -0.356 -1.121) 1.219 4.172 ( -1.280 0.787 4.098) 4.365 4.197 ( -2.047 -0.347 5.592) 5.965 4.343 ( -2.010 0.565 4.526) 4.984 4.371 ( -2.077 -0.492 4.997) 5.434 5.305 ( -0.173 0.139 -1.096) 1.118 5.321 ( 0.073 -0.479 -1.177) 1.272 5.707 ( 0.240 0.551 -0.506) 0.785 5.732 ( 0.116 -0.418 -0.526) 0.681 6.648 ( 0.090 0.469 -0.767) 0.904 6.672 ( 0.209 -0.483 -0.898) 1.041 6.750 ( 0.686 0.238 -2.063) 2.187 6.760 ( 0.535 -0.183 -2.103) 2.177 7.707 ( -0.441 0.201 1.068) 1.172 7.718 ( -0.437 -0.228 1.084) 1.191 8.018 ( 0.220 0.196 -1.264) 1.298 8.027 ( 0.271 -0.121 -1.198) 1.234 16.503 ( -1.428 -0.057 8.819) 8.935 16.509 ( -3.832 -0.291 9.746) 10.476 16.578 ( 0.972 0.780 0.390) 1.306 16.610 ( 0.562 -0.510 0.107) 0.766 17.404 ( -1.029 0.152 3.965) 4.099 17.418 ( -1.608 -0.414 4.995) 5.264 18.080 ( -2.437 1.561 4.695) 5.516 18.142 ( -2.124 -0.847 5.104) 5.592 19.330 ( -0.362 1.244 0.801) 1.523 19.407 ( -0.103 -1.821 1.179) 2.172 19.698 ( 1.265 1.612 -3.482) 4.040 19.776 ( 1.228 -1.449 -2.770) 3.359 ======================= Grid point 45 (23/87) ======================= q-point: ( 0.43 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.890 -1.274 -0.960) 4.205 0.873 ( -0.706 -5.385 2.047) 5.804 0.952 ( -4.776 1.322 16.062) 16.809 0.985 ( -1.966 0.961 4.945) 5.407 1.070 ( -2.563 -0.624 1.938) 3.273 1.091 ( -2.480 0.237 6.355) 6.826 1.156 ( -4.499 -3.944 10.899) 12.433 1.238 ( -0.093 0.198 1.428) 1.445 1.340 ( 1.621 1.993 0.024) 2.569 1.366 ( -0.259 -1.107 -1.983) 2.285 1.400 ( 0.867 1.024 1.129) 1.754 1.457 ( -0.515 -2.391 1.608) 2.927 1.568 ( -1.142 2.518 4.206) 5.033 1.626 ( -2.523 0.753 4.167) 4.929 1.779 ( 2.201 6.085 1.526) 6.648 1.895 ( -4.724 0.363 0.589) 4.774 1.954 ( -0.295 2.146 -1.674) 2.738 2.022 ( -0.488 0.294 0.131) 0.585 2.084 ( 2.477 -2.984 -0.157) 3.881 2.115 ( -1.850 -3.324 -2.635) 4.628 2.259 ( 1.153 -0.365 -2.636) 2.901 2.287 ( 0.817 -0.697 -0.021) 1.074 2.459 ( 0.789 3.682 -0.078) 3.766 2.571 ( -0.814 -1.257 -0.505) 1.580 2.945 ( 2.653 0.660 -6.241) 6.813 3.006 ( 2.182 -1.591 -4.292) 5.071 3.746 ( 0.429 0.535 -2.303) 2.403 3.766 ( 0.263 -0.243 -1.735) 1.771 3.987 ( -0.983 0.803 2.772) 3.049 4.039 ( -0.611 -1.351 2.007) 2.496 4.130 ( 0.350 0.500 -1.090) 1.249 4.151 ( 0.548 -0.368 -1.954) 2.062 4.173 ( -1.238 0.429 5.547) 5.700 4.189 ( -1.588 -0.280 5.207) 5.451 4.333 ( -1.472 0.621 4.712) 4.976 4.360 ( -1.737 -0.420 5.056) 5.363 5.299 ( 0.210 0.290 -0.884) 0.954 5.321 ( 0.457 -0.554 -0.640) 0.962 5.707 ( 0.112 0.513 -0.568) 0.774 5.730 ( 0.042 -0.379 -0.576) 0.691 6.647 ( 0.221 0.492 -0.664) 0.856 6.673 ( 0.353 -0.518 -0.846) 1.053 6.751 ( 0.602 0.162 -2.190) 2.277 6.758 ( 0.419 -0.117 -2.137) 2.181 7.705 ( -0.363 0.201 1.048) 1.127 7.716 ( -0.345 -0.240 1.083) 1.162 8.017 ( 0.317 0.208 -1.222) 1.279 8.026 ( 0.306 -0.142 -1.179) 1.226 16.497 ( -2.450 0.457 7.988) 8.368 16.526 ( -0.994 -0.726 8.981) 9.065 16.590 ( 0.132 0.575 -0.067) 0.594 16.613 ( -0.153 -0.339 -0.571) 0.682 17.411 ( -0.706 0.227 5.238) 5.290 17.428 ( -0.343 -0.443 5.751) 5.778 18.072 ( -1.270 1.508 5.965) 6.283 18.140 ( -1.242 -1.138 6.435) 6.652 19.327 ( -0.308 1.394 0.624) 1.558 19.407 ( -0.389 -1.756 0.802) 1.969 19.701 ( 0.986 1.501 -3.877) 4.273 19.774 ( 0.433 -1.392 -3.832) 4.100 ======================= Grid point 46 (24/87) ======================= q-point: (-0.43 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -6.824 -0.349 -1.779) 7.061 0.857 ( -10.090 4.469 8.681) 14.041 0.922 ( -3.249 -2.856 1.984) 4.759 0.933 ( 2.485 -3.844 1.146) 4.719 1.040 ( -2.352 -3.231 2.698) 4.821 1.112 ( -5.374 -5.223 9.662) 12.228 1.142 ( 0.181 2.132 8.985) 9.236 1.235 ( -1.601 -0.805 3.902) 4.294 1.314 ( -1.773 4.092 0.327) 4.471 1.393 ( 1.150 1.338 0.770) 1.925 1.435 ( -1.852 -0.205 1.804) 2.593 1.469 ( 2.886 -0.040 3.226) 4.329 1.540 ( -2.417 4.756 2.115) 5.739 1.624 ( 0.604 -3.165 4.491) 5.527 1.802 ( -3.259 1.932 1.216) 3.979 1.872 ( 3.708 1.803 0.579) 4.164 1.928 ( 0.092 1.844 -1.585) 2.434 2.027 ( 0.461 -0.271 -0.441) 0.693 2.072 ( -0.184 0.169 -3.169) 3.179 2.162 ( 4.319 -3.985 0.307) 5.885 2.254 ( -0.118 -0.600 -2.904) 2.967 2.298 ( 0.171 -0.863 0.083) 0.883 2.450 ( -1.652 2.980 -0.341) 3.424 2.553 ( -0.171 -1.119 -1.548) 1.918 2.956 ( 1.654 0.724 -6.007) 6.272 3.013 ( 0.726 -1.333 -3.530) 3.842 3.747 ( 0.935 0.534 -2.141) 2.397 3.766 ( 0.709 -0.214 -1.704) 1.858 3.986 ( -0.578 0.861 2.863) 3.044 4.038 ( -0.545 -1.264 1.968) 2.402 4.135 ( 0.774 0.412 -1.517) 1.752 4.152 ( 0.321 -0.496 -0.556) 0.811 4.177 ( -1.157 0.375 4.591) 4.749 4.193 ( -0.990 -0.424 5.505) 5.609 4.338 ( -0.623 0.602 4.775) 4.853 4.358 ( -1.072 -0.185 4.942) 5.060 5.304 ( 0.619 0.437 -0.719) 1.044 5.331 ( 0.739 -0.612 -0.270) 0.996 5.706 ( 0.051 0.512 -0.669) 0.844 5.728 ( 0.072 -0.363 -0.686) 0.779 6.649 ( 0.299 0.513 -0.564) 0.819 6.677 ( 0.380 -0.560 -0.717) 0.986 6.749 ( 0.421 0.146 -2.322) 2.364 6.755 ( 0.505 -0.092 -2.241) 2.300 7.705 ( -0.231 0.205 1.042) 1.087 7.717 ( -0.177 -0.275 1.101) 1.149 8.018 ( 0.430 0.202 -1.195) 1.286 8.026 ( 0.359 -0.116 -1.182) 1.241 16.493 ( -2.215 1.048 7.581) 7.967 16.562 ( -0.260 -1.762 9.150) 9.322 16.582 ( -0.939 0.406 0.289) 1.063 16.602 ( -0.539 -0.261 -0.244) 0.647 17.430 ( -0.549 0.435 5.969) 6.010 17.462 ( 0.058 -0.836 7.491) 7.538 18.091 ( -0.300 1.550 6.731) 6.914 18.159 ( -0.582 -1.106 7.011) 7.121 19.326 ( -0.192 1.306 0.701) 1.495 19.401 ( -0.515 -1.673 0.256) 1.769 19.696 ( 0.735 1.146 -4.054) 4.276 19.754 ( -0.051 -1.115 -4.717) 4.847 ======================= Grid point 47 (25/87) ======================= q-point: (-0.29 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -8.782 3.679 1.805) 9.691 0.696 ( -9.927 5.851 6.348) 13.156 0.865 ( -4.189 -3.649 1.514) 5.758 0.940 ( -3.591 -1.010 4.434) 5.794 1.013 ( -0.797 -4.922 0.621) 5.025 1.070 ( -9.232 0.785 9.662) 13.386 1.074 ( -2.459 -1.144 2.830) 3.920 1.275 ( -1.591 1.486 12.038) 12.233 1.300 ( 1.516 2.700 1.969) 3.669 1.383 ( -2.125 0.960 1.431) 2.736 1.426 ( -0.108 -0.624 2.329) 2.413 1.530 ( 0.826 3.360 4.652) 5.798 1.554 ( 2.396 -1.848 1.532) 3.391 1.680 ( 2.162 -4.159 3.874) 6.081 1.766 ( -0.669 2.454 0.329) 2.565 1.879 ( -0.308 -3.586 -2.395) 4.323 1.997 ( 4.694 2.365 -0.903) 5.333 2.029 ( 0.143 -0.653 -1.528) 1.668 2.085 ( 3.144 3.820 -2.775) 5.672 2.211 ( -0.243 -0.742 -0.484) 0.918 2.242 ( 0.872 -2.223 -1.793) 2.986 2.291 ( -0.868 -1.285 -0.097) 1.554 2.398 ( -2.709 3.897 -1.441) 4.960 2.553 ( 1.261 -2.560 -3.333) 4.388 2.946 ( 0.522 1.088 -4.883) 5.030 3.004 ( 0.155 -1.183 -2.873) 3.110 3.759 ( 1.346 0.633 -1.938) 2.443 3.774 ( 0.958 -0.072 -1.720) 1.971 3.995 ( -0.137 0.690 2.828) 2.914 4.037 ( -0.536 -0.965 1.651) 1.986 4.143 ( 0.722 0.042 -1.189) 1.392 4.157 ( 0.333 -0.573 -0.229) 0.702 4.178 ( -1.181 0.540 4.428) 4.614 4.201 ( -1.233 -0.493 5.317) 5.481 4.355 ( -0.312 0.563 4.554) 4.599 4.370 ( -0.446 0.020 4.745) 4.766 5.314 ( 0.717 0.547 -0.805) 1.209 5.344 ( 0.690 -0.635 -0.311) 0.988 5.703 ( 0.071 0.507 -0.697) 0.864 5.726 ( 0.109 -0.358 -0.823) 0.904 6.653 ( 0.342 0.484 -0.503) 0.777 6.679 ( 0.205 -0.546 -0.653) 0.875 6.745 ( 0.439 0.216 -2.337) 2.387 6.754 ( 0.621 -0.143 -2.356) 2.440 7.707 ( -0.150 0.215 1.051) 1.084 7.720 ( -0.087 -0.348 1.110) 1.166 8.021 ( 0.481 0.183 -1.202) 1.307 8.027 ( 0.396 -0.050 -1.215) 1.279 16.492 ( -2.154 1.680 8.180) 8.624 16.557 ( -1.244 0.644 -0.206) 1.416 16.580 ( -0.435 -0.764 -0.573) 1.049 16.637 ( 0.831 -4.135 12.928) 13.598 17.445 ( -1.199 0.626 5.695) 5.854 17.506 ( -0.308 -2.210 9.395) 9.656 18.127 ( 0.296 1.859 6.467) 6.735 18.186 ( -0.444 -0.739 6.383) 6.441 19.327 ( -0.209 0.963 1.067) 1.452 19.387 ( -0.965 -1.547 -0.415) 1.870 19.688 ( 0.603 0.789 -3.895) 4.020 19.729 ( 0.279 -0.809 -4.760) 4.836 ======================= Grid point 48 (26/87) ======================= q-point: (-0.14 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -6.152 8.665 7.668) 13.104 0.539 ( -8.494 9.470 4.712) 13.566 0.778 ( -5.670 -0.095 8.115) 9.900 0.885 ( -3.793 0.365 5.273) 6.506 0.942 ( -8.536 1.191 14.978) 17.281 1.021 ( 1.470 -4.483 -0.790) 4.783 1.073 ( 0.116 -2.725 0.136) 2.731 1.283 ( -3.169 3.047 11.862) 12.651 1.329 ( 0.653 -3.746 2.735) 4.684 1.403 ( 1.205 -0.572 6.409) 6.546 1.444 ( 0.593 0.499 2.089) 2.228 1.578 ( 1.216 2.752 5.538) 6.302 1.594 ( 0.895 -3.155 1.217) 3.498 1.696 ( -2.202 0.089 1.153) 2.487 1.787 ( 1.757 -0.053 0.348) 1.792 1.871 ( 1.122 -4.260 -2.368) 5.001 2.010 ( -1.001 -0.163 -2.443) 2.645 2.056 ( 1.629 -1.169 -2.710) 3.371 2.145 ( 2.748 3.778 0.134) 4.674 2.202 ( 1.438 1.622 -2.783) 3.528 2.236 ( -0.639 -0.834 -0.334) 1.103 2.272 ( -0.978 -0.923 0.573) 1.461 2.350 ( -0.327 5.966 -3.828) 7.096 2.543 ( -0.365 -2.595 -5.224) 5.845 2.942 ( 1.516 0.512 -3.755) 4.081 2.988 ( -0.360 -1.511 -2.644) 3.067 3.776 ( 1.103 0.670 -1.732) 2.160 3.783 ( 0.941 0.190 -2.044) 2.258 4.007 ( -0.249 0.325 2.526) 2.559 4.036 ( -0.435 -0.653 1.464) 1.661 4.149 ( 0.210 -0.251 0.013) 0.327 4.160 ( 0.231 -0.515 -0.941) 1.098 4.178 ( -1.068 0.736 4.119) 4.318 4.200 ( -1.582 -0.279 5.121) 5.367 4.369 ( -0.684 0.631 4.187) 4.289 4.386 ( -0.631 -0.117 4.637) 4.681 5.320 ( 0.460 0.572 -1.146) 1.361 5.351 ( 0.267 -0.625 -0.805) 1.054 5.701 ( 0.118 0.472 -0.618) 0.787 5.724 ( 0.204 -0.402 -0.829) 0.943 6.656 ( 0.252 0.403 -0.547) 0.725 6.678 ( 0.058 -0.443 -0.643) 0.783 6.743 ( 0.620 0.291 -2.267) 2.369 6.755 ( 0.729 -0.180 -2.378) 2.494 7.709 ( -0.169 0.220 1.074) 1.109 7.724 ( -0.233 -0.401 1.101) 1.195 8.023 ( 0.425 0.158 -1.242) 1.322 8.029 ( 0.398 0.012 -1.294) 1.353 16.493 ( -2.456 2.048 9.122) 9.666 16.536 ( -0.747 0.823 0.218) 1.133 16.571 ( -0.088 -0.720 -0.256) 0.769 16.722 ( -0.760 -9.512 13.166) 16.261 17.442 ( -1.948 0.683 4.711) 5.144 17.537 ( -2.409 -5.517 9.695) 11.412 18.167 ( 0.419 2.218 4.391) 4.937 18.202 ( -1.088 -0.216 4.902) 5.026 19.329 ( -0.259 0.495 1.636) 1.728 19.360 ( -1.394 -0.825 0.083) 1.621 19.680 ( 0.734 0.785 -3.680) 3.834 19.721 ( 1.206 -0.788 -3.703) 3.973 ======================= Grid point 49 (27/87) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -1.026 -9.951 6.874) 12.138 0.627 ( -1.026 9.951 6.874) 12.138 0.736 ( 0.323 -10.459 6.917) 12.544 0.736 ( 0.323 10.459 6.917) 12.544 0.982 ( -0.447 -3.848 1.418) 4.125 0.982 ( -0.447 3.848 1.418) 4.125 1.189 ( -1.029 -10.021 13.646) 16.961 1.189 ( -1.029 10.021 13.646) 16.961 1.374 ( 0.008 -2.777 7.637) 8.126 1.374 ( 0.008 2.777 7.637) 8.126 1.524 ( -0.441 -3.449 0.467) 3.509 1.524 ( -0.441 3.449 0.467) 3.509 1.640 ( -3.339 -3.040 1.249) 4.685 1.640 ( -3.339 3.040 1.249) 4.685 1.824 ( 1.807 -3.668 -0.327) 4.102 1.824 ( 1.807 3.668 -0.327) 4.102 2.008 ( -0.507 -2.449 -2.229) 3.350 2.008 ( -0.507 2.449 -2.229) 3.350 2.207 ( 0.148 -0.550 -1.234) 1.359 2.207 ( 0.148 0.550 -1.234) 1.359 2.250 ( -0.252 -0.756 0.802) 1.131 2.250 ( -0.252 0.756 0.802) 1.131 2.480 ( 2.745 -3.292 -5.944) 7.328 2.480 ( 2.745 3.292 -5.944) 7.328 2.942 ( 0.162 -0.290 -3.834) 3.848 2.942 ( 0.162 0.290 -3.834) 3.848 3.787 ( 0.252 -0.351 -1.781) 1.833 3.787 ( 0.252 0.351 -1.781) 1.833 4.021 ( -0.498 -0.803 1.741) 1.981 4.021 ( -0.498 0.803 1.741) 1.981 4.150 ( -0.112 -0.273 -0.119) 0.318 4.150 ( -0.112 0.273 -0.119) 0.318 4.193 ( -1.063 -0.564 4.285) 4.451 4.193 ( -1.063 0.564 4.285) 4.451 4.382 ( -1.454 -0.569 4.466) 4.731 4.382 ( -1.454 0.569 4.466) 4.731 5.332 ( -0.084 -0.716 -1.370) 1.548 5.332 ( -0.084 0.716 -1.370) 1.548 5.714 ( 0.314 -0.676 -0.601) 0.957 5.714 ( 0.314 0.676 -0.601) 0.957 6.666 ( 0.073 -0.544 -0.692) 0.884 6.666 ( 0.073 0.544 -0.692) 0.884 6.751 ( 0.725 -0.350 -2.210) 2.352 6.751 ( 0.725 0.350 -2.210) 2.352 7.716 ( -0.307 -0.325 1.126) 1.212 7.716 ( -0.307 0.325 1.126) 1.212 8.027 ( 0.305 -0.161 -1.315) 1.360 8.027 ( 0.305 0.161 -1.315) 1.360 16.547 ( -3.889 -3.451 9.924) 11.203 16.547 ( -3.889 3.451 9.924) 11.203 16.558 ( -0.654 -1.084 2.495) 2.798 16.558 ( -0.654 1.084 2.495) 2.798 17.444 ( -2.798 -1.484 5.129) 6.028 17.444 ( -2.798 1.484 5.129) 6.028 18.189 ( -2.249 -0.830 3.062) 3.889 18.189 ( -2.249 0.830 3.062) 3.889 19.345 ( 0.090 -0.941 1.751) 1.990 19.345 ( 0.090 0.941 1.751) 1.990 19.708 ( 1.499 -1.484 -2.893) 3.580 19.708 ( 1.499 1.484 -2.893) 3.580 ======================= Grid point 51 (28/87) ======================= q-point: ( 0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.359 -9.533 6.018) 11.355 0.668 ( 1.359 9.533 6.018) 11.355 0.820 ( 2.580 -6.180 10.774) 12.686 0.820 ( 2.580 6.180 10.774) 12.686 1.020 ( 3.347 -3.250 1.696) 4.963 1.020 ( 3.347 3.250 1.696) 4.963 1.242 ( -1.485 -7.233 13.621) 15.494 1.242 ( -1.485 7.233 13.621) 15.494 1.377 ( -2.900 -1.758 1.841) 3.858 1.377 ( -2.900 1.758 1.841) 3.858 1.508 ( -2.284 -1.941 1.595) 3.395 1.508 ( -2.284 1.941 1.595) 3.395 1.575 ( -2.237 -2.407 0.897) 3.407 1.575 ( -2.237 2.407 0.897) 3.407 1.866 ( 1.581 -5.437 1.012) 5.752 1.866 ( 1.581 5.437 1.012) 5.752 1.993 ( 0.760 -2.862 -2.628) 3.960 1.993 ( 0.760 2.862 -2.628) 3.960 2.186 ( -2.460 -0.469 -0.819) 2.635 2.186 ( -2.460 0.469 -0.819) 2.635 2.242 ( 0.248 -0.501 -0.705) 0.900 2.242 ( 0.248 0.501 -0.705) 0.900 2.507 ( 2.168 -3.132 -3.021) 4.862 2.507 ( 2.168 3.132 -3.021) 4.862 2.933 ( 1.325 -0.892 -4.667) 4.933 2.933 ( 1.325 0.892 -4.667) 4.933 3.777 ( -0.094 -0.439 -1.894) 1.946 3.777 ( -0.094 0.439 -1.894) 1.946 4.019 ( -0.693 -1.057 1.805) 2.204 4.019 ( -0.693 1.057 1.805) 2.204 4.146 ( -0.181 -0.329 -0.337) 0.505 4.146 ( -0.181 0.329 -0.337) 0.505 4.193 ( -1.351 -0.715 4.371) 4.631 4.193 ( -1.351 0.715 4.371) 4.631 4.373 ( -1.939 -0.715 4.609) 5.052 4.373 ( -1.939 0.715 4.609) 5.052 5.320 ( -0.227 -0.473 -1.392) 1.488 5.320 ( -0.227 0.473 -1.392) 1.488 5.718 ( 0.341 -0.736 -0.549) 0.979 5.718 ( 0.341 0.736 -0.549) 0.979 6.663 ( 0.052 -0.606 -0.805) 1.009 6.663 ( 0.052 0.606 -0.805) 1.009 6.754 ( 0.672 -0.347 -2.097) 2.229 6.754 ( 0.672 0.347 -2.097) 2.229 7.715 ( -0.407 -0.301 1.106) 1.216 7.715 ( -0.407 0.301 1.106) 1.216 8.025 ( 0.234 -0.190 -1.291) 1.326 8.025 ( 0.234 0.190 -1.291) 1.326 16.515 ( -4.152 -1.787 10.622) 11.544 16.515 ( -4.152 1.787 10.622) 11.544 16.575 ( 0.968 -1.081 0.661) 1.595 16.575 ( 0.968 1.081 0.661) 1.595 17.420 ( -2.076 -0.753 4.260) 4.798 17.420 ( -2.076 0.753 4.260) 4.798 18.150 ( -3.100 -1.403 3.419) 4.823 18.150 ( -3.100 1.403 3.419) 4.823 19.358 ( 0.212 -1.704 1.496) 2.277 19.358 ( 0.212 1.704 1.496) 2.277 19.724 ( 1.584 -1.874 -2.639) 3.604 19.724 ( 1.584 1.874 -2.639) 3.604 ======================= Grid point 53 (29/87) ======================= q-point: ( 0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 2.490 -6.101 4.242) 7.837 0.735 ( 2.490 6.101 4.242) 7.837 0.928 ( 1.396 -2.428 14.338) 14.609 0.928 ( 1.396 2.428 14.338) 14.609 1.086 ( 0.568 -2.295 2.051) 3.130 1.086 ( 0.568 2.295 2.051) 3.130 1.238 ( -4.412 -3.006 4.230) 6.811 1.238 ( -4.412 3.006 4.230) 6.811 1.341 ( -0.120 -0.848 3.051) 3.168 1.341 ( -0.120 0.848 3.051) 3.168 1.445 ( -3.105 -2.121 -0.115) 3.762 1.445 ( -3.105 2.121 -0.115) 3.762 1.585 ( 0.863 -2.029 4.018) 4.583 1.585 ( 0.863 2.029 4.018) 4.583 1.878 ( -0.428 -5.117 0.688) 5.181 1.878 ( -0.428 5.117 0.688) 5.181 2.012 ( 1.866 -3.867 -2.430) 4.933 2.012 ( 1.866 3.867 -2.430) 4.933 2.112 ( -4.309 -1.188 0.137) 4.472 2.112 ( -4.309 1.188 0.137) 4.472 2.252 ( 1.229 -0.635 -1.879) 2.333 2.252 ( 1.229 0.635 -1.879) 2.333 2.527 ( 0.775 -3.537 -0.596) 3.670 2.527 ( 0.775 3.537 -0.596) 3.670 2.946 ( 2.574 -1.470 -5.257) 6.035 2.946 ( 2.574 1.470 -5.257) 6.035 3.766 ( -0.011 -0.526 -1.994) 2.062 3.766 ( -0.011 0.526 -1.994) 2.062 4.014 ( -0.813 -1.253 2.043) 2.531 4.014 ( -0.813 1.253 2.043) 2.531 4.141 ( 0.026 -0.486 -0.527) 0.718 4.141 ( 0.026 0.486 -0.527) 0.718 4.187 ( -1.565 -0.633 4.434) 4.744 4.187 ( -1.565 0.633 4.434) 4.744 4.358 ( -2.032 -0.764 4.789) 5.258 4.358 ( -2.032 0.764 4.789) 5.258 5.311 ( -0.042 -0.429 -1.126) 1.205 5.311 ( -0.042 0.429 -1.126) 1.205 5.720 ( 0.189 -0.692 -0.545) 0.901 5.720 ( 0.189 0.692 -0.545) 0.901 6.660 ( 0.150 -0.670 -0.839) 1.085 6.660 ( 0.150 0.670 -0.839) 1.085 6.755 ( 0.599 -0.293 -2.068) 2.173 6.755 ( 0.599 0.293 -2.068) 2.173 7.713 ( -0.442 -0.303 1.077) 1.203 7.713 ( -0.442 0.303 1.077) 1.203 8.023 ( 0.242 -0.231 -1.245) 1.289 8.023 ( 0.242 0.231 -1.245) 1.289 16.504 ( -2.447 -0.171 9.117) 9.442 16.504 ( -2.447 0.171 9.117) 9.442 16.596 ( 0.737 -0.873 0.328) 1.189 16.596 ( 0.737 0.873 0.328) 1.189 17.410 ( -1.268 -0.387 4.429) 4.623 17.410 ( -1.268 0.387 4.429) 4.623 18.115 ( -2.420 -1.705 4.772) 5.616 18.115 ( -2.420 1.705 4.772) 5.616 19.365 ( -0.151 -2.089 1.024) 2.331 19.365 ( -0.151 2.089 1.024) 2.331 19.738 ( 1.223 -2.109 -3.067) 3.918 19.738 ( 1.223 2.109 -3.067) 3.918 ======================= Grid point 55 (30/87) ======================= q-point: ( 0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.307 -1.453 1.953) 2.763 0.796 ( 1.307 1.453 1.953) 2.763 1.001 ( -2.037 -3.139 9.100) 9.839 1.001 ( -2.037 3.139 9.100) 9.839 1.055 ( -5.543 -4.523 11.661) 13.681 1.055 ( -5.543 4.523 11.661) 13.681 1.166 ( -1.876 -4.531 -1.862) 5.246 1.166 ( -1.876 4.531 -1.862) 5.246 1.385 ( 2.114 -1.073 2.045) 3.130 1.385 ( 2.114 1.073 2.045) 3.130 1.408 ( -0.596 -1.670 0.235) 1.788 1.408 ( -0.596 1.670 0.235) 1.788 1.619 ( -0.457 -1.858 4.086) 4.512 1.619 ( -0.457 1.858 4.086) 4.512 1.874 ( -0.151 -2.879 -0.619) 2.949 1.874 ( -0.151 2.879 -0.619) 2.949 2.010 ( -1.650 -3.053 -0.257) 3.480 2.010 ( -1.650 3.053 -0.257) 3.480 2.053 ( -0.093 -2.330 -0.520) 2.390 2.053 ( -0.093 2.330 -0.520) 2.390 2.266 ( 1.094 -0.971 -1.910) 2.406 2.266 ( 1.094 0.971 -1.910) 2.406 2.529 ( -0.317 -2.881 -0.205) 2.906 2.529 ( -0.317 2.881 -0.205) 2.906 2.970 ( 2.438 -1.729 -5.151) 5.955 2.970 ( 2.438 1.729 -5.151) 5.955 3.758 ( 0.326 -0.553 -1.988) 2.089 3.758 ( 0.326 0.553 -1.988) 2.089 4.010 ( -0.749 -1.373 2.297) 2.778 4.010 ( -0.749 1.373 2.297) 2.778 4.141 ( 0.290 -0.547 -0.844) 1.047 4.141 ( 0.290 0.547 -0.844) 1.047 4.182 ( -1.349 -0.403 4.688) 4.895 4.182 ( -1.349 0.403 4.688) 4.895 4.347 ( -1.557 -0.740 4.937) 5.229 4.347 ( -1.557 0.740 4.937) 5.229 5.309 ( 0.355 -0.589 -0.739) 1.009 5.309 ( 0.355 0.589 -0.739) 1.009 5.720 ( 0.085 -0.625 -0.591) 0.864 5.720 ( 0.085 0.625 -0.591) 0.864 6.660 ( 0.284 -0.709 -0.765) 1.082 6.660 ( 0.284 0.709 -0.765) 1.082 6.755 ( 0.508 -0.194 -2.149) 2.217 6.755 ( 0.508 0.194 -2.149) 2.217 7.710 ( -0.360 -0.311 1.065) 1.166 7.710 ( -0.360 0.311 1.065) 1.166 8.022 ( 0.315 -0.250 -1.206) 1.272 8.022 ( 0.315 0.250 -1.206) 1.272 16.510 ( -1.737 -0.783 8.326) 8.541 16.510 ( -1.737 0.783 8.326) 8.541 16.603 ( -0.053 -0.615 -0.212) 0.652 16.603 ( -0.053 0.615 -0.212) 0.652 17.418 ( -0.529 -0.481 5.486) 5.533 17.418 ( -0.529 0.481 5.486) 5.533 18.108 ( -1.286 -1.868 6.149) 6.554 18.108 ( -1.286 1.868 6.149) 6.554 19.365 ( -0.311 -2.185 0.708) 2.318 19.365 ( -0.311 2.185 0.708) 2.318 19.738 ( 0.681 -2.012 -3.830) 4.380 19.738 ( 0.681 2.012 -3.830) 4.380 ======================= Grid point 57 (31/87) ======================= q-point: (-0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -3.047 -5.165 0.682) 6.036 0.783 ( -3.047 5.165 0.682) 6.036 0.956 ( -6.417 -4.078 5.318) 9.278 0.956 ( -6.417 4.078 5.318) 9.278 0.994 ( -3.582 -4.696 6.609) 8.864 0.994 ( -3.582 4.696 6.609) 8.864 1.195 ( 2.019 -2.600 5.566) 6.466 1.195 ( 2.019 2.600 5.566) 6.466 1.390 ( -1.330 -2.144 1.177) 2.784 1.390 ( -1.330 2.144 1.177) 2.784 1.448 ( 1.811 -1.636 2.704) 3.642 1.448 ( 1.811 1.636 2.704) 3.642 1.596 ( -3.104 -0.786 3.350) 4.634 1.596 ( -3.104 0.786 3.350) 4.634 1.845 ( -1.594 -2.297 -1.350) 3.105 1.845 ( -1.594 2.297 -1.350) 3.105 2.005 ( 0.988 -2.940 -0.310) 3.117 2.005 ( 0.988 2.940 -0.310) 3.117 2.087 ( 3.342 -2.246 -0.175) 4.030 2.087 ( 3.342 2.246 -0.175) 4.030 2.268 ( 0.077 -1.677 -2.057) 2.655 2.268 ( 0.077 1.677 -2.057) 2.655 2.512 ( -1.025 -2.791 -0.977) 3.130 2.512 ( -1.025 2.791 -0.977) 3.130 2.981 ( 1.311 -1.615 -4.591) 5.040 2.981 ( 1.311 1.615 -4.591) 5.040 3.759 ( 0.846 -0.517 -1.874) 2.120 3.759 ( 0.846 0.517 -1.874) 2.120 4.010 ( -0.500 -1.384 2.370) 2.789 4.010 ( -0.500 1.384 2.370) 2.789 4.143 ( 0.373 -0.414 -0.811) 0.984 4.143 ( 0.373 0.414 -0.811) 0.984 4.184 ( -1.028 -0.380 4.798) 4.922 4.184 ( -1.028 0.380 4.798) 4.922 4.351 ( -0.786 -0.575 4.883) 4.980 4.351 ( -0.786 0.575 4.883) 4.980 5.316 ( 0.701 -0.744 -0.465) 1.123 5.316 ( 0.701 0.744 -0.465) 1.123 5.718 ( 0.072 -0.617 -0.695) 0.932 5.718 ( 0.072 0.617 -0.695) 0.932 6.663 ( 0.336 -0.750 -0.653) 1.050 6.663 ( 0.336 0.750 -0.653) 1.050 6.753 ( 0.463 -0.173 -2.265) 2.318 6.753 ( 0.463 0.173 -2.265) 2.318 7.710 ( -0.217 -0.336 1.069) 1.141 7.710 ( -0.217 0.336 1.069) 1.141 8.023 ( 0.406 -0.233 -1.192) 1.281 8.023 ( 0.406 0.233 -1.192) 1.281 16.523 ( -1.477 -1.858 8.509) 8.834 16.523 ( -1.477 1.858 8.509) 8.834 16.593 ( -0.783 -0.562 -0.237) 0.992 16.593 ( -0.783 0.562 -0.237) 0.992 17.444 ( -0.357 -0.864 6.617) 6.683 17.444 ( -0.357 0.864 6.617) 6.683 18.128 ( -0.330 -1.845 6.822) 7.075 18.128 ( -0.330 1.845 6.822) 7.075 19.361 ( -0.404 -2.061 0.518) 2.163 19.361 ( -0.404 2.061 0.518) 2.163 19.725 ( 0.320 -1.589 -4.386) 4.676 19.725 ( 0.320 1.589 -4.386) 4.676 ======================= Grid point 59 (32/87) ======================= q-point: (-0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.473 -8.881 2.704) 10.305 0.714 ( -4.473 8.881 2.704) 10.305 0.840 ( -7.420 -8.086 6.096) 12.554 0.840 ( -7.420 8.086 6.096) 12.554 0.985 ( 0.229 -3.010 -0.427) 3.049 0.985 ( 0.229 3.010 -0.427) 3.049 1.231 ( -4.101 -6.249 9.927) 12.426 1.231 ( -4.101 6.249 9.927) 12.426 1.350 ( -3.129 -2.561 4.569) 6.101 1.350 ( -3.129 2.561 4.569) 6.101 1.482 ( 1.040 -4.700 1.172) 4.954 1.482 ( 1.040 4.700 1.172) 4.954 1.598 ( 1.584 -3.540 3.929) 5.521 1.598 ( 1.584 3.540 3.929) 5.521 1.822 ( -0.140 -2.692 -1.613) 3.141 1.822 ( -0.140 2.692 -1.613) 3.141 2.021 ( 1.016 -0.284 -1.697) 1.999 2.021 ( 1.016 0.284 -1.697) 1.999 2.161 ( 3.364 -3.750 0.581) 5.071 2.161 ( 3.364 3.750 0.581) 5.071 2.250 ( -0.496 -2.227 -2.063) 3.076 2.250 ( -0.496 2.227 -2.063) 3.076 2.484 ( -0.633 -4.105 -2.888) 5.059 2.484 ( -0.633 4.105 -2.888) 5.059 2.974 ( 0.403 -1.591 -3.835) 4.171 2.974 ( 0.403 1.591 -3.835) 4.171 3.770 ( 1.214 -0.371 -1.732) 2.147 3.770 ( 1.214 0.371 -1.732) 2.147 4.015 ( -0.308 -1.160 2.196) 2.503 4.015 ( -0.308 1.160 2.196) 2.503 4.147 ( 0.310 -0.387 -0.382) 0.626 4.147 ( 0.310 0.387 -0.382) 0.626 4.190 ( -1.046 -0.604 4.607) 4.763 4.190 ( -1.046 0.604 4.607) 4.763 4.366 ( -0.356 -0.428 4.619) 4.652 4.366 ( -0.356 0.428 4.619) 4.652 5.328 ( 0.723 -0.843 -0.539) 1.234 5.328 ( 0.723 0.843 -0.539) 1.234 5.715 ( 0.082 -0.630 -0.785) 1.010 5.715 ( 0.082 0.630 -0.785) 1.010 6.665 ( 0.277 -0.715 -0.590) 0.967 6.665 ( 0.277 0.715 -0.590) 0.967 6.750 ( 0.531 -0.266 -2.323) 2.398 6.750 ( 0.531 0.266 -2.323) 2.398 7.713 ( -0.140 -0.374 1.084) 1.155 7.713 ( -0.140 0.374 1.084) 1.155 8.025 ( 0.453 -0.195 -1.216) 1.313 8.025 ( 0.453 0.195 -1.216) 1.313 16.542 ( -1.254 -3.050 8.043) 8.693 16.542 ( -1.254 3.050 8.043) 8.693 16.576 ( -1.195 -1.354 1.985) 2.683 16.576 ( -1.195 1.354 1.985) 2.683 17.467 ( -1.182 -1.505 7.035) 7.291 17.467 ( -1.182 1.505 7.035) 7.291 18.163 ( 0.197 -1.523 6.315) 6.499 18.163 ( 0.197 1.523 6.315) 6.499 19.353 ( -0.680 -1.619 0.527) 1.833 19.353 ( -0.680 1.619 0.527) 1.833 19.708 ( 0.433 -1.135 -4.325) 4.493 19.708 ( 0.433 1.135 -4.325) 4.493 ======================= Grid point 61 (33/87) ======================= q-point: (-0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -4.074 -9.808 5.118) 11.789 0.647 ( -4.074 9.808 5.118) 11.789 0.748 ( -4.622 -10.542 5.376) 12.705 0.748 ( -4.622 10.542 5.376) 12.705 0.991 ( 0.293 -0.897 -0.770) 1.218 0.991 ( 0.293 0.897 -0.770) 1.218 1.172 ( -4.985 -10.626 11.312) 16.301 1.172 ( -4.985 10.626 11.312) 16.301 1.343 ( -1.825 -3.071 9.254) 9.920 1.343 ( -1.825 3.071 9.254) 9.920 1.512 ( 1.322 -4.094 0.367) 4.318 1.512 ( 1.322 4.094 0.367) 4.318 1.654 ( 0.887 -3.721 3.493) 5.180 1.654 ( 0.887 3.721 3.493) 5.180 1.812 ( 0.125 -2.376 -1.820) 2.995 1.812 ( 0.125 2.376 -1.820) 2.995 2.024 ( 0.263 -1.492 -2.252) 2.714 2.024 ( 0.263 1.492 -2.252) 2.714 2.205 ( 0.705 -2.293 0.359) 2.426 2.205 ( 0.705 2.293 0.359) 2.426 2.240 ( 0.520 -1.783 -0.725) 1.994 2.240 ( 0.520 1.783 -0.725) 1.994 2.468 ( 1.487 -4.914 -5.570) 7.575 2.468 ( 1.487 4.914 -5.570) 7.575 2.960 ( 0.116 -1.201 -3.422) 3.628 2.960 ( 0.116 1.201 -3.422) 3.628 3.784 ( 0.977 -0.172 -1.698) 1.967 3.784 ( 0.977 0.172 -1.698) 1.967 4.020 ( -0.329 -0.815 1.912) 2.105 4.020 ( -0.329 0.815 1.912) 2.105 4.150 ( 0.110 -0.348 0.002) 0.365 4.150 ( 0.110 0.348 0.002) 0.365 4.192 ( -1.120 -0.546 4.289) 4.467 4.192 ( -1.120 0.546 4.289) 4.467 4.380 ( -0.733 -0.428 4.399) 4.480 4.380 ( -0.733 0.428 4.399) 4.480 5.336 ( 0.362 -0.845 -0.974) 1.340 5.336 ( 0.362 0.845 -0.974) 1.340 5.713 ( 0.138 -0.634 -0.739) 0.984 5.713 ( 0.138 0.634 -0.739) 0.984 6.667 ( 0.169 -0.591 -0.604) 0.862 6.667 ( 0.169 0.591 -0.604) 0.862 6.749 ( 0.676 -0.334 -2.297) 2.418 6.749 ( 0.676 0.334 -2.297) 2.418 7.715 ( -0.195 -0.376 1.109) 1.187 7.715 ( -0.195 0.376 1.109) 1.187 8.027 ( 0.412 -0.167 -1.276) 1.351 8.027 ( 0.412 0.167 -1.276) 1.351 16.549 ( -0.649 -1.783 2.312) 2.991 16.549 ( -0.649 1.783 2.312) 2.991 16.572 ( -2.775 -4.464 9.613) 10.957 16.572 ( -2.775 4.464 9.613) 10.957 17.467 ( -2.451 -1.978 6.413) 7.145 17.467 ( -2.451 1.978 6.413) 7.145 18.194 ( -0.327 -0.700 4.595) 4.660 18.194 ( -0.327 0.700 4.595) 4.660 19.343 ( -0.683 -0.787 1.094) 1.511 19.343 ( -0.683 0.787 1.094) 1.511 19.700 ( 0.976 -1.122 -3.658) 3.949 19.700 ( 0.976 1.122 -3.658) 3.949 ======================= Grid point 70 (34/87) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 2.211 0.000 9.709) 9.957 0.606 ( -0.159 0.000 11.206) 11.208 0.919 ( -0.247 0.000 3.958) 3.966 0.990 ( 1.212 0.000 4.960) 5.106 1.041 ( 1.779 0.000 -4.172) 4.535 1.142 ( 2.095 0.000 5.137) 5.548 1.279 ( 0.233 0.000 5.326) 5.331 1.307 ( -1.545 0.000 5.314) 5.534 1.434 ( -1.615 0.000 1.024) 1.912 1.513 ( -0.250 0.000 2.288) 2.302 1.554 ( -1.849 0.000 -2.869) 3.413 1.619 ( -2.484 0.000 2.988) 3.886 1.702 ( 2.409 0.000 0.278) 2.425 1.779 ( 0.794 0.000 3.423) 3.514 1.782 ( -5.662 0.000 -0.521) 5.686 1.972 ( 2.864 0.000 0.543) 2.915 1.993 ( 0.939 0.000 3.478) 3.603 2.066 ( 3.449 0.000 -1.737) 3.861 2.108 ( 0.244 0.000 2.840) 2.851 2.159 ( 0.024 0.000 2.349) 2.349 2.187 ( -1.615 0.000 0.529) 1.700 2.296 ( -3.818 0.000 1.363) 4.054 2.309 ( -2.428 0.000 6.375) 6.822 2.501 ( 2.482 0.000 -1.190) 2.753 2.839 ( 1.826 0.000 -4.849) 5.182 2.891 ( -2.493 0.000 -2.226) 3.342 3.678 ( 1.282 0.000 -7.280) 7.392 3.700 ( 1.809 0.000 -5.673) 5.955 4.052 ( -0.952 0.000 2.357) 2.542 4.086 ( -0.213 0.000 2.001) 2.013 4.127 ( -0.021 0.000 -0.512) 0.513 4.141 ( -0.505 0.000 0.278) 0.576 4.351 ( -3.098 0.000 10.381) 10.834 4.379 ( -2.115 0.000 9.272) 9.510 4.459 ( -1.438 0.000 4.771) 4.983 4.497 ( -1.069 0.000 4.813) 4.930 5.289 ( 0.312 0.000 -0.824) 0.881 5.323 ( -0.727 0.000 -0.844) 1.114 5.667 ( 0.806 0.000 -2.566) 2.690 5.698 ( 1.166 0.000 -2.793) 3.026 6.632 ( -0.019 0.000 -1.134) 1.134 6.660 ( 0.160 0.000 -1.175) 1.186 6.684 ( 1.084 0.000 -2.905) 3.101 6.696 ( 1.108 0.000 -3.295) 3.477 7.742 ( -0.545 0.000 2.106) 2.175 7.761 ( -0.671 0.000 2.150) 2.252 7.983 ( 0.561 0.000 -2.345) 2.411 7.992 ( 0.632 0.000 -2.169) 2.259 16.555 ( -0.060 0.000 2.555) 2.556 16.607 ( 0.283 0.000 2.259) 2.277 16.668 ( -1.757 0.000 7.977) 8.168 16.888 ( -4.748 0.000 1.804) 5.079 17.533 ( -3.197 0.000 7.928) 8.548 17.708 ( -7.860 0.000 7.763) 11.048 18.210 ( -2.505 0.000 2.615) 3.621 18.278 ( -1.746 0.000 3.135) 3.588 19.359 ( -0.872 0.000 2.108) 2.281 19.447 ( 0.678 0.000 4.250) 4.303 19.575 ( 1.514 0.000 -4.697) 4.935 19.684 ( 2.560 0.000 -2.878) 3.852 ======================= Grid point 71 (35/87) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 2.762 0.000 8.899) 9.318 0.712 ( 5.656 0.000 4.655) 7.325 0.970 ( 3.121 0.000 3.850) 4.956 1.035 ( -0.363 0.000 -3.834) 3.851 1.041 ( 1.756 0.000 1.530) 2.329 1.212 ( 1.185 0.000 7.357) 7.452 1.265 ( -0.041 0.000 -3.285) 3.285 1.366 ( 0.666 0.000 13.523) 13.539 1.394 ( -1.925 0.000 0.792) 2.081 1.478 ( -4.131 0.000 -1.713) 4.472 1.491 ( -2.953 0.000 -0.873) 3.079 1.625 ( 0.472 0.000 5.425) 5.446 1.653 ( -6.427 0.000 -0.859) 6.484 1.759 ( 3.742 0.000 -0.791) 3.825 1.792 ( -1.476 0.000 2.022) 2.503 1.968 ( -5.300 0.000 4.217) 6.772 2.032 ( 1.636 0.000 4.611) 4.893 2.094 ( -0.477 0.000 -0.319) 0.574 2.097 ( -1.922 0.000 1.193) 2.262 2.163 ( -1.031 0.000 -0.312) 1.077 2.237 ( 4.305 0.000 1.304) 4.498 2.244 ( 0.023 0.000 -0.380) 0.380 2.293 ( -1.713 0.000 5.285) 5.555 2.571 ( 3.788 0.000 0.067) 3.788 2.826 ( -1.788 0.000 -2.573) 3.133 2.853 ( 1.632 0.000 -4.063) 4.379 3.662 ( 1.157 0.000 -7.171) 7.264 3.701 ( 1.463 0.000 -5.933) 6.111 4.047 ( -0.848 0.000 2.460) 2.602 4.093 ( -0.225 0.000 2.072) 2.084 4.121 ( -0.377 0.000 -0.299) 0.481 4.132 ( -0.443 0.000 0.224) 0.496 4.344 ( -3.119 0.000 10.180) 10.647 4.379 ( -2.834 0.000 8.766) 9.212 4.451 ( -1.913 0.000 4.895) 5.256 4.496 ( -1.727 0.000 5.012) 5.301 5.290 ( 0.095 0.000 -0.631) 0.638 5.306 ( -0.358 0.000 -0.800) 0.876 5.670 ( 0.849 0.000 -2.472) 2.614 5.705 ( 0.975 0.000 -2.649) 2.823 6.625 ( 0.051 0.000 -1.195) 1.196 6.656 ( 0.154 0.000 -1.246) 1.256 6.689 ( 0.945 0.000 -2.789) 2.944 6.701 ( 1.100 0.000 -3.276) 3.456 7.741 ( -0.683 0.000 2.083) 2.192 7.759 ( -0.758 0.000 2.153) 2.283 7.981 ( 0.494 0.000 -2.313) 2.365 7.993 ( 0.591 0.000 -2.150) 2.230 16.572 ( 0.326 0.000 2.313) 2.336 16.624 ( 0.044 0.000 2.156) 2.156 16.677 ( -1.557 0.000 7.873) 8.025 16.789 ( -6.509 0.000 5.637) 8.610 17.525 ( -2.014 0.000 8.638) 8.870 17.617 ( -5.648 0.000 9.445) 11.005 18.178 ( -1.942 0.000 2.824) 3.428 18.269 ( -1.104 0.000 4.231) 4.372 19.352 ( -0.949 0.000 1.927) 2.148 19.471 ( -0.400 0.000 3.445) 3.468 19.580 ( 1.474 0.000 -4.786) 5.008 19.710 ( 1.632 0.000 -3.363) 3.738 ======================= Grid point 72 (36/87) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.217 0.000 4.050) 4.228 0.833 ( 5.332 0.000 -3.313) 6.277 0.991 ( -1.498 0.000 -2.178) 2.643 1.062 ( 2.475 0.000 4.124) 4.810 1.063 ( 0.201 0.000 -1.381) 1.396 1.238 ( -2.594 0.000 6.141) 6.667 1.263 ( 1.312 0.000 -2.735) 3.034 1.380 ( -0.206 0.000 1.927) 1.938 1.392 ( -3.197 0.000 6.156) 6.937 1.425 ( -2.033 0.000 -1.199) 2.360 1.477 ( 3.067 0.000 6.680) 7.350 1.528 ( -5.171 0.000 -1.612) 5.416 1.679 ( 1.072 0.000 7.290) 7.368 1.754 ( -3.654 0.000 5.718) 6.786 1.821 ( 0.515 0.000 1.629) 1.708 1.884 ( -2.795 0.000 1.523) 3.183 2.033 ( -4.880 0.000 4.989) 6.979 2.052 ( -2.789 0.000 0.540) 2.841 2.084 ( 1.143 0.000 -3.735) 3.906 2.116 ( -2.665 0.000 0.921) 2.819 2.263 ( 2.172 0.000 0.183) 2.180 2.300 ( -0.758 0.000 5.047) 5.103 2.349 ( 4.756 0.000 0.922) 4.845 2.613 ( -0.419 0.000 2.042) 2.085 2.793 ( 0.511 0.000 -4.073) 4.105 2.879 ( 3.224 0.000 -4.678) 5.681 3.650 ( 1.467 0.000 -6.764) 6.922 3.695 ( 1.262 0.000 -6.132) 6.260 4.044 ( -0.830 0.000 2.583) 2.713 4.098 ( -0.412 0.000 2.070) 2.111 4.111 ( -0.444 0.000 0.108) 0.457 4.127 ( -0.084 0.000 0.056) 0.101 4.340 ( -2.618 0.000 9.732) 10.078 4.364 ( -3.205 0.000 8.635) 9.211 4.438 ( -2.013 0.000 5.050) 5.437 4.485 ( -2.077 0.000 5.061) 5.470 5.283 ( -0.273 0.000 -0.448) 0.525 5.306 ( 0.522 0.000 -0.371) 0.640 5.673 ( 0.741 0.000 -2.470) 2.579 5.707 ( 0.643 0.000 -2.579) 2.658 6.623 ( 0.302 0.000 -1.127) 1.167 6.654 ( 0.291 0.000 -1.305) 1.337 6.691 ( 0.805 0.000 -2.902) 3.011 6.703 ( 0.857 0.000 -3.189) 3.302 7.738 ( -0.728 0.000 2.073) 2.197 7.755 ( -0.740 0.000 2.133) 2.258 7.978 ( 0.521 0.000 -2.285) 2.344 7.993 ( 0.555 0.000 -2.152) 2.223 16.587 ( 0.068 0.000 1.689) 1.691 16.628 ( -0.682 0.000 1.608) 1.747 16.691 ( -1.510 0.000 7.300) 7.454 16.712 ( -4.260 0.000 7.202) 8.367 17.545 ( -1.138 0.000 9.959) 10.024 17.588 ( -2.736 0.000 10.362) 10.717 18.169 ( -0.783 0.000 4.115) 4.189 18.280 ( -0.511 0.000 5.644) 5.668 19.343 ( -0.901 0.000 1.833) 2.042 19.469 ( -1.241 0.000 2.448) 2.745 19.581 ( 1.373 0.000 -5.127) 5.307 19.710 ( 0.442 0.000 -4.611) 4.632 ======================= Grid point 73 (37/87) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.083 0.000 -1.961) 3.653 0.868 ( 0.881 0.000 -7.744) 7.794 0.971 ( 0.465 0.000 -1.386) 1.462 1.032 ( -1.612 0.000 -1.955) 2.534 1.077 ( -2.439 0.000 4.190) 4.848 1.211 ( -2.452 0.000 4.245) 4.902 1.287 ( 1.723 0.000 -0.101) 1.726 1.337 ( -5.851 0.000 -1.859) 6.139 1.421 ( 2.493 0.000 6.731) 7.178 1.431 ( 3.470 0.000 4.132) 5.396 1.485 ( 0.321 0.000 1.022) 1.071 1.546 ( -0.570 0.000 6.181) 6.207 1.675 ( -4.372 0.000 5.216) 6.806 1.775 ( -3.570 0.000 3.436) 4.955 1.782 ( 1.691 0.000 9.740) 9.886 1.900 ( 1.481 0.000 -0.543) 1.578 1.934 ( -6.274 0.000 1.773) 6.519 2.020 ( -0.626 0.000 0.504) 0.803 2.048 ( -1.477 0.000 -5.396) 5.595 2.109 ( 0.242 0.000 2.354) 2.366 2.309 ( -1.304 0.000 5.864) 6.008 2.311 ( 2.111 0.000 1.132) 2.395 2.419 ( 1.731 0.000 0.510) 1.805 2.587 ( -3.014 0.000 2.936) 4.208 2.795 ( 1.912 0.000 -5.587) 5.905 2.918 ( 3.002 0.000 -4.749) 5.619 3.648 ( 1.848 0.000 -6.295) 6.560 3.689 ( 1.474 0.000 -6.212) 6.384 4.042 ( -0.788 0.000 2.772) 2.882 4.098 ( -0.685 0.000 2.007) 2.120 4.107 ( -0.077 0.000 0.208) 0.222 4.130 ( 0.289 0.000 0.079) 0.299 4.345 ( -2.037 0.000 8.833) 9.065 4.351 ( -2.832 0.000 9.140) 9.569 4.430 ( -1.473 0.000 5.166) 5.372 4.471 ( -1.970 0.000 4.915) 5.295 5.279 ( 0.110 0.000 -0.294) 0.314 5.318 ( 0.765 0.000 0.041) 0.766 5.672 ( 0.533 0.000 -2.591) 2.646 5.704 ( 0.486 0.000 -2.603) 2.648 6.624 ( 0.424 0.000 -1.013) 1.098 6.655 ( 0.585 0.000 -1.292) 1.418 6.690 ( 0.655 0.000 -3.142) 3.210 6.701 ( 0.644 0.000 -3.124) 3.190 7.736 ( -0.645 0.000 2.078) 2.175 7.753 ( -0.607 0.000 2.139) 2.223 7.977 ( 0.621 0.000 -2.278) 2.361 7.992 ( 0.555 0.000 -2.176) 2.246 16.591 ( -0.428 0.000 1.207) 1.281 16.614 ( -1.354 0.000 1.033) 1.703 16.664 ( -3.324 0.000 6.837) 7.602 16.728 ( 0.242 0.000 6.960) 6.964 17.573 ( -1.660 0.000 10.339) 10.472 17.624 ( 0.057 0.000 12.192) 12.192 18.188 ( 0.012 0.000 5.312) 5.312 18.305 ( -0.443 0.000 6.527) 6.542 19.339 ( -0.501 0.000 1.996) 2.058 19.452 ( -1.521 0.000 1.432) 2.089 19.581 ( 1.435 0.000 -5.327) 5.517 19.681 ( -0.351 0.000 -5.888) 5.898 ======================= Grid point 74 (38/87) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -5.109 0.000 -3.463) 6.172 0.790 ( -4.576 0.000 -3.855) 5.983 0.976 ( 0.467 0.000 -2.007) 2.060 1.008 ( -0.188 0.000 -2.379) 2.386 1.057 ( -1.647 0.000 4.091) 4.410 1.170 ( -4.390 0.000 1.771) 4.734 1.238 ( -1.605 0.000 0.855) 1.819 1.312 ( 0.064 0.000 1.205) 1.206 1.498 ( -6.995 0.000 6.791) 9.749 1.500 ( -0.096 0.000 3.424) 3.425 1.531 ( 3.789 0.000 7.388) 8.303 1.540 ( 4.350 0.000 4.238) 6.074 1.630 ( -2.752 0.000 6.578) 7.130 1.754 ( 0.031 0.000 1.855) 1.855 1.824 ( -3.857 0.000 1.867) 4.285 1.877 ( 2.593 0.000 1.500) 2.995 1.919 ( 0.848 0.000 -0.150) 0.861 1.982 ( -3.249 0.000 0.605) 3.304 2.018 ( -0.013 0.000 -0.329) 0.330 2.130 ( 1.373 0.000 -2.482) 2.836 2.320 ( -1.115 0.000 7.475) 7.558 2.349 ( 0.664 0.000 1.929) 2.040 2.422 ( -1.551 0.000 0.648) 1.681 2.544 ( -2.377 0.000 2.142) 3.199 2.800 ( 1.814 0.000 -6.447) 6.697 2.941 ( 1.761 0.000 -3.778) 4.168 3.655 ( 2.164 0.000 -5.989) 6.368 3.689 ( 1.866 0.000 -6.221) 6.495 4.044 ( -0.474 0.000 2.928) 2.966 4.093 ( -0.936 0.000 1.905) 2.122 4.111 ( 0.362 0.000 0.082) 0.371 4.138 ( 0.436 0.000 0.094) 0.446 4.344 ( -2.367 0.000 8.804) 9.116 4.358 ( -1.878 0.000 9.121) 9.312 4.437 ( -0.722 0.000 5.158) 5.208 4.462 ( -1.410 0.000 4.666) 4.874 5.283 ( 0.352 0.000 -0.321) 0.476 5.333 ( 0.678 0.000 0.108) 0.687 5.668 ( 0.517 0.000 -2.716) 2.765 5.699 ( 0.459 0.000 -2.751) 2.789 6.628 ( 0.489 0.000 -0.905) 1.028 6.661 ( 0.624 0.000 -1.242) 1.390 6.684 ( 0.581 0.000 -3.325) 3.375 6.697 ( 0.641 0.000 -3.136) 3.201 7.735 ( -0.509 0.000 2.091) 2.152 7.754 ( -0.427 0.000 2.145) 2.187 7.979 ( 0.729 0.000 -2.293) 2.406 7.991 ( 0.579 0.000 -2.210) 2.284 16.583 ( -1.253 0.000 1.509) 1.961 16.592 ( -0.940 0.000 0.640) 1.137 16.646 ( -2.245 0.000 6.833) 7.192 16.786 ( 2.133 0.000 5.987) 6.356 17.590 ( -2.194 0.000 9.883) 10.124 17.703 ( 0.816 0.000 13.348) 13.373 18.219 ( -0.041 0.000 5.584) 5.584 18.325 ( -1.065 0.000 6.134) 6.226 19.346 ( 0.009 0.000 2.525) 2.525 19.427 ( -1.557 0.000 0.651) 1.688 19.582 ( 1.553 0.000 -5.091) 5.323 19.641 ( -0.126 0.000 -6.399) 6.401 ======================= Grid point 75 (39/87) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -3.726 0.000 0.064) 3.726 0.685 ( -5.707 0.000 3.977) 6.956 0.962 ( -1.256 0.000 0.128) 1.263 0.975 ( -2.424 0.000 0.457) 2.467 1.050 ( -0.796 0.000 1.056) 1.323 1.085 ( -3.253 0.000 0.601) 3.308 1.287 ( 4.135 0.000 3.227) 5.245 1.291 ( -2.897 0.000 2.042) 3.544 1.389 ( -6.868 0.000 8.292) 10.767 1.518 ( -0.280 0.000 4.371) 4.380 1.622 ( -1.272 0.000 7.904) 8.006 1.623 ( 1.845 0.000 2.833) 3.381 1.631 ( 1.539 0.000 2.453) 2.896 1.789 ( 2.051 0.000 2.371) 3.134 1.794 ( -0.092 0.000 2.123) 2.125 1.862 ( -1.513 0.000 -4.948) 5.174 1.943 ( 2.392 0.000 -1.793) 2.989 2.001 ( 2.385 0.000 5.433) 5.934 2.007 ( -0.935 0.000 -1.033) 1.393 2.132 ( 0.612 0.000 -2.947) 3.010 2.330 ( -2.659 0.000 8.883) 9.272 2.336 ( -3.381 0.000 1.205) 3.589 2.388 ( -1.984 0.000 2.374) 3.094 2.522 ( -0.561 0.000 -0.652) 0.860 2.802 ( 2.099 0.000 -6.103) 6.454 2.949 ( 0.787 0.000 -2.765) 2.875 3.668 ( 2.372 0.000 -5.966) 6.420 3.694 ( 1.925 0.000 -6.250) 6.540 4.054 ( -0.237 0.000 2.770) 2.780 4.084 ( -0.933 0.000 1.867) 2.087 4.120 ( 0.496 0.000 -0.138) 0.515 4.145 ( 0.233 0.000 0.081) 0.247 4.348 ( -2.304 0.000 9.447) 9.724 4.367 ( -2.206 0.000 9.095) 9.359 4.451 ( -0.807 0.000 4.948) 5.013 4.468 ( -0.439 0.000 4.550) 4.571 5.287 ( 0.289 0.000 -0.576) 0.645 5.343 ( 0.210 0.000 -0.210) 0.297 5.665 ( 0.704 0.000 -2.739) 2.828 5.694 ( 0.559 0.000 -2.917) 2.970 6.633 ( 0.468 0.000 -0.866) 0.984 6.664 ( 0.359 0.000 -1.205) 1.257 6.679 ( 0.748 0.000 -3.310) 3.393 6.693 ( 0.776 0.000 -3.209) 3.301 7.738 ( -0.422 0.000 2.108) 2.150 7.758 ( -0.357 0.000 2.119) 2.148 7.981 ( 0.767 0.000 -2.322) 2.445 7.991 ( 0.601 0.000 -2.225) 2.305 16.562 ( -1.454 0.000 1.785) 2.303 16.587 ( -0.308 0.000 1.227) 1.265 16.647 ( -1.513 0.000 7.238) 7.394 16.868 ( 3.239 0.000 3.567) 4.818 17.587 ( -3.247 0.000 8.922) 9.494 17.784 ( 0.045 0.000 11.699) 11.699 18.240 ( -0.779 0.000 4.916) 4.977 18.324 ( -1.925 0.000 4.555) 4.945 19.365 ( 0.225 0.000 3.356) 3.363 19.400 ( -1.395 0.000 0.720) 1.570 19.581 ( 0.953 0.000 -5.126) 5.214 19.623 ( 1.744 0.000 -5.146) 5.433 ======================= Grid point 76 (40/87) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -0.562 0.000 5.914) 5.941 0.611 ( -5.719 0.000 11.028) 12.422 0.931 ( -2.737 0.000 4.053) 4.891 0.954 ( -0.619 0.000 4.955) 4.993 1.030 ( 0.886 0.000 -3.860) 3.960 1.086 ( 1.182 0.000 2.936) 3.165 1.252 ( -2.173 0.000 6.130) 6.503 1.330 ( -2.920 0.000 4.526) 5.387 1.394 ( 4.235 0.000 2.343) 4.840 1.523 ( -1.753 0.000 3.882) 4.259 1.603 ( -2.569 0.000 0.812) 2.694 1.652 ( -0.514 0.000 0.205) 0.553 1.658 ( 1.358 0.000 1.543) 2.056 1.767 ( -3.279 0.000 6.965) 7.698 1.836 ( 0.206 0.000 2.944) 2.951 1.899 ( 5.264 0.000 -2.882) 6.001 1.972 ( -0.564 0.000 -1.614) 1.710 1.999 ( 3.788 0.000 -2.202) 4.381 2.069 ( 1.801 0.000 3.214) 3.685 2.140 ( 1.242 0.000 -0.331) 1.285 2.255 ( -4.742 0.000 1.279) 4.911 2.317 ( -3.064 0.000 9.190) 9.687 2.355 ( -3.012 0.000 2.441) 3.877 2.500 ( -0.749 0.000 -2.149) 2.276 2.821 ( 2.701 0.000 -5.505) 6.131 2.937 ( -0.763 0.000 -2.505) 2.619 3.682 ( 2.193 0.000 -6.524) 6.883 3.696 ( 1.665 0.000 -6.021) 6.247 4.058 ( -0.816 0.000 2.361) 2.498 4.081 ( -0.347 0.000 1.958) 1.989 4.127 ( 0.308 0.000 -0.360) 0.474 4.147 ( -0.182 0.000 0.133) 0.225 4.352 ( -2.595 0.000 10.145) 10.472 4.371 ( -2.272 0.000 9.466) 9.735 4.458 ( -1.050 0.000 4.741) 4.856 4.487 ( -0.411 0.000 4.643) 4.661 5.288 ( 0.199 0.000 -0.811) 0.835 5.338 ( -0.384 0.000 -0.625) 0.734 5.666 ( 0.783 0.000 -2.664) 2.777 5.692 ( 0.920 0.000 -2.937) 3.078 6.636 ( 0.237 0.000 -0.969) 0.997 6.663 ( 0.164 0.000 -1.166) 1.178 6.679 ( 1.010 0.000 -3.145) 3.304 6.693 ( 0.962 0.000 -3.254) 3.393 7.741 ( -0.436 0.000 2.118) 2.163 7.761 ( -0.487 0.000 2.107) 2.163 7.983 ( 0.691 0.000 -2.349) 2.449 7.991 ( 0.625 0.000 -2.202) 2.289 16.550 ( -0.827 0.000 2.294) 2.438 16.593 ( 0.047 0.000 1.867) 1.867 16.659 ( -1.487 0.000 7.717) 7.859 16.925 ( 0.644 0.000 0.715) 0.962 17.561 ( -3.794 0.000 8.070) 8.917 17.800 ( -4.279 0.000 7.532) 8.663 18.237 ( -1.844 0.000 3.738) 4.168 18.302 ( -2.223 0.000 3.070) 3.790 19.368 ( -1.214 0.000 1.990) 2.331 19.407 ( 0.791 0.000 3.992) 4.070 19.574 ( 1.189 0.000 -5.001) 5.141 19.647 ( 2.733 0.000 -3.492) 4.434 ======================= Grid point 77 (41/87) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 1.805 5.174 6.839) 8.764 0.660 ( 0.312 4.963 9.255) 10.506 0.893 ( 0.109 -3.412 4.163) 5.384 0.951 ( 1.449 -7.289 -1.526) 7.586 0.997 ( 0.957 1.347 4.429) 4.727 1.110 ( 1.588 -2.536 4.781) 5.640 1.319 ( 0.656 3.398 3.141) 4.673 1.375 ( -1.596 4.748 5.545) 7.472 1.447 ( 0.797 0.393 1.034) 1.363 1.492 ( -2.807 -0.018 2.494) 3.755 1.564 ( -0.515 -0.495 -1.105) 1.316 1.621 ( -3.192 0.966 0.838) 3.439 1.679 ( 1.292 -2.742 2.840) 4.154 1.748 ( -4.584 -2.886 1.009) 5.510 1.799 ( 0.243 2.088 3.881) 4.414 1.932 ( 3.115 -3.447 2.531) 5.291 1.969 ( -0.560 -1.360 2.386) 2.803 2.009 ( 1.149 -2.473 -1.145) 2.957 2.172 ( 0.607 2.297 1.824) 2.996 2.191 ( -1.601 2.829 1.451) 3.560 2.245 ( 1.507 4.042 -2.002) 4.756 2.288 ( -3.220 -0.711 1.153) 3.494 2.316 ( -1.206 1.407 5.890) 6.175 2.479 ( 2.604 -2.389 -1.066) 3.691 2.837 ( 1.191 0.032 -4.362) 4.522 2.874 ( -1.746 -1.396 -2.446) 3.314 3.686 ( 1.318 0.657 -7.126) 7.276 3.702 ( 1.721 0.079 -6.110) 6.348 4.054 ( -0.869 0.224 2.245) 2.418 4.077 ( -0.366 -0.765 1.947) 2.124 4.131 ( -0.093 0.360 -0.150) 0.401 4.142 ( -0.434 0.029 0.328) 0.545 4.355 ( -2.935 0.376 10.170) 10.592 4.374 ( -2.250 -0.414 9.402) 9.677 4.466 ( -1.434 0.627 4.759) 5.009 4.493 ( -1.152 -0.443 4.797) 4.953 5.293 ( 0.098 0.414 -0.789) 0.896 5.317 ( -0.619 -0.516 -0.823) 1.152 5.672 ( 0.855 0.442 -2.589) 2.762 5.694 ( 1.110 -0.404 -2.752) 2.994 6.636 ( 0.018 0.367 -1.144) 1.202 6.655 ( 0.150 -0.401 -1.182) 1.257 6.687 ( 1.080 0.222 -2.982) 3.179 6.695 ( 1.100 -0.108 -3.249) 3.432 7.745 ( -0.556 0.234 2.114) 2.199 7.758 ( -0.642 -0.291 2.151) 2.264 7.985 ( 0.569 0.162 -2.333) 2.407 7.991 ( 0.619 -0.091 -2.218) 2.305 16.563 ( 0.034 0.802 2.500) 2.626 16.601 ( 0.279 -0.650 2.298) 2.405 16.692 ( -2.238 2.331 7.857) 8.496 16.845 ( -4.425 -3.784 3.923) 7.020 17.548 ( -3.562 1.463 8.266) 9.119 17.663 ( -6.596 -3.618 8.896) 11.650 18.227 ( -2.459 1.438 2.220) 3.612 18.274 ( -1.824 -0.446 2.750) 3.330 19.368 ( -0.716 0.883 2.246) 2.517 19.427 ( 0.343 -1.602 3.487) 3.853 19.596 ( 1.702 1.792 -3.964) 4.671 19.671 ( 2.410 -1.272 -2.978) 4.037 ======================= Grid point 78 (42/87) ======================= q-point: ( 0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 1.455 2.533 8.003) 8.520 0.775 ( 5.974 4.792 2.786) 8.150 0.924 ( 0.435 -5.352 3.130) 6.215 0.983 ( 2.827 -3.004 -0.616) 4.170 1.058 ( 2.417 1.085 1.916) 3.270 1.174 ( 1.171 -2.838 6.164) 6.886 1.288 ( -1.030 1.762 -2.028) 2.877 1.406 ( -1.611 1.548 4.602) 5.116 1.433 ( -3.918 -0.404 0.816) 4.022 1.440 ( -0.786 2.899 4.669) 5.552 1.526 ( -2.956 2.035 -1.214) 3.788 1.602 ( -2.539 -1.074 4.529) 5.302 1.644 ( -2.514 -1.535 0.351) 2.966 1.736 ( 1.850 -2.991 2.498) 4.314 1.826 ( 0.157 3.551 3.256) 4.820 1.938 ( -3.691 -1.301 4.616) 6.052 2.005 ( 1.469 -3.447 2.541) 4.527 2.019 ( 0.661 -3.526 -1.039) 3.735 2.148 ( -2.969 2.753 2.417) 4.716 2.192 ( -0.465 2.004 -0.144) 2.062 2.226 ( -2.291 -0.906 1.740) 3.016 2.247 ( -0.343 -0.099 -0.146) 0.385 2.363 ( 3.196 5.479 1.952) 6.637 2.547 ( 3.664 -2.414 0.164) 4.391 2.823 ( -0.951 -0.075 -2.762) 2.923 2.844 ( 1.190 -0.739 -3.779) 4.030 3.671 ( 1.155 0.794 -7.051) 7.189 3.699 ( 1.357 -0.276 -6.225) 6.377 4.049 ( -0.815 0.267 2.294) 2.449 4.079 ( -0.465 -1.052 1.882) 2.206 4.127 ( -0.270 0.439 0.031) 0.516 4.135 ( -0.392 0.175 0.408) 0.593 4.349 ( -3.073 0.485 9.956) 10.431 4.374 ( -2.864 -0.493 8.985) 9.443 4.459 ( -1.898 0.659 4.918) 5.313 4.490 ( -1.757 -0.557 4.994) 5.323 5.291 ( 0.005 0.105 -0.602) 0.611 5.302 ( -0.335 -0.320 -0.737) 0.870 5.676 ( 0.874 0.505 -2.499) 2.696 5.701 ( 0.963 -0.455 -2.627) 2.835 6.630 ( 0.062 0.408 -1.214) 1.282 6.651 ( 0.129 -0.449 -1.264) 1.347 6.692 ( 0.974 0.213 -2.857) 3.026 6.700 ( 1.075 -0.106 -3.201) 3.379 7.744 ( -0.691 0.219 2.090) 2.212 7.756 ( -0.742 -0.256 2.139) 2.279 7.983 ( 0.506 0.191 -2.297) 2.360 7.991 ( 0.575 -0.139 -2.187) 2.265 16.580 ( 0.247 0.806 2.295) 2.444 16.617 ( 0.078 -0.614 2.165) 2.252 16.690 ( -2.121 1.219 7.825) 8.198 16.768 ( -5.616 -1.878 6.401) 8.720 17.534 ( -2.345 0.900 8.830) 9.180 17.598 ( -4.771 -1.692 9.523) 10.785 18.196 ( -1.894 1.579 2.851) 3.770 18.260 ( -1.303 -0.916 3.830) 4.148 19.365 ( -0.828 1.208 2.020) 2.495 19.444 ( -0.346 -2.131 2.719) 3.471 19.606 ( 1.353 2.142 -4.029) 4.760 19.694 ( 1.558 -1.523 -3.413) 4.049 ======================= Grid point 79 (43/87) ======================= q-point: ( 0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 1.595 1.004 4.251) 4.650 0.868 ( 1.954 1.643 -2.328) 3.455 0.941 ( 1.212 -2.919 -0.431) 3.190 1.033 ( 1.667 -1.962 -3.588) 4.417 1.093 ( -0.009 1.877 3.599) 4.059 1.186 ( -1.011 -2.394 3.463) 4.330 1.324 ( 2.227 1.134 2.976) 3.886 1.363 ( -1.977 -1.284 0.585) 2.429 1.367 ( -2.743 -0.707 0.257) 2.844 1.451 ( -2.047 3.432 6.263) 7.429 1.495 ( -1.724 -0.531 1.841) 2.577 1.511 ( -2.590 -0.315 1.700) 3.114 1.682 ( 0.896 0.317 5.836) 5.913 1.761 ( -1.335 -1.017 5.403) 5.658 1.843 ( -1.391 2.946 4.117) 5.250 1.892 ( -0.875 1.246 0.256) 1.544 1.984 ( -1.930 -3.115 0.964) 3.789 2.054 ( 0.752 -2.244 0.600) 2.442 2.091 ( -3.658 1.774 0.312) 4.077 2.135 ( -3.644 0.989 0.352) 3.792 2.228 ( 0.588 -1.580 2.420) 2.950 2.269 ( 1.328 -1.702 1.141) 2.441 2.434 ( 2.646 5.332 1.714) 6.194 2.594 ( 0.149 -1.973 1.956) 2.782 2.803 ( 0.844 0.913 -3.952) 4.143 2.862 ( 2.788 -1.454 -4.473) 5.468 3.659 ( 1.409 0.786 -6.727) 6.917 3.691 ( 1.259 -0.454 -6.289) 6.430 4.046 ( -0.756 0.266 2.379) 2.510 4.079 ( -0.514 -1.232 1.763) 2.212 4.122 ( -0.283 0.579 0.382) 0.749 4.132 ( -0.202 0.239 0.365) 0.481 4.343 ( -2.755 0.300 9.547) 9.941 4.360 ( -3.176 -0.383 8.778) 9.343 4.446 ( -1.977 0.722 5.093) 5.511 4.479 ( -2.033 -0.552 5.085) 5.504 5.285 ( -0.154 0.199 -0.398) 0.471 5.301 ( 0.404 -0.425 -0.340) 0.678 5.679 ( 0.736 0.503 -2.491) 2.646 5.703 ( 0.666 -0.432 -2.569) 2.689 6.627 ( 0.299 0.392 -1.178) 1.277 6.648 ( 0.294 -0.467 -1.329) 1.439 6.694 ( 0.807 0.221 -2.902) 3.020 6.702 ( 0.843 -0.107 -3.127) 3.241 7.740 ( -0.731 0.214 2.079) 2.214 7.752 ( -0.739 -0.248 2.121) 2.259 7.981 ( 0.526 0.217 -2.270) 2.340 7.991 ( 0.551 -0.173 -2.178) 2.253 16.593 ( -0.122 0.555 1.709) 1.801 16.622 ( -0.711 -0.566 1.645) 1.879 16.694 ( -1.769 0.276 7.296) 7.513 16.709 ( -3.707 -0.314 7.262) 8.160 17.550 ( -1.317 0.445 10.047) 10.142 17.580 ( -2.413 -0.727 10.344) 10.647 18.188 ( -0.798 1.706 4.267) 4.665 18.266 ( -0.607 -1.331 5.344) 5.540 19.358 ( -0.852 1.387 1.831) 2.450 19.444 ( -0.937 -2.142 1.997) 3.075 19.606 ( 0.995 2.039 -4.677) 5.198 19.693 ( 0.497 -1.550 -4.585) 4.865 ======================= Grid point 80 (44/87) ======================= q-point: (-0.57 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.996 1.482 -1.176) 3.543 0.863 ( 0.710 -1.094 -3.832) 4.047 0.944 ( -0.655 -1.523 -4.308) 4.615 0.994 ( -2.151 -2.574 -3.171) 4.616 1.099 ( -1.006 1.900 4.505) 4.992 1.199 ( -2.149 -1.516 5.376) 5.985 1.305 ( -0.418 0.963 -0.567) 1.193 1.318 ( -3.709 -0.906 0.004) 3.818 1.403 ( 3.148 -1.218 4.495) 5.622 1.468 ( 0.979 2.189 4.830) 5.392 1.478 ( 0.864 0.123 2.833) 2.964 1.543 ( 0.269 -0.409 6.238) 6.257 1.688 ( -2.574 1.110 3.665) 4.614 1.743 ( -3.508 -0.860 4.101) 5.465 1.851 ( 0.070 3.341 6.713) 7.499 1.887 ( -0.759 -0.555 1.159) 1.492 1.960 ( -1.658 2.303 0.242) 2.848 2.021 ( -2.075 0.346 0.404) 2.142 2.035 ( -1.399 -1.055 -4.341) 4.682 2.109 ( 0.381 -0.850 2.814) 2.964 2.251 ( -0.148 -2.351 3.231) 3.999 2.296 ( 0.670 -2.314 1.618) 2.902 2.474 ( 0.302 3.872 1.782) 4.273 2.580 ( -2.417 -0.928 2.721) 3.756 2.809 ( 2.053 1.437 -5.241) 5.809 2.897 ( 2.914 -1.920 -4.703) 5.857 3.656 ( 1.804 0.684 -6.324) 6.612 3.684 ( 1.536 -0.433 -6.272) 6.472 4.045 ( -0.666 0.343 2.555) 2.662 4.079 ( -0.430 -1.188 1.765) 2.170 4.120 ( -0.238 0.647 0.512) 0.859 4.132 ( 0.086 0.098 0.257) 0.288 4.343 ( -2.236 -0.067 8.809) 9.089 4.348 ( -2.755 -0.230 9.111) 9.521 4.439 ( -1.502 0.730 5.192) 5.454 4.467 ( -1.856 -0.390 4.990) 5.338 5.284 ( 0.221 0.445 -0.219) 0.543 5.311 ( 0.686 -0.616 0.018) 0.923 5.678 ( 0.535 0.488 -2.594) 2.693 5.700 ( 0.502 -0.392 -2.603) 2.680 6.628 ( 0.450 0.382 -1.082) 1.233 6.650 ( 0.568 -0.479 -1.315) 1.510 6.692 ( 0.643 0.215 -3.079) 3.152 6.700 ( 0.641 -0.098 -3.101) 3.168 7.738 ( -0.644 0.217 2.086) 2.194 7.750 ( -0.617 -0.261 2.129) 2.232 7.980 ( 0.615 0.224 -2.267) 2.359 7.990 ( 0.570 -0.175 -2.196) 2.276 16.593 ( -0.622 0.204 1.208) 1.374 16.608 ( -1.362 -0.476 1.221) 1.890 16.676 ( -2.704 1.002 6.727) 7.319 16.719 ( -0.293 -0.787 6.957) 7.007 17.579 ( -1.451 0.582 10.619) 10.734 17.615 ( -0.254 -0.810 11.924) 11.954 18.207 ( -0.071 1.702 5.444) 5.704 18.289 ( -0.395 -1.489 6.306) 6.491 19.353 ( -0.563 1.339 1.887) 2.381 19.431 ( -1.178 -1.790 1.403) 2.561 19.598 ( 0.989 1.516 -5.286) 5.587 19.668 ( -0.161 -1.279 -5.770) 5.912 ======================= Grid point 81 (45/87) ======================= q-point: (-0.43 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -4.041 3.208 -2.142) 5.586 0.811 ( -3.776 1.848 -4.691) 6.299 0.921 ( 1.283 -5.917 -1.830) 6.325 0.940 ( -2.091 -3.595 -2.880) 5.059 1.101 ( -2.005 2.039 5.036) 5.792 1.137 ( -6.125 -1.391 4.745) 7.872 1.259 ( -0.381 2.116 0.681) 2.255 1.344 ( 1.604 0.857 0.090) 1.821 1.470 ( -0.444 -1.314 4.361) 4.576 1.491 ( 0.015 -0.760 3.452) 3.534 1.552 ( 2.932 1.479 7.135) 7.855 1.565 ( -1.233 1.510 5.167) 5.523 1.658 ( -1.830 1.961 4.909) 5.594 1.701 ( -1.321 -2.457 1.744) 3.290 1.826 ( -3.031 0.261 2.488) 3.930 1.890 ( -2.414 -1.930 1.092) 3.278 1.968 ( 3.138 5.836 2.917) 7.239 1.991 ( -1.112 0.678 -1.422) 1.928 2.008 ( 0.051 -0.339 -1.251) 1.297 2.148 ( 2.080 0.743 -1.024) 2.434 2.260 ( -0.890 -3.910 5.604) 6.891 2.311 ( -0.090 -3.257 1.552) 3.609 2.462 ( -2.494 2.719 1.921) 4.160 2.542 ( -2.501 -0.604 1.994) 3.255 2.820 ( 1.944 1.919 -5.759) 6.374 2.920 ( 1.817 -1.953 -3.991) 4.801 3.662 ( 2.199 0.632 -6.053) 6.471 3.686 ( 1.969 -0.299 -6.222) 6.533 4.048 ( -0.450 0.375 2.695) 2.758 4.079 ( -0.566 -0.979 1.881) 2.194 4.120 ( 0.065 0.620 0.288) 0.687 4.137 ( 0.298 -0.120 0.201) 0.379 4.344 ( -2.271 -0.019 8.825) 9.112 4.354 ( -1.941 -0.373 9.078) 9.290 4.444 ( -0.835 0.578 5.127) 5.227 4.461 ( -1.294 -0.134 4.756) 4.931 5.290 ( 0.419 0.644 -0.240) 0.805 5.325 ( 0.652 -0.743 0.059) 0.990 5.673 ( 0.511 0.487 -2.721) 2.811 5.695 ( 0.470 -0.373 -2.746) 2.811 6.632 ( 0.508 0.397 -0.985) 1.177 6.655 ( 0.608 -0.520 -1.289) 1.517 6.687 ( 0.580 0.240 -3.202) 3.263 6.696 ( 0.638 -0.103 -3.136) 3.202 7.738 ( -0.505 0.228 2.103) 2.175 7.751 ( -0.450 -0.292 2.142) 2.208 7.981 ( 0.714 0.208 -2.287) 2.405 7.990 ( 0.611 -0.143 -2.231) 2.318 16.582 ( -1.323 -0.058 1.470) 1.979 16.589 ( -0.865 -0.275 0.799) 1.209 16.668 ( -1.776 1.941 6.744) 7.239 16.764 ( 1.270 -1.950 6.310) 6.725 17.603 ( -1.989 1.223 10.380) 10.639 17.682 ( 0.006 -1.923 12.843) 12.986 18.236 ( -0.080 1.584 5.594) 5.815 18.311 ( -0.858 -1.342 5.992) 6.200 19.357 ( -0.180 1.012 2.296) 2.515 19.414 ( -1.270 -1.210 0.982) 2.011 19.591 ( 1.247 0.821 -5.287) 5.494 19.633 ( 0.091 -0.792 -6.213) 6.264 ======================= Grid point 82 (46/87) ======================= q-point: (-0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -2.835 5.537 0.063) 6.221 0.719 ( -4.304 2.966 2.226) 5.681 0.893 ( -0.769 -4.175 -1.769) 4.599 0.944 ( 0.669 -6.456 -1.149) 6.592 1.038 ( -5.086 -0.455 3.691) 6.301 1.074 ( -3.017 0.293 5.149) 5.975 1.282 ( 0.093 2.403 2.858) 3.735 1.345 ( -0.885 1.646 1.846) 2.627 1.435 ( -3.562 3.271 4.284) 6.460 1.515 ( -0.001 0.464 4.625) 4.648 1.575 ( -0.356 -2.265 4.032) 4.638 1.630 ( 0.918 -0.410 4.934) 5.035 1.668 ( -0.224 1.441 4.002) 4.259 1.732 ( 3.599 -3.182 1.416) 5.009 1.803 ( -0.700 0.566 2.033) 2.223 1.839 ( -2.741 -1.521 0.810) 3.238 1.972 ( 0.650 1.076 -2.251) 2.578 1.994 ( -0.467 -0.627 -1.659) 1.834 2.065 ( 3.928 5.626 3.137) 7.545 2.158 ( 0.228 2.366 -1.871) 3.025 2.272 ( -1.547 -3.576 4.834) 6.208 2.319 ( 0.110 -3.663 2.583) 4.484 2.405 ( -4.254 2.121 2.912) 5.575 2.504 ( -1.915 -1.776 0.145) 2.615 2.825 ( 1.737 2.091 -5.396) 6.043 2.927 ( 0.730 -2.046 -3.161) 3.836 3.676 ( 2.448 0.653 -6.094) 6.600 3.693 ( 2.078 -0.076 -6.254) 6.591 4.055 ( -0.328 0.191 2.583) 2.611 4.076 ( -0.754 -0.641 1.903) 2.145 4.125 ( 0.337 0.496 0.072) 0.604 4.144 ( 0.231 -0.196 0.193) 0.359 4.349 ( -2.203 0.135 9.381) 9.637 4.362 ( -2.145 -0.375 9.125) 9.381 4.456 ( -0.775 0.449 4.891) 4.972 4.468 ( -0.519 -0.036 4.587) 4.616 5.295 ( 0.291 0.743 -0.506) 0.945 5.334 ( 0.237 -0.772 -0.250) 0.846 5.670 ( 0.671 0.442 -2.762) 2.877 5.690 ( 0.571 -0.341 -2.892) 2.967 6.637 ( 0.462 0.363 -0.953) 1.119 6.658 ( 0.415 -0.507 -1.298) 1.454 6.683 ( 0.722 0.278 -3.157) 3.250 6.692 ( 0.770 -0.113 -3.194) 3.288 7.740 ( -0.419 0.243 2.122) 2.176 7.755 ( -0.380 -0.329 2.135) 2.194 7.983 ( 0.749 0.177 -2.318) 2.442 7.990 ( 0.638 -0.095 -2.260) 2.350 16.564 ( -1.203 0.210 1.741) 2.126 16.582 ( -0.434 -0.434 1.297) 1.435 16.676 ( -1.233 2.711 7.144) 7.740 16.830 ( 2.068 -3.425 4.775) 6.229 17.605 ( -3.227 1.777 9.503) 10.192 17.737 ( -1.421 -3.838 11.800) 12.490 18.258 ( -0.598 1.491 4.612) 4.884 18.315 ( -1.616 -0.901 4.487) 4.853 19.370 ( -0.021 0.423 2.990) 3.020 19.394 ( -1.165 -0.526 1.160) 1.726 19.588 ( 1.102 0.581 -5.094) 5.244 19.617 ( 1.657 -0.560 -5.120) 5.410 ======================= Grid point 83 (47/87) ======================= q-point: (-0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.229 5.854 3.785) 6.974 0.664 ( -4.315 4.611 8.785) 10.820 0.885 ( -1.328 -3.158 4.047) 5.302 0.933 ( 1.115 -7.194 -3.329) 8.005 0.992 ( -2.670 1.069 5.314) 6.042 1.068 ( 0.358 -1.599 3.178) 3.576 1.276 ( -1.258 2.727 6.860) 7.489 1.384 ( 2.086 -0.754 2.668) 3.470 1.403 ( -1.127 5.274 2.419) 5.911 1.526 ( -1.910 0.903 4.238) 4.736 1.579 ( -0.517 -2.319 0.686) 2.473 1.650 ( -0.402 -1.622 3.419) 3.806 1.675 ( -0.752 2.142 -0.557) 2.338 1.768 ( -2.646 -0.320 6.758) 7.264 1.817 ( -0.913 -1.365 1.923) 2.529 1.843 ( 4.566 -3.387 0.311) 5.694 1.970 ( -0.331 -0.108 -1.226) 1.274 1.992 ( 1.625 -0.680 -2.413) 2.988 2.142 ( 2.091 4.129 1.423) 4.842 2.167 ( 1.714 3.718 0.635) 4.144 2.253 ( -1.389 -0.681 0.442) 1.609 2.322 ( -2.521 -0.735 6.467) 6.980 2.343 ( -3.305 0.369 2.733) 4.305 2.472 ( -0.794 -2.817 -1.402) 3.246 2.833 ( 1.751 1.178 -4.944) 5.375 2.913 ( -0.628 -2.098 -2.758) 3.522 3.690 ( 2.159 0.599 -6.678) 7.043 3.698 ( 1.844 0.186 -6.148) 6.421 4.058 ( -0.736 0.095 2.289) 2.406 4.074 ( -0.443 -0.561 1.945) 2.072 4.131 ( 0.193 0.405 -0.071) 0.455 4.147 ( -0.118 -0.104 0.214) 0.265 4.355 ( -2.491 0.223 9.973) 10.282 4.368 ( -2.278 -0.283 9.479) 9.753 4.464 ( -0.976 0.559 4.696) 4.829 4.484 ( -0.547 -0.247 4.639) 4.677 5.295 ( 0.092 0.686 -0.766) 1.032 5.331 ( -0.309 -0.695 -0.639) 0.994 5.670 ( 0.787 0.394 -2.693) 2.833 5.689 ( 0.885 -0.333 -2.890) 3.041 6.639 ( 0.253 0.328 -1.022) 1.103 6.658 ( 0.246 -0.427 -1.220) 1.316 6.683 ( 0.957 0.269 -3.099) 3.254 6.692 ( 0.954 -0.116 -3.231) 3.371 7.743 ( -0.440 0.247 2.129) 2.188 7.758 ( -0.480 -0.332 2.134) 2.212 7.985 ( 0.684 0.153 -2.342) 2.445 7.991 ( 0.640 -0.068 -2.254) 2.344 16.556 ( -0.608 0.564 2.228) 2.378 16.586 ( -0.024 -0.593 1.923) 2.013 16.689 ( -1.578 2.948 7.565) 8.271 16.875 ( -0.198 -4.438 3.022) 5.373 17.580 ( -4.031 1.868 8.573) 9.656 17.735 ( -4.793 -5.100 9.375) 11.699 18.257 ( -1.676 1.436 2.998) 3.723 18.298 ( -1.977 -0.433 2.968) 3.592 19.372 ( -0.971 0.419 2.152) 2.398 19.400 ( 0.390 -0.676 3.457) 3.544 19.586 ( 1.503 1.142 -4.567) 4.942 19.638 ( 2.549 -0.901 -3.605) 4.506 ======================= Grid point 84 (48/87) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 1.381 -2.155 3.941) 4.700 0.762 ( 1.381 2.155 3.941) 4.700 0.804 ( 0.587 -1.734 4.092) 4.483 0.804 ( 0.587 1.734 4.092) 4.483 1.049 ( 1.029 -3.228 4.319) 5.489 1.049 ( 1.029 3.228 4.319) 5.489 1.387 ( 0.261 -2.746 2.042) 3.432 1.387 ( 0.261 2.746 2.042) 3.432 1.495 ( -0.795 -2.843 0.957) 3.103 1.495 ( -0.795 2.843 0.957) 3.103 1.575 ( -1.071 -4.193 4.745) 6.422 1.575 ( -1.071 4.193 4.745) 6.422 1.684 ( -4.083 -3.041 1.648) 5.351 1.684 ( -4.083 3.041 1.648) 5.351 1.857 ( 2.381 -3.472 3.326) 5.365 1.857 ( 2.381 3.472 3.326) 5.365 1.969 ( -0.522 -1.318 0.144) 1.425 1.969 ( -0.522 1.318 0.144) 1.425 2.213 ( -0.438 -1.008 1.455) 1.824 2.213 ( -0.438 1.008 1.455) 1.824 2.275 ( -2.054 -0.402 0.851) 2.259 2.275 ( -2.054 0.402 0.851) 2.259 2.400 ( 2.726 -5.104 0.020) 5.787 2.400 ( 2.726 5.104 0.020) 5.787 2.847 ( -0.242 -0.987 -3.321) 3.473 2.847 ( -0.242 0.987 -3.321) 3.473 3.698 ( 1.498 -0.473 -6.726) 6.907 3.698 ( 1.498 0.473 -6.726) 6.907 4.062 ( -0.649 -0.609 2.045) 2.230 4.062 ( -0.649 0.609 2.045) 2.230 4.139 ( -0.266 -0.322 0.261) 0.492 4.139 ( -0.266 0.322 0.261) 0.492 4.364 ( -2.580 -0.524 9.747) 10.096 4.364 ( -2.580 0.524 9.747) 10.096 4.481 ( -1.330 -0.728 4.767) 5.002 4.481 ( -1.330 0.728 4.767) 5.002 5.304 ( -0.309 -0.681 -0.785) 1.084 5.304 ( -0.309 0.681 -0.785) 1.084 5.683 ( 0.979 -0.594 -2.661) 2.897 5.683 ( 0.979 0.594 -2.661) 2.897 6.645 ( 0.095 -0.540 -1.170) 1.292 6.645 ( 0.095 0.540 -1.170) 1.292 6.692 ( 1.086 -0.228 -3.128) 3.319 6.692 ( 1.086 0.228 -3.128) 3.319 7.751 ( -0.591 -0.363 2.136) 2.246 7.751 ( -0.591 0.363 2.136) 2.246 7.989 ( 0.592 -0.182 -2.291) 2.373 7.989 ( 0.592 0.182 -2.291) 2.373 16.583 ( 0.204 -1.015 2.389) 2.604 16.583 ( 0.204 1.015 2.389) 2.604 16.760 ( -3.391 -4.132 6.825) 8.670 16.760 ( -3.391 4.132 6.825) 8.670 17.593 ( -4.704 -2.975 9.019) 10.598 17.593 ( -4.704 2.975 9.019) 10.598 18.257 ( -2.127 -1.291 2.240) 3.348 18.257 ( -2.127 1.291 2.240) 3.348 19.393 ( -0.257 -1.579 2.683) 3.124 19.393 ( -0.257 1.579 2.683) 3.124 19.637 ( 2.061 -1.990 -3.291) 4.363 19.637 ( 2.061 1.990 -3.291) 4.363 ======================= Grid point 86 (49/87) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.151 -5.835 5.569) 8.068 0.791 ( -0.151 5.835 5.569) 8.068 0.892 ( 5.628 -5.335 -0.319) 7.761 0.892 ( 5.628 5.335 -0.319) 7.761 1.108 ( 1.817 -3.357 5.195) 6.447 1.108 ( 1.817 3.357 5.195) 6.447 1.344 ( -3.296 -3.628 -1.331) 5.079 1.344 ( -3.296 3.628 -1.331) 5.079 1.481 ( -1.411 -0.828 1.835) 2.458 1.481 ( -1.411 0.828 1.835) 2.458 1.571 ( -4.136 -2.969 0.935) 5.176 1.571 ( -4.136 2.969 0.935) 5.176 1.652 ( 0.821 -3.872 7.321) 8.322 1.652 ( 0.821 3.872 7.321) 8.322 1.912 ( 0.726 -4.270 3.745) 5.726 1.912 ( 0.726 4.270 3.745) 5.726 1.957 ( -0.298 -2.230 -0.327) 2.274 1.957 ( -0.298 2.230 -0.327) 2.274 2.197 ( -2.725 -1.878 2.274) 4.015 2.197 ( -2.725 1.878 2.274) 4.015 2.231 ( -1.213 -1.417 -0.505) 1.933 2.231 ( -1.213 1.417 -0.505) 1.933 2.473 ( 3.762 -4.831 0.369) 6.134 2.473 ( 3.762 4.831 0.369) 6.134 2.829 ( 0.291 -0.630 -3.213) 3.287 2.829 ( 0.291 0.630 -3.213) 3.287 3.688 ( 1.207 -0.778 -6.716) 6.868 3.688 ( 1.207 0.778 -6.716) 6.868 4.060 ( -0.696 -0.776 2.017) 2.270 4.060 ( -0.696 0.776 2.017) 2.270 4.135 ( -0.299 -0.257 0.369) 0.540 4.135 ( -0.299 0.257 0.369) 0.540 4.361 ( -2.964 -0.672 9.468) 9.944 4.361 ( -2.964 0.672 9.468) 9.944 4.475 ( -1.832 -0.862 4.960) 5.357 4.475 ( -1.832 0.862 4.960) 5.357 5.295 ( -0.198 -0.322 -0.630) 0.734 5.295 ( -0.198 0.322 -0.630) 0.734 5.689 ( 0.926 -0.674 -2.565) 2.809 5.689 ( 0.926 0.674 -2.565) 2.809 6.640 ( 0.090 -0.595 -1.253) 1.390 6.640 ( 0.090 0.595 -1.253) 1.390 6.697 ( 1.026 -0.217 -3.028) 3.204 6.697 ( 1.026 0.217 -3.028) 3.204 7.749 ( -0.712 -0.333 2.111) 2.252 7.749 ( -0.712 0.333 2.111) 2.252 7.988 ( 0.538 -0.234 -2.251) 2.327 7.988 ( 0.538 0.234 -2.251) 2.327 16.600 ( 0.139 -1.023 2.219) 2.447 16.600 ( 0.139 1.023 2.219) 2.447 16.724 ( -3.706 -2.096 7.455) 8.585 16.724 ( -3.706 2.096 7.455) 8.585 17.561 ( -3.317 -1.686 9.274) 9.992 17.561 ( -3.317 1.686 9.274) 9.992 18.232 ( -1.657 -1.774 3.183) 4.003 18.232 ( -1.657 1.774 3.183) 4.003 19.399 ( -0.549 -2.121 2.256) 3.145 19.399 ( -0.549 2.121 2.256) 3.145 19.653 ( 1.406 -2.345 -3.577) 4.503 19.653 ( 1.406 2.345 -3.577) 4.503 ======================= Grid point 88 (50/87) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.062 -3.763 3.656) 5.247 0.818 ( 0.062 3.763 3.656) 5.247 0.973 ( 2.954 -3.591 -5.001) 6.829 0.973 ( 2.954 3.591 -5.001) 6.829 1.140 ( -0.975 -2.427 4.184) 4.935 1.140 ( -0.975 2.427 4.184) 4.935 1.318 ( 0.681 -0.807 2.840) 3.029 1.318 ( 0.681 0.807 2.840) 3.029 1.434 ( -3.986 -3.777 -0.338) 5.502 1.434 ( -3.986 3.777 -0.338) 5.502 1.512 ( -1.642 -1.236 4.263) 4.733 1.512 ( -1.642 1.236 4.263) 4.733 1.711 ( 0.483 -2.699 5.937) 6.540 1.711 ( 0.483 2.699 5.937) 6.540 1.903 ( -2.383 -2.303 3.258) 4.647 1.903 ( -2.383 2.303 3.258) 4.647 1.980 ( 2.211 -4.139 -1.006) 4.799 1.980 ( 2.211 4.139 -1.006) 4.799 2.128 ( -4.597 -1.495 1.107) 4.959 2.128 ( -4.597 1.495 1.107) 4.959 2.234 ( 0.534 -1.591 1.205) 2.066 2.234 ( 0.534 1.591 1.205) 2.066 2.532 ( 1.438 -4.079 1.673) 4.637 2.532 ( 1.438 4.079 1.673) 4.637 2.829 ( 1.750 -1.611 -4.047) 4.695 2.829 ( 1.750 1.611 -4.047) 4.695 3.677 ( 1.304 -0.873 -6.566) 6.751 3.677 ( 1.304 0.873 -6.566) 6.751 4.057 ( -0.622 -0.837 2.020) 2.273 4.057 ( -0.622 0.837 2.020) 2.273 4.132 ( -0.250 -0.263 0.462) 0.587 4.132 ( -0.250 0.263 0.462) 0.587 4.351 ( -3.015 -0.471 9.143) 9.639 4.351 ( -3.015 0.471 9.143) 9.639 4.464 ( -1.968 -0.893 5.119) 5.557 4.464 ( -1.968 0.893 5.119) 5.557 5.292 ( 0.124 -0.431 -0.331) 0.557 5.292 ( 0.124 0.431 -0.331) 0.557 5.691 ( 0.710 -0.655 -2.535) 2.713 5.691 ( 0.710 0.655 -2.535) 2.713 6.637 ( 0.295 -0.586 -1.283) 1.441 6.637 ( 0.295 0.586 -1.283) 1.441 6.699 ( 0.820 -0.212 -2.992) 3.110 6.699 ( 0.820 0.212 -2.992) 3.110 7.746 ( -0.735 -0.325 2.096) 2.245 7.746 ( -0.735 0.325 2.096) 2.245 7.986 ( 0.540 -0.275 -2.229) 2.310 7.986 ( 0.540 0.275 -2.229) 2.310 16.607 ( -0.518 -0.798 1.708) 1.955 16.607 ( -0.518 0.798 1.708) 1.955 16.701 ( -2.600 -0.384 7.304) 7.762 16.701 ( -2.600 0.384 7.304) 7.762 17.563 ( -1.797 -0.819 10.228) 10.417 17.563 ( -1.797 0.819 10.228) 10.417 18.229 ( -0.756 -2.145 4.734) 5.252 18.229 ( -0.756 2.145 4.734) 5.252 19.396 ( -0.796 -2.303 1.831) 3.048 19.396 ( -0.796 2.303 1.831) 3.048 19.652 ( 0.664 -2.339 -4.538) 5.148 19.652 ( 0.664 2.339 -4.538) 5.148 ======================= Grid point 90 (51/87) ======================= q-point: (-0.57 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -1.670 -2.889 0.307) 3.351 0.814 ( -1.670 2.889 0.307) 3.351 0.949 ( -1.277 -1.618 -6.671) 6.982 0.949 ( -1.277 1.618 -6.671) 6.982 1.150 ( -1.178 -2.905 5.592) 6.411 1.150 ( -1.178 2.905 5.592) 6.411 1.309 ( -2.398 -0.487 1.625) 2.937 1.309 ( -2.398 0.487 1.625) 2.937 1.427 ( 2.394 -2.832 2.201) 4.312 1.427 ( 2.394 2.832 2.201) 4.312 1.527 ( 0.012 -1.568 6.387) 6.577 1.527 ( 0.012 1.568 6.387) 6.577 1.718 ( -1.801 -1.646 1.960) 3.130 1.718 ( -1.801 1.646 1.960) 3.130 1.884 ( -1.926 -0.226 4.040) 4.481 1.884 ( -1.926 0.226 4.040) 4.481 2.012 ( 1.162 -1.514 -2.282) 2.975 2.012 ( 1.162 1.514 -2.282) 2.975 2.055 ( -2.232 -3.540 2.582) 4.918 2.055 ( -2.232 3.540 2.582) 4.918 2.249 ( -0.071 -1.745 1.804) 2.511 2.249 ( -0.071 1.745 1.804) 2.511 2.543 ( -1.256 -2.707 2.283) 3.758 2.543 ( -1.256 2.707 2.283) 3.758 2.850 ( 2.542 -2.427 -4.773) 5.927 2.850 ( 2.542 2.427 -4.773) 5.927 3.672 ( 1.679 -0.780 -6.343) 6.608 3.672 ( 1.679 0.780 -6.343) 6.608 4.057 ( -0.480 -0.869 2.138) 2.358 4.057 ( -0.480 0.869 2.138) 2.358 4.130 ( -0.138 -0.323 0.419) 0.546 4.130 ( -0.138 0.323 0.419) 0.546 4.344 ( -2.554 -0.123 8.940) 9.299 4.344 ( -2.554 0.123 8.940) 9.299 4.455 ( -1.638 -0.763 5.133) 5.442 4.455 ( -1.638 0.763 5.133) 5.442 5.297 ( 0.469 -0.743 -0.075) 0.881 5.297 ( 0.469 0.743 -0.075) 0.881 5.690 ( 0.527 -0.616 -2.600) 2.723 5.690 ( 0.527 0.616 -2.600) 2.723 6.638 ( 0.512 -0.582 -1.231) 1.455 6.638 ( 0.512 0.582 -1.231) 1.455 6.697 ( 0.636 -0.195 -3.060) 3.132 6.697 ( 0.636 0.195 -3.060) 3.132 7.744 ( -0.635 -0.336 2.106) 2.225 7.744 ( -0.635 0.336 2.106) 2.225 7.985 ( 0.598 -0.282 -2.236) 2.331 7.985 ( 0.598 0.282 -2.236) 2.331 16.599 ( -1.043 -0.381 1.236) 1.661 16.599 ( -1.043 0.381 1.236) 1.661 16.699 ( -1.505 -1.157 6.858) 7.116 16.699 ( -1.505 1.157 6.858) 7.116 17.595 ( -0.903 -0.986 11.277) 11.356 17.595 ( -0.903 0.986 11.277) 11.356 18.249 ( -0.251 -2.254 5.830) 6.256 18.249 ( -0.251 2.254 5.830) 6.256 19.390 ( -0.776 -2.120 1.616) 2.776 19.390 ( -0.776 2.120 1.616) 2.776 19.634 ( 0.332 -1.885 -5.488) 5.813 19.634 ( 0.332 1.885 -5.488) 5.813 ======================= Grid point 92 (52/87) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -1.125 -6.192 -0.823) 6.347 0.779 ( -1.125 6.192 -0.823) 6.347 0.870 ( -3.030 -3.033 -5.159) 6.708 0.870 ( -3.030 3.033 -5.159) 6.708 1.124 ( -4.784 -0.470 6.715) 8.258 1.124 ( -4.784 0.470 6.715) 8.258 1.316 ( 2.132 -2.937 0.418) 3.653 1.316 ( 2.132 2.937 0.418) 3.653 1.470 ( 0.197 -1.072 2.861) 3.062 1.470 ( 0.197 1.072 2.861) 3.062 1.575 ( 1.001 -0.542 5.896) 6.005 1.575 ( 1.001 0.542 5.896) 6.005 1.682 ( -2.313 -0.372 2.478) 3.411 1.682 ( -2.313 0.372 2.478) 3.411 1.846 ( -3.274 -1.891 3.012) 4.834 1.846 ( -3.274 1.891 3.012) 4.834 2.000 ( 0.015 -0.312 -2.139) 2.162 2.000 ( 0.015 0.312 -2.139) 2.162 2.096 ( 3.255 -5.550 2.829) 7.029 2.096 ( 3.255 5.550 2.829) 7.029 2.245 ( -1.191 -2.452 1.765) 3.248 2.245 ( -1.191 2.452 1.765) 3.248 2.513 ( -2.865 -2.143 1.939) 4.069 2.513 ( -2.865 2.143 1.939) 4.069 2.870 ( 1.963 -2.753 -4.643) 5.744 2.870 ( 1.963 2.753 -4.643) 5.744 3.676 ( 2.149 -0.630 -6.169) 6.563 3.676 ( 2.149 0.630 -6.169) 6.563 4.060 ( -0.442 -0.823 2.249) 2.435 4.060 ( -0.442 0.823 2.249) 2.435 4.131 ( 0.096 -0.467 0.312) 0.570 4.131 ( 0.096 0.467 0.312) 0.570 4.346 ( -2.093 -0.285 8.947) 9.193 4.346 ( -2.093 0.285 8.947) 9.193 4.455 ( -1.060 -0.481 4.964) 5.099 4.455 ( -1.060 0.481 4.964) 5.099 5.307 ( 0.555 -0.975 -0.074) 1.125 5.307 ( 0.555 0.975 -0.074) 1.125 5.685 ( 0.492 -0.602 -2.734) 2.842 5.685 ( 0.492 0.602 -2.734) 2.842 6.643 ( 0.558 -0.611 -1.168) 1.432 6.643 ( 0.558 0.611 -1.168) 1.432 6.692 ( 0.608 -0.217 -3.140) 3.205 6.692 ( 0.608 0.217 -3.140) 3.205 7.744 ( -0.486 -0.365 2.127) 2.212 7.744 ( -0.486 0.365 2.127) 2.212 7.986 ( 0.671 -0.251 -2.266) 2.377 7.986 ( 0.671 0.251 -2.266) 2.377 16.583 ( -1.082 -0.222 1.126) 1.578 16.583 ( -1.082 0.222 1.126) 1.578 16.716 ( -0.456 -2.594 6.708) 7.207 16.716 ( -0.456 2.594 6.708) 7.207 17.638 ( -1.266 -2.135 11.601) 11.863 17.638 ( -1.266 2.135 11.601) 11.863 18.275 ( -0.398 -2.037 5.729) 6.094 18.275 ( -0.398 2.037 5.729) 6.094 19.384 ( -0.682 -1.547 1.688) 2.389 19.384 ( -0.682 1.547 1.688) 2.389 19.612 ( 0.632 -1.132 -5.754) 5.898 19.612 ( 0.632 1.132 -5.754) 5.898 ======================= Grid point 94 (53/87) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.766 -5.898 -2.594) 6.681 0.745 ( -1.766 5.898 -2.594) 6.681 0.820 ( -0.710 -2.062 1.951) 2.927 0.820 ( -0.710 2.062 1.951) 2.927 1.057 ( -4.575 -1.565 5.333) 7.199 1.057 ( -4.575 1.565 5.333) 7.199 1.342 ( -0.705 -2.117 1.521) 2.700 1.342 ( -0.705 2.117 1.521) 2.700 1.490 ( 1.148 -2.710 2.109) 3.620 1.490 ( 1.148 2.710 2.109) 3.620 1.593 ( -2.035 -3.058 4.690) 5.958 1.593 ( -2.035 3.058 4.690) 5.958 1.689 ( 0.904 -1.429 4.973) 5.253 1.689 ( 0.904 1.429 4.973) 5.253 1.816 ( -1.079 -0.721 1.426) 1.928 1.816 ( -1.079 0.721 1.426) 1.928 1.986 ( -0.303 -0.452 -1.982) 2.056 1.986 ( -0.303 0.452 -1.982) 2.056 2.180 ( 3.115 -4.848 2.327) 6.215 2.180 ( 3.115 4.848 2.327) 6.215 2.231 ( -0.491 -3.948 1.263) 4.174 2.231 ( -0.491 3.948 1.263) 4.174 2.456 ( -3.712 -2.722 1.680) 4.901 2.456 ( -3.712 2.722 1.680) 4.901 2.876 ( 1.042 -2.704 -4.165) 5.074 2.876 ( 1.042 2.704 -4.165) 5.074 3.688 ( 2.362 -0.435 -6.230) 6.677 3.688 ( 2.362 0.435 -6.230) 6.677 4.063 ( -0.515 -0.565 2.194) 2.323 4.063 ( -0.515 0.565 2.194) 2.323 4.136 ( 0.222 -0.527 0.265) 0.630 4.136 ( 0.222 0.527 0.265) 0.630 4.354 ( -2.099 -0.381 9.239) 9.482 4.354 ( -2.099 0.381 9.239) 9.482 4.465 ( -0.668 -0.348 4.727) 4.787 4.465 ( -0.668 0.348 4.727) 4.787 5.315 ( 0.279 -1.068 -0.363) 1.162 5.315 ( 0.279 1.068 -0.363) 1.162 5.681 ( 0.610 -0.548 -2.826) 2.942 5.681 ( 0.610 0.548 -2.826) 2.942 6.647 ( 0.448 -0.573 -1.153) 1.363 6.647 ( 0.448 0.573 -1.153) 1.363 6.689 ( 0.745 -0.254 -3.152) 3.249 6.689 ( 0.745 0.254 -3.152) 3.249 7.747 ( -0.408 -0.396 2.141) 2.216 7.747 ( -0.408 0.396 2.141) 2.216 7.987 ( 0.701 -0.200 -2.303) 2.415 7.987 ( 0.701 0.200 -2.303) 2.415 16.572 ( -0.767 -0.531 1.507) 1.773 16.572 ( -0.767 0.531 1.507) 1.773 16.749 ( -0.014 -4.165 6.525) 7.740 16.749 ( -0.014 4.165 6.525) 7.740 17.659 ( -2.880 -3.476 10.868) 11.769 17.659 ( -2.880 3.476 10.868) 11.769 18.290 ( -0.941 -1.505 4.410) 4.754 18.290 ( -0.941 1.505 4.410) 4.754 19.381 ( -0.600 -0.655 2.105) 2.285 19.381 ( -0.600 0.655 2.105) 2.285 19.603 ( 1.409 -0.811 -5.077) 5.331 19.603 ( 1.409 0.811 -5.077) 5.331 ======================= Grid point 96 (54/87) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.547 -4.803 0.112) 4.835 0.721 ( 0.547 4.803 0.112) 4.835 0.813 ( -2.732 -1.657 5.896) 6.706 0.813 ( -2.732 1.657 5.896) 6.706 1.026 ( -0.845 -2.215 3.456) 4.191 1.026 ( -0.845 2.215 3.456) 4.191 1.344 ( 0.392 -3.065 4.459) 5.424 1.344 ( 0.392 3.065 4.459) 5.424 1.509 ( -0.375 -4.324 -0.083) 4.341 1.509 ( -0.375 4.324 -0.083) 4.341 1.582 ( -1.735 -4.072 5.794) 7.291 1.582 ( -1.735 4.072 5.794) 7.291 1.728 ( -0.287 -2.903 2.247) 3.682 1.728 ( -0.287 2.903 2.247) 3.682 1.809 ( 0.023 -0.344 2.360) 2.385 1.809 ( 0.023 0.344 2.360) 2.385 1.975 ( 0.199 -0.733 -1.639) 1.806 1.975 ( 0.199 0.733 -1.639) 1.806 2.207 ( -0.187 -2.662 1.960) 3.311 2.207 ( -0.187 2.662 1.960) 3.311 2.269 ( 2.123 -3.648 0.927) 4.321 2.269 ( 2.123 3.648 0.927) 4.321 2.397 ( -2.570 -3.920 1.243) 4.849 2.397 ( -2.570 3.920 1.243) 4.849 2.867 ( 0.217 -2.123 -3.765) 4.328 2.867 ( 0.217 2.123 -3.765) 4.328 3.699 ( 2.058 -0.221 -6.515) 6.836 3.699 ( 2.058 0.221 -6.515) 6.836 4.063 ( -0.590 -0.418 2.083) 2.205 4.063 ( -0.590 0.418 2.083) 2.205 4.141 ( 0.005 -0.457 0.240) 0.516 4.141 ( 0.005 0.457 0.240) 0.516 4.361 ( -2.334 -0.352 9.656) 9.941 4.361 ( -2.334 0.352 9.656) 9.941 4.476 ( -0.796 -0.535 4.646) 4.743 4.476 ( -0.796 0.535 4.646) 4.743 5.313 ( -0.122 -0.980 -0.690) 1.204 5.313 ( -0.122 0.980 -0.690) 1.204 5.680 ( 0.820 -0.510 -2.782) 2.945 5.680 ( 0.820 0.510 -2.782) 2.945 6.648 ( 0.276 -0.511 -1.143) 1.282 6.648 ( 0.276 0.511 -1.143) 1.282 6.688 ( 0.944 -0.255 -3.157) 3.305 6.688 ( 0.944 0.255 -3.157) 3.305 7.750 ( -0.458 -0.397 2.146) 2.230 7.750 ( -0.458 0.397 2.146) 2.230 7.988 ( 0.664 -0.165 -2.315) 2.415 7.988 ( 0.664 0.165 -2.315) 2.415 16.571 ( -0.249 -0.830 2.067) 2.242 16.571 ( -0.249 0.830 2.067) 2.242 16.772 ( -1.331 -5.019 6.341) 8.195 16.772 ( -1.331 5.019 6.341) 8.195 17.638 ( -4.610 -3.939 9.652) 11.399 17.638 ( -4.610 3.939 9.652) 11.399 18.283 ( -1.694 -1.036 2.762) 3.402 18.283 ( -1.694 1.036 2.762) 3.402 19.384 ( -0.356 -0.736 2.647) 2.771 19.384 ( -0.356 0.736 2.647) 2.771 19.614 ( 2.076 -1.398 -3.951) 4.676 19.614 ( 2.076 1.398 -3.951) 4.676 ======================= Grid point 105 (55/87) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 5.231 0.000 5.821) 7.826 0.791 ( -2.993 0.000 6.173) 6.860 1.001 ( 0.572 0.000 0.038) 0.573 1.021 ( -0.923 0.000 5.248) 5.329 1.049 ( 0.005 0.000 0.217) 0.217 1.198 ( -0.811 0.000 -4.688) 4.758 1.281 ( 2.138 0.000 7.322) 7.628 1.443 ( 1.313 0.000 2.110) 2.485 1.450 ( -0.897 0.000 0.435) 0.997 1.498 ( -0.802 0.000 -2.558) 2.680 1.581 ( -4.433 0.000 4.178) 6.092 1.605 ( 0.764 0.000 -1.052) 1.300 1.685 ( 1.360 0.000 -1.259) 1.853 1.782 ( -6.475 0.000 -0.209) 6.478 1.798 ( 1.037 0.000 -1.506) 1.828 1.882 ( 6.106 0.000 -6.088) 8.622 2.045 ( 3.882 0.000 2.406) 4.567 2.095 ( 2.374 0.000 4.303) 4.914 2.160 ( 0.870 0.000 0.546) 1.027 2.208 ( -2.229 0.000 1.623) 2.758 2.239 ( -0.035 0.000 2.016) 2.016 2.322 ( -4.927 0.000 1.211) 5.073 2.358 ( -1.177 0.000 -4.930) 5.068 2.460 ( 3.152 0.000 -4.109) 5.179 2.912 ( -2.486 0.000 12.805) 13.044 2.976 ( -4.432 0.000 11.087) 11.940 3.480 ( 2.467 0.000 -11.345) 11.610 3.533 ( 2.778 0.000 -10.236) 10.606 4.097 ( -0.748 0.000 1.803) 1.952 4.126 ( 0.006 0.000 1.675) 1.675 4.127 ( -0.096 0.000 0.166) 0.192 4.153 ( -0.551 0.000 0.489) 0.736 4.548 ( -2.387 0.000 7.216) 7.601 4.552 ( -1.757 0.000 6.167) 6.413 4.554 ( -1.062 0.000 4.008) 4.146 4.589 ( -0.562 0.000 3.604) 3.648 5.308 ( -0.778 0.000 3.269) 3.360 5.340 ( -1.751 0.000 3.007) 3.480 5.578 ( 1.862 0.000 -6.047) 6.327 5.604 ( 2.286 0.000 -6.248) 6.653 6.609 ( -0.191 0.000 -0.872) 0.893 6.629 ( 1.107 0.000 -2.163) 2.430 6.635 ( 0.106 0.000 -1.082) 1.087 6.639 ( 0.618 0.000 -1.841) 1.942 7.795 ( -0.780 0.000 2.878) 2.982 7.814 ( -0.849 0.000 2.829) 2.954 7.926 ( 0.783 0.000 -3.017) 3.117 7.939 ( 0.839 0.000 -2.824) 2.946 16.631 ( -0.726 0.000 4.483) 4.541 16.682 ( -0.223 0.000 4.725) 4.730 16.764 ( 0.046 0.000 0.900) 0.901 16.881 ( -1.250 0.000 -2.590) 2.876 17.750 ( -3.637 0.000 12.249) 12.778 17.905 ( -6.634 0.000 10.643) 12.541 18.187 ( -0.400 0.000 -5.047) 5.063 18.279 ( 1.193 0.000 -3.702) 3.890 19.406 ( -0.892 0.000 2.236) 2.407 19.493 ( 1.036 0.000 -2.879) 3.059 19.538 ( -0.036 0.000 4.009) 4.010 19.637 ( 1.746 0.000 -1.607) 2.373 ======================= Grid point 106 (56/87) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -1.539 0.000 -0.109) 1.543 0.846 ( 1.763 0.000 6.244) 6.488 0.995 ( -1.027 0.000 -0.396) 1.101 1.045 ( 0.021 0.000 -0.931) 0.931 1.068 ( 2.800 0.000 5.326) 6.017 1.177 ( 1.165 0.000 -3.945) 4.113 1.367 ( 2.370 0.000 5.897) 6.355 1.432 ( -1.619 0.000 3.116) 3.511 1.445 ( -1.236 0.000 -0.544) 1.350 1.478 ( -6.051 0.000 0.201) 6.054 1.490 ( 1.440 0.000 -0.834) 1.664 1.644 ( -7.213 0.000 -0.260) 7.217 1.655 ( 3.444 0.000 0.526) 3.484 1.738 ( 3.956 0.000 -0.377) 3.974 1.808 ( 0.573 0.000 -1.230) 1.357 1.947 ( 3.364 0.000 -5.943) 6.829 2.049 ( -5.475 0.000 3.083) 6.283 2.121 ( -0.132 0.000 3.368) 3.370 2.143 ( -2.628 0.000 -1.017) 2.818 2.220 ( -1.363 0.000 -0.383) 1.416 2.237 ( -0.633 0.000 -0.117) 0.643 2.281 ( 3.822 0.000 2.882) 4.787 2.337 ( 0.948 0.000 -1.938) 2.157 2.532 ( 5.586 0.000 -4.301) 7.050 2.918 ( -3.640 0.000 11.732) 12.284 2.952 ( -4.532 0.000 13.654) 14.387 3.471 ( 2.658 0.000 -10.891) 11.211 3.528 ( 2.405 0.000 -10.514) 10.786 4.093 ( -0.647 0.000 1.834) 1.945 4.126 ( -0.173 0.000 0.432) 0.466 4.134 ( -0.134 0.000 1.688) 1.694 4.143 ( -0.655 0.000 0.401) 0.768 4.535 ( -2.694 0.000 6.790) 7.305 4.544 ( -2.306 0.000 6.139) 6.558 4.550 ( -1.564 0.000 4.171) 4.455 4.590 ( -1.283 0.000 3.663) 3.881 5.311 ( -0.803 0.000 3.169) 3.269 5.325 ( -1.196 0.000 3.154) 3.373 5.583 ( 1.856 0.000 -6.017) 6.296 5.614 ( 2.059 0.000 -6.051) 6.392 6.602 ( -0.017 0.000 -0.898) 0.898 6.630 ( 0.068 0.000 -1.094) 1.096 6.639 ( 0.960 0.000 -2.301) 2.493 6.640 ( 0.532 0.000 -1.696) 1.777 7.794 ( -0.905 0.000 2.872) 3.012 7.811 ( -0.943 0.000 2.833) 2.986 7.925 ( 0.706 0.000 -2.985) 3.068 7.940 ( 0.771 0.000 -2.818) 2.922 16.640 ( -0.760 0.000 3.997) 4.069 16.696 ( -1.008 0.000 4.627) 4.736 16.767 ( 0.012 0.000 0.570) 0.570 16.832 ( -2.457 0.000 -1.282) 2.771 17.764 ( -1.975 0.000 13.396) 13.541 17.851 ( -4.899 0.000 12.505) 13.430 18.170 ( 1.170 0.000 -4.051) 4.216 18.297 ( 2.213 0.000 -2.234) 3.144 19.398 ( -1.112 0.000 2.267) 2.525 19.494 ( 0.700 0.000 -3.048) 3.128 19.542 ( -1.426 0.000 2.901) 3.233 19.645 ( 0.175 0.000 -2.763) 2.769 ======================= Grid point 107 (57/87) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.130 0.000 -5.764) 5.766 0.857 ( -3.678 0.000 4.261) 5.629 0.963 ( -1.568 0.000 -0.701) 1.717 1.033 ( -1.090 0.000 -1.379) 1.758 1.156 ( 1.980 0.000 4.654) 5.057 1.206 ( 3.653 0.000 -2.626) 4.499 1.356 ( -4.804 0.000 4.972) 6.913 1.426 ( -0.402 0.000 2.403) 2.436 1.426 ( 0.076 0.000 -0.128) 0.149 1.445 ( -0.076 0.000 1.651) 1.653 1.523 ( -3.525 0.000 2.603) 4.382 1.537 ( 3.540 0.000 -1.476) 3.835 1.704 ( 0.865 0.000 -0.662) 1.089 1.816 ( 1.199 0.000 -0.705) 1.391 1.816 ( 3.516 0.000 -0.526) 3.556 1.941 ( -0.209 0.000 -6.900) 6.903 1.947 ( -5.729 0.000 2.889) 6.417 2.059 ( -4.565 0.000 -2.171) 5.055 2.090 ( -3.290 0.000 3.257) 4.629 2.201 ( -0.533 0.000 -0.012) 0.533 2.268 ( 2.887 0.000 0.723) 2.976 2.361 ( 1.823 0.000 -0.590) 1.916 2.378 ( 3.712 0.000 1.794) 4.123 2.606 ( 3.802 0.000 -4.444) 5.849 2.901 ( -4.763 0.000 13.713) 14.517 2.944 ( -3.487 0.000 12.715) 13.184 3.470 ( 3.015 0.000 -10.374) 10.803 3.517 ( 2.329 0.000 -10.723) 10.973 4.091 ( -0.579 0.000 1.803) 1.893 4.124 ( -0.418 0.000 0.693) 0.809 4.135 ( -0.159 0.000 0.356) 0.390 4.138 ( -0.372 0.000 1.584) 1.627 4.518 ( -2.459 0.000 6.293) 6.756 4.531 ( -2.238 0.000 6.308) 6.693 4.539 ( -1.705 0.000 4.230) 4.560 4.579 ( -1.790 0.000 3.584) 4.006 5.307 ( -1.091 0.000 3.232) 3.411 5.331 ( -0.156 0.000 3.266) 3.269 5.585 ( 1.625 0.000 -6.059) 6.273 5.619 ( 1.611 0.000 -5.899) 6.115 6.600 ( 0.311 0.000 -0.877) 0.930 6.627 ( 0.231 0.000 -1.083) 1.107 6.637 ( 0.336 0.000 -2.075) 2.102 6.645 ( 0.653 0.000 -1.999) 2.103 7.791 ( -0.937 0.000 2.889) 3.037 7.808 ( -0.918 0.000 2.866) 3.009 7.922 ( 0.711 0.000 -2.987) 3.070 7.940 ( 0.712 0.000 -2.851) 2.939 16.641 ( -1.073 0.000 3.329) 3.497 16.690 ( -1.950 0.000 4.191) 4.623 16.770 ( -0.504 0.000 0.236) 0.556 16.783 ( -1.267 0.000 -0.324) 1.308 17.805 ( -1.845 0.000 13.902) 14.024 17.852 ( -1.906 0.000 14.269) 14.395 18.188 ( 2.435 0.000 -2.923) 3.805 18.336 ( 2.439 0.000 -1.056) 2.658 19.390 ( -0.925 0.000 2.355) 2.530 19.490 ( 0.616 0.000 -3.173) 3.233 19.517 ( -2.213 0.000 1.768) 2.832 19.617 ( -1.117 0.000 -4.013) 4.166 ======================= Grid point 108 (58/87) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 2.002 0.000 -5.549) 5.899 0.755 ( -7.292 0.000 1.375) 7.421 0.933 ( -0.906 0.000 -1.324) 1.605 0.992 ( -1.675 0.000 -1.807) 2.464 1.178 ( -1.538 0.000 4.581) 4.833 1.276 ( 3.753 0.000 -1.229) 3.949 1.306 ( -3.588 0.000 4.834) 6.020 1.357 ( -4.976 0.000 4.355) 6.613 1.457 ( 3.630 0.000 -1.794) 4.049 1.511 ( 4.217 0.000 2.548) 4.927 1.547 ( 1.796 0.000 5.279) 5.576 1.587 ( 1.745 0.000 -1.927) 2.600 1.680 ( -2.400 0.000 -1.003) 2.601 1.818 ( -3.263 0.000 0.982) 3.408 1.832 ( -0.155 0.000 -3.780) 3.783 1.904 ( 1.640 0.000 -5.109) 5.366 1.906 ( 0.568 0.000 0.574) 0.808 1.955 ( -4.539 0.000 -1.932) 4.933 2.056 ( -1.934 0.000 3.318) 3.841 2.188 ( -1.219 0.000 1.026) 1.594 2.331 ( 2.812 0.000 0.898) 2.952 2.396 ( 1.927 0.000 -0.490) 1.988 2.436 ( 1.336 0.000 1.365) 1.910 2.624 ( 0.365 0.000 -4.046) 4.062 2.880 ( -5.195 0.000 15.510) 16.357 2.953 ( -1.867 0.000 10.515) 10.680 3.478 ( 3.252 0.000 -9.974) 10.491 3.508 ( 2.652 0.000 -10.913) 11.231 4.090 ( -0.425 0.000 1.778) 1.828 4.119 ( -0.310 0.000 0.525) 0.610 4.136 ( -0.643 0.000 1.453) 1.589 4.140 ( 0.258 0.000 0.597) 0.650 4.509 ( -1.808 0.000 6.232) 6.489 4.526 ( -1.681 0.000 6.266) 6.488 4.532 ( -1.242 0.000 4.158) 4.339 4.561 ( -1.786 0.000 3.419) 3.858 5.306 ( -0.796 0.000 3.364) 3.457 5.348 ( -0.008 0.000 3.265) 3.265 5.582 ( 1.358 0.000 -6.135) 6.284 5.615 ( 1.267 0.000 -5.914) 6.048 6.604 ( 0.479 0.000 -0.821) 0.950 6.629 ( 0.546 0.000 -1.059) 1.192 6.631 ( 0.189 0.000 -2.190) 2.198 6.644 ( 0.374 0.000 -1.997) 2.032 7.789 ( -0.853 0.000 2.911) 3.033 7.807 ( -0.788 0.000 2.910) 3.015 7.921 ( 0.796 0.000 -3.015) 3.118 7.938 ( 0.707 0.000 -2.902) 2.987 16.635 ( -1.117 0.000 2.944) 3.149 16.668 ( -2.366 0.000 3.880) 4.544 16.742 ( -1.385 0.000 0.494) 1.471 16.793 ( 1.441 0.000 -0.483) 1.520 17.829 ( -2.922 0.000 13.439) 13.753 17.920 ( 0.134 0.000 15.071) 15.071 18.226 ( 2.555 0.000 -2.497) 3.573 18.370 ( 1.381 0.000 -1.158) 1.803 19.391 ( -0.222 0.000 2.709) 2.718 19.479 ( -2.222 0.000 0.988) 2.431 19.489 ( 1.020 0.000 -2.927) 3.100 19.567 ( -1.364 0.000 -4.657) 4.853 ======================= Grid point 109 (59/87) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -5.679 0.000 0.237) 5.683 0.750 ( 2.282 0.000 0.158) 2.287 0.918 ( 0.131 0.000 -0.723) 0.735 0.964 ( 0.086 0.000 -1.897) 1.899 1.145 ( -4.168 0.000 3.782) 5.628 1.292 ( 0.228 0.000 4.451) 4.457 1.300 ( -4.504 0.000 8.188) 9.345 1.319 ( 0.859 0.000 -0.754) 1.143 1.539 ( 5.319 0.000 -3.998) 6.654 1.570 ( -3.471 0.000 0.023) 3.471 1.587 ( 1.608 0.000 4.793) 5.056 1.622 ( -0.471 0.000 -3.763) 3.793 1.629 ( 2.919 0.000 3.936) 4.901 1.766 ( -3.080 0.000 -5.291) 6.123 1.781 ( 0.007 0.000 1.280) 1.280 1.876 ( -2.475 0.000 -1.043) 2.685 1.910 ( -0.228 0.000 -0.841) 0.871 1.952 ( 4.207 0.000 -3.015) 5.176 2.041 ( -1.627 0.000 3.055) 3.461 2.170 ( -1.056 0.000 1.469) 1.809 2.373 ( 0.662 0.000 0.227) 0.700 2.430 ( 1.846 0.000 -0.925) 2.065 2.450 ( -0.611 0.000 2.297) 2.377 2.584 ( -2.091 0.000 -3.862) 4.392 2.865 ( -4.779 0.000 15.881) 16.585 2.977 ( -1.171 0.000 9.212) 9.286 3.489 ( 3.174 0.000 -9.960) 10.453 3.508 ( 3.232 0.000 -10.949) 11.416 4.094 ( -0.165 0.000 1.770) 1.777 4.119 ( 0.059 0.000 0.322) 0.327 4.129 ( -0.854 0.000 1.368) 1.613 4.149 ( 0.287 0.000 0.660) 0.719 4.514 ( -1.161 0.000 6.534) 6.636 4.531 ( -1.195 0.000 6.217) 6.331 4.536 ( -0.521 0.000 4.002) 4.036 4.548 ( -1.258 0.000 3.283) 3.516 5.309 ( -0.778 0.000 3.410) 3.498 5.362 ( -0.339 0.000 3.156) 3.174 5.575 ( 1.384 0.000 -6.187) 6.340 5.606 ( 1.136 0.000 -6.104) 6.209 6.610 ( 0.529 0.000 -0.735) 0.906 6.623 ( 0.243 0.000 -2.225) 2.239 6.635 ( 0.583 0.000 -1.080) 1.227 6.639 ( 0.302 0.000 -2.018) 2.040 7.789 ( -0.720 0.000 2.922) 3.009 7.808 ( -0.646 0.000 2.925) 2.996 7.922 ( 0.902 0.000 -3.049) 3.180 7.937 ( 0.751 0.000 -2.934) 3.029 16.632 ( -0.782 0.000 3.092) 3.189 16.643 ( -2.111 0.000 3.964) 4.491 16.729 ( -0.293 0.000 0.934) 0.979 16.829 ( 2.569 0.000 -1.306) 2.882 17.832 ( -3.893 0.000 12.654) 13.239 17.995 ( -0.733 0.000 13.738) 13.757 18.254 ( 1.685 0.000 -2.962) 3.408 18.371 ( -0.356 0.000 -2.667) 2.691 19.412 ( 0.678 0.000 3.448) 3.514 19.444 ( -1.761 0.000 0.830) 1.946 19.497 ( 0.910 0.000 -2.777) 2.922 19.527 ( 0.367 0.000 -3.826) 3.843 ======================= Grid point 110 (60/87) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.596 0.000 1.255) 1.389 0.801 ( 0.642 0.000 6.118) 6.151 0.934 ( 1.292 0.000 1.121) 1.710 0.977 ( 1.884 0.000 -0.401) 1.927 1.081 ( -3.476 0.000 2.502) 4.283 1.250 ( -5.114 0.000 10.097) 11.319 1.297 ( -2.361 0.000 -0.659) 2.451 1.356 ( 3.408 0.000 2.896) 4.473 1.477 ( -4.500 0.000 -0.147) 4.502 1.570 ( 0.606 0.000 -4.863) 4.901 1.633 ( -0.356 0.000 6.347) 6.357 1.652 ( 1.055 0.000 -2.884) 3.071 1.672 ( 0.270 0.000 1.691) 1.712 1.700 ( 2.782 0.000 -6.237) 6.829 1.832 ( -1.738 0.000 -1.139) 2.078 1.838 ( 4.311 0.000 1.230) 4.483 1.904 ( 0.271 0.000 -0.252) 0.370 2.016 ( -2.442 0.000 2.511) 3.502 2.027 ( 4.675 0.000 -1.583) 4.936 2.169 ( 0.134 0.000 2.090) 2.094 2.350 ( -2.831 0.000 0.262) 2.843 2.443 ( -1.735 0.000 2.743) 3.246 2.453 ( 1.116 0.000 -2.223) 2.488 2.511 ( -2.922 0.000 -4.185) 5.104 2.865 ( -3.550 0.000 15.354) 15.759 2.998 ( -1.765 0.000 8.837) 9.011 3.494 ( 2.999 0.000 -10.807) 11.215 3.517 ( 3.406 0.000 -10.349) 10.895 4.101 ( -0.101 0.000 1.785) 1.788 4.119 ( -0.797 0.000 1.340) 1.559 4.123 ( 0.206 0.000 0.145) 0.252 4.156 ( 0.083 0.000 0.612) 0.617 4.530 ( -0.957 0.000 6.835) 6.901 4.542 ( -1.158 0.000 6.468) 6.571 4.544 ( -0.802 0.000 3.658) 3.745 4.555 ( 0.048 0.000 3.495) 3.496 5.310 ( -0.985 0.000 3.387) 3.528 5.366 ( -0.962 0.000 3.025) 3.174 5.572 ( 1.672 0.000 -6.182) 6.404 5.597 ( 1.336 0.000 -6.311) 6.451 6.615 ( 0.392 0.000 -0.706) 0.807 6.618 ( 0.523 0.000 -2.199) 2.261 6.636 ( 0.450 0.000 -1.995) 2.046 6.639 ( 0.348 0.000 -1.108) 1.161 7.791 ( -0.638 0.000 2.918) 2.987 7.812 ( -0.604 0.000 2.896) 2.958 7.924 ( 0.947 0.000 -3.068) 3.211 7.937 ( 0.812 0.000 -2.918) 3.029 16.627 ( -1.603 0.000 4.247) 4.539 16.641 ( -0.325 0.000 3.706) 3.720 16.737 ( 0.462 0.000 1.177) 1.264 16.873 ( 2.728 0.000 -2.437) 3.658 17.810 ( -4.928 0.000 11.814) 12.800 18.023 ( -3.355 0.000 11.098) 11.594 18.257 ( 0.484 0.000 -3.866) 3.896 18.333 ( -1.294 0.000 -4.433) 4.618 19.421 ( -1.195 0.000 1.414) 1.851 19.453 ( 1.329 0.000 4.229) 4.433 19.488 ( 0.486 0.000 -3.395) 3.429 19.551 ( 2.664 0.000 -1.628) 3.122 ======================= Grid point 111 (61/87) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 4.015 0.000 3.794) 5.524 0.816 ( -2.889 0.000 7.742) 8.263 0.972 ( 1.523 0.000 1.712) 2.291 1.026 ( 1.969 0.000 1.726) 2.618 1.038 ( -2.468 0.000 3.005) 3.889 1.229 ( -1.690 0.000 8.988) 9.146 1.244 ( -1.806 0.000 -2.453) 3.046 1.417 ( -1.111 0.000 1.111) 1.572 1.432 ( 2.594 0.000 1.091) 2.814 1.537 ( -1.270 0.000 -3.759) 3.968 1.621 ( -0.731 0.000 -2.467) 2.573 1.622 ( -3.227 0.000 5.291) 6.197 1.684 ( 0.036 0.000 0.636) 0.637 1.786 ( 6.968 0.000 -6.918) 9.819 1.799 ( -0.633 0.000 -1.300) 1.446 1.885 ( -2.631 0.000 -1.618) 3.089 1.945 ( 4.248 0.000 3.547) 5.534 2.010 ( 1.926 0.000 3.178) 3.716 2.112 ( 3.901 0.000 -0.307) 3.914 2.199 ( 1.540 0.000 3.045) 3.412 2.280 ( -4.395 0.000 1.079) 4.525 2.402 ( -3.748 0.000 2.019) 4.257 2.424 ( -2.260 0.000 -5.686) 6.119 2.455 ( -0.073 0.000 -2.675) 2.676 2.886 ( -2.442 0.000 14.145) 14.354 2.998 ( -3.130 0.000 9.282) 9.795 3.491 ( 2.675 0.000 -11.385) 11.695 3.528 ( 3.173 0.000 -10.079) 10.566 4.103 ( -0.747 0.000 1.786) 1.936 4.118 ( -0.063 0.000 1.481) 1.482 4.127 ( 0.085 0.000 0.073) 0.112 4.158 ( -0.247 0.000 0.550) 0.603 4.546 ( -1.244 0.000 6.848) 6.960 4.550 ( -0.704 0.000 3.783) 3.847 4.551 ( -1.625 0.000 6.781) 6.973 4.575 ( -0.006 0.000 3.519) 3.519 5.308 ( -1.014 0.000 3.351) 3.501 5.357 ( -1.535 0.000 2.969) 3.342 5.574 ( 1.815 0.000 -6.108) 6.372 5.595 ( 1.925 0.000 -6.380) 6.664 6.616 ( 0.037 0.000 -0.778) 0.779 6.621 ( 0.889 0.000 -2.180) 2.355 6.636 ( 0.618 0.000 -1.907) 2.005 6.638 ( 0.176 0.000 -1.097) 1.111 7.794 ( -0.662 0.000 2.900) 2.975 7.814 ( -0.698 0.000 2.853) 2.937 7.926 ( 0.891 0.000 -3.056) 3.184 7.938 ( 0.855 0.000 -2.866) 2.991 16.624 ( -1.104 0.000 4.544) 4.677 16.659 ( -0.033 0.000 4.332) 4.332 16.754 ( 0.431 0.000 1.137) 1.216 16.899 ( 1.119 0.000 -3.128) 3.322 17.773 ( -4.914 0.000 11.607) 12.604 17.982 ( -6.151 0.000 9.598) 11.400 18.230 ( -0.826 0.000 -4.915) 4.984 18.290 ( -0.161 0.000 -4.711) 4.714 19.411 ( -0.807 0.000 1.989) 2.146 19.487 ( 1.070 0.000 -2.981) 3.167 19.503 ( 1.128 0.000 4.588) 4.724 19.599 ( 2.742 0.000 -1.137) 2.968 ======================= Grid point 112 (62/87) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 4.008 2.164 5.542) 7.174 0.825 ( -2.625 3.065 5.434) 6.768 0.939 ( 0.912 -5.151 1.182) 5.363 0.970 ( 0.098 -2.853 2.048) 3.513 1.090 ( 0.054 1.869 3.649) 4.100 1.198 ( 1.156 -2.350 0.558) 2.677 1.279 ( -0.787 2.778 0.734) 2.980 1.441 ( -1.346 -2.153 -1.352) 2.877 1.462 ( 0.671 1.136 0.628) 1.461 1.496 ( -0.077 -0.357 -2.642) 2.667 1.583 ( -0.230 2.025 3.159) 3.760 1.639 ( -3.034 2.538 2.067) 4.463 1.674 ( 2.156 -1.061 -0.962) 2.588 1.758 ( -6.164 -2.060 0.642) 6.531 1.821 ( 1.350 1.874 -1.517) 2.763 1.887 ( 5.189 -0.089 -4.386) 6.795 2.030 ( 2.545 -0.845 2.981) 4.009 2.065 ( 1.706 -1.932 4.101) 4.844 2.200 ( -1.258 2.146 0.569) 2.552 2.214 ( 0.817 1.168 0.297) 1.456 2.241 ( -0.011 0.093 0.635) 0.642 2.302 ( -3.795 -1.713 0.494) 4.193 2.372 ( -0.918 1.280 -3.961) 4.263 2.445 ( 2.693 -1.438 -3.903) 4.955 2.917 ( -2.780 0.589 12.826) 13.137 2.963 ( -4.131 -1.179 11.642) 12.410 3.490 ( 2.497 0.909 -11.270) 11.579 3.527 ( 2.722 -0.542 -10.496) 10.857 4.097 ( -0.709 0.082 1.765) 1.904 4.114 ( -0.176 -0.656 1.318) 1.483 4.139 ( -0.174 0.617 0.647) 0.911 4.154 ( -0.371 0.009 0.443) 0.579 4.549 ( -2.209 0.010 7.041) 7.379 4.549 ( -1.577 -0.066 6.125) 6.325 4.562 ( -1.265 0.557 4.186) 4.408 4.585 ( -0.708 -0.388 3.669) 3.757 5.312 ( -0.948 0.415 3.239) 3.400 5.335 ( -1.630 -0.464 3.048) 3.487 5.582 ( 1.919 0.385 -6.073) 6.380 5.600 ( 2.219 -0.325 -6.215) 6.607 6.613 ( -0.129 0.317 -0.911) 0.973 6.628 ( 0.651 -0.209 -1.613) 1.752 6.633 ( 0.422 -0.002 -1.566) 1.622 6.638 ( 0.708 -0.082 -1.890) 2.020 7.798 ( -0.786 0.234 2.865) 2.980 7.811 ( -0.834 -0.291 2.828) 2.962 7.928 ( 0.787 0.208 -2.981) 3.090 7.938 ( 0.828 -0.158 -2.849) 2.971 16.639 ( -0.608 0.765 4.513) 4.617 16.675 ( -0.253 -0.637 4.686) 4.736 16.781 ( -0.213 1.595 0.514) 1.689 16.864 ( -1.129 -1.625 -1.952) 2.780 17.768 ( -4.002 1.731 12.224) 12.978 17.876 ( -6.081 -2.548 11.159) 12.961 18.204 ( -0.190 1.465 -4.905) 5.123 18.268 ( 0.961 -1.046 -3.997) 4.242 19.416 ( -0.738 0.963 2.176) 2.491 19.475 ( 0.357 -1.445 -0.013) 1.489 19.556 ( 0.601 1.508 1.062) 1.940 19.624 ( 1.592 -1.250 -1.480) 2.508 ======================= Grid point 113 (63/87) ======================= q-point: ( 0.14 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -1.598 3.159 0.430) 3.566 0.851 ( 2.039 0.847 4.898) 5.373 0.960 ( 0.300 -3.123 -0.387) 3.161 0.979 ( -0.117 -4.205 1.399) 4.433 1.129 ( 1.542 3.383 4.059) 5.504 1.187 ( 0.228 0.942 -3.151) 3.297 1.331 ( 2.670 -2.059 4.452) 5.584 1.401 ( -0.718 -3.760 -0.638) 3.881 1.462 ( -0.870 1.757 1.110) 2.253 1.483 ( -1.049 0.867 -0.990) 1.683 1.528 ( -3.781 2.698 1.467) 4.871 1.617 ( -5.686 -1.723 -0.357) 5.952 1.674 ( 1.517 1.198 0.561) 2.013 1.734 ( 3.427 -0.494 0.265) 3.472 1.841 ( 1.393 2.903 -1.541) 3.570 1.951 ( 3.127 -0.418 -4.166) 5.226 2.035 ( -4.405 -1.033 2.717) 5.278 2.069 ( -1.715 -2.589 3.544) 4.712 2.176 ( -2.014 1.438 -0.877) 2.626 2.210 ( -3.455 -0.492 -0.801) 3.581 2.240 ( 0.749 0.021 -0.118) 0.758 2.261 ( 1.984 -1.238 1.706) 2.895 2.384 ( 3.377 3.573 -1.860) 5.256 2.513 ( 5.442 -1.890 -4.111) 7.077 2.921 ( -3.716 0.339 12.287) 12.842 2.946 ( -4.339 -0.573 13.566) 14.255 3.481 ( 2.592 0.905 -10.925) 11.265 3.521 ( 2.418 -0.678 -10.657) 10.949 4.093 ( -0.681 0.074 1.750) 1.879 4.114 ( -0.442 -0.868 1.273) 1.603 4.139 ( -0.233 0.525 0.755) 0.949 4.150 ( -0.312 0.258 0.632) 0.750 4.536 ( -2.672 0.125 6.670) 7.186 4.543 ( -2.392 -0.112 6.231) 6.675 4.557 ( -1.483 0.615 4.134) 4.435 4.585 ( -1.296 -0.493 3.751) 3.999 5.312 ( -0.878 0.140 3.189) 3.310 5.322 ( -1.162 -0.250 3.171) 3.386 5.588 ( 1.889 0.468 -6.011) 6.319 5.610 ( 2.031 -0.405 -6.037) 6.382 6.605 ( -0.028 0.333 -0.959) 1.015 6.625 ( 0.021 -0.464 -1.177) 1.265 6.640 ( 0.941 0.082 -2.077) 2.282 6.641 ( 0.609 0.072 -1.796) 1.898 7.796 ( -0.908 0.218 2.860) 3.008 7.809 ( -0.933 -0.269 2.828) 2.990 7.927 ( 0.712 0.236 -2.952) 3.046 7.938 ( 0.759 -0.192 -2.838) 2.944 16.649 ( -0.835 0.835 4.061) 4.230 16.688 ( -1.003 -0.697 4.504) 4.667 16.777 ( -0.328 0.869 0.393) 1.008 16.822 ( -2.081 -0.893 -0.912) 2.441 17.774 ( -2.327 1.010 13.352) 13.591 17.835 ( -4.360 -1.396 12.729) 13.528 18.191 ( 1.286 1.896 -3.836) 4.468 18.280 ( 2.039 -1.589 -2.577) 3.650 19.410 ( -1.017 1.144 2.132) 2.624 19.477 ( -0.096 -1.511 -0.395) 1.565 19.559 ( -0.664 1.484 0.204) 1.639 19.630 ( 0.109 -1.375 -2.566) 2.913 ======================= Grid point 114 (64/87) ======================= q-point: ( 0.29 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.264 3.373 -4.566) 5.683 0.866 ( -3.177 0.940 3.059) 4.510 0.938 ( -1.651 -2.078 -0.478) 2.697 0.974 ( -0.784 -4.950 -1.590) 5.258 1.178 ( 0.530 1.552 3.752) 4.095 1.205 ( 3.101 0.207 -0.492) 3.146 1.389 ( -1.537 1.173 3.054) 3.615 1.396 ( -0.724 -0.901 2.436) 2.696 1.435 ( -0.358 -0.084 4.577) 4.592 1.467 ( 0.828 2.390 -1.098) 2.757 1.498 ( -3.748 -1.642 1.670) 4.419 1.542 ( 2.765 -0.282 -1.792) 3.307 1.699 ( 0.225 0.169 -0.900) 0.942 1.786 ( 1.125 -2.118 -1.042) 2.615 1.865 ( 2.060 3.525 -1.082) 4.224 1.950 ( -2.671 0.301 0.538) 2.741 1.957 ( -1.817 1.014 -2.429) 3.199 2.037 ( -2.677 -1.749 0.486) 3.235 2.102 ( -4.129 0.714 -0.103) 4.191 2.163 ( -0.651 -2.901 -1.092) 3.167 2.276 ( 1.789 0.511 1.717) 2.532 2.315 ( 1.990 -1.880 1.680) 3.212 2.452 ( 3.638 4.257 -1.064) 5.700 2.587 ( 3.875 -1.838 -4.100) 5.933 2.907 ( -4.577 0.584 13.665) 14.423 2.937 ( -3.701 -0.603 12.967) 13.499 3.477 ( 2.908 0.705 -10.506) 10.924 3.511 ( 2.421 -0.605 -10.747) 11.033 4.090 ( -0.538 0.030 1.708) 1.791 4.111 ( -0.499 -0.907 1.155) 1.551 4.139 ( -0.143 0.484 0.751) 0.905 4.147 ( -0.380 0.332 0.862) 0.999 4.518 ( -2.515 0.067 6.152) 6.646 4.528 ( -2.348 -0.269 6.215) 6.649 4.548 ( -1.635 0.714 4.303) 4.659 4.575 ( -1.711 -0.380 3.756) 4.145 5.309 ( -0.959 0.264 3.248) 3.396 5.326 ( -0.300 -0.403 3.266) 3.304 5.591 ( 1.631 0.510 -6.010) 6.249 5.614 ( 1.621 -0.416 -5.903) 6.136 6.603 ( 0.292 0.265 -0.957) 1.036 6.620 ( 0.229 -0.494 -1.218) 1.334 6.641 ( 0.398 0.229 -1.914) 1.969 6.645 ( 0.610 0.014 -1.957) 2.050 7.793 ( -0.933 0.214 2.879) 3.034 7.805 ( -0.918 -0.263 2.858) 3.014 7.925 ( 0.709 0.257 -2.958) 3.052 7.937 ( 0.711 -0.214 -2.866) 2.961 16.648 ( -1.268 0.611 3.370) 3.652 16.682 ( -1.931 -0.736 3.915) 4.427 16.774 ( -0.495 0.290 0.307) 0.651 16.783 ( -1.127 -0.060 -0.088) 1.133 17.811 ( -1.830 0.564 13.983) 14.113 17.844 ( -1.858 -0.716 14.242) 14.381 18.211 ( 2.401 2.112 -2.703) 4.187 18.315 ( 2.416 -1.939 -1.390) 3.395 19.402 ( -0.914 1.155 2.143) 2.600 19.469 ( -0.455 -1.608 -0.237) 1.688 19.536 ( -1.195 1.483 -1.189) 2.246 19.603 ( -1.049 -1.261 -3.746) 4.090 ======================= Grid point 115 (65/87) ======================= q-point: (-0.57 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.966 2.608 -4.759) 5.513 0.773 ( -6.198 1.717 0.924) 6.498 0.900 ( -1.738 -2.885 -0.886) 3.482 0.936 ( -1.572 -4.516 -1.944) 5.162 1.204 ( 0.182 2.107 4.136) 4.645 1.274 ( 3.373 -0.350 -0.159) 3.395 1.329 ( -4.489 1.573 4.690) 6.680 1.357 ( -4.643 0.011 4.586) 6.526 1.494 ( 3.089 0.995 -0.501) 3.284 1.499 ( 3.802 1.023 1.533) 4.225 1.513 ( 1.253 -1.572 2.668) 3.341 1.598 ( 3.272 -0.255 -0.923) 3.409 1.675 ( -1.802 -0.221 -1.084) 2.114 1.748 ( -3.429 -3.472 -1.382) 5.071 1.902 ( 0.785 0.976 -0.444) 1.329 1.907 ( -1.049 2.166 -4.346) 4.968 1.931 ( 1.127 2.669 -0.842) 3.017 1.968 ( -3.214 1.192 -1.412) 3.707 2.046 ( -2.240 -0.649 2.704) 3.571 2.159 ( 0.240 -3.154 -0.357) 3.183 2.317 ( 1.257 -0.695 2.251) 2.670 2.352 ( 0.973 -1.995 1.278) 2.561 2.501 ( 1.742 3.830 -0.664) 4.260 2.611 ( 0.587 -1.328 -3.545) 3.831 2.890 ( -4.722 0.959 14.714) 15.483 2.942 ( -2.368 -1.039 11.219) 11.513 3.483 ( 3.201 0.462 -10.171) 10.673 3.504 ( 2.769 -0.381 -10.831) 11.186 4.090 ( -0.357 0.077 1.689) 1.728 4.109 ( -0.257 -0.735 0.972) 1.245 4.140 ( -0.368 0.330 1.043) 1.154 4.144 ( -0.142 0.250 0.658) 0.718 4.507 ( -1.850 -0.035 6.030) 6.307 4.520 ( -1.755 -0.477 6.044) 6.311 4.541 ( -1.293 0.718 4.313) 4.560 4.561 ( -1.639 -0.101 3.706) 4.054 5.311 ( -0.672 0.505 3.339) 3.443 5.341 ( -0.114 -0.643 3.256) 3.321 5.587 ( 1.349 0.534 -6.060) 6.231 5.611 ( 1.285 -0.395 -5.916) 6.067 6.606 ( 0.491 0.215 -0.922) 1.067 6.621 ( 0.469 -0.462 -1.379) 1.528 6.638 ( 0.283 0.292 -1.812) 1.857 6.644 ( 0.345 -0.037 -1.959) 1.990 7.791 ( -0.843 0.223 2.905) 3.033 7.804 ( -0.797 -0.276 2.901) 3.021 7.924 ( 0.782 0.256 -2.990) 3.101 7.936 ( 0.721 -0.209 -2.915) 3.010 16.638 ( -1.318 0.261 2.976) 3.265 16.659 ( -2.214 -0.667 3.510) 4.204 16.754 ( -0.955 0.981 0.620) 1.503 16.788 ( 1.029 -0.486 -0.195) 1.155 17.841 ( -2.525 1.168 13.701) 13.981 17.906 ( -0.377 -1.335 14.853) 14.918 18.247 ( 2.374 2.018 -2.343) 3.898 18.350 ( 1.542 -1.953 -1.400) 2.856 19.401 ( -0.329 0.950 2.445) 2.644 19.457 ( -0.928 -1.428 0.754) 1.863 19.508 ( -0.309 1.200 -2.673) 2.946 19.557 ( -1.177 -0.883 -4.370) 4.611 ======================= Grid point 116 (66/87) ======================= q-point: (-0.43 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -4.569 3.346 -0.008) 5.664 0.766 ( 1.587 1.438 -0.024) 2.142 0.864 ( -1.185 -4.239 -0.378) 4.418 0.920 ( 0.986 -3.735 -0.532) 3.899 1.201 ( -4.017 4.107 3.345) 6.648 1.286 ( -1.781 0.216 6.195) 6.450 1.298 ( -3.432 -0.178 5.612) 6.581 1.330 ( 2.006 0.054 -1.060) 2.270 1.528 ( -0.442 -1.951 0.713) 2.123 1.566 ( 3.321 -0.121 -1.922) 3.839 1.568 ( 1.706 -0.102 1.792) 2.477 1.629 ( -1.113 1.366 -1.121) 2.088 1.661 ( 3.107 0.192 -0.007) 3.113 1.680 ( -2.046 -2.553 -0.755) 3.358 1.859 ( -2.142 1.810 -1.098) 3.012 1.879 ( -0.876 0.359 -1.719) 1.963 1.930 ( -0.890 1.712 -0.661) 2.040 1.975 ( 2.923 2.460 -2.142) 4.380 2.031 ( -0.613 -0.296 2.152) 2.257 2.163 ( 0.431 -1.292 -0.329) 1.401 2.348 ( 0.788 -2.418 1.895) 3.171 2.362 ( -0.705 -2.437 1.046) 2.744 2.514 ( -0.301 2.859 0.296) 2.890 2.578 ( -1.925 -0.578 -2.910) 3.537 2.880 ( -4.145 1.500 14.551) 15.204 2.960 ( -1.648 -1.600 9.932) 10.194 3.493 ( 3.252 0.361 -10.158) 10.672 3.506 ( 3.284 -0.167 -10.846) 11.333 4.094 ( -0.200 0.064 1.623) 1.636 4.111 ( -0.162 -0.625 0.910) 1.116 4.136 ( -0.454 0.524 0.925) 1.156 4.150 ( 0.166 -0.028 0.667) 0.688 4.511 ( -1.098 -0.132 6.141) 6.240 4.523 ( -1.169 -0.587 5.757) 5.903 4.545 ( -0.721 0.576 4.281) 4.379 4.553 ( -1.148 0.240 3.869) 4.043 5.316 ( -0.689 0.676 3.346) 3.482 5.354 ( -0.373 -0.781 3.151) 3.267 5.581 ( 1.334 0.515 -6.128) 6.292 5.603 ( 1.164 -0.352 -6.085) 6.205 6.611 ( 0.527 0.162 -0.902) 1.057 6.621 ( 0.374 -0.209 -1.886) 1.934 6.636 ( 0.446 0.081 -1.342) 1.417 6.639 ( 0.309 -0.031 -1.932) 1.957 7.791 ( -0.711 0.240 2.919) 3.014 7.805 ( -0.658 -0.299 2.918) 3.006 7.924 ( 0.880 0.233 -3.026) 3.160 7.935 ( 0.775 -0.180 -2.950) 3.055 16.632 ( -0.943 -0.051 3.138) 3.278 16.637 ( -1.824 -0.404 3.663) 4.112 16.748 ( 0.017 1.660 0.846) 1.863 16.817 ( 2.087 -1.131 -0.828) 2.514 17.853 ( -3.585 2.003 12.899) 13.537 17.968 ( -1.402 -2.480 13.679) 13.973 18.272 ( 1.447 1.645 -2.940) 3.667 18.354 ( -0.025 -1.567 -2.740) 3.157 19.416 ( 0.350 0.416 3.085) 3.133 19.439 ( -1.360 -0.478 1.245) 1.904 19.502 ( 0.804 0.404 -2.952) 3.086 19.523 ( 0.437 -0.423 -3.687) 3.736 ======================= Grid point 117 (67/87) ======================= q-point: (-0.29 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.331 4.552 1.346) 4.758 0.797 ( 0.242 -1.178 4.118) 4.290 0.877 ( 1.947 -2.865 2.255) 4.133 0.956 ( 2.070 -3.006 0.343) 3.666 1.112 ( -5.605 2.639 3.491) 7.111 1.238 ( -5.320 -1.761 8.004) 9.771 1.311 ( 0.180 2.011 0.963) 2.237 1.367 ( 2.412 0.471 1.097) 2.691 1.488 ( -3.260 0.796 -0.006) 3.356 1.562 ( -0.327 -0.137 -3.276) 3.295 1.586 ( -0.217 -3.017 0.922) 3.162 1.651 ( 1.195 -2.096 -2.897) 3.770 1.682 ( 2.465 2.030 1.055) 3.363 1.719 ( 2.846 1.671 -0.523) 3.341 1.826 ( -1.381 0.959 0.692) 1.819 1.879 ( 1.138 0.624 1.991) 2.377 1.913 ( 0.125 1.098 -1.789) 2.103 1.979 ( -1.539 -1.844 0.365) 2.429 2.071 ( 4.145 3.328 -1.323) 5.478 2.176 ( 1.055 0.267 0.212) 1.108 2.331 ( -2.651 -1.546 0.780) 3.166 2.368 ( 0.064 -4.090 1.010) 4.214 2.496 ( -1.748 1.415 0.677) 2.349 2.513 ( -2.937 0.166 -2.981) 4.188 2.884 ( -3.270 1.717 13.990) 14.469 2.976 ( -2.073 -1.952 9.574) 9.989 3.500 ( 3.123 0.495 -10.816) 11.269 3.516 ( 3.407 -0.145 -10.470) 11.011 4.099 ( -0.136 -0.095 1.565) 1.574 4.110 ( -0.470 -0.518 1.126) 1.326 4.135 ( -0.027 0.742 0.610) 0.961 4.156 ( 0.068 -0.131 0.607) 0.624 4.526 ( -0.808 -0.184 6.225) 6.280 4.533 ( -0.872 -0.482 5.695) 5.781 4.554 ( -0.810 0.506 4.401) 4.503 4.560 ( -0.372 0.264 4.122) 4.147 5.318 ( -0.954 0.750 3.307) 3.523 5.357 ( -0.931 -0.787 3.042) 3.277 5.577 ( 1.598 0.414 -6.172) 6.389 5.594 ( 1.366 -0.277 -6.272) 6.425 6.616 ( 0.427 0.059 -0.981) 1.071 6.618 ( 0.530 -0.022 -2.028) 2.097 6.636 ( 0.419 0.026 -1.829) 1.876 6.638 ( 0.340 -0.061 -1.178) 1.228 7.794 ( -0.633 0.253 2.913) 2.991 7.808 ( -0.609 -0.317 2.894) 2.975 7.926 ( 0.927 0.204 -3.041) 3.185 7.935 ( 0.833 -0.147 -2.941) 3.060 16.627 ( -1.298 0.016 4.089) 4.290 16.637 ( -0.435 -0.319 3.735) 3.774 16.761 ( 0.635 2.067 0.845) 2.321 16.856 ( 2.297 -1.699 -1.747) 3.349 17.836 ( -4.879 2.473 11.942) 13.135 17.985 ( -3.856 -3.443 11.517) 12.624 18.271 ( 0.334 1.176 -3.987) 4.170 18.323 ( -0.965 -0.920 -4.386) 4.584 19.423 ( -0.961 0.217 1.566) 1.850 19.443 ( 0.549 -0.710 2.919) 3.054 19.502 ( 1.213 1.102 -2.254) 2.787 19.544 ( 2.480 -0.666 -1.659) 3.057 ======================= Grid point 118 (68/87) ======================= q-point: (-0.14 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 3.095 4.036 4.016) 6.480 0.825 ( -0.316 -0.240 5.811) 5.824 0.925 ( 0.670 -2.748 2.364) 3.686 0.967 ( -1.712 -3.229 2.758) 4.579 1.071 ( 0.172 1.322 2.831) 3.129 1.184 ( -2.957 -3.363 5.439) 7.046 1.310 ( -0.828 4.775 0.076) 4.847 1.427 ( 2.400 -0.465 0.977) 2.633 1.442 ( -0.582 1.724 0.746) 1.966 1.528 ( -1.248 -1.186 -3.245) 3.674 1.582 ( -0.265 -0.913 -0.455) 1.054 1.653 ( 0.216 -1.786 -1.184) 2.153 1.692 ( -2.226 3.453 2.997) 5.086 1.794 ( 5.163 0.299 -3.663) 6.338 1.808 ( -0.008 0.971 -0.866) 1.301 1.875 ( -4.114 -1.552 1.154) 4.546 1.948 ( 3.886 0.404 1.637) 4.236 1.988 ( 2.755 -1.358 1.919) 3.622 2.152 ( 4.189 3.296 -1.165) 5.457 2.207 ( 1.472 0.641 1.707) 2.343 2.272 ( -3.578 -0.544 0.700) 3.686 2.356 ( -1.713 -3.604 0.197) 3.995 2.437 ( -2.896 0.689 -3.671) 4.727 2.457 ( -1.739 -0.078 -1.099) 2.058 2.899 ( -2.649 1.255 13.441) 13.757 2.978 ( -3.127 -1.831 10.092) 10.723 3.499 ( 2.772 0.725 -11.279) 11.637 3.525 ( 3.128 -0.302 -10.361) 10.827 4.102 ( -0.602 -0.078 1.715) 1.820 4.109 ( -0.130 -0.472 1.219) 1.314 4.138 ( -0.024 0.722 0.500) 0.878 4.157 ( -0.201 -0.112 0.489) 0.541 4.541 ( -0.975 -0.140 5.954) 6.035 4.546 ( -1.275 -0.253 6.565) 6.692 4.560 ( -0.989 0.566 4.567) 4.708 4.575 ( -0.339 -0.069 3.839) 3.854 5.315 ( -1.092 0.673 3.281) 3.523 5.350 ( -1.454 -0.676 3.007) 3.408 5.578 ( 1.814 0.329 -6.139) 6.409 5.592 ( 1.894 -0.241 -6.333) 6.614 6.617 ( 0.225 0.129 -1.007) 1.040 6.621 ( 0.816 0.021 -1.923) 2.089 6.635 ( 0.493 -0.056 -1.831) 1.897 6.637 ( 0.201 -0.084 -1.217) 1.237 7.796 ( -0.665 0.250 2.890) 2.976 7.811 ( -0.690 -0.314 2.855) 2.953 7.928 ( 0.883 0.192 -3.023) 3.155 7.936 ( 0.859 -0.136 -2.894) 3.022 16.629 ( -0.842 0.441 4.485) 4.585 16.654 ( -0.119 -0.510 4.347) 4.378 16.776 ( 0.393 2.065 0.683) 2.210 16.878 ( 0.915 -1.922 -2.343) 3.165 17.797 ( -5.146 2.332 11.624) 12.924 17.942 ( -6.041 -3.484 10.341) 12.472 18.242 ( -0.708 1.050 -4.956) 5.115 18.284 ( -0.190 -0.628 -4.817) 4.861 19.418 ( -0.611 0.655 2.001) 2.192 19.464 ( 0.525 -1.404 0.992) 1.797 19.528 ( 1.609 1.614 0.473) 2.327 19.588 ( 2.559 -0.993 -1.075) 2.948 ======================= Grid point 119 (69/87) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 2.707 -4.640 3.736) 6.543 0.828 ( 2.707 4.640 3.736) 6.543 0.903 ( -2.140 -3.702 3.397) 5.461 0.903 ( -2.140 3.702 3.397) 5.461 1.135 ( 2.029 -2.892 3.262) 4.808 1.135 ( 2.029 2.892 3.262) 4.808 1.365 ( -2.641 -4.608 -2.611) 5.918 1.365 ( -2.641 4.608 -2.611) 5.918 1.483 ( 0.776 -0.899 -0.919) 1.501 1.483 ( 0.776 0.899 -0.919) 1.501 1.638 ( 2.530 -2.527 0.362) 3.594 1.638 ( 2.530 2.527 0.362) 3.594 1.702 ( -5.650 -3.319 2.649) 7.068 1.702 ( -5.650 3.319 2.649) 7.068 1.863 ( 3.031 -2.035 -2.117) 4.220 1.863 ( 3.031 2.035 -2.117) 4.220 2.032 ( 1.502 -1.048 3.778) 4.199 2.032 ( 1.502 1.048 3.778) 4.199 2.227 ( -0.722 -0.967 -0.057) 1.208 2.227 ( -0.722 0.967 -0.057) 1.208 2.261 ( -0.876 -2.147 -0.713) 2.426 2.261 ( -0.876 2.147 -0.713) 2.426 2.407 ( 1.029 -2.051 -3.400) 4.102 2.407 ( 1.029 2.051 -3.400) 4.102 2.937 ( -3.453 -1.262 12.510) 13.039 2.937 ( -3.453 1.262 12.510) 13.039 3.511 ( 2.598 -1.010 -10.972) 11.321 3.511 ( 2.598 1.010 -10.972) 11.321 4.102 ( -0.506 -0.413 1.614) 1.741 4.102 ( -0.506 0.413 1.614) 1.741 4.150 ( -0.230 -0.384 0.494) 0.667 4.150 ( -0.230 0.384 0.494) 0.667 4.549 ( -1.847 -0.008 6.657) 6.909 4.549 ( -1.847 0.008 6.657) 6.909 4.574 ( -1.030 -0.625 3.865) 4.048 4.574 ( -1.030 0.625 3.865) 4.048 5.323 ( -1.313 -0.625 3.149) 3.469 5.323 ( -1.313 0.625 3.149) 3.469 5.591 ( 2.064 -0.498 -6.139) 6.496 5.591 ( 2.064 0.498 -6.139) 6.496 6.621 ( 0.060 -0.444 -1.049) 1.141 6.621 ( 0.060 0.444 -1.049) 1.141 6.635 ( 0.771 -0.145 -1.952) 2.103 6.635 ( 0.771 0.145 -1.952) 2.103 7.804 ( -0.806 -0.366 2.840) 2.974 7.804 ( -0.806 0.366 2.840) 2.974 7.933 ( 0.804 -0.254 -2.911) 3.031 7.933 ( 0.804 0.254 -2.911) 3.031 16.658 ( -0.386 -0.985 4.595) 4.715 16.658 ( -0.386 0.985 4.595) 4.715 16.822 ( -0.741 -2.278 -0.592) 2.467 16.822 ( -0.741 2.278 -0.592) 2.467 17.817 ( -4.960 -2.912 11.932) 13.246 17.817 ( -4.960 2.912 11.932) 13.246 18.238 ( 0.386 -1.743 -4.530) 4.870 18.238 ( 0.386 1.743 -4.530) 4.870 19.443 ( -0.309 -1.589 1.723) 2.364 19.443 ( -0.309 1.589 1.723) 2.364 19.591 ( 1.194 -1.824 -0.860) 2.344 19.591 ( 1.194 1.824 -0.860) 2.344 ======================= Grid point 121 (70/87) ======================= q-point: ( 0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.448 -3.173 0.953) 3.343 0.880 ( -0.448 3.173 0.953) 3.343 0.895 ( 0.925 -1.455 2.297) 2.872 0.895 ( 0.925 1.455 2.297) 2.872 1.187 ( 0.756 -1.786 1.415) 2.401 1.187 ( 0.756 1.786 1.415) 2.401 1.328 ( 0.931 -2.338 0.798) 2.640 1.328 ( 0.931 2.338 0.798) 2.640 1.489 ( 0.333 -0.567 -0.493) 0.822 1.489 ( 0.333 0.567 -0.493) 0.822 1.578 ( -6.146 -2.165 0.327) 6.524 1.578 ( -6.146 2.165 0.327) 6.524 1.709 ( 2.430 -1.964 0.866) 3.242 1.709 ( 2.430 1.964 0.866) 3.242 1.909 ( 2.536 -3.302 -2.252) 4.734 1.909 ( 2.536 3.302 -2.252) 4.734 2.033 ( -3.046 -0.992 3.644) 4.852 2.033 ( -3.046 0.992 3.644) 4.852 2.200 ( -3.647 -0.833 -1.698) 4.108 2.200 ( -3.647 0.833 -1.698) 4.108 2.242 ( 1.753 -0.467 0.768) 1.970 2.242 ( 1.753 0.467 0.768) 1.970 2.458 ( 4.841 -3.391 -3.174) 6.709 2.458 ( 4.841 3.391 -3.174) 6.709 2.932 ( -3.970 -0.689 13.148) 13.751 2.932 ( -3.970 0.689 13.148) 13.751 3.502 ( 2.480 -1.108 -10.878) 11.212 3.502 ( 2.480 1.108 -10.878) 11.212 4.099 ( -0.650 -0.557 1.585) 1.801 4.099 ( -0.650 0.557 1.585) 1.801 4.149 ( -0.213 -0.326 0.647) 0.755 4.149 ( -0.213 0.326 0.647) 0.755 4.539 ( -2.560 -0.173 6.448) 6.940 4.539 ( -2.560 0.173 6.448) 6.940 4.572 ( -1.359 -0.774 3.955) 4.253 4.572 ( -1.359 0.774 3.955) 4.253 5.316 ( -1.040 -0.280 3.198) 3.374 5.316 ( -1.040 0.280 3.198) 3.374 5.599 ( 1.963 -0.612 -6.014) 6.356 5.599 ( 1.963 0.612 -6.014) 6.356 6.614 ( -0.031 -0.513 -1.091) 1.206 6.614 ( -0.031 0.513 -1.091) 1.206 6.642 ( 0.803 -0.051 -1.923) 2.085 6.642 ( 0.803 0.051 -1.923) 2.085 7.802 ( -0.917 -0.340 2.835) 2.999 7.802 ( -0.917 0.340 2.835) 2.999 7.933 ( 0.733 -0.299 -2.889) 2.996 7.933 ( 0.733 0.299 -2.889) 2.996 16.670 ( -0.955 -1.089 4.252) 4.492 16.670 ( -0.955 1.089 4.252) 4.492 16.799 ( -1.185 -1.235 -0.162) 1.720 16.799 ( -1.185 1.235 -0.162) 1.720 17.802 ( -3.257 -1.661 13.134) 13.634 17.802 ( -3.257 1.661 13.134) 13.634 18.237 ( 1.640 -2.442 -3.276) 4.403 18.237 ( 1.640 2.442 -3.276) 4.403 19.441 ( -0.719 -1.802 1.490) 2.446 19.441 ( -0.719 1.802 1.490) 2.446 19.595 ( -0.117 -1.937 -1.792) 2.641 19.595 ( -0.117 1.937 -1.792) 2.641 ======================= Grid point 123 (71/87) ======================= q-point: ( 0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.427 -5.127 -1.706) 5.588 0.858 ( -1.427 5.127 -1.706) 5.588 0.898 ( -1.521 -1.672 -0.134) 2.264 0.898 ( -1.521 1.672 -0.134) 2.264 1.203 ( 1.183 -0.744 1.775) 2.259 1.203 ( 1.183 0.744 1.775) 2.259 1.386 ( 1.203 -0.527 3.529) 3.766 1.386 ( 1.203 0.527 3.529) 3.766 1.461 ( -3.288 -1.760 3.124) 4.864 1.461 ( -3.288 1.760 3.124) 4.864 1.518 ( 1.741 -2.001 -2.233) 3.467 1.518 ( 1.741 2.001 -2.233) 3.467 1.731 ( -0.439 -2.745 -1.153) 3.010 1.731 ( -0.439 2.745 -1.153) 3.010 1.934 ( 0.995 -2.349 -1.721) 3.077 1.934 ( 0.995 2.349 -1.721) 3.077 1.990 ( -1.875 -2.534 1.528) 3.503 1.990 ( -1.875 2.534 1.528) 3.503 2.118 ( -3.263 -1.221 -1.619) 3.842 2.118 ( -3.263 1.221 -1.619) 3.842 2.288 ( 1.672 -0.844 2.093) 2.809 2.288 ( 1.672 0.844 2.093) 2.809 2.532 ( 3.898 -3.480 -2.897) 5.975 2.532 ( 3.898 3.480 -2.897) 5.975 2.922 ( -4.153 -0.833 13.411) 14.064 2.922 ( -4.153 0.833 13.411) 14.064 3.495 ( 2.657 -0.920 -10.703) 11.067 3.495 ( 2.657 0.920 -10.703) 11.067 4.096 ( -0.509 -0.543 1.502) 1.676 4.096 ( -0.509 0.543 1.502) 1.676 4.148 ( -0.287 -0.260 0.755) 0.849 4.148 ( -0.287 0.260 0.755) 0.849 4.522 ( -2.507 -0.263 6.129) 6.627 4.522 ( -2.507 0.263 6.129) 6.627 4.563 ( -1.607 -0.724 4.090) 4.454 4.563 ( -1.607 0.724 4.090) 4.454 5.317 ( -0.636 -0.463 3.265) 3.359 5.317 ( -0.636 0.463 3.265) 3.359 5.603 ( 1.634 -0.646 -5.935) 6.190 5.603 ( 1.634 0.646 -5.935) 6.190 6.610 ( 0.253 -0.457 -1.124) 1.239 6.610 ( 0.253 0.457 -1.124) 1.239 6.644 ( 0.511 -0.075 -1.906) 1.975 6.644 ( 0.511 0.075 -1.906) 1.975 7.799 ( -0.923 -0.333 2.860) 3.024 7.799 ( -0.923 0.333 2.860) 3.024 7.932 ( 0.709 -0.329 -2.906) 3.009 7.932 ( 0.709 0.329 -2.906) 3.009 16.664 ( -1.677 -0.920 3.544) 4.027 16.664 ( -1.677 0.920 3.544) 4.027 16.780 ( -0.749 -0.236 0.243) 0.822 16.780 ( -0.749 0.236 0.243) 0.822 17.827 ( -1.815 -0.908 14.142) 14.287 17.827 ( -1.815 0.908 14.142) 14.287 18.264 ( 2.383 -2.856 -2.105) 4.274 18.264 ( 2.383 2.856 -2.105) 4.274 19.433 ( -0.835 -1.808 1.408) 2.439 19.433 ( -0.835 1.808 1.408) 2.439 19.571 ( -0.960 -1.789 -2.905) 3.544 19.571 ( -0.960 1.789 -2.905) 3.544 ======================= Grid point 125 (72/87) ======================= q-point: (-0.57 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -2.650 -0.988 -1.770) 3.337 0.806 ( -2.650 0.988 -1.770) 3.337 0.854 ( -1.850 -1.260 -1.286) 2.581 0.854 ( -1.850 1.260 -1.286) 2.581 1.250 ( 2.129 -2.041 2.325) 3.756 1.250 ( 2.129 2.041 2.325) 3.756 1.351 ( -4.457 -0.700 4.495) 6.369 1.351 ( -4.457 0.700 4.495) 6.369 1.490 ( 1.619 -0.746 3.282) 3.735 1.490 ( 1.619 0.746 3.282) 3.735 1.564 ( 3.791 -2.910 -2.294) 5.301 1.564 ( 3.791 2.910 -2.294) 5.301 1.690 ( -2.237 -1.953 -1.448) 3.304 1.690 ( -2.237 1.953 -1.448) 3.304 1.917 ( -1.453 -0.429 -2.098) 2.588 1.917 ( -1.453 0.429 -2.098) 2.588 1.983 ( -0.048 -0.835 0.001) 0.836 1.983 ( -0.048 0.835 0.001) 0.836 2.073 ( -0.307 -4.153 -0.433) 4.187 2.073 ( -0.307 4.153 -0.433) 4.187 2.321 ( 0.402 -1.041 2.423) 2.668 2.321 ( 0.402 1.041 2.423) 2.668 2.569 ( 1.183 -2.762 -2.254) 3.756 2.569 ( 1.183 2.762 -2.254) 3.756 2.915 ( -3.558 -1.402 12.922) 13.476 2.915 ( -3.558 1.402 12.922) 13.476 3.494 ( 3.018 -0.585 -10.558) 10.996 3.494 ( 3.018 0.585 -10.558) 10.996 4.096 ( -0.264 -0.489 1.415) 1.520 4.096 ( -0.264 0.489 1.415) 1.520 4.146 ( -0.301 -0.131 0.769) 0.837 4.146 ( -0.301 0.131 0.769) 0.837 4.510 ( -1.864 -0.357 5.957) 6.252 4.510 ( -1.864 0.357 5.957) 6.252 4.555 ( -1.414 -0.519 4.099) 4.367 4.555 ( -1.414 0.519 4.099) 4.367 5.325 ( -0.384 -0.798 3.283) 3.400 5.325 ( -0.384 0.798 3.283) 3.400 5.600 ( 1.321 -0.644 -5.954) 6.133 5.600 ( 1.321 0.644 -5.954) 6.133 6.612 ( 0.501 -0.384 -1.156) 1.317 6.612 ( 0.501 0.384 -1.156) 1.317 6.642 ( 0.293 -0.140 -1.884) 1.911 6.642 ( 0.293 0.140 -1.884) 1.911 7.797 ( -0.820 -0.349 2.896) 3.030 7.797 ( -0.820 0.349 2.896) 3.030 7.930 ( 0.752 -0.325 -2.947) 3.059 7.930 ( 0.752 0.325 -2.947) 3.059 16.646 ( -1.787 -0.540 3.132) 3.646 16.646 ( -1.787 0.540 3.132) 3.646 16.774 ( 0.042 -0.919 0.362) 0.988 16.774 ( 0.042 0.919 0.362) 0.988 17.872 ( -1.508 -1.768 14.301) 14.488 17.872 ( -1.508 1.768 14.301) 14.488 18.299 ( 1.948 -2.808 -1.917) 3.918 18.299 ( 1.948 2.808 -1.917) 3.918 19.427 ( -0.601 -1.499 1.720) 2.359 19.427 ( -0.601 1.499 1.720) 2.359 19.534 ( -0.750 -1.288 -3.621) 3.916 19.534 ( -0.750 1.288 -3.621) 3.916 ======================= Grid point 127 (73/87) ======================= q-point: (-0.43 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -2.395 -4.497 -0.888) 5.172 0.745 ( -2.395 4.497 -0.888) 5.172 0.840 ( 0.825 -3.227 0.860) 3.440 0.840 ( 0.825 3.227 0.860) 3.440 1.272 ( -5.578 -2.379 5.878) 8.446 1.272 ( -5.578 2.379 5.878) 8.446 1.311 ( 2.114 -1.507 0.694) 2.687 1.311 ( 2.114 1.507 0.694) 2.687 1.520 ( 0.118 -1.310 1.364) 1.895 1.520 ( 0.118 1.310 1.364) 1.895 1.616 ( 1.045 -2.460 -2.002) 3.339 1.616 ( 1.045 2.460 -2.002) 3.339 1.663 ( 1.515 -1.480 -0.367) 2.150 1.663 ( 1.515 1.480 -0.367) 2.150 1.876 ( -1.458 -0.540 -0.897) 1.795 1.876 ( -1.458 0.540 -0.897) 1.795 1.971 ( -1.136 -2.067 0.128) 2.362 1.971 ( -1.136 2.067 0.128) 2.362 2.096 ( 2.719 -4.885 -1.783) 5.868 2.096 ( 2.719 4.885 -1.783) 5.868 2.329 ( -0.954 -0.784 2.494) 2.783 2.329 ( -0.954 0.784 2.494) 2.783 2.558 ( -1.353 -1.528 -0.996) 2.271 2.558 ( -1.353 1.528 -0.996) 2.271 2.920 ( -2.813 -2.174 11.936) 12.454 2.920 ( -2.813 2.174 11.936) 12.454 3.501 ( 3.331 -0.351 -10.548) 11.067 3.501 ( 3.331 0.351 -10.548) 11.067 4.099 ( -0.210 -0.453 1.324) 1.415 4.099 ( -0.210 0.453 1.324) 1.415 4.146 ( -0.103 -0.367 0.741) 0.833 4.146 ( -0.103 0.367 0.741) 0.833 4.513 ( -1.122 -0.329 5.839) 5.955 4.513 ( -1.122 0.329 5.839) 5.955 4.553 ( -0.946 -0.230 4.191) 4.302 4.553 ( -0.946 0.231 4.191) 4.302 5.334 ( -0.505 -1.015 3.217) 3.411 5.334 ( -0.505 1.015 3.217) 3.411 5.593 ( 1.239 -0.598 -6.070) 6.224 5.593 ( 1.239 0.598 -6.070) 6.224 6.616 ( 0.497 -0.255 -1.334) 1.446 6.616 ( 0.497 0.255 -1.334) 1.446 6.638 ( 0.330 -0.081 -1.699) 1.733 6.638 ( 0.330 0.081 -1.699) 1.733 7.798 ( -0.685 -0.377 2.914) 3.017 7.798 ( -0.685 0.377 2.914) 3.017 7.930 ( 0.828 -0.289 -2.984) 3.111 7.930 ( 0.828 0.289 -2.984) 3.111 16.632 ( -1.342 -0.123 3.318) 3.581 16.632 ( -1.342 0.123 3.318) 3.581 16.786 ( 0.987 -1.840 0.159) 2.094 16.786 ( 0.987 1.840 0.159) 2.094 17.908 ( -2.665 -3.127 13.387) 14.003 17.908 ( -2.665 3.127 13.387) 14.003 18.313 ( 0.750 -2.247 -2.872) 3.723 18.313 ( 0.750 2.247 -2.872) 3.723 19.427 ( -0.473 -0.629 2.188) 2.326 19.427 ( -0.473 0.629 2.188) 2.326 19.512 ( 0.607 -0.583 -3.334) 3.439 19.512 ( 0.607 0.583 -3.334) 3.439 ======================= Grid point 129 (74/87) ======================= q-point: (-0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.078 -5.453 1.641) 5.695 0.721 ( -0.078 5.453 1.641) 5.695 0.884 ( 2.102 -2.950 2.439) 4.367 0.884 ( 2.102 2.950 2.439) 4.367 1.178 ( -6.168 -3.619 5.267) 8.882 1.178 ( -6.168 3.619 5.267) 8.882 1.358 ( 1.918 -1.612 0.850) 2.646 1.358 ( 1.918 1.612 0.850) 2.646 1.514 ( -1.024 -2.276 -0.280) 2.511 1.514 ( -1.024 2.276 -0.280) 2.511 1.602 ( -0.054 -2.366 -1.832) 2.993 1.602 ( -0.054 2.366 -1.832) 2.993 1.724 ( 3.507 -1.421 -0.236) 3.791 1.724 ( 3.507 1.421 -0.236) 3.791 1.857 ( -1.324 -1.834 2.841) 3.631 1.857 ( -1.324 1.834 2.841) 3.631 1.944 ( -0.727 -1.740 -1.479) 2.397 1.944 ( -0.727 1.740 -1.479) 2.397 2.150 ( 3.821 -3.348 -2.684) 5.746 2.150 ( 3.821 3.348 -2.684) 5.746 2.313 ( -1.836 -0.648 2.219) 2.952 2.313 ( -1.836 0.648 2.219) 2.952 2.512 ( -2.772 -0.361 -0.381) 2.822 2.512 ( -2.772 0.361 -0.381) 2.822 2.929 ( -2.687 -2.526 11.486) 12.064 2.929 ( -2.687 2.526 11.486) 12.064 3.510 ( 3.324 -0.429 -10.706) 11.218 3.510 ( 3.324 0.429 -10.706) 11.218 4.101 ( -0.288 -0.286 1.332) 1.393 4.101 ( -0.288 0.286 1.332) 1.393 4.149 ( 0.026 -0.532 0.635) 0.829 4.149 ( 0.026 0.532 0.635) 0.829 4.526 ( -0.759 -0.198 5.855) 5.907 4.526 ( -0.759 0.198 5.855) 5.907 4.561 ( -0.668 -0.157 4.360) 4.414 4.561 ( -0.668 0.157 4.360) 4.414 5.337 ( -0.914 -1.077 3.145) 3.447 5.337 ( -0.914 1.077 3.145) 3.447 5.586 ( 1.461 -0.478 -6.199) 6.387 5.586 ( 1.461 0.478 -6.199) 6.387 6.617 ( 0.500 -0.072 -1.554) 1.634 6.617 ( 0.500 0.072 -1.554) 1.634 6.637 ( 0.360 -0.049 -1.458) 1.503 6.637 ( 0.360 0.049 -1.458) 1.503 7.800 ( -0.621 -0.397 2.901) 2.993 7.800 ( -0.621 0.397 2.901) 2.993 7.931 ( 0.879 -0.245 -2.989) 3.125 7.931 ( 0.879 0.245 -2.989) 3.125 16.630 ( -0.790 -0.307 3.864) 3.956 16.630 ( -0.790 0.307 3.864) 3.956 16.810 ( 1.359 -2.579 -0.289) 2.929 16.810 ( 1.359 2.579 -0.289) 2.929 17.904 ( -4.576 -4.047 12.002) 13.467 17.904 ( -4.576 4.047 12.002) 13.467 18.298 ( -0.240 -1.401 -4.230) 4.463 18.298 ( -0.240 1.401 -4.230) 4.463 19.430 ( -0.334 -0.520 2.047) 2.138 19.430 ( -0.334 0.520 2.047) 2.138 19.525 ( 1.972 -1.104 -1.785) 2.880 19.525 ( 1.972 1.104 -1.785) 2.880 ======================= Grid point 131 (75/87) ======================= q-point: (-0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 2.032 -5.296 3.895) 6.881 0.757 ( 2.032 5.296 3.895) 6.881 0.919 ( -0.547 -1.516 3.052) 3.452 0.919 ( -0.547 1.516 3.052) 3.452 1.113 ( -2.346 -3.111 4.159) 5.700 1.113 ( -2.346 3.111 4.159) 5.700 1.396 ( 0.840 -3.007 1.010) 3.281 1.396 ( 0.840 3.007 1.010) 3.281 1.482 ( -0.858 -2.448 -1.948) 3.244 1.482 ( -0.858 2.448 -1.948) 3.244 1.604 ( 1.067 -2.391 -1.370) 2.955 1.604 ( 1.067 2.391 -1.370) 2.955 1.769 ( -0.540 -3.174 1.345) 3.489 1.769 ( -0.540 3.174 1.345) 3.489 1.834 ( -0.913 -1.620 0.706) 1.989 1.834 ( -0.913 1.620 0.706) 1.989 1.964 ( 2.931 -1.085 1.011) 3.285 1.964 ( 2.931 1.085 1.011) 3.285 2.211 ( 3.263 -1.271 -1.986) 4.026 2.211 ( 3.263 1.271 -1.986) 4.026 2.282 ( -2.069 -2.626 1.102) 3.520 2.282 ( -2.069 2.626 1.102) 3.520 2.449 ( -2.907 -0.576 -1.379) 3.268 2.449 ( -2.907 0.576 -1.379) 3.268 2.935 ( -2.986 -2.140 11.810) 12.368 2.935 ( -2.986 2.140 11.810) 12.368 3.515 ( 2.975 -0.707 -10.904) 11.324 3.515 ( 2.975 0.707 -10.904) 11.324 4.102 ( -0.351 -0.177 1.483) 1.535 4.102 ( -0.351 0.177 1.483) 1.535 4.151 ( -0.121 -0.493 0.496) 0.710 4.151 ( -0.121 0.493 0.496) 0.710 4.542 ( -1.012 -0.152 6.214) 6.297 4.542 ( -1.012 0.152 6.214) 6.297 4.570 ( -0.778 -0.374 4.245) 4.332 4.570 ( -0.778 0.374 4.245) 4.332 5.332 ( -1.272 -0.951 3.129) 3.509 5.332 ( -1.272 0.951 3.129) 3.509 5.586 ( 1.838 -0.398 -6.228) 6.506 5.586 ( 1.838 0.398 -6.228) 6.506 6.620 ( 0.581 -0.134 -1.442) 1.560 6.620 ( 0.581 0.134 -1.442) 1.560 6.635 ( 0.293 -0.051 -1.555) 1.583 6.635 ( 0.293 0.051 -1.555) 1.583 7.803 ( -0.675 -0.392 2.868) 2.973 7.803 ( -0.675 0.392 2.868) 2.973 7.932 ( 0.869 -0.228 -2.956) 3.089 7.932 ( 0.869 0.228 -2.956) 3.089 16.641 ( -0.401 -0.690 4.397) 4.469 16.641 ( -0.401 0.690 4.397) 4.469 16.828 ( 0.542 -2.796 -0.666) 2.925 16.828 ( 0.542 2.796 -0.666) 2.925 17.863 ( -5.658 -3.934 11.347) 13.276 17.863 ( -5.658 3.934 11.347) 13.276 18.266 ( -0.398 -1.113 -4.958) 5.097 18.266 ( -0.398 1.113 -4.958) 5.097 19.437 ( -0.105 -1.201 1.886) 2.238 19.437 ( -0.105 1.201 1.886) 2.238 19.561 ( 2.121 -1.578 -0.724) 2.740 19.561 ( 2.121 1.578 -0.724) 2.740 ======================= Grid point 140 (76/87) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -5.555 0.000 -2.468) 6.078 0.836 ( 5.555 0.000 2.468) 6.078 1.015 ( 0.407 0.000 -1.482) 1.537 1.015 ( -0.407 0.000 1.482) 1.537 1.118 ( -0.487 0.000 -3.698) 3.730 1.118 ( 0.487 0.000 3.698) 3.730 1.418 ( -0.459 0.000 -5.320) 5.339 1.418 ( 0.459 0.000 5.320) 5.339 1.455 ( -0.009 0.000 -0.061) 0.062 1.455 ( 0.009 0.000 0.061) 0.062 1.616 ( -3.476 0.000 -1.372) 3.737 1.616 ( 3.476 0.000 1.372) 3.737 1.723 ( 1.544 0.000 -5.114) 5.342 1.723 ( -1.544 0.000 5.114) 5.342 1.790 ( -5.634 0.000 1.837) 5.926 1.790 ( 5.634 0.000 -1.837) 5.926 2.128 ( -0.836 0.000 -3.860) 3.949 2.128 ( 0.836 0.000 3.860) 3.949 2.193 ( -1.769 0.000 -5.103) 5.401 2.193 ( 1.769 0.000 5.103) 5.401 2.258 ( 1.603 0.000 -3.046) 3.442 2.258 ( -1.603 0.000 3.046) 3.442 2.362 ( 4.799 0.000 -3.335) 5.843 2.362 ( -4.799 0.000 3.335) 5.843 3.211 ( 3.640 0.000 -14.070) 14.533 3.211 ( -3.640 0.000 14.070) 14.533 3.272 ( 3.757 0.000 -14.397) 14.879 3.272 ( -3.757 0.000 14.397) 14.879 4.123 ( 0.326 0.000 -0.682) 0.756 4.123 ( -0.326 0.000 0.682) 0.756 4.152 ( -0.310 0.000 -0.660) 0.729 4.152 ( 0.310 0.000 0.660) 0.729 4.608 ( -0.097 0.000 -0.509) 0.518 4.608 ( 0.097 0.000 0.509) 0.518 4.629 ( 0.552 0.000 -0.412) 0.688 4.629 ( -0.552 0.000 0.412) 0.688 5.428 ( 2.138 0.000 -7.451) 7.752 5.428 ( -2.138 0.000 7.451) 7.752 5.453 ( 2.757 0.000 -7.233) 7.740 5.453 ( -2.757 0.000 7.233) 7.740 6.602 ( 0.579 0.000 -0.371) 0.688 6.602 ( -0.579 0.000 0.371) 0.688 6.621 ( -0.159 0.000 -0.057) 0.169 6.621 ( 0.159 0.000 0.057) 0.169 7.860 ( 0.869 0.000 -3.205) 3.321 7.860 ( -0.869 0.000 3.205) 3.321 7.877 ( 0.919 0.000 -3.058) 3.193 7.877 ( -0.919 0.000 3.058) 3.193 16.725 ( 0.945 0.000 -3.876) 3.990 16.725 ( -0.945 0.000 3.876) 3.990 16.792 ( 0.154 0.000 -5.321) 5.324 16.792 ( -0.154 0.000 5.321) 5.324 18.008 ( 2.244 0.000 -11.328) 11.548 18.008 ( -2.244 0.000 11.328) 11.548 18.129 ( 4.496 0.000 -9.840) 10.818 18.129 ( -4.496 0.000 9.840) 10.818 19.448 ( 0.693 0.000 -1.798) 1.927 19.448 ( -0.693 0.000 1.798) 1.927 19.603 ( 0.701 0.000 -2.126) 2.239 19.603 ( -0.701 0.000 2.126) 2.239 ======================= Grid point 142 (77/87) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -5.042 0.000 -4.673) 6.875 0.916 ( 1.761 0.000 -1.126) 2.090 1.011 ( -1.657 0.000 2.282) 2.820 1.016 ( 0.249 0.000 -1.799) 1.816 1.107 ( 1.252 0.000 -3.193) 3.430 1.175 ( 3.088 0.000 4.342) 5.328 1.399 ( 2.260 0.000 -6.458) 6.842 1.421 ( -1.252 0.000 0.064) 1.254 1.443 ( -1.172 0.000 -0.304) 1.211 1.472 ( 0.339 0.000 2.298) 2.323 1.558 ( -2.035 0.000 4.556) 4.990 1.663 ( -6.676 0.000 3.287) 7.441 1.673 ( 1.759 0.000 0.815) 1.939 1.742 ( 2.722 0.000 -4.989) 5.683 1.759 ( 1.709 0.000 2.023) 2.648 1.861 ( 1.537 0.000 -1.160) 1.926 2.062 ( -2.637 0.000 -5.847) 6.414 2.093 ( -4.873 0.000 1.366) 5.061 2.121 ( -0.824 0.000 -6.663) 6.713 2.215 ( -2.997 0.000 2.019) 3.614 2.267 ( 1.147 0.000 5.924) 6.034 2.303 ( 3.137 0.000 -1.153) 3.342 2.360 ( 1.983 0.000 4.699) 5.100 2.449 ( 4.895 0.000 -2.891) 5.685 3.208 ( 3.787 0.000 -14.150) 14.648 3.215 ( -3.698 0.000 14.567) 15.029 3.266 ( 3.340 0.000 -14.044) 14.435 3.270 ( -4.309 0.000 14.455) 15.083 4.121 ( -0.351 0.000 0.778) 0.853 4.127 ( 0.367 0.000 -0.495) 0.616 4.141 ( -0.404 0.000 -0.642) 0.758 4.159 ( 0.059 0.000 0.575) 0.578 4.598 ( -0.600 0.000 -0.244) 0.648 4.606 ( -0.530 0.000 0.565) 0.775 4.615 ( -0.983 0.000 0.320) 1.034 4.630 ( -0.227 0.000 -0.471) 0.523 5.426 ( -2.093 0.000 7.206) 7.503 5.431 ( 2.233 0.000 -7.612) 7.933 5.442 ( -2.213 0.000 7.377) 7.702 5.468 ( 2.540 0.000 -7.057) 7.500 6.594 ( -0.363 0.000 0.340) 0.497 6.610 ( 0.369 0.000 -0.427) 0.564 6.617 ( -0.196 0.000 -0.014) 0.196 6.624 ( 0.083 0.000 0.079) 0.115 7.859 ( 0.766 0.000 -3.203) 3.293 7.859 ( -0.978 0.000 3.235) 3.379 7.874 ( -0.973 0.000 3.085) 3.235 7.877 ( 0.808 0.000 -3.081) 3.185 16.722 ( 1.020 0.000 -4.147) 4.270 16.723 ( -1.251 0.000 3.383) 3.607 16.760 ( -0.532 0.000 -4.780) 4.809 16.805 ( -1.523 0.000 5.341) 5.554 18.013 ( 3.988 0.000 -10.320) 11.064 18.043 ( -0.819 0.000 12.118) 12.145 18.112 ( -2.853 0.000 11.458) 11.808 18.179 ( 5.273 0.000 -8.351) 9.876 19.441 ( -0.936 0.000 1.828) 2.054 19.448 ( 0.342 0.000 -1.695) 1.729 19.582 ( -2.117 0.000 1.002) 2.343 19.586 ( -0.934 0.000 -3.224) 3.356 ======================= Grid point 143 (78/87) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.713 0.000 -4.388) 4.446 0.895 ( -3.531 0.000 -1.771) 3.950 0.962 ( -3.151 0.000 0.768) 3.243 0.992 ( -1.357 0.000 -2.862) 3.167 1.145 ( 4.320 0.000 -3.218) 5.387 1.248 ( 1.190 0.000 3.875) 4.054 1.404 ( -1.114 0.000 -1.944) 2.240 1.437 ( 2.539 0.000 2.733) 3.730 1.441 ( 4.310 0.000 -7.135) 8.336 1.476 ( -0.755 0.000 3.351) 3.435 1.533 ( -5.481 0.000 6.636) 8.607 1.606 ( 0.427 0.000 3.943) 3.966 1.695 ( 0.178 0.000 -0.559) 0.587 1.758 ( 1.148 0.000 -4.934) 5.065 1.814 ( 2.509 0.000 0.389) 2.539 1.842 ( -1.521 0.000 -1.416) 2.078 1.968 ( -3.353 0.000 -5.083) 6.089 1.993 ( -5.510 0.000 1.706) 5.768 2.116 ( 2.840 0.000 -6.133) 6.759 2.165 ( -2.597 0.000 2.437) 3.562 2.325 ( 1.029 0.000 5.639) 5.732 2.351 ( 1.839 0.000 0.031) 1.839 2.431 ( 2.524 0.000 3.327) 4.176 2.509 ( 2.937 0.000 -3.889) 4.874 3.210 ( 4.245 0.000 -14.765) 15.363 3.220 ( -3.776 0.000 14.978) 15.446 3.255 ( 3.069 0.000 -13.633) 13.974 3.257 ( -4.744 0.000 14.448) 15.207 4.118 ( -0.357 0.000 0.757) 0.837 4.127 ( -0.280 0.000 -0.574) 0.638 4.136 ( 0.425 0.000 -0.323) 0.534 4.160 ( -0.225 0.000 0.422) 0.478 4.586 ( -0.578 0.000 0.218) 0.618 4.595 ( -0.781 0.000 0.466) 0.910 4.598 ( -0.787 0.000 0.049) 0.789 4.616 ( -0.801 0.000 -0.533) 0.962 5.423 ( -2.041 0.000 7.237) 7.519 5.433 ( 2.046 0.000 -7.597) 7.867 5.447 ( -1.370 0.000 7.219) 7.348 5.476 ( 1.988 0.000 -6.915) 7.195 6.592 ( -0.007 0.000 0.313) 0.313 6.611 ( -0.086 0.000 -0.427) 0.436 6.615 ( -0.018 0.000 0.068) 0.070 6.625 ( -0.005 0.000 0.022) 0.023 7.856 ( 0.746 0.000 -3.227) 3.312 7.856 ( -1.012 0.000 3.266) 3.420 7.872 ( -0.932 0.000 3.146) 3.281 7.876 ( 0.728 0.000 -3.138) 3.221 16.712 ( -1.458 0.000 2.927) 3.271 16.723 ( 1.408 0.000 -4.172) 4.403 16.726 ( -0.372 0.000 -4.054) 4.071 16.790 ( -2.636 0.000 4.919) 5.581 18.048 ( 4.765 0.000 -9.893) 10.981 18.085 ( -1.822 0.000 11.769) 11.909 18.145 ( -0.283 0.000 12.556) 12.560 18.233 ( 4.346 0.000 -8.204) 9.284 19.435 ( -0.555 0.000 2.034) 2.108 19.447 ( 0.457 0.000 -1.287) 1.366 19.537 ( -2.609 0.000 0.318) 2.629 19.538 ( -1.815 0.000 -3.744) 4.161 ======================= Grid point 144 (79/87) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.857 0.000 -1.998) 5.251 0.767 ( -7.376 0.000 -0.583) 7.399 0.933 ( -0.481 0.000 0.971) 1.084 0.949 ( -1.141 0.000 -2.368) 2.628 1.224 ( 4.806 0.000 -3.549) 5.974 1.266 ( -1.398 0.000 3.926) 4.168 1.381 ( 1.245 0.000 -4.536) 4.704 1.421 ( -5.067 0.000 6.052) 7.892 1.481 ( 3.141 0.000 -7.391) 8.031 1.491 ( -2.257 0.000 6.762) 7.129 1.561 ( 5.750 0.000 2.214) 6.162 1.659 ( 1.834 0.000 5.046) 5.368 1.667 ( -3.105 0.000 -1.535) 3.463 1.717 ( -1.399 0.000 -5.472) 5.648 1.829 ( 1.020 0.000 -3.109) 3.272 1.839 ( -0.661 0.000 1.541) 1.677 1.903 ( -0.917 0.000 -1.112) 1.442 1.916 ( -2.531 0.000 0.673) 2.619 2.137 ( 2.009 0.000 -4.984) 5.373 2.144 ( -1.405 0.000 3.756) 4.010 2.362 ( 0.458 0.000 2.723) 2.761 2.372 ( 0.315 0.000 -0.249) 0.402 2.489 ( 1.407 0.000 3.854) 4.103 2.521 ( 0.577 0.000 -4.481) 4.518 3.219 ( 4.786 0.000 -15.314) 16.044 3.226 ( -3.914 0.000 15.343) 15.834 3.240 ( -4.514 0.000 14.030) 14.738 3.242 ( 3.067 0.000 -13.595) 13.936 4.116 ( -0.182 0.000 0.676) 0.700 4.119 ( -0.131 0.000 -0.606) 0.620 4.146 ( 0.569 0.000 -0.209) 0.606 4.155 ( -0.458 0.000 0.270) 0.532 4.581 ( -0.138 0.000 0.471) 0.491 4.584 ( -0.443 0.000 0.149) 0.467 4.589 ( -0.003 0.000 -0.142) 0.142 4.597 ( -0.740 0.000 -0.392) 0.838 5.425 ( -1.745 0.000 7.344) 7.548 5.430 ( 1.762 0.000 -7.471) 7.676 5.460 ( -1.161 0.000 7.013) 7.109 5.473 ( 1.435 0.000 -6.892) 7.040 6.597 ( 0.235 0.000 0.327) 0.402 6.604 ( -0.296 0.000 -0.386) 0.486 6.617 ( 0.224 0.000 0.111) 0.250 6.623 ( -0.209 0.000 -0.062) 0.218 7.854 ( 0.824 0.000 -3.258) 3.361 7.854 ( -0.943 0.000 3.276) 3.409 7.872 ( -0.829 0.000 3.193) 3.299 7.873 ( 0.739 0.000 -3.189) 3.273 16.702 ( -1.053 0.000 2.866) 3.054 16.705 ( 0.248 0.000 -3.281) 3.291 16.735 ( 2.117 0.000 -4.266) 4.762 16.761 ( -2.745 0.000 4.472) 5.247 18.084 ( 4.193 0.000 -10.316) 11.135 18.098 ( -3.020 0.000 11.148) 11.550 18.212 ( -0.117 0.000 11.725) 11.726 18.250 ( 2.072 0.000 -9.753) 9.971 19.445 ( 0.418 0.000 2.460) 2.496 19.456 ( 0.961 0.000 -0.680) 1.177 19.485 ( -1.277 0.000 -3.388) 3.621 19.491 ( -2.107 0.000 0.389) 2.143 ======================= Grid point 148 (80/87) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -3.774 1.923 -2.767) 5.060 0.859 ( 3.774 1.923 2.767) 5.060 0.968 ( 0.383 -3.109 -1.194) 3.353 0.968 ( -0.383 -3.109 1.194) 3.353 1.152 ( -1.417 1.879 -2.503) 3.436 1.152 ( 1.417 1.879 2.503) 3.436 1.367 ( -1.641 -3.253 -4.919) 6.122 1.367 ( 1.641 -3.253 4.919) 6.122 1.466 ( 0.077 0.544 -0.348) 0.650 1.466 ( -0.077 0.544 0.348) 0.650 1.626 ( -2.013 0.385 -1.739) 2.688 1.626 ( 2.013 0.385 1.739) 2.688 1.746 ( 2.130 2.160 -4.874) 5.741 1.746 ( -2.130 2.160 4.874) 5.741 1.801 ( 3.721 0.590 -2.721) 4.648 1.801 ( -3.721 0.590 2.721) 4.648 2.101 ( 0.030 -1.647 -1.920) 2.530 2.101 ( -0.030 -1.647 1.920) 2.530 2.213 ( -0.884 0.838 -1.757) 2.138 2.213 ( 0.884 0.838 1.757) 2.138 2.259 ( 1.948 0.357 -3.058) 3.643 2.259 ( -1.948 0.357 3.058) 3.643 2.349 ( 2.397 -1.074 -3.022) 4.004 2.349 ( -2.397 -1.074 3.022) 4.004 3.220 ( 3.563 0.830 -13.970) 14.441 3.220 ( -3.563 0.830 13.970) 14.441 3.264 ( 3.651 -0.766 -14.180) 14.663 3.264 ( -3.651 -0.766 14.180) 14.663 4.122 ( 0.304 -0.087 -0.492) 0.585 4.122 ( -0.304 -0.087 0.492) 0.585 4.153 ( -0.129 0.124 -0.482) 0.514 4.153 ( 0.129 0.124 0.482) 0.514 4.611 ( -0.249 0.324 -0.432) 0.594 4.611 ( 0.249 0.324 0.432) 0.594 4.626 ( -0.017 -0.253 -0.314) 0.404 4.626 ( 0.017 -0.253 0.314) 0.404 5.429 ( 1.717 0.114 -5.885) 6.131 5.429 ( -1.717 0.114 5.885) 6.131 5.452 ( 2.153 -0.103 -5.729) 6.121 5.452 ( -2.153 -0.103 5.729) 6.121 6.604 ( 0.399 0.204 -0.278) 0.527 6.604 ( -0.399 0.204 0.278) 0.527 6.619 ( -0.267 -0.200 0.013) 0.334 6.619 ( 0.267 -0.200 -0.013) 0.334 7.860 ( 0.629 0.013 -2.319) 2.402 7.860 ( -0.629 0.013 2.319) 2.402 7.877 ( 0.664 -0.018 -2.214) 2.312 7.877 ( -0.664 -0.018 2.214) 2.312 16.735 ( 0.753 0.985 -4.074) 4.259 16.735 ( -0.753 0.985 4.074) 4.259 16.783 ( 0.207 -0.869 -5.100) 5.178 16.783 ( -0.207 -0.869 5.100) 5.178 18.021 ( 2.246 1.123 -10.177) 10.482 18.021 ( -2.246 1.123 10.177) 10.482 18.115 ( 3.836 -1.192 -9.135) 9.979 18.115 ( -3.836 -1.192 9.135) 9.979 19.454 ( 0.526 0.495 -1.427) 1.600 19.454 ( -0.526 0.495 1.427) 1.600 19.595 ( 0.533 -0.613 -1.654) 1.843 19.595 ( -0.533 -0.613 1.654) 1.843 ======================= Grid point 150 (81/87) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -4.311 4.318 -4.342) 7.489 0.904 ( 0.438 -1.136 -1.337) 1.809 0.952 ( -0.591 -3.245 0.540) 3.342 0.996 ( 0.285 -2.740 -0.286) 2.770 1.128 ( 0.859 1.824 -2.582) 3.276 1.205 ( 2.252 0.812 2.537) 3.488 1.346 ( 2.261 -1.124 -2.197) 3.347 1.428 ( 1.311 -1.584 1.568) 2.585 1.460 ( -0.561 0.834 -0.224) 1.030 1.469 ( 0.474 -0.042 0.113) 0.489 1.561 ( -2.881 0.562 1.193) 3.169 1.622 ( -3.533 -2.311 1.205) 4.391 1.706 ( -2.250 2.103 3.078) 4.354 1.756 ( -0.006 0.948 -0.038) 0.949 1.799 ( 3.175 2.989 -1.208) 4.525 1.880 ( 2.962 1.041 -1.693) 3.567 2.044 ( -2.712 -2.324 -3.319) 4.876 2.055 ( -3.058 -1.100 -4.253) 5.353 2.147 ( -3.762 1.413 -1.603) 4.326 2.203 ( -3.395 -1.092 1.515) 3.875 2.265 ( 1.656 -0.029 3.165) 3.572 2.300 ( 1.806 -0.949 1.945) 2.819 2.371 ( 3.696 1.425 1.844) 4.369 2.439 ( 4.895 -1.015 -1.827) 5.322 3.216 ( 3.616 0.696 -13.899) 14.379 3.224 ( -3.567 0.761 13.707) 14.184 3.257 ( 2.935 -0.752 -12.508) 12.870 3.264 ( -3.883 -0.624 13.387) 13.953 4.117 ( -0.373 -0.136 0.462) 0.609 4.124 ( 0.089 -0.309 -0.360) 0.482 4.147 ( -0.204 0.503 -0.153) 0.564 4.159 ( 0.123 -0.008 0.295) 0.320 4.599 ( -0.753 0.134 -0.208) 0.793 4.611 ( -0.909 -0.156 0.102) 0.928 4.613 ( -0.457 0.320 0.427) 0.703 4.629 ( -0.222 -0.163 -0.171) 0.324 5.426 ( -1.589 0.008 5.280) 5.514 5.430 ( -0.167 -0.120 0.025) 0.208 5.447 ( -0.090 0.441 0.971) 1.070 5.465 ( 2.311 -0.300 -6.320) 6.736 6.596 ( -0.376 0.196 0.259) 0.497 6.608 ( -0.100 -0.239 -0.190) 0.321 6.617 ( 0.195 0.104 -0.083) 0.236 6.623 ( 0.172 -0.058 -0.013) 0.182 7.859 ( -0.257 0.016 0.574) 0.629 7.859 ( -0.017 0.016 -0.277) 0.278 7.875 ( -0.692 0.021 2.087) 2.199 7.877 ( 0.590 -0.063 -2.348) 2.421 16.721 ( -0.269 0.393 -1.935) 1.993 16.743 ( -0.242 1.366 1.373) 1.951 16.752 ( -0.576 -0.707 -4.245) 4.341 16.797 ( -1.223 -0.836 4.620) 4.851 18.031 ( 3.733 1.618 -8.501) 9.424 18.050 ( -0.732 0.617 11.042) 11.084 18.107 ( -2.226 -0.392 10.268) 10.514 18.157 ( 4.843 -1.996 -8.069) 9.621 19.447 ( -0.778 0.521 1.107) 1.450 19.453 ( 0.108 0.372 -1.107) 1.173 19.575 ( -1.797 -0.538 -0.115) 1.879 19.579 ( -1.158 -0.568 -1.935) 2.326 ======================= Grid point 151 (82/87) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -1.120 4.865 -4.096) 6.458 0.880 ( -2.029 -1.881 -2.851) 3.972 0.921 ( -2.528 -2.450 -0.781) 3.606 0.958 ( -2.828 -3.242 -0.234) 4.308 1.173 ( 4.427 2.425 -2.153) 5.488 1.255 ( 1.070 -0.056 3.064) 3.246 1.402 ( 0.957 0.153 -2.596) 2.771 1.427 ( 2.620 -0.248 -4.132) 4.899 1.463 ( 1.678 1.254 1.037) 2.337 1.483 ( 0.070 0.346 2.381) 2.407 1.543 ( -4.911 0.422 5.754) 7.577 1.561 ( 0.407 -2.715 2.760) 3.892 1.692 ( -0.669 0.066 -0.005) 0.673 1.755 ( -0.386 -0.874 -1.874) 2.104 1.851 ( 2.622 3.222 -0.584) 4.195 1.879 ( -1.400 2.891 -1.707) 3.638 1.967 ( -3.223 -0.388 -4.559) 5.596 1.986 ( -2.652 -0.750 0.517) 2.804 2.095 ( 0.545 -1.144 -3.899) 4.100 2.148 ( -2.808 -1.602 2.649) 4.179 2.316 ( 1.560 -0.387 2.728) 3.166 2.341 ( 1.294 -1.115 1.240) 2.111 2.451 ( 3.097 1.780 1.690) 3.951 2.507 ( 2.978 -0.437 -2.429) 3.867 3.215 ( 3.967 0.477 -14.277) 14.826 3.226 ( -3.490 0.505 13.377) 13.834 3.247 ( 1.401 -0.622 -7.548) 7.702 3.255 ( -3.116 -0.382 9.339) 9.852 4.113 ( -0.240 -0.190 0.387) 0.494 4.122 ( -0.193 -0.435 -0.142) 0.496 4.145 ( 0.117 0.638 -0.179) 0.673 4.160 ( -0.171 -0.023 0.240) 0.296 4.583 ( -0.730 -0.066 0.140) 0.746 4.592 ( -0.889 -0.359 -0.073) 0.961 4.604 ( -0.615 0.540 0.381) 0.903 4.617 ( -0.719 0.006 -0.266) 0.766 5.423 ( -1.734 0.019 6.147) 6.387 5.428 ( 0.296 -0.283 -1.024) 1.103 5.454 ( 0.232 0.565 0.895) 1.084 5.473 ( 1.822 -0.262 -6.027) 6.301 6.594 ( -0.029 0.129 0.257) 0.289 6.605 ( -0.122 -0.367 -0.097) 0.398 6.619 ( 0.041 0.255 -0.148) 0.297 6.625 ( -0.006 -0.018 -0.042) 0.046 7.857 ( -0.316 0.026 0.727) 0.793 7.857 ( -0.020 0.027 -0.368) 0.369 7.872 ( -0.670 0.020 2.127) 2.230 7.875 ( 0.538 -0.082 -2.439) 2.499 16.706 ( -0.492 -0.115 -0.713) 0.874 16.721 ( -0.498 -0.505 -3.366) 3.440 16.743 ( 0.021 1.319 -0.262) 1.344 16.785 ( -2.114 -0.516 3.979) 4.535 18.069 ( 4.131 1.901 -7.274) 8.578 18.094 ( -0.869 0.876 9.782) 9.859 18.139 ( -0.474 -0.546 11.609) 11.631 18.207 ( 4.255 -2.411 -8.094) 9.456 19.440 ( -0.447 0.431 1.263) 1.407 19.451 ( 0.228 0.205 -0.761) 0.820 19.530 ( -2.199 -0.418 -1.489) 2.688 19.536 ( -2.077 -0.370 -1.635) 2.668 ======================= Grid point 152 (83/87) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.617 3.371 -2.000) 5.333 0.778 ( -6.113 0.865 -0.609) 6.204 0.892 ( 0.217 -3.356 -1.324) 3.614 0.910 ( -1.864 -3.271 0.024) 3.765 1.249 ( 3.429 1.826 -1.568) 4.189 1.274 ( -0.727 0.582 2.883) 3.029 1.395 ( 2.315 1.309 -4.953) 5.621 1.442 ( -2.739 0.681 2.768) 3.953 1.473 ( 0.454 0.422 -0.884) 1.080 1.493 ( -1.530 -0.106 2.086) 2.589 1.558 ( 3.743 -0.014 2.838) 4.697 1.593 ( 1.072 -3.482 1.051) 3.791 1.677 ( -0.551 -0.235 0.093) 0.606 1.708 ( -2.561 -1.613 -2.435) 3.885 1.850 ( 0.020 2.082 -0.580) 2.162 1.880 ( -1.554 2.004 -2.706) 3.709 1.908 ( 0.985 1.551 1.104) 2.143 1.944 ( -1.846 2.404 0.084) 3.032 2.105 ( 1.869 -2.703 -3.733) 4.973 2.121 ( -1.728 -2.221 3.146) 4.221 2.350 ( 0.761 -0.711 1.407) 1.750 2.360 ( 0.172 -0.972 0.086) 0.991 2.506 ( 1.437 1.292 2.230) 2.951 2.528 ( 0.642 0.396 -2.722) 2.824 3.220 ( 3.429 0.148 -11.058) 11.579 3.229 ( -3.054 0.289 11.130) 11.545 3.234 ( -0.008 -0.407 -0.912) 0.999 3.242 ( -0.961 -0.135 1.253) 1.585 4.113 ( 0.033 -0.165 0.207) 0.267 4.117 ( -0.250 -0.232 -0.066) 0.347 4.149 ( 0.370 0.288 -0.188) 0.505 4.156 ( -0.380 0.041 0.183) 0.424 4.575 ( -0.249 -0.271 0.390) 0.536 4.578 ( -0.361 -0.377 -0.306) 0.605 4.597 ( -0.179 0.492 0.281) 0.594 4.602 ( -0.537 0.267 -0.286) 0.664 5.424 ( -1.314 -0.022 5.503) 5.658 5.428 ( 0.901 -0.188 -3.783) 3.893 5.464 ( -0.456 0.301 3.538) 3.580 5.472 ( 1.156 -0.045 -5.246) 5.372 6.597 ( 0.187 0.042 0.258) 0.321 6.602 ( -0.144 -0.172 -0.196) 0.298 6.619 ( 0.088 0.141 0.004) 0.167 6.623 ( -0.176 -0.010 -0.077) 0.192 7.855 ( -0.249 0.037 0.751) 0.792 7.855 ( 0.102 0.038 -0.596) 0.606 7.871 ( -0.610 -0.019 2.292) 2.372 7.873 ( 0.550 -0.063 -2.423) 2.486 16.696 ( -0.466 -0.311 0.905) 1.064 16.700 ( -0.014 -0.378 -2.268) 2.299 16.746 ( 1.004 0.782 -1.923) 2.306 16.762 ( -1.965 0.069 3.084) 3.657 18.105 ( 3.168 1.912 -6.938) 7.863 18.115 ( -1.838 1.620 7.912) 8.283 18.196 ( -0.466 -1.511 11.265) 11.375 18.226 ( 2.281 -2.223 -9.525) 10.043 19.448 ( 0.518 0.248 1.689) 1.784 19.459 ( 0.882 0.099 -0.115) 0.895 19.481 ( -1.541 -0.222 -2.150) 2.655 19.489 ( -1.851 -0.223 -0.613) 1.962 ======================= Grid point 156 (84/87) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 -0.000 0.000) 0.000 0.890 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 -0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.330 ( -0.000 0.000 0.000) 0.000 1.330 ( -0.000 0.000 0.000) 0.000 1.472 ( -0.000 0.000 0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 -0.000 -0.000) 0.000 1.787 ( -0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 -0.000) 0.000 1.796 ( -0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.217 ( -0.000 0.000 0.000) 0.000 2.217 ( -0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 -0.000) 0.000 2.270 ( -0.000 0.000 0.000) 0.000 2.333 ( -0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 -0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.619 ( -0.000 -0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.620 ( -0.000 0.000 -0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 5.431 ( -0.000 0.000 0.000) 0.000 5.431 ( -0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 -0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 6.608 ( -0.000 -0.000 0.000) 0.000 6.608 ( -0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 -0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 -0.000) 0.000 7.876 ( -0.000 0.000 0.000) 0.000 16.760 ( -0.000 -0.000 0.000) 0.000 16.760 ( -0.000 0.000 0.000) 0.000 16.761 ( 0.000 -0.000 -0.000) 0.000 16.761 ( 0.000 0.000 -0.000) 0.000 18.039 ( 0.000 0.000 -0.000) 0.000 18.039 ( 0.000 0.000 0.000) 0.000 18.096 ( -0.000 0.000 0.000) 0.000 18.096 ( -0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 160 (85/87) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -2.066 -4.417 -3.707) 6.125 0.851 ( -2.066 4.417 -3.707) 6.125 0.934 ( -0.445 -1.929 1.073) 2.251 0.934 ( -0.445 1.929 1.073) 2.251 1.176 ( 1.776 -2.617 -1.749) 3.614 1.176 ( 1.776 2.617 -1.749) 3.614 1.377 ( 3.003 -2.887 2.750) 4.991 1.377 ( 3.003 2.887 2.750) 4.991 1.468 ( -0.181 -0.280 -0.930) 0.988 1.468 ( -0.181 0.280 -0.930) 0.988 1.582 ( -3.551 -1.505 0.348) 3.872 1.582 ( -3.551 1.505 0.348) 3.872 1.750 ( -1.992 -1.665 2.501) 3.605 1.750 ( -1.992 1.665 2.501) 3.605 1.862 ( 3.954 -2.730 -1.856) 5.151 1.862 ( 3.954 2.730 -1.856) 5.151 2.031 ( -3.112 -0.992 -3.839) 5.040 2.031 ( -3.112 0.992 -3.839) 5.040 2.177 ( -4.230 -1.440 0.646) 4.515 2.177 ( -4.230 1.440 0.646) 4.515 2.274 ( 1.791 -1.045 1.982) 2.869 2.274 ( 1.791 1.045 1.982) 2.869 2.409 ( 4.727 -1.886 -0.153) 5.092 2.409 ( 4.727 1.886 -0.153) 5.092 3.233 ( 2.020 -0.632 -8.552) 8.810 3.233 ( 2.020 0.632 -8.552) 8.811 3.248 ( -2.480 -0.587 8.828) 9.189 3.248 ( -2.480 0.587 8.828) 9.189 4.118 ( -0.261 -0.220 0.086) 0.352 4.118 ( -0.261 0.220 0.086) 0.352 4.156 ( 0.060 -0.342 0.050) 0.351 4.156 ( 0.060 0.342 0.050) 0.351 4.604 ( -0.922 -0.330 -0.164) 0.993 4.604 ( -0.922 0.330 -0.164) 0.993 4.623 ( -0.250 -0.440 0.230) 0.556 4.623 ( -0.250 0.440 0.230) 0.556 5.427 ( -1.314 -0.111 3.934) 4.149 5.427 ( -1.314 0.111 3.934) 4.149 5.457 ( 1.544 -0.482 -3.935) 4.255 5.457 ( 1.544 0.482 -3.935) 4.255 6.602 ( -0.364 -0.340 0.087) 0.505 6.602 ( -0.364 0.340 0.087) 0.505 6.621 ( 0.307 -0.199 -0.103) 0.380 6.621 ( 0.307 0.199 -0.103) 0.380 7.859 ( -0.174 -0.008 0.302) 0.348 7.859 ( -0.174 0.008 0.302) 0.348 7.875 ( -0.014 -0.062 -0.283) 0.290 7.875 ( -0.014 0.062 -0.283) 0.290 16.735 ( -0.525 -0.893 -3.126) 3.293 16.735 ( -0.525 0.893 -3.126) 3.293 16.773 ( -0.642 -1.436 3.040) 3.423 16.773 ( -0.642 1.436 3.040) 3.423 18.058 ( 0.705 -0.354 4.117) 4.192 18.058 ( 0.705 0.354 4.117) 4.192 18.113 ( 2.119 -1.608 -1.829) 3.228 18.113 ( 2.119 1.608 -1.829) 3.228 19.456 ( -0.384 -0.219 -0.071) 0.448 19.456 ( -0.384 0.219 -0.071) 0.448 19.570 ( -1.418 -0.168 -0.935) 1.707 19.570 ( -1.418 0.168 -0.935) 1.707 ======================= Grid point 162 (86/87) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.507 -6.224 -3.958) 7.528 0.791 ( -1.507 6.224 -3.958) 7.528 0.907 ( -2.529 -1.021 0.027) 2.728 0.907 ( -2.529 1.021 0.027) 2.728 1.227 ( 3.255 -2.499 0.359) 4.119 1.227 ( 3.255 2.499 0.359) 4.119 1.417 ( 0.560 -0.958 -3.651) 3.816 1.417 ( 0.560 0.958 -3.651) 3.816 1.479 ( 1.470 -0.596 2.174) 2.691 1.479 ( 1.470 0.596 2.174) 2.691 1.540 ( -1.298 -0.908 3.519) 3.859 1.540 ( -1.298 0.908 3.519) 3.859 1.718 ( -2.241 -2.283 0.044) 3.199 1.718 ( -2.241 2.283 0.044) 3.199 1.916 ( 1.301 -1.239 -0.014) 1.797 1.916 ( 1.301 1.239 -0.014) 1.797 1.954 ( -1.408 -0.641 -4.243) 4.516 1.954 ( -1.408 0.641 -4.243) 4.516 2.107 ( -2.970 -2.042 1.084) 3.764 2.107 ( -2.970 2.042 1.084) 3.764 2.319 ( 1.638 -0.755 1.075) 2.099 2.319 ( 1.638 0.755 1.075) 2.099 2.487 ( 3.158 -1.509 -0.262) 3.510 2.487 ( 3.158 1.509 -0.262) 3.510 3.227 ( 2.486 -0.621 -9.874) 10.201 3.227 ( 2.486 0.621 -9.874) 10.201 3.244 ( -3.121 -0.575 10.252) 10.732 3.244 ( -3.121 0.575 10.252) 10.732 4.114 ( -0.201 -0.254 0.155) 0.359 4.114 ( -0.201 0.254 0.155) 0.359 4.156 ( -0.068 -0.409 0.010) 0.415 4.156 ( -0.068 0.409 0.010) 0.415 4.585 ( -0.860 -0.230 -0.039) 0.891 4.585 ( -0.860 0.230 -0.039) 0.891 4.614 ( -0.618 -0.358 0.120) 0.724 4.614 ( -0.618 0.358 0.120) 0.724 5.424 ( -0.987 -0.128 3.512) 3.650 5.424 ( -0.987 0.128 3.512) 3.650 5.465 ( 1.291 -0.489 -3.492) 3.755 5.465 ( 1.291 0.489 -3.492) 3.755 6.598 ( -0.087 -0.287 0.114) 0.320 6.598 ( -0.087 0.287 0.114) 0.320 6.623 ( 0.030 -0.150 -0.131) 0.202 6.623 ( 0.030 0.150 -0.131) 0.202 7.857 ( -0.214 -0.012 0.380) 0.436 7.857 ( -0.214 0.012 0.380) 0.436 7.873 ( -0.020 -0.078 -0.356) 0.365 7.873 ( -0.020 0.078 -0.356) 0.365 16.710 ( -0.514 -0.443 -2.200) 2.302 16.710 ( -0.514 0.443 -2.200) 2.302 16.769 ( -1.040 -1.128 2.027) 2.542 16.769 ( -1.040 1.128 2.027) 2.542 18.103 ( 0.773 -0.877 6.389) 6.495 18.103 ( 0.773 0.877 6.389) 6.495 18.150 ( 2.767 -2.498 -3.480) 5.099 18.150 ( 2.767 2.498 -3.480) 5.099 19.449 ( -0.190 -0.365 0.111) 0.426 19.449 ( -0.190 0.365 0.111) 0.426 19.528 ( -2.044 -0.264 -1.393) 2.487 19.528 ( -2.044 0.264 -1.393) 2.487 ======================= Grid point 164 (87/87) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.036 -3.744 -1.889) 4.194 0.761 ( 0.036 3.744 -1.889) 4.194 0.854 ( -2.120 -1.338 -0.023) 2.507 0.854 ( -2.120 1.338 -0.023) 2.507 1.276 ( 0.869 -0.628 1.064) 1.510 1.276 ( 0.869 0.628 1.064) 1.510 1.425 ( 2.583 -1.406 -3.651) 4.688 1.425 ( 2.583 1.406 -3.651) 4.688 1.491 ( -1.207 -0.189 1.922) 2.277 1.491 ( -1.207 0.189 1.922) 2.277 1.557 ( 0.211 -0.189 2.398) 2.415 1.557 ( 0.211 0.189 2.398) 2.415 1.676 ( -1.125 -0.758 -0.596) 1.482 1.676 ( -1.125 0.758 -0.596) 1.482 1.883 ( -1.471 -0.907 -1.301) 2.163 1.883 ( -1.471 0.907 -1.301) 2.163 1.968 ( 1.294 -1.948 -0.271) 2.354 1.968 ( 1.294 1.948 -0.271) 2.354 2.073 ( -1.031 -1.263 0.418) 1.683 2.073 ( -1.031 1.263 0.418) 1.683 2.345 ( 0.589 -0.288 0.304) 0.723 2.345 ( 0.589 0.288 0.304) 0.723 2.527 ( 1.056 -0.587 -0.166) 1.219 2.527 ( 1.056 0.587 -0.166) 1.219 3.226 ( 1.604 -0.363 -6.006) 6.228 3.226 ( 1.604 0.363 -6.006) 6.228 3.237 ( -1.911 -0.360 6.188) 6.486 3.237 ( -1.911 0.360 6.188) 6.486 4.112 ( -0.055 -0.124 0.086) 0.160 4.112 ( -0.055 0.124 0.086) 0.160 4.154 ( -0.072 -0.192 -0.015) 0.205 4.154 ( -0.072 0.192 -0.015) 0.205 4.573 ( -0.332 -0.086 0.010) 0.343 4.573 ( -0.332 0.086 0.010) 0.343 4.604 ( -0.332 -0.140 0.027) 0.362 4.604 ( -0.332 0.140 0.027) 0.362 5.425 ( -0.341 -0.085 1.417) 1.460 5.425 ( -0.341 0.085 1.417) 1.460 5.470 ( 0.483 -0.209 -1.401) 1.496 5.470 ( 0.483 0.209 -1.401) 1.496 6.599 ( 0.054 -0.129 0.069) 0.156 6.599 ( 0.054 0.129 0.069) 0.156 6.622 ( -0.075 -0.087 -0.076) 0.138 6.622 ( -0.075 0.087 -0.076) 0.138 7.855 ( -0.095 -0.006 0.171) 0.196 7.855 ( -0.095 0.006 0.171) 0.196 7.871 ( -0.009 -0.035 -0.160) 0.164 7.871 ( -0.009 0.035 -0.160) 0.164 16.694 ( -0.219 -0.122 -0.798) 0.836 16.694 ( -0.219 0.122 -0.798) 0.836 16.759 ( -0.506 -0.429 0.701) 0.965 16.759 ( -0.506 0.429 0.701) 0.965 18.145 ( 0.179 -0.990 4.464) 4.575 18.145 ( 0.179 0.990 4.464) 4.575 18.175 ( 1.402 -1.716 -3.152) 3.853 18.175 ( 1.402 1.716 -3.152) 3.853 19.455 ( 0.648 -0.405 0.613) 0.980 19.455 ( 0.648 0.405 0.613) 0.980 19.483 ( -1.637 -0.349 -1.193) 2.055 19.483 ( -1.637 0.349 -1.193) 2.055 =================== 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 3/13440 10.0 7.593 8.193 10.134 0.000 0.447 0.000 3/13440 20.0 2.078 2.226 3.985 0.000 -0.267 0.000 3/13440 30.0 1.196 1.242 2.487 0.000 -0.238 0.000 3/13440 40.0 0.858 0.871 1.882 0.000 -0.212 0.000 3/13440 50.0 0.677 0.675 1.559 0.000 -0.195 0.000 3/13440 60.0 0.562 0.553 1.353 0.000 -0.182 0.000 3/13440 70.0 0.483 0.469 1.205 0.000 -0.171 0.000 3/13440 80.0 0.423 0.408 1.090 0.000 -0.161 0.000 3/13440 90.0 0.377 0.361 0.997 0.000 -0.152 0.000 3/13440 100.0 0.341 0.324 0.919 0.000 -0.143 0.000 3/13440 110.0 0.311 0.294 0.853 0.000 -0.135 0.000 3/13440 120.0 0.286 0.269 0.796 0.000 -0.128 0.000 3/13440 130.0 0.265 0.248 0.747 0.000 -0.121 0.000 3/13440 140.0 0.246 0.230 0.703 0.000 -0.116 0.000 3/13440 150.0 0.230 0.215 0.665 0.000 -0.110 0.000 3/13440 160.0 0.217 0.201 0.631 0.000 -0.105 0.000 3/13440 170.0 0.204 0.190 0.600 0.000 -0.101 0.000 3/13440 180.0 0.193 0.179 0.572 0.000 -0.097 0.000 3/13440 190.0 0.184 0.170 0.547 0.000 -0.093 0.000 3/13440 200.0 0.175 0.161 0.524 0.000 -0.090 0.000 3/13440 210.0 0.167 0.154 0.504 0.000 -0.087 0.000 3/13440 220.0 0.160 0.147 0.484 0.000 -0.084 0.000 3/13440 230.0 0.153 0.140 0.467 0.000 -0.081 0.000 3/13440 240.0 0.147 0.135 0.450 0.000 -0.078 0.000 3/13440 250.0 0.141 0.129 0.435 0.000 -0.076 0.000 3/13440 260.0 0.136 0.124 0.421 0.000 -0.074 0.000 3/13440 270.0 0.131 0.120 0.408 0.000 -0.072 0.000 3/13440 280.0 0.127 0.116 0.396 0.000 -0.070 0.000 3/13440 290.0 0.123 0.112 0.384 0.000 -0.068 0.000 3/13440 300.0 0.119 0.108 0.374 0.000 -0.066 0.000 3/13440 310.0 0.115 0.105 0.363 0.000 -0.065 0.000 3/13440 320.0 0.112 0.101 0.354 0.000 -0.063 0.000 3/13440 330.0 0.109 0.098 0.345 0.000 -0.061 0.000 3/13440 340.0 0.105 0.096 0.336 0.000 -0.060 0.000 3/13440 350.0 0.103 0.093 0.328 0.000 -0.059 0.000 3/13440 360.0 0.100 0.090 0.320 0.000 -0.057 0.000 3/13440 370.0 0.097 0.088 0.313 0.000 -0.056 0.000 3/13440 380.0 0.095 0.086 0.306 0.000 -0.055 0.000 3/13440 390.0 0.093 0.083 0.299 0.000 -0.054 0.000 3/13440 400.0 0.090 0.081 0.293 0.000 -0.053 0.000 3/13440 410.0 0.088 0.080 0.287 0.000 -0.052 0.000 3/13440 420.0 0.086 0.078 0.281 0.000 -0.051 0.000 3/13440 430.0 0.084 0.076 0.275 0.000 -0.050 0.000 3/13440 440.0 0.083 0.074 0.270 0.000 -0.049 0.000 3/13440 450.0 0.081 0.073 0.265 0.000 -0.048 0.000 3/13440 460.0 0.079 0.071 0.260 0.000 -0.047 0.000 3/13440 470.0 0.078 0.070 0.255 0.000 -0.046 0.000 3/13440 480.0 0.076 0.068 0.250 0.000 -0.046 0.000 3/13440 490.0 0.075 0.067 0.246 0.000 -0.045 0.000 3/13440 500.0 0.073 0.065 0.242 0.000 -0.044 0.000 3/13440 510.0 0.072 0.064 0.238 0.000 -0.043 0.000 3/13440 520.0 0.070 0.063 0.234 0.000 -0.043 0.000 3/13440 530.0 0.069 0.062 0.230 0.000 -0.042 0.000 3/13440 540.0 0.068 0.061 0.226 0.000 -0.042 0.000 3/13440 550.0 0.067 0.060 0.222 0.000 -0.041 0.000 3/13440 560.0 0.066 0.059 0.219 0.000 -0.040 0.000 3/13440 570.0 0.065 0.058 0.216 0.000 -0.040 0.000 3/13440 580.0 0.063 0.057 0.212 0.000 -0.039 0.000 3/13440 590.0 0.062 0.056 0.209 0.000 -0.039 0.000 3/13440 600.0 0.061 0.055 0.206 0.000 -0.038 0.000 3/13440 610.0 0.060 0.054 0.203 0.000 -0.038 0.000 3/13440 620.0 0.060 0.053 0.200 0.000 -0.037 0.000 3/13440 630.0 0.059 0.052 0.198 0.000 -0.037 0.000 3/13440 640.0 0.058 0.051 0.195 0.000 -0.036 0.000 3/13440 650.0 0.057 0.051 0.192 0.000 -0.036 0.000 3/13440 660.0 0.056 0.050 0.190 0.000 -0.035 0.000 3/13440 670.0 0.055 0.049 0.187 0.000 -0.035 0.000 3/13440 680.0 0.055 0.048 0.185 0.000 -0.034 0.000 3/13440 690.0 0.054 0.048 0.182 0.000 -0.034 0.000 3/13440 700.0 0.053 0.047 0.180 0.000 -0.033 0.000 3/13440 710.0 0.052 0.046 0.178 0.000 -0.033 0.000 3/13440 720.0 0.052 0.046 0.176 0.000 -0.033 0.000 3/13440 730.0 0.051 0.045 0.174 0.000 -0.032 0.000 3/13440 740.0 0.050 0.045 0.172 0.000 -0.032 0.000 3/13440 750.0 0.050 0.044 0.169 0.000 -0.032 0.000 3/13440 760.0 0.049 0.043 0.168 0.000 -0.031 0.000 3/13440 770.0 0.048 0.043 0.166 0.000 -0.031 0.000 3/13440 780.0 0.048 0.042 0.164 0.000 -0.031 0.000 3/13440 790.0 0.047 0.042 0.162 0.000 -0.030 0.000 3/13440 800.0 0.047 0.041 0.160 0.000 -0.030 0.000 3/13440 810.0 0.046 0.041 0.158 0.000 -0.030 0.000 3/13440 820.0 0.046 0.040 0.157 0.000 -0.029 0.000 3/13440 830.0 0.045 0.040 0.155 0.000 -0.029 0.000 3/13440 840.0 0.045 0.039 0.153 0.000 -0.029 0.000 3/13440 850.0 0.044 0.039 0.152 0.000 -0.028 0.000 3/13440 860.0 0.044 0.039 0.150 0.000 -0.028 0.000 3/13440 870.0 0.043 0.038 0.149 0.000 -0.028 0.000 3/13440 880.0 0.043 0.038 0.147 0.000 -0.028 0.000 3/13440 890.0 0.042 0.037 0.146 0.000 -0.027 0.000 3/13440 900.0 0.042 0.037 0.144 0.000 -0.027 0.000 3/13440 910.0 0.041 0.036 0.143 0.000 -0.027 0.000 3/13440 920.0 0.041 0.036 0.141 0.000 -0.027 0.000 3/13440 930.0 0.040 0.036 0.140 0.000 -0.026 0.000 3/13440 940.0 0.040 0.035 0.139 0.000 -0.026 0.000 3/13440 950.0 0.040 0.035 0.137 0.000 -0.026 0.000 3/13440 960.0 0.039 0.035 0.136 0.000 -0.026 0.000 3/13440 970.0 0.039 0.034 0.135 0.000 -0.025 0.000 3/13440 980.0 0.038 0.034 0.134 0.000 -0.025 0.000 3/13440 990.0 0.038 0.034 0.132 0.000 -0.025 0.000 3/13440 1000.0 0.038 0.033 0.131 0.000 -0.025 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m748.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|