----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:02:19]------------------------- 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/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.688541761756113 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.127397494248689 0.000000000000000 7.788863622692086 Atomic positions (fractional): *1 Na 0.65773713822210 0.51975356458530 0.66530801895471 22.990 2 Na 0.34226286177790 0.01975356458530 0.33469198104529 22.990 3 Na 0.34226286177790 0.48024643541470 0.33469198104529 22.990 4 Na 0.65773713822210 0.98024643541470 0.66530801895471 22.990 *5 Na 0.97512487816832 0.25000000000000 0.52517363010789 22.990 6 Na 0.02487512183168 0.75000000000000 0.47482636989211 22.990 *7 Na 0.67081845271197 0.25000000000000 0.16096888437886 22.990 8 Na 0.32918154728803 0.75000000000000 0.83903111562114 22.990 *9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 *11 In 0.35965612376088 0.25000000000000 0.82383933043917 114.818 12 In 0.64034387623912 0.75000000000000 0.17616066956083 114.818 *13 S 0.23015382971109 0.01936064991074 0.67226293849870 32.065 14 S 0.76984617028891 0.51936064991074 0.32773706150130 32.065 15 S 0.76984617028891 0.98063935008926 0.32773706150130 32.065 16 S 0.23015382971109 0.48063935008926 0.67226293849870 32.065 *17 S 0.73044325785867 0.25000000000000 0.82090344489149 32.065 18 S 0.26955674214133 0.75000000000000 0.17909655510851 32.065 *19 S 0.23683880545033 0.25000000000000 0.12131614305549 32.065 20 S 0.76316119454967 0.75000000000000 0.87868385694451 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.688541761756113 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.127397494248689 0.000000000000000 7.788863622692086 Atomic positions (fractional): *1 Na 0.65773713822210 0.51975356458530 0.66530801895471 22.990 > 1 2 Na 0.34226286177790 0.01975356458530 0.33469198104529 22.990 > 2 3 Na 0.34226286177790 0.48024643541470 0.33469198104529 22.990 > 3 4 Na 0.65773713822210 0.98024643541470 0.66530801895471 22.990 > 4 *5 Na 0.97512487816832 0.25000000000000 0.52517363010789 22.990 > 5 6 Na 0.02487512183168 0.75000000000000 0.47482636989211 22.990 > 6 *7 Na 0.67081845271197 0.25000000000000 0.16096888437886 22.990 > 7 8 Na 0.32918154728803 0.75000000000000 0.83903111562114 22.990 > 8 *9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 9 10 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 10 *11 In 0.35965612376088 0.25000000000000 0.82383933043917 114.818 > 11 12 In 0.64034387623912 0.75000000000000 0.17616066956083 114.818 > 12 *13 S 0.23015382971109 0.01936064991074 0.67226293849870 32.065 > 13 14 S 0.76984617028891 0.51936064991074 0.32773706150130 32.065 > 14 15 S 0.76984617028891 0.98063935008926 0.32773706150130 32.065 > 15 16 S 0.23015382971109 0.48063935008926 0.67226293849870 32.065 > 16 *17 S 0.73044325785867 0.25000000000000 0.82090344489149 32.065 > 17 18 S 0.26955674214133 0.75000000000000 0.17909655510851 32.065 > 18 *19 S 0.23683880545033 0.25000000000000 0.12131614305549 32.065 > 19 20 S 0.76316119454967 0.75000000000000 0.87868385694451 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.377083523512226 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.254794988497378 0.000000000000000 15.577727245384173 Atomic positions (fractional): *1 Na 0.32886856911105 0.51975356458530 0.33265400947736 22.990 > 1 2 Na 0.82886856911105 0.51975356458530 0.33265400947736 22.990 > 1 3 Na 0.32886856911105 0.51975356458530 0.83265400947736 22.990 > 1 4 Na 0.82886856911105 0.51975356458530 0.83265400947736 22.990 > 1 5 Na 0.17113143088895 0.01975356458530 0.16734599052264 22.990 > 2 6 Na 0.67113143088895 0.01975356458530 0.16734599052264 22.990 > 2 7 Na 0.17113143088895 0.01975356458530 0.66734599052264 22.990 > 2 8 Na 0.67113143088895 0.01975356458530 0.66734599052264 22.990 > 2 9 Na 0.17113143088895 0.48024643541470 0.16734599052264 22.990 > 3 10 Na 0.67113143088895 0.48024643541470 0.16734599052264 22.990 > 3 11 Na 0.17113143088895 0.48024643541470 0.66734599052264 22.990 > 3 12 Na 0.67113143088895 0.48024643541470 0.66734599052264 22.990 > 3 13 Na 0.32886856911105 0.98024643541470 0.33265400947736 22.990 > 4 14 Na 0.82886856911105 0.98024643541470 0.33265400947736 22.990 > 4 15 Na 0.32886856911105 0.98024643541470 0.83265400947736 22.990 > 4 16 Na 0.82886856911105 0.98024643541470 0.83265400947736 22.990 > 4 *17 Na 0.48756243908416 0.25000000000000 0.26258681505395 22.990 > 5 18 Na 0.98756243908416 0.25000000000000 0.26258681505395 22.990 > 5 19 Na 0.48756243908416 0.25000000000000 0.76258681505395 22.990 > 5 20 Na 0.98756243908416 0.25000000000000 0.76258681505395 22.990 > 5 21 Na 0.01243756091584 0.75000000000000 0.23741318494605 22.990 > 6 22 Na 0.51243756091584 0.75000000000000 0.23741318494605 22.990 > 6 23 Na 0.01243756091584 0.75000000000000 0.73741318494605 22.990 > 6 24 Na 0.51243756091584 0.75000000000000 0.73741318494605 22.990 > 6 *25 Na 0.33540922635598 0.25000000000000 0.08048444218943 22.990 > 7 26 Na 0.83540922635598 0.25000000000000 0.08048444218943 22.990 > 7 27 Na 0.33540922635598 0.25000000000000 0.58048444218943 22.990 > 7 28 Na 0.83540922635598 0.25000000000000 0.58048444218943 22.990 > 7 29 Na 0.16459077364402 0.75000000000000 0.41951555781057 22.990 > 8 30 Na 0.66459077364402 0.75000000000000 0.41951555781057 22.990 > 8 31 Na 0.16459077364402 0.75000000000000 0.91951555781057 22.990 > 8 32 Na 0.66459077364402 0.75000000000000 0.91951555781057 22.990 > 8 *33 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 9 34 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 9 35 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 9 36 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 9 37 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 10 38 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 10 39 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 10 40 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 10 *41 In 0.17982806188044 0.25000000000000 0.41191966521958 114.818 > 11 42 In 0.67982806188044 0.25000000000000 0.41191966521958 114.818 > 11 43 In 0.17982806188044 0.25000000000000 0.91191966521958 114.818 > 11 44 In 0.67982806188044 0.25000000000000 0.91191966521958 114.818 > 11 45 In 0.32017193811956 0.75000000000000 0.08808033478042 114.818 > 12 46 In 0.82017193811956 0.75000000000000 0.08808033478042 114.818 > 12 47 In 0.32017193811956 0.75000000000000 0.58808033478042 114.818 > 12 48 In 0.82017193811956 0.75000000000000 0.58808033478042 114.818 > 12 *49 S 0.11507691485554 0.01936064991074 0.33613146924935 32.065 > 13 50 S 0.61507691485555 0.01936064991074 0.33613146924935 32.065 > 13 51 S 0.11507691485554 0.01936064991074 0.83613146924935 32.065 > 13 52 S 0.61507691485555 0.01936064991074 0.83613146924935 32.065 > 13 53 S 0.38492308514446 0.51936064991074 0.16386853075065 32.065 > 14 54 S 0.88492308514445 0.51936064991074 0.16386853075065 32.065 > 14 55 S 0.38492308514446 0.51936064991074 0.66386853075065 32.065 > 14 56 S 0.88492308514445 0.51936064991074 0.66386853075065 32.065 > 14 57 S 0.38492308514446 0.98063935008926 0.16386853075065 32.065 > 15 58 S 0.88492308514445 0.98063935008926 0.16386853075065 32.065 > 15 59 S 0.38492308514446 0.98063935008926 0.66386853075065 32.065 > 15 60 S 0.88492308514445 0.98063935008926 0.66386853075065 32.065 > 15 61 S 0.11507691485554 0.48063935008926 0.33613146924935 32.065 > 16 62 S 0.61507691485555 0.48063935008926 0.33613146924935 32.065 > 16 63 S 0.11507691485554 0.48063935008926 0.83613146924935 32.065 > 16 64 S 0.61507691485555 0.48063935008926 0.83613146924935 32.065 > 16 *65 S 0.36522162892934 0.25000000000000 0.41045172244574 32.065 > 17 66 S 0.86522162892934 0.25000000000000 0.41045172244574 32.065 > 17 67 S 0.36522162892934 0.25000000000000 0.91045172244574 32.065 > 17 68 S 0.86522162892934 0.25000000000000 0.91045172244574 32.065 > 17 69 S 0.13477837107066 0.75000000000000 0.08954827755426 32.065 > 18 70 S 0.63477837107066 0.75000000000000 0.08954827755426 32.065 > 18 71 S 0.13477837107066 0.75000000000000 0.58954827755426 32.065 > 18 72 S 0.63477837107066 0.75000000000000 0.58954827755426 32.065 > 18 *73 S 0.11841940272517 0.25000000000000 0.06065807152775 32.065 > 19 74 S 0.61841940272517 0.25000000000000 0.06065807152775 32.065 > 19 75 S 0.11841940272517 0.25000000000000 0.56065807152775 32.065 > 19 76 S 0.61841940272517 0.25000000000000 0.56065807152775 32.065 > 19 77 S 0.38158059727483 0.75000000000000 0.43934192847225 32.065 > 20 78 S 0.88158059727483 0.75000000000000 0.43934192847225 32.065 > 20 79 S 0.38158059727483 0.75000000000000 0.93934192847225 32.065 > 20 80 S 0.88158059727483 0.75000000000000 0.93934192847225 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4287944 0.0000000 0.0087514 0.0000000 4.2543960 0.0000000 0.0087518 0.0000000 4.1162357 -------------------------- Born effective charges -------------------------- 1 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 2 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 3 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 4 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 5 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 6 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 7 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 8 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 9 Na 1.2684075 -0.0824001 0.0723956 0.1056963 1.1618417 -0.1877279 -0.0876064 -0.2565166 0.9453450 10 Na 1.2684075 0.0824001 0.0723956 -0.1056963 1.1618417 0.1877279 -0.0876064 0.2565166 0.9453450 11 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 12 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 13 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 14 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 15 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 16 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 17 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 18 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 19 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 20 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 ---------------------------------------------------------------------------- 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: 1988 Number of blocks in projector: 1988 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: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 235 eigenvectors found. (2) Block: 504 / 504 (2) 242 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1937), data: False |-- (292, 284), data: True |-- (292, 284), data: True |-- (292, 284), data: True |-- (304, 298), data: True |-- (304, 298), data: True |-- (504, 489), data: False |-- (504, 489), data: False |-- (504, 12), data: (504, 27) @ (27, 12) |-- (254, 242), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.382 Solver_block: 200 / 640 - Time: 2.346 Solver_block: 300 / 640 - Time: 2.340 Solver_block: 400 / 640 - Time: 2.346 Solver_block: 500 / 640 - Time: 2.344 Solver_block: 600 / 640 - Time: 2.343 Solver_block: 640 / 640 - Time: 0.999 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 1988 Number of blocks in projector: 1988 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: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 235 eigenvectors found. (2) Block: 504 / 504 (2) 242 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1937), data: False |-- (292, 284), data: True |-- (292, 284), data: True |-- (292, 284), data: True |-- (304, 298), data: True |-- (304, 298), data: True |-- (504, 489), data: False |-- (504, 489), data: False |-- (504, 12), data: (504, 27) @ (27, 12) |-- (254, 242), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:02:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:02:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.688541761756113 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.127397494248689 0.000000000000000 7.788863622692086 Atomic positions (fractional): 1 Na 0.65773713822210 0.51975356458530 0.66530801895471 22.990 2 Na 0.34226286177790 0.01975356458530 0.33469198104529 22.990 3 Na 0.34226286177790 0.48024643541470 0.33469198104529 22.990 4 Na 0.65773713822210 0.98024643541470 0.66530801895471 22.990 5 Na 0.97512487816832 0.25000000000000 0.52517363010789 22.990 6 Na 0.02487512183168 0.75000000000000 0.47482636989211 22.990 7 Na 0.67081845271197 0.25000000000000 0.16096888437886 22.990 8 Na 0.32918154728803 0.75000000000000 0.83903111562114 22.990 9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 11 In 0.35965612376088 0.25000000000000 0.82383933043917 114.818 12 In 0.64034387623912 0.75000000000000 0.17616066956083 114.818 13 S 0.23015382971109 0.01936064991074 0.67226293849870 32.065 14 S 0.76984617028891 0.51936064991074 0.32773706150130 32.065 15 S 0.76984617028891 0.98063935008926 0.32773706150130 32.065 16 S 0.23015382971109 0.48063935008926 0.67226293849870 32.065 17 S 0.73044325785867 0.25000000000000 0.82090344489149 32.065 18 S 0.26955674214133 0.75000000000000 0.17909655510851 32.065 19 S 0.23683880545033 0.25000000000000 0.12131614305549 32.065 20 S 0.76316119454967 0.75000000000000 0.87868385694451 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.377083523512226 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.254794988497378 0.000000000000000 15.577727245384173 Atomic positions (fractional): 1 Na 0.32886856911105 0.51975356458530 0.33265400947736 22.990 > 1 2 Na 0.82886856911105 0.51975356458530 0.33265400947736 22.990 > 1 3 Na 0.32886856911105 0.51975356458530 0.83265400947736 22.990 > 1 4 Na 0.82886856911105 0.51975356458530 0.83265400947736 22.990 > 1 5 Na 0.17113143088895 0.01975356458530 0.16734599052264 22.990 > 5 6 Na 0.67113143088895 0.01975356458530 0.16734599052264 22.990 > 5 7 Na 0.17113143088895 0.01975356458530 0.66734599052264 22.990 > 5 8 Na 0.67113143088895 0.01975356458530 0.66734599052264 22.990 > 5 9 Na 0.17113143088895 0.48024643541470 0.16734599052264 22.990 > 9 10 Na 0.67113143088895 0.48024643541470 0.16734599052264 22.990 > 9 11 Na 0.17113143088895 0.48024643541470 0.66734599052264 22.990 > 9 12 Na 0.67113143088895 0.48024643541470 0.66734599052264 22.990 > 9 13 Na 0.32886856911105 0.98024643541470 0.33265400947736 22.990 > 13 14 Na 0.82886856911105 0.98024643541470 0.33265400947736 22.990 > 13 15 Na 0.32886856911105 0.98024643541470 0.83265400947736 22.990 > 13 16 Na 0.82886856911105 0.98024643541470 0.83265400947736 22.990 > 13 17 Na 0.48756243908416 0.25000000000000 0.26258681505395 22.990 > 17 18 Na 0.98756243908416 0.25000000000000 0.26258681505395 22.990 > 17 19 Na 0.48756243908416 0.25000000000000 0.76258681505395 22.990 > 17 20 Na 0.98756243908416 0.25000000000000 0.76258681505395 22.990 > 17 21 Na 0.01243756091584 0.75000000000000 0.23741318494605 22.990 > 21 22 Na 0.51243756091584 0.75000000000000 0.23741318494605 22.990 > 21 23 Na 0.01243756091584 0.75000000000000 0.73741318494605 22.990 > 21 24 Na 0.51243756091584 0.75000000000000 0.73741318494605 22.990 > 21 25 Na 0.33540922635598 0.25000000000000 0.08048444218943 22.990 > 25 26 Na 0.83540922635598 0.25000000000000 0.08048444218943 22.990 > 25 27 Na 0.33540922635598 0.25000000000000 0.58048444218943 22.990 > 25 28 Na 0.83540922635598 0.25000000000000 0.58048444218943 22.990 > 25 29 Na 0.16459077364402 0.75000000000000 0.41951555781057 22.990 > 29 30 Na 0.66459077364402 0.75000000000000 0.41951555781057 22.990 > 29 31 Na 0.16459077364402 0.75000000000000 0.91951555781057 22.990 > 29 32 Na 0.66459077364402 0.75000000000000 0.91951555781057 22.990 > 29 33 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 33 34 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 33 35 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 33 36 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 33 37 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 37 38 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 37 39 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 37 40 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 37 41 In 0.17982806188044 0.25000000000000 0.41191966521958 114.818 > 41 42 In 0.67982806188044 0.25000000000000 0.41191966521958 114.818 > 41 43 In 0.17982806188044 0.25000000000000 0.91191966521958 114.818 > 41 44 In 0.67982806188044 0.25000000000000 0.91191966521958 114.818 > 41 45 In 0.32017193811956 0.75000000000000 0.08808033478042 114.818 > 45 46 In 0.82017193811956 0.75000000000000 0.08808033478042 114.818 > 45 47 In 0.32017193811956 0.75000000000000 0.58808033478042 114.818 > 45 48 In 0.82017193811956 0.75000000000000 0.58808033478042 114.818 > 45 49 S 0.11507691485554 0.01936064991074 0.33613146924935 32.065 > 49 50 S 0.61507691485555 0.01936064991074 0.33613146924935 32.065 > 49 51 S 0.11507691485554 0.01936064991074 0.83613146924935 32.065 > 49 52 S 0.61507691485555 0.01936064991074 0.83613146924935 32.065 > 49 53 S 0.38492308514446 0.51936064991074 0.16386853075065 32.065 > 53 54 S 0.88492308514445 0.51936064991074 0.16386853075065 32.065 > 53 55 S 0.38492308514446 0.51936064991074 0.66386853075065 32.065 > 53 56 S 0.88492308514445 0.51936064991074 0.66386853075065 32.065 > 53 57 S 0.38492308514446 0.98063935008926 0.16386853075065 32.065 > 57 58 S 0.88492308514445 0.98063935008926 0.16386853075065 32.065 > 57 59 S 0.38492308514446 0.98063935008926 0.66386853075065 32.065 > 57 60 S 0.88492308514445 0.98063935008926 0.66386853075065 32.065 > 57 61 S 0.11507691485554 0.48063935008926 0.33613146924935 32.065 > 61 62 S 0.61507691485555 0.48063935008926 0.33613146924935 32.065 > 61 63 S 0.11507691485554 0.48063935008926 0.83613146924935 32.065 > 61 64 S 0.61507691485555 0.48063935008926 0.83613146924935 32.065 > 61 65 S 0.36522162892934 0.25000000000000 0.41045172244574 32.065 > 65 66 S 0.86522162892934 0.25000000000000 0.41045172244574 32.065 > 65 67 S 0.36522162892934 0.25000000000000 0.91045172244574 32.065 > 65 68 S 0.86522162892934 0.25000000000000 0.91045172244574 32.065 > 65 69 S 0.13477837107066 0.75000000000000 0.08954827755426 32.065 > 69 70 S 0.63477837107066 0.75000000000000 0.08954827755426 32.065 > 69 71 S 0.13477837107066 0.75000000000000 0.58954827755426 32.065 > 69 72 S 0.63477837107066 0.75000000000000 0.58954827755426 32.065 > 69 73 S 0.11841940272517 0.25000000000000 0.06065807152775 32.065 > 73 74 S 0.61841940272517 0.25000000000000 0.06065807152775 32.065 > 73 75 S 0.11841940272517 0.25000000000000 0.56065807152775 32.065 > 73 76 S 0.61841940272517 0.25000000000000 0.56065807152775 32.065 > 73 77 S 0.38158059727483 0.75000000000000 0.43934192847225 32.065 > 77 78 S 0.88158059727483 0.75000000000000 0.43934192847225 32.065 > 77 79 S 0.38158059727483 0.75000000000000 0.93934192847225 32.065 > 77 80 S 0.88158059727483 0.75000000000000 0.93934192847225 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4287944 0.0000000 0.0087514 0.0000000 4.2543960 0.0000000 0.0087518 0.0000000 4.1162357 -------------------------- Born effective charges -------------------------- 1 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 2 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 3 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 4 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 5 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 6 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 7 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 8 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 9 Na 1.2684075 -0.0824001 0.0723956 0.1056963 1.1618417 -0.1877279 -0.0876064 -0.2565166 0.9453450 10 Na 1.2684075 0.0824001 0.0723956 -0.1056963 1.1618417 0.1877279 -0.0876064 0.2565166 0.9453450 11 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 12 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 13 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 14 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 15 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 16 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 17 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 18 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 19 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 20 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:03:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:03:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.688541761756113 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.127397494248689 0.000000000000000 7.788863622692086 Atomic positions (fractional): 1 Na 0.65773713822210 0.51975356458530 0.66530801895471 22.990 2 Na 0.34226286177790 0.01975356458530 0.33469198104529 22.990 3 Na 0.34226286177790 0.48024643541470 0.33469198104529 22.990 4 Na 0.65773713822210 0.98024643541470 0.66530801895471 22.990 5 Na 0.97512487816832 0.25000000000000 0.52517363010789 22.990 6 Na 0.02487512183168 0.75000000000000 0.47482636989211 22.990 7 Na 0.67081845271197 0.25000000000000 0.16096888437886 22.990 8 Na 0.32918154728803 0.75000000000000 0.83903111562114 22.990 9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 11 In 0.35965612376088 0.25000000000000 0.82383933043917 114.818 12 In 0.64034387623912 0.75000000000000 0.17616066956083 114.818 13 S 0.23015382971109 0.01936064991074 0.67226293849870 32.065 14 S 0.76984617028891 0.51936064991074 0.32773706150130 32.065 15 S 0.76984617028891 0.98063935008926 0.32773706150130 32.065 16 S 0.23015382971109 0.48063935008926 0.67226293849870 32.065 17 S 0.73044325785867 0.25000000000000 0.82090344489149 32.065 18 S 0.26955674214133 0.75000000000000 0.17909655510851 32.065 19 S 0.23683880545033 0.25000000000000 0.12131614305549 32.065 20 S 0.76316119454967 0.75000000000000 0.87868385694451 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.377083523512226 0.000000000000000 0.000000000000000 b 0.000000000000000 8.775473649999999 0.000000000000000 c -0.254794988497378 0.000000000000000 15.577727245384173 Atomic positions (fractional): 1 Na 0.32886856911105 0.51975356458530 0.33265400947736 22.990 > 1 2 Na 0.82886856911105 0.51975356458530 0.33265400947736 22.990 > 1 3 Na 0.32886856911105 0.51975356458530 0.83265400947736 22.990 > 1 4 Na 0.82886856911105 0.51975356458530 0.83265400947736 22.990 > 1 5 Na 0.17113143088895 0.01975356458530 0.16734599052264 22.990 > 5 6 Na 0.67113143088895 0.01975356458530 0.16734599052264 22.990 > 5 7 Na 0.17113143088895 0.01975356458530 0.66734599052264 22.990 > 5 8 Na 0.67113143088895 0.01975356458530 0.66734599052264 22.990 > 5 9 Na 0.17113143088895 0.48024643541470 0.16734599052264 22.990 > 9 10 Na 0.67113143088895 0.48024643541470 0.16734599052264 22.990 > 9 11 Na 0.17113143088895 0.48024643541470 0.66734599052264 22.990 > 9 12 Na 0.67113143088895 0.48024643541470 0.66734599052264 22.990 > 9 13 Na 0.32886856911105 0.98024643541470 0.33265400947736 22.990 > 13 14 Na 0.82886856911105 0.98024643541470 0.33265400947736 22.990 > 13 15 Na 0.32886856911105 0.98024643541470 0.83265400947736 22.990 > 13 16 Na 0.82886856911105 0.98024643541470 0.83265400947736 22.990 > 13 17 Na 0.48756243908416 0.25000000000000 0.26258681505395 22.990 > 17 18 Na 0.98756243908416 0.25000000000000 0.26258681505395 22.990 > 17 19 Na 0.48756243908416 0.25000000000000 0.76258681505395 22.990 > 17 20 Na 0.98756243908416 0.25000000000000 0.76258681505395 22.990 > 17 21 Na 0.01243756091584 0.75000000000000 0.23741318494605 22.990 > 21 22 Na 0.51243756091584 0.75000000000000 0.23741318494605 22.990 > 21 23 Na 0.01243756091584 0.75000000000000 0.73741318494605 22.990 > 21 24 Na 0.51243756091584 0.75000000000000 0.73741318494605 22.990 > 21 25 Na 0.33540922635598 0.25000000000000 0.08048444218943 22.990 > 25 26 Na 0.83540922635598 0.25000000000000 0.08048444218943 22.990 > 25 27 Na 0.33540922635598 0.25000000000000 0.58048444218943 22.990 > 25 28 Na 0.83540922635598 0.25000000000000 0.58048444218943 22.990 > 25 29 Na 0.16459077364402 0.75000000000000 0.41951555781057 22.990 > 29 30 Na 0.66459077364402 0.75000000000000 0.41951555781057 22.990 > 29 31 Na 0.16459077364402 0.75000000000000 0.91951555781057 22.990 > 29 32 Na 0.66459077364402 0.75000000000000 0.91951555781057 22.990 > 29 33 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 33 34 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 33 35 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 33 36 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 33 37 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 37 38 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 37 39 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 37 40 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 37 41 In 0.17982806188044 0.25000000000000 0.41191966521958 114.818 > 41 42 In 0.67982806188044 0.25000000000000 0.41191966521958 114.818 > 41 43 In 0.17982806188044 0.25000000000000 0.91191966521958 114.818 > 41 44 In 0.67982806188044 0.25000000000000 0.91191966521958 114.818 > 41 45 In 0.32017193811956 0.75000000000000 0.08808033478042 114.818 > 45 46 In 0.82017193811956 0.75000000000000 0.08808033478042 114.818 > 45 47 In 0.32017193811956 0.75000000000000 0.58808033478042 114.818 > 45 48 In 0.82017193811956 0.75000000000000 0.58808033478042 114.818 > 45 49 S 0.11507691485554 0.01936064991074 0.33613146924935 32.065 > 49 50 S 0.61507691485555 0.01936064991074 0.33613146924935 32.065 > 49 51 S 0.11507691485554 0.01936064991074 0.83613146924935 32.065 > 49 52 S 0.61507691485555 0.01936064991074 0.83613146924935 32.065 > 49 53 S 0.38492308514446 0.51936064991074 0.16386853075065 32.065 > 53 54 S 0.88492308514445 0.51936064991074 0.16386853075065 32.065 > 53 55 S 0.38492308514446 0.51936064991074 0.66386853075065 32.065 > 53 56 S 0.88492308514445 0.51936064991074 0.66386853075065 32.065 > 53 57 S 0.38492308514446 0.98063935008926 0.16386853075065 32.065 > 57 58 S 0.88492308514445 0.98063935008926 0.16386853075065 32.065 > 57 59 S 0.38492308514446 0.98063935008926 0.66386853075065 32.065 > 57 60 S 0.88492308514445 0.98063935008926 0.66386853075065 32.065 > 57 61 S 0.11507691485554 0.48063935008926 0.33613146924935 32.065 > 61 62 S 0.61507691485555 0.48063935008926 0.33613146924935 32.065 > 61 63 S 0.11507691485554 0.48063935008926 0.83613146924935 32.065 > 61 64 S 0.61507691485555 0.48063935008926 0.83613146924935 32.065 > 61 65 S 0.36522162892934 0.25000000000000 0.41045172244574 32.065 > 65 66 S 0.86522162892934 0.25000000000000 0.41045172244574 32.065 > 65 67 S 0.36522162892934 0.25000000000000 0.91045172244574 32.065 > 65 68 S 0.86522162892934 0.25000000000000 0.91045172244574 32.065 > 65 69 S 0.13477837107066 0.75000000000000 0.08954827755426 32.065 > 69 70 S 0.63477837107066 0.75000000000000 0.08954827755426 32.065 > 69 71 S 0.13477837107066 0.75000000000000 0.58954827755426 32.065 > 69 72 S 0.63477837107066 0.75000000000000 0.58954827755426 32.065 > 69 73 S 0.11841940272517 0.25000000000000 0.06065807152775 32.065 > 73 74 S 0.61841940272517 0.25000000000000 0.06065807152775 32.065 > 73 75 S 0.11841940272517 0.25000000000000 0.56065807152775 32.065 > 73 76 S 0.61841940272517 0.25000000000000 0.56065807152775 32.065 > 73 77 S 0.38158059727483 0.75000000000000 0.43934192847225 32.065 > 77 78 S 0.88158059727483 0.75000000000000 0.43934192847225 32.065 > 77 79 S 0.38158059727483 0.75000000000000 0.93934192847225 32.065 > 77 80 S 0.88158059727483 0.75000000000000 0.93934192847225 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4287944 0.0000000 0.0087514 0.0000000 4.2543960 0.0000000 0.0087518 0.0000000 4.1162357 -------------------------- Born effective charges -------------------------- 1 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 2 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 3 Na 0.9651947 0.1272315 -0.0722547 0.1014313 0.9273202 -0.0959707 -0.0205174 0.1297744 1.1040819 4 Na 0.9651947 -0.1272315 -0.0722547 -0.1014313 0.9273202 0.0959707 -0.0205174 -0.1297744 1.1040819 5 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 6 Na 1.2004613 0.0000000 -0.0512141 0.0000000 1.2613274 0.0000000 0.1196145 0.0000000 1.3386205 7 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 8 Na 0.9891259 0.0000000 0.1263444 0.0000000 1.1651750 0.0000000 0.0542957 0.0000000 0.8891895 9 Na 1.2684075 -0.0824001 0.0723956 0.1056963 1.1618417 -0.1877279 -0.0876064 -0.2565166 0.9453450 10 Na 1.2684075 0.0824001 0.0723956 -0.1056963 1.1618417 0.1877279 -0.0876064 0.2565166 0.9453450 11 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 12 In 2.4122004 0.0000000 0.0098021 0.0000000 2.4746770 0.0000000 -0.0141419 0.0000000 2.2371200 13 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 14 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 15 S -1.7758629 -0.1950790 -0.1443067 -0.2426131 -2.4061607 -0.4896713 -0.1283312 -0.2803350 -1.8479974 16 S -1.7758629 0.1950790 -0.1443067 0.2426131 -2.4061607 0.4896713 -0.1283312 0.2803350 -1.8479974 17 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 18 S -2.4697157 0.0000000 0.0393093 0.0000000 -1.5516502 0.0000000 0.0029682 0.0000000 -1.5226404 19 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 20 S -1.7791429 0.0000000 0.2364854 0.0000000 -1.5536900 0.0000000 0.2225670 0.0000000 -2.3998036 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 6 ] 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: 0.54, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.439 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 23.709 0.000 18.660) 30.172 0.545 ( 25.264 0.000 -6.451) 26.075 0.711 ( 32.028 0.000 1.924) 32.086 1.617 ( -1.496 0.000 2.453) 2.873 1.984 ( 3.243 0.000 -0.192) 3.249 2.004 ( 2.988 0.000 2.223) 3.725 2.160 ( -10.934 0.000 4.486) 11.819 2.538 ( -11.793 0.000 3.023) 12.174 2.674 ( -21.315 0.000 1.040) 21.340 2.757 ( -8.170 0.000 -2.842) 8.650 2.802 ( -1.404 0.000 10.936) 11.026 2.928 ( -8.505 0.000 -3.109) 9.056 3.209 ( 0.845 0.000 -3.127) 3.239 3.227 ( -4.073 0.000 5.805) 7.091 3.319 ( -2.441 0.000 7.553) 7.937 3.433 ( 8.103 0.000 -4.503) 9.270 3.489 ( 0.777 0.000 -0.077) 0.780 3.615 ( 5.866 0.000 -6.641) 8.861 3.657 ( 0.199 0.000 -1.187) 1.204 3.838 ( 0.485 0.000 1.897) 1.958 3.842 ( 1.288 0.000 -1.669) 2.108 3.968 ( -6.371 0.000 -2.980) 7.033 4.022 ( 9.068 0.000 -3.212) 9.620 4.046 ( 3.110 0.000 0.146) 3.114 4.180 ( -5.116 0.000 -1.777) 5.415 4.422 ( -3.521 0.000 -2.731) 4.456 4.530 ( -0.684 0.000 -0.861) 1.100 4.650 ( 0.792 0.000 -0.396) 0.885 4.686 ( -2.365 0.000 8.016) 8.358 4.731 ( 1.357 0.000 -1.643) 2.131 4.740 ( -4.450 0.000 -4.516) 6.340 4.986 ( 4.887 0.000 1.430) 5.092 5.014 ( -3.210 0.000 -1.055) 3.379 5.313 ( 1.688 0.000 0.657) 1.812 5.339 ( 3.644 0.000 2.105) 4.208 5.526 ( 0.266 0.000 -3.060) 3.072 5.747 ( 3.160 0.000 -2.475) 4.014 5.981 ( 0.544 0.000 -1.568) 1.659 6.049 ( -0.729 0.000 -0.094) 0.735 6.135 ( -0.527 0.000 2.039) 2.106 6.217 ( 0.809 0.000 2.673) 2.793 6.378 ( 2.267 0.000 -1.017) 2.484 6.570 ( 1.524 0.000 2.939) 3.311 6.772 ( 1.501 0.000 -8.635) 8.765 6.832 ( 3.022 0.000 -16.301) 16.579 7.096 ( 1.777 0.000 -0.232) 1.793 7.149 ( -1.381 0.000 23.377) 23.418 7.197 ( 0.557 0.000 0.302) 0.634 7.286 ( -0.090 0.000 0.059) 0.107 7.326 ( 0.620 0.000 0.354) 0.714 7.477 ( -0.100 0.000 6.595) 6.596 7.536 ( -1.121 0.000 -0.229) 1.144 8.034 ( 0.891 0.000 -0.395) 0.975 8.368 ( 2.430 0.000 -2.032) 3.167 8.438 ( -0.143 0.000 -0.021) 0.144 8.638 ( 0.821 0.000 0.863) 1.191 8.855 ( 1.995 0.000 -9.456) 9.664 8.980 ( -1.547 0.000 6.142) 6.334 9.013 ( -0.325 0.000 8.053) 8.060 9.496 ( -2.162 0.000 -10.065) 10.295 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 21.493 0.000 14.485) 25.918 1.063 ( 22.999 0.000 -6.309) 23.848 1.333 ( 24.867 0.000 3.264) 25.080 1.576 ( -2.415 0.000 1.818) 3.023 1.878 ( -13.846 0.000 5.346) 14.843 1.898 ( -13.240 0.000 5.492) 14.334 2.000 ( -6.457 0.000 -0.902) 6.520 2.249 ( -13.683 0.000 -0.696) 13.701 2.369 ( -8.541 0.000 4.936) 9.865 2.595 ( 0.160 0.000 -5.800) 5.802 2.639 ( -9.106 0.000 -1.079) 9.170 2.899 ( 1.680 0.000 4.166) 4.492 3.112 ( -4.408 0.000 0.306) 4.419 3.204 ( -5.885 0.000 5.544) 8.085 3.233 ( -1.504 0.000 4.136) 4.401 3.530 ( 2.662 0.000 0.279) 2.677 3.586 ( 3.456 0.000 -1.181) 3.652 3.659 ( -2.302 0.000 0.312) 2.323 3.665 ( 0.508 0.000 -3.222) 3.262 3.793 ( -2.988 0.000 0.762) 3.084 3.889 ( 3.216 0.000 -2.790) 4.257 3.896 ( 2.569 0.000 -8.714) 9.085 4.062 ( -3.311 0.000 -0.843) 3.417 4.156 ( 2.340 0.000 -1.892) 3.010 4.212 ( 7.628 0.000 -2.304) 7.968 4.355 ( -1.592 0.000 -3.151) 3.530 4.505 ( -1.858 0.000 2.596) 3.192 4.593 ( -4.907 0.000 2.456) 5.488 4.618 ( -4.320 0.000 0.587) 4.360 4.678 ( -2.223 0.000 2.980) 3.718 4.696 ( -2.740 0.000 -1.793) 3.274 4.956 ( -2.526 0.000 2.094) 3.281 5.078 ( 3.217 0.000 -0.516) 3.258 5.378 ( 4.304 0.000 1.915) 4.711 5.417 ( 3.023 0.000 2.149) 3.709 5.531 ( 0.580 0.000 -5.128) 5.160 5.854 ( 6.396 0.000 -6.325) 8.995 5.971 ( -1.505 0.000 -2.368) 2.806 6.038 ( -0.318 0.000 1.489) 1.523 6.134 ( 0.328 0.000 1.942) 1.969 6.227 ( -0.142 0.000 2.615) 2.619 6.428 ( 2.129 0.000 -0.755) 2.259 6.597 ( 0.684 0.000 3.820) 3.881 6.814 ( 3.094 0.000 -8.982) 9.500 6.910 ( 3.732 0.000 -0.644) 3.787 7.112 ( -2.767 0.000 10.847) 11.195 7.143 ( 2.199 0.000 -0.044) 2.199 7.214 ( 1.064 0.000 0.399) 1.136 7.286 ( 0.131 0.000 -0.477) 0.495 7.337 ( 0.319 0.000 0.101) 0.335 7.479 ( 0.167 0.000 0.687) 0.707 7.511 ( -1.020 0.000 0.013) 1.020 8.057 ( 1.087 0.000 -0.549) 1.218 8.434 ( -0.147 0.000 -0.057) 0.157 8.436 ( 3.865 0.000 -3.655) 5.319 8.631 ( -1.590 0.000 2.471) 2.939 8.915 ( 1.479 0.000 -1.732) 2.278 8.960 ( 1.517 0.000 3.580) 3.888 9.005 ( -0.375 0.000 0.440) 0.578 9.429 ( -3.619 0.000 -4.911) 6.100 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 13.918 0.000 7.791) 15.951 1.472 ( 10.826 0.000 -4.763) 11.828 1.545 ( 2.606 0.000 -2.988) 3.965 1.596 ( -4.236 0.000 2.133) 4.743 1.629 ( -8.345 0.000 6.626) 10.655 1.711 ( -6.425 0.000 -1.171) 6.531 1.799 ( 3.829 0.000 5.327) 6.561 2.081 ( -6.373 0.000 -6.515) 9.113 2.116 ( -11.225 0.000 3.268) 11.691 2.524 ( -1.629 0.000 0.204) 1.642 2.717 ( 5.937 0.000 -2.236) 6.344 2.955 ( 3.658 0.000 0.936) 3.776 3.045 ( -1.692 0.000 -0.214) 1.706 3.090 ( -5.025 0.000 3.415) 6.075 3.169 ( -3.295 0.000 2.402) 4.077 3.522 ( -3.252 0.000 -0.217) 3.259 3.571 ( 0.805 0.000 0.787) 1.126 3.682 ( 0.918 0.000 -1.775) 1.998 3.683 ( 0.926 0.000 -0.840) 1.250 3.747 ( -1.089 0.000 0.013) 1.089 3.945 ( 0.345 0.000 -1.228) 1.275 3.960 ( 2.620 0.000 -2.310) 3.493 4.061 ( 2.900 0.000 -2.279) 3.688 4.139 ( -1.835 0.000 0.289) 1.857 4.294 ( -0.305 0.000 -2.818) 2.834 4.347 ( -0.134 0.000 -1.313) 1.320 4.498 ( -1.615 0.000 2.547) 3.016 4.506 ( -0.637 0.000 1.988) 2.087 4.524 ( -1.227 0.000 0.027) 1.227 4.637 ( -1.348 0.000 2.394) 2.747 4.664 ( -0.863 0.000 -1.422) 1.663 4.902 ( -1.944 0.000 1.006) 2.189 5.120 ( 0.852 0.000 -0.590) 1.036 5.462 ( 1.128 0.000 1.096) 1.573 5.469 ( 2.964 0.000 1.262) 3.222 5.541 ( 0.283 0.000 -2.322) 2.339 5.931 ( -1.510 0.000 -1.253) 1.962 5.979 ( 4.654 0.000 -8.563) 9.746 6.030 ( -0.844 0.000 5.955) 6.014 6.142 ( 0.221 0.000 0.662) 0.698 6.212 ( -0.998 0.000 1.129) 1.507 6.461 ( 0.811 0.000 -0.248) 0.848 6.603 ( -0.029 0.000 1.542) 1.542 6.900 ( 4.704 0.000 -6.279) 7.845 6.963 ( 0.482 0.000 2.459) 2.505 7.043 ( -3.261 0.000 4.951) 5.928 7.176 ( 0.806 0.000 0.058) 0.808 7.238 ( 0.854 0.000 0.272) 0.896 7.290 ( 0.145 0.000 -0.341) 0.370 7.337 ( -0.204 0.000 -0.212) 0.294 7.483 ( 0.143 0.000 -0.193) 0.241 7.498 ( -0.261 0.000 0.165) 0.309 8.074 ( 0.488 0.000 -0.257) 0.552 8.432 ( -0.053 0.000 -0.040) 0.066 8.517 ( 3.516 0.000 -4.389) 5.624 8.584 ( -2.664 0.000 3.977) 4.787 8.898 ( -0.924 0.000 0.475) 1.039 8.990 ( -0.167 0.000 -0.181) 0.246 9.051 ( 3.309 0.000 0.754) 3.394 9.355 ( -2.572 0.000 -2.020) 3.271 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 0.000 18.708 0.000) 18.708 0.541 ( 0.000 28.214 0.000) 28.214 0.810 ( 0.000 40.684 0.000) 40.684 1.706 ( 0.000 6.359 0.000) 6.359 1.769 ( 0.000 -13.305 0.000) 13.305 2.125 ( 0.000 1.496 0.000) 1.496 2.217 ( 0.000 -7.791 0.000) 7.791 2.447 ( 0.000 -5.227 0.000) 5.227 2.740 ( 0.000 -1.028 0.000) 1.028 2.822 ( 0.000 2.106 0.000) 2.106 3.009 ( 0.000 6.310 0.000) 6.310 3.047 ( 0.000 -0.412 0.000) 0.412 3.186 ( 0.000 -1.951 0.000) 1.951 3.226 ( 0.000 -4.173 0.000) 4.173 3.315 ( 0.000 12.199 0.000) 12.199 3.355 ( 0.000 -0.087 0.000) 0.087 3.534 ( 0.000 4.158 0.000) 4.158 3.586 ( 0.000 -0.422 0.000) 0.422 3.703 ( 0.000 1.150 0.000) 1.150 3.774 ( 0.000 -8.511 0.000) 8.511 3.906 ( 0.000 11.747 0.000) 11.747 3.927 ( 0.000 0.128 0.000) 0.128 4.027 ( 0.000 -0.256 0.000) 0.256 4.146 ( 0.000 4.756 0.000) 4.756 4.261 ( 0.000 0.509 0.000) 0.509 4.295 ( 0.000 -11.987 0.000) 11.987 4.493 ( 0.000 -3.438 0.000) 3.438 4.541 ( 0.000 -3.163 0.000) 3.163 4.684 ( 0.000 -8.090 0.000) 8.090 4.782 ( 0.000 6.699 0.000) 6.699 4.794 ( 0.000 4.357 0.000) 4.357 5.007 ( 0.000 2.985 0.000) 2.985 5.031 ( 0.000 1.108 0.000) 1.108 5.161 ( 0.000 -0.287 0.000) 0.287 5.297 ( 0.000 1.449 0.000) 1.449 5.332 ( 0.000 2.800 0.000) 2.800 5.622 ( 0.000 2.744 0.000) 2.744 5.850 ( 0.000 -3.703 0.000) 3.703 5.935 ( 0.000 -6.126 0.000) 6.126 6.117 ( 0.000 -6.902 0.000) 6.902 6.174 ( 0.000 -4.528 0.000) 4.528 6.284 ( 0.000 -1.826 0.000) 1.826 6.362 ( 0.000 0.686 0.000) 0.686 6.527 ( 0.000 -2.205 0.000) 2.205 6.734 ( 0.000 -0.889 0.000) 0.889 6.835 ( 0.000 -1.361 0.000) 1.361 7.130 ( 0.000 4.421 0.000) 4.421 7.219 ( 0.000 2.663 0.000) 2.663 7.298 ( 0.000 0.980 0.000) 0.980 7.414 ( 0.000 -3.723 0.000) 3.723 7.606 ( 0.000 3.940 0.000) 3.940 7.749 ( 0.000 -0.348 0.000) 0.348 8.353 ( 0.000 1.145 0.000) 1.145 8.435 ( 0.000 -0.434 0.000) 0.434 8.609 ( 0.000 0.423 0.000) 0.423 8.623 ( 0.000 0.151 0.000) 0.151 8.961 ( 0.000 2.755 0.000) 2.755 8.996 ( 0.000 -0.364 0.000) 0.364 9.189 ( 0.000 0.473 0.000) 0.473 9.544 ( 0.000 -2.959 0.000) 2.959 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 7.315 13.714 6.088) 16.693 0.642 ( 21.121 8.854 25.054) 33.944 1.189 ( 22.150 30.552 -9.213) 38.845 1.686 ( -1.814 4.390 5.310) 7.124 1.760 ( 4.106 -11.541 1.090) 12.298 2.070 ( -9.051 -5.683 2.664) 11.014 2.120 ( -4.861 -1.040 0.711) 5.022 2.489 ( -8.533 -5.963 4.760) 11.447 2.653 ( -4.245 0.293 -0.520) 4.287 2.723 ( -11.308 1.726 2.242) 11.657 2.847 ( -9.015 1.260 -0.096) 9.104 2.992 ( -2.640 6.368 -2.918) 7.486 3.210 ( 1.010 -0.910 6.192) 6.339 3.281 ( 1.135 -1.353 2.867) 3.368 3.314 ( -0.635 5.454 -5.280) 7.618 3.395 ( 0.024 -2.919 -3.587) 4.625 3.481 ( -2.350 -0.364 4.317) 4.929 3.570 ( 3.599 1.709 -1.863) 4.398 3.761 ( 2.309 2.923 1.413) 3.984 3.803 ( -1.750 -1.979 -6.809) 7.304 3.906 ( 2.292 2.761 3.755) 5.194 3.971 ( 3.002 -0.394 2.871) 4.173 4.041 ( 0.461 6.972 -4.549) 8.338 4.077 ( -0.283 2.647 -3.906) 4.727 4.198 ( -3.372 0.528 -2.897) 4.477 4.287 ( -0.971 -8.782 -2.484) 9.178 4.440 ( -0.554 -8.959 1.752) 9.145 4.612 ( -0.242 -2.431 3.821) 4.535 4.705 ( 1.122 -3.164 0.444) 3.386 4.765 ( -2.049 2.896 1.219) 3.751 4.818 ( 0.772 7.419 -0.967) 7.522 4.948 ( -2.285 1.282 -0.723) 2.718 5.113 ( 0.482 5.317 -0.813) 5.400 5.236 ( 0.474 -6.122 0.407) 6.154 5.353 ( 5.399 -2.335 1.695) 6.121 5.451 ( 5.024 -3.226 -0.320) 5.979 5.726 ( 6.360 0.109 -2.624) 6.881 5.881 ( 3.667 -8.630 0.101) 9.378 5.901 ( -2.694 -7.851 -0.268) 8.305 6.115 ( -0.089 -2.339 6.788) 7.180 6.263 ( 4.339 -2.275 -2.576) 5.535 6.340 ( 2.351 -1.997 0.715) 3.166 6.490 ( 11.813 -12.818 -6.804) 18.712 6.563 ( 3.562 -3.360 2.223) 5.377 6.766 ( 2.882 -1.728 2.300) 4.073 6.845 ( 1.054 -2.094 0.899) 2.510 7.151 ( 1.808 4.334 0.373) 4.711 7.228 ( 0.749 2.838 0.510) 2.979 7.297 ( -0.047 1.043 0.225) 1.068 7.417 ( 0.265 -3.606 -0.381) 3.636 7.591 ( -1.250 3.866 -1.257) 4.253 7.682 ( -5.863 3.895 1.004) 7.110 8.348 ( -10.170 10.110 -1.537) 14.423 8.379 ( 0.967 1.729 -3.041) 3.630 8.473 ( -2.104 6.153 5.136) 8.287 8.643 ( 0.815 0.429 1.321) 1.610 8.915 ( -1.618 4.342 -5.859) 7.470 8.978 ( -1.565 -0.133 6.216) 6.411 9.048 ( -3.032 4.149 2.541) 5.733 9.481 ( -3.110 -1.879 -7.988) 8.776 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 21.807 -9.667 -3.384) 24.093 1.118 ( 21.401 3.983 22.017) 30.962 1.576 ( 9.630 14.144 -2.747) 17.331 1.634 ( -7.462 -1.453 1.405) 7.731 1.747 ( -9.189 -2.867 6.727) 11.744 1.895 ( -2.969 -4.015 3.727) 6.231 1.912 ( -5.706 -2.272 -0.266) 6.148 2.349 ( -8.253 1.532 -3.664) 9.159 2.384 ( -14.138 6.220 5.303) 16.331 2.608 ( -2.424 0.205 -1.211) 2.718 2.667 ( -3.542 4.406 -5.493) 7.883 2.981 ( 0.305 7.590 2.299) 7.937 3.153 ( -4.624 2.617 7.653) 9.316 3.239 ( -5.055 3.862 4.862) 8.006 3.284 ( -0.217 5.674 -2.997) 6.421 3.384 ( 0.321 -11.569 -2.548) 11.850 3.561 ( 4.398 -5.543 -1.063) 7.155 3.628 ( 1.236 1.669 2.307) 3.104 3.756 ( -0.145 -0.358 -0.508) 0.638 3.783 ( -0.551 3.437 -3.506) 4.940 3.871 ( -1.568 4.048 -4.597) 6.323 4.005 ( -3.296 0.875 -2.447) 4.197 4.049 ( -1.348 -1.037 -1.234) 2.101 4.104 ( 3.595 0.760 -1.571) 3.996 4.213 ( 4.644 0.742 -1.130) 4.836 4.300 ( 1.672 -6.661 -3.359) 7.645 4.470 ( 2.752 -3.463 2.421) 5.042 4.560 ( -3.508 -0.337 2.675) 4.425 4.665 ( -5.972 2.144 4.807) 7.960 4.709 ( -1.856 3.152 -2.602) 4.489 4.789 ( -2.693 6.797 0.654) 7.340 4.921 ( -0.905 -1.901 0.796) 2.251 5.129 ( 0.926 3.704 -1.066) 3.964 5.262 ( 2.721 -7.074 2.681) 8.039 5.422 ( 1.028 -4.092 -2.822) 5.076 5.536 ( 4.095 0.939 2.709) 4.999 5.802 ( -1.793 -8.125 -5.749) 10.113 5.864 ( 3.321 -3.530 -3.099) 5.753 5.971 ( 3.340 -7.761 0.615) 8.472 6.110 ( -0.551 1.117 5.110) 5.260 6.331 ( 2.171 5.087 0.444) 5.549 6.395 ( 2.748 -3.533 -0.817) 4.550 6.583 ( 1.111 -1.164 1.954) 2.531 6.730 ( 6.708 -12.178 -7.041) 15.584 6.841 ( 3.314 -6.268 5.300) 8.852 6.888 ( 2.710 -3.842 1.389) 4.902 7.199 ( 2.273 4.072 0.444) 4.685 7.251 ( 1.472 3.154 0.795) 3.570 7.297 ( 0.069 1.163 0.190) 1.181 7.425 ( 0.397 -3.147 0.819) 3.276 7.534 ( -5.417 7.618 -2.531) 9.684 7.570 ( -1.926 3.619 0.852) 4.187 8.178 ( -4.286 9.700 -1.076) 10.660 8.436 ( 3.147 0.015 -3.333) 4.584 8.473 ( 0.704 3.969 1.558) 4.322 8.633 ( -1.858 0.183 2.778) 3.347 8.932 ( -0.436 1.230 0.060) 1.307 8.956 ( 2.346 -0.274 3.158) 3.943 9.020 ( -0.367 2.182 -1.864) 2.893 9.404 ( -3.872 -2.588 -4.924) 6.777 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 9.513 -17.702 -4.473) 20.588 1.310 ( -5.349 -14.579 1.942) 15.651 1.520 ( 10.915 -1.433 11.559) 15.963 1.636 ( 3.128 9.294 -1.739) 9.960 1.666 ( -7.022 2.222 1.751) 7.571 1.733 ( -3.801 4.665 7.664) 9.744 1.991 ( 0.121 8.737 -1.877) 8.937 2.086 ( -8.556 5.255 -4.283) 10.917 2.188 ( -5.633 0.420 0.626) 5.683 2.544 ( -1.191 3.444 -1.292) 3.866 2.733 ( 3.942 1.231 -1.993) 4.586 3.002 ( 1.433 3.085 -1.747) 3.824 3.072 ( -2.527 5.828 6.780) 9.290 3.157 ( -2.103 5.744 1.368) 6.268 3.278 ( -0.461 7.871 -0.394) 7.894 3.362 ( -1.507 -8.077 -1.110) 8.291 3.614 ( 1.380 -6.110 -1.538) 6.450 3.646 ( 0.641 -0.131 4.100) 4.152 3.714 ( -2.853 5.669 -3.473) 7.234 3.823 ( 2.597 3.846 0.849) 4.718 3.893 ( 2.518 -1.160 -4.175) 5.012 3.938 ( -2.299 -2.152 -0.281) 3.161 3.992 ( -2.097 -5.328 -0.787) 5.780 4.166 ( 1.576 3.158 -1.775) 3.951 4.278 ( -0.190 -5.675 -0.574) 5.707 4.331 ( 1.651 -1.625 0.371) 2.345 4.497 ( -2.074 1.982 0.833) 2.987 4.504 ( -0.702 1.620 1.305) 2.196 4.574 ( -0.146 3.023 0.010) 3.027 4.672 ( -1.718 6.152 2.077) 6.717 4.760 ( 0.732 5.037 -1.555) 5.322 4.873 ( -2.922 -1.959 1.419) 3.793 5.144 ( 0.371 1.171 -0.912) 1.530 5.344 ( 3.820 -7.152 2.812) 8.582 5.418 ( -1.170 -5.580 -3.295) 6.584 5.616 ( 2.948 3.045 4.176) 5.950 5.727 ( -3.322 -13.581 -3.977) 14.536 5.960 ( 3.999 -4.153 -5.637) 8.063 6.008 ( -0.189 -5.391 3.006) 6.176 6.099 ( -0.422 3.136 1.999) 3.743 6.361 ( 0.638 8.333 0.058) 8.358 6.439 ( 1.126 -3.070 -0.181) 3.275 6.594 ( 0.092 -0.565 1.110) 1.249 6.828 ( 3.189 -8.818 -5.058) 10.654 6.881 ( 0.003 -7.164 4.654) 8.543 6.937 ( 1.370 -4.037 0.528) 4.296 7.232 ( 0.778 4.360 0.154) 4.431 7.286 ( 1.305 3.126 1.155) 3.579 7.299 ( 0.047 1.067 -0.568) 1.209 7.424 ( -1.157 3.156 3.336) 4.736 7.448 ( -1.232 1.294 -3.618) 4.035 7.548 ( -0.471 2.821 -0.255) 2.872 8.128 ( -0.952 5.107 -0.509) 5.220 8.474 ( 0.378 3.032 0.330) 3.073 8.512 ( 2.553 0.009 -3.867) 4.634 8.585 ( -2.212 0.378 3.836) 4.444 8.904 ( -0.978 0.651 0.606) 1.322 8.997 ( 0.067 0.541 -0.122) 0.559 9.059 ( 3.081 0.944 0.353) 3.242 9.325 ( -2.766 -3.013 -2.186) 4.637 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 20.310 0.000) 20.310 1.065 ( 0.000 26.793 0.000) 26.793 1.389 ( 0.000 -0.976 0.000) 0.976 1.591 ( 0.000 13.731 0.000) 13.731 1.830 ( 0.000 5.775 0.000) 5.775 1.967 ( 0.000 -17.312 0.000) 17.312 2.123 ( 0.000 -0.828 0.000) 0.828 2.345 ( 0.000 -5.901 0.000) 5.901 2.762 ( 0.000 4.292 0.000) 4.292 2.875 ( 0.000 3.799 0.000) 3.799 3.065 ( 0.000 -1.352 0.000) 1.352 3.082 ( 0.000 -4.401 0.000) 4.401 3.148 ( 0.000 -0.500 0.000) 0.500 3.176 ( 0.000 4.760 0.000) 4.760 3.351 ( 0.000 0.163 0.000) 0.163 3.499 ( 0.000 -5.252 0.000) 5.252 3.593 ( 0.000 0.985 0.000) 0.985 3.608 ( 0.000 2.370 0.000) 2.370 3.630 ( 0.000 5.070 0.000) 5.070 3.745 ( 0.000 3.896 0.000) 3.896 3.933 ( 0.000 -0.713 0.000) 0.713 3.998 ( 0.000 -0.853 0.000) 0.853 4.061 ( 0.000 -12.049 0.000) 12.049 4.091 ( 0.000 1.538 0.000) 1.538 4.275 ( 0.000 3.768 0.000) 3.768 4.300 ( 0.000 13.421 0.000) 13.421 4.429 ( 0.000 -2.730 0.000) 2.730 4.526 ( 0.000 1.190 0.000) 1.190 4.564 ( 0.000 -4.457 0.000) 4.457 4.826 ( 0.000 -3.071 0.000) 3.071 4.885 ( 0.000 4.824 0.000) 4.824 5.020 ( 0.000 -0.993 0.000) 0.993 5.039 ( 0.000 -1.267 0.000) 1.267 5.104 ( 0.000 -5.549 0.000) 5.549 5.388 ( 0.000 7.830 0.000) 7.830 5.402 ( 0.000 5.818 0.000) 5.818 5.689 ( 0.000 4.190 0.000) 4.190 5.750 ( 0.000 -6.872 0.000) 6.872 5.774 ( 0.000 -9.915 0.000) 9.915 5.965 ( 0.000 -8.924 0.000) 8.924 6.131 ( 0.000 1.003 0.000) 1.003 6.236 ( 0.000 -2.476 0.000) 2.476 6.371 ( 0.000 0.438 0.000) 0.438 6.465 ( 0.000 -4.048 0.000) 4.048 6.739 ( 0.000 1.229 0.000) 1.229 6.804 ( 0.000 -1.807 0.000) 1.807 7.211 ( 0.000 3.779 0.000) 3.779 7.273 ( 0.000 2.485 0.000) 2.485 7.317 ( 0.000 0.801 0.000) 0.801 7.347 ( 0.000 -3.211 0.000) 3.211 7.673 ( 0.000 2.973 0.000) 2.973 7.739 ( 0.000 -0.783 0.000) 0.783 8.380 ( 0.000 1.554 0.000) 1.554 8.424 ( 0.000 -0.686 0.000) 0.686 8.618 ( 0.000 0.502 0.000) 0.502 8.627 ( 0.000 0.123 0.000) 0.123 8.990 ( 0.000 -0.075 0.000) 0.075 9.000 ( 0.000 0.683 0.000) 0.683 9.232 ( 0.000 4.523 0.000) 4.523 9.463 ( 0.000 -5.454 0.000) 5.454 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -3.050 20.777 6.386) 21.950 0.881 ( 5.284 18.394 21.355) 28.676 1.463 ( 4.692 -12.893 6.967) 15.388 1.690 ( -1.676 1.333 2.384) 3.205 1.783 ( 1.238 9.000 -2.842) 9.519 1.913 ( -2.977 -0.975 -0.726) 3.215 2.120 ( 0.172 0.852 -1.802) 2.001 2.366 ( -2.689 -6.304 -0.609) 6.880 2.707 ( -2.878 4.366 -0.832) 5.295 2.791 ( -9.473 4.206 4.518) 11.306 2.869 ( -9.044 1.527 -5.159) 10.523 3.108 ( 1.584 -0.244 1.671) 2.315 3.140 ( 0.058 -3.282 -3.955) 5.140 3.224 ( 2.777 1.583 1.866) 3.701 3.340 ( -3.798 -1.705 1.492) 4.423 3.465 ( -4.201 2.010 2.852) 5.461 3.540 ( -1.940 6.072 -5.693) 8.546 3.619 ( -0.461 4.555 3.105) 5.532 3.720 ( 4.412 -4.690 -3.342) 7.255 3.832 ( 4.967 3.188 0.272) 5.908 3.854 ( 1.194 -4.722 -0.124) 4.873 3.978 ( -1.805 0.753 3.201) 3.752 4.068 ( 0.527 -9.122 -2.706) 9.530 4.168 ( -0.948 4.661 -3.312) 5.796 4.205 ( -1.530 -4.792 1.291) 5.193 4.287 ( 1.197 15.249 -1.867) 15.410 4.312 ( -5.042 -1.729 1.799) 5.625 4.560 ( 0.111 -3.036 1.925) 3.597 4.637 ( 4.735 -1.460 -1.219) 5.102 4.826 ( -2.702 2.943 4.371) 5.922 4.901 ( 1.602 -0.296 1.455) 2.184 4.987 ( -2.341 -0.676 -1.777) 3.015 5.083 ( 0.368 -5.025 -0.780) 5.098 5.176 ( 5.564 -1.146 0.401) 5.695 5.376 ( -2.196 5.768 -1.450) 6.340 5.442 ( 4.329 2.764 4.600) 6.895 5.711 ( -2.696 -10.068 3.718) 11.066 5.745 ( -0.682 -8.072 -3.898) 8.989 5.766 ( 6.038 3.652 -1.607) 7.237 6.027 ( 4.274 -7.412 2.574) 8.935 6.186 ( 4.459 -0.587 -3.648) 5.791 6.304 ( 5.812 -4.053 1.145) 7.178 6.395 ( 2.473 0.755 -2.822) 3.827 6.507 ( 3.105 -3.555 1.851) 5.070 6.759 ( 1.730 0.647 0.683) 1.970 6.810 ( 0.661 -1.712 -1.350) 2.278 7.229 ( 1.543 3.610 0.736) 3.994 7.285 ( 0.943 2.729 0.923) 3.031 7.318 ( 0.157 0.829 1.061) 1.356 7.352 ( 0.519 -3.088 -0.416) 3.159 7.655 ( -1.544 2.713 -1.209) 3.347 7.705 ( -2.998 -0.054 -0.791) 3.101 8.393 ( 0.887 1.025 -2.091) 2.492 8.409 ( -1.674 0.364 -3.411) 3.817 8.586 ( -2.065 3.715 3.932) 5.790 8.647 ( 0.812 -0.180 2.073) 2.234 8.953 ( -2.314 0.473 1.574) 2.838 8.975 ( -2.136 -0.410 4.203) 4.732 9.167 ( -3.919 7.391 -4.003) 9.274 9.418 ( -3.337 -4.766 -5.550) 8.041 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 4.001 6.626 3.085) 8.332 1.196 ( 11.919 1.240 20.578) 23.813 1.401 ( -14.867 -10.997 5.299) 19.237 1.634 ( 9.444 -11.059 11.720) 18.677 1.809 ( -0.308 8.675 -3.953) 9.539 1.936 ( -0.592 6.351 2.032) 6.694 2.017 ( -8.301 8.355 -0.560) 11.791 2.261 ( -6.509 -6.692 -3.618) 10.012 2.576 ( -10.610 9.506 -1.945) 14.377 2.645 ( -0.978 4.922 1.026) 5.122 2.763 ( -1.562 4.249 -5.616) 7.214 3.086 ( -2.455 3.666 2.364) 5.006 3.110 ( -4.219 -13.544 -2.804) 14.461 3.264 ( 0.079 7.246 6.182) 9.526 3.306 ( 2.128 -0.687 1.499) 2.692 3.419 ( 0.244 -1.415 -0.341) 1.475 3.478 ( -1.262 6.704 -4.135) 7.977 3.656 ( 2.652 1.733 1.991) 3.742 3.718 ( 0.081 -1.174 -5.243) 5.374 3.861 ( -2.556 -1.285 -2.009) 3.496 3.927 ( 1.371 1.805 0.010) 2.266 3.991 ( -1.246 1.444 -1.676) 2.539 4.037 ( -2.425 4.297 0.445) 4.954 4.133 ( 2.019 -8.316 -0.710) 8.587 4.201 ( 1.786 0.241 -1.047) 2.084 4.267 ( -0.200 4.225 2.264) 4.798 4.387 ( 5.715 -2.830 -0.682) 6.414 4.551 ( -0.266 -1.486 0.934) 1.775 4.704 ( -2.339 2.292 4.502) 5.567 4.754 ( 0.316 3.086 -0.974) 3.251 4.884 ( -3.334 0.970 3.577) 4.985 4.945 ( -1.556 3.956 -1.585) 4.537 5.087 ( 0.775 -6.867 -0.441) 6.925 5.229 ( -0.245 1.520 0.863) 1.765 5.319 ( -1.843 -4.300 -2.536) 5.322 5.511 ( -1.587 -4.189 6.653) 8.020 5.655 ( 1.020 -4.088 -2.667) 4.986 5.795 ( 3.545 -5.843 -4.081) 7.959 5.901 ( 5.714 2.002 -0.667) 6.091 6.101 ( 2.164 -2.968 5.073) 6.263 6.287 ( 4.445 -3.108 -3.209) 6.302 6.428 ( 4.258 0.941 1.252) 4.537 6.486 ( 5.995 -7.339 -3.723) 10.182 6.567 ( 2.069 -2.088 2.857) 4.099 6.800 ( 1.562 -0.305 1.166) 1.973 6.836 ( 1.918 -2.158 -2.065) 3.550 7.268 ( 1.816 2.934 0.492) 3.486 7.306 ( 0.946 2.116 1.047) 2.544 7.327 ( 0.498 1.639 0.972) 1.970 7.372 ( 1.457 -2.272 1.327) 3.007 7.614 ( -2.501 2.275 -2.832) 4.410 7.624 ( -3.611 1.719 -0.669) 4.055 8.321 ( -4.794 5.112 -3.501) 7.834 8.428 ( 1.583 -1.057 -3.980) 4.412 8.565 ( -0.024 4.565 5.092) 6.838 8.636 ( -1.881 -0.015 3.797) 4.237 8.939 ( -0.969 -0.181 3.212) 3.360 8.952 ( 2.133 -0.443 1.685) 2.754 9.104 ( -1.938 6.143 -4.933) 8.113 9.334 ( -4.172 -4.759 -5.025) 8.082 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.649 -12.771 -1.394) 12.863 0.999 ( -6.326 -15.572 3.136) 17.098 1.557 ( 10.669 4.793 10.622) 15.800 1.717 ( -4.960 4.201 4.280) 7.782 1.834 ( 1.232 3.669 -9.128) 9.915 1.851 ( -0.302 7.879 8.738) 11.769 1.957 ( 2.098 -2.437 5.144) 6.066 2.103 ( -6.410 -7.472 -5.269) 11.165 2.347 ( -8.228 15.713 -2.104) 17.862 2.660 ( 0.430 6.861 -1.369) 7.010 2.745 ( -0.468 -0.346 -1.621) 1.722 3.011 ( -3.085 -14.514 0.053) 14.838 3.046 ( -1.071 4.436 0.598) 4.602 3.286 ( 1.882 9.807 3.177) 10.479 3.379 ( 3.013 -1.380 -1.997) 3.869 3.428 ( -0.405 4.970 -0.243) 4.993 3.495 ( 2.768 0.987 -1.703) 3.396 3.655 ( -3.375 0.924 1.910) 3.986 3.766 ( 3.470 -2.169 -3.141) 5.159 3.803 ( -1.901 -0.102 0.362) 1.938 3.877 ( -2.289 -2.382 -0.311) 3.318 3.980 ( -0.186 7.713 -1.599) 7.879 4.024 ( -0.693 4.128 -0.173) 4.190 4.120 ( -0.214 -4.765 0.153) 4.772 4.261 ( -0.270 5.666 -0.274) 5.679 4.302 ( 3.626 -1.095 1.016) 3.922 4.456 ( 0.643 -5.327 0.723) 5.414 4.555 ( -1.830 -0.901 0.256) 2.055 4.637 ( 1.326 2.616 0.378) 2.957 4.802 ( -2.818 1.625 2.714) 4.237 4.817 ( 2.655 4.822 -1.768) 5.782 4.894 ( -3.144 6.529 0.785) 7.289 5.102 ( 0.192 -5.428 -0.808) 5.491 5.245 ( 2.635 -3.414 2.305) 4.890 5.301 ( -0.367 -6.270 -3.465) 7.173 5.411 ( -5.084 -13.524 2.466) 14.657 5.714 ( 2.107 2.960 0.195) 3.639 5.850 ( 1.366 -5.551 -2.337) 6.176 5.992 ( 2.480 2.907 -0.707) 3.885 6.126 ( 0.312 -0.283 2.269) 2.308 6.353 ( 1.611 -3.793 -0.882) 4.214 6.491 ( 1.703 4.714 -0.172) 5.015 6.586 ( 2.285 -7.511 -3.745) 8.698 6.595 ( 0.821 -5.209 4.270) 6.785 6.821 ( 0.514 -0.821 0.203) 0.989 6.874 ( 1.103 -3.017 -0.611) 3.270 7.295 ( 0.605 1.752 0.093) 1.856 7.323 ( 0.404 0.562 0.107) 0.701 7.337 ( 0.436 2.983 0.722) 3.100 7.410 ( 1.537 -0.971 1.874) 2.611 7.537 ( -2.716 4.085 -1.843) 5.241 7.589 ( -0.753 1.254 -0.806) 1.670 8.243 ( -2.005 6.407 -1.178) 6.816 8.450 ( 0.435 -3.759 -2.513) 4.542 8.572 ( 0.320 3.548 1.360) 3.813 8.600 ( -1.059 0.929 2.979) 3.296 8.929 ( -0.091 2.153 0.983) 2.369 9.002 ( 1.142 -0.339 0.731) 1.398 9.091 ( 1.054 2.552 -1.261) 3.035 9.248 ( -3.110 -4.771 -2.640) 6.277 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 -19.407 0.000) 19.407 1.091 ( 0.000 19.407 0.000) 19.407 1.547 ( 0.000 -23.367 0.000) 23.367 1.547 ( 0.000 23.367 0.000) 23.367 1.886 ( 0.000 -2.291 0.000) 2.291 1.886 ( 0.000 2.291 0.000) 2.291 2.195 ( 0.000 -9.239 0.000) 9.239 2.195 ( 0.000 9.239 0.000) 9.239 2.912 ( 0.000 -10.617 0.000) 10.617 2.912 ( 0.000 10.617 0.000) 10.617 2.969 ( 0.000 -5.767 0.000) 5.767 2.969 ( 0.000 5.767 0.000) 5.767 3.219 ( 0.000 -3.266 0.000) 3.266 3.219 ( 0.000 3.266 0.000) 3.266 3.367 ( 0.000 -2.784 0.000) 2.784 3.367 ( 0.000 2.784 0.000) 2.784 3.585 ( 0.000 -0.460 0.000) 0.460 3.585 ( 0.000 0.460 0.000) 0.460 3.849 ( 0.000 -6.483 0.000) 6.483 3.849 ( 0.000 6.483 0.000) 6.483 3.865 ( 0.000 -6.301 0.000) 6.301 3.865 ( 0.000 6.301 0.000) 6.301 4.034 ( 0.000 -4.075 0.000) 4.075 4.034 ( 0.000 4.075 0.000) 4.075 4.365 ( 0.000 -4.639 0.000) 4.639 4.365 ( 0.000 4.639 0.000) 4.639 4.503 ( 0.000 -2.933 0.000) 2.933 4.503 ( 0.000 2.933 0.000) 2.933 4.653 ( 0.000 -13.677 0.000) 13.677 4.653 ( 0.000 13.677 0.000) 13.677 4.967 ( 0.000 -4.248 0.000) 4.248 4.967 ( 0.000 4.248 0.000) 4.248 5.028 ( 0.000 -2.322 0.000) 2.322 5.028 ( 0.000 2.322 0.000) 2.322 5.522 ( 0.000 -0.380 0.000) 0.380 5.522 ( 0.000 0.380 0.000) 0.380 5.621 ( 0.000 -0.125 0.000) 0.125 5.621 ( 0.000 0.125 0.000) 0.125 5.802 ( 0.000 -7.544 0.000) 7.544 5.802 ( 0.000 7.544 0.000) 7.544 6.185 ( 0.000 -3.271 0.000) 3.271 6.185 ( 0.000 3.271 0.000) 3.271 6.396 ( 0.000 -2.610 0.000) 2.610 6.396 ( 0.000 2.610 0.000) 2.610 6.769 ( 0.000 -1.791 0.000) 1.791 6.769 ( 0.000 1.791 0.000) 1.791 7.274 ( 0.000 -2.786 0.000) 2.786 7.274 ( 0.000 2.786 0.000) 2.786 7.320 ( 0.000 -0.502 0.000) 0.502 7.320 ( 0.000 0.502 0.000) 0.502 7.717 ( 0.000 -1.653 0.000) 1.653 7.717 ( 0.000 1.653 0.000) 1.653 8.407 ( 0.000 -1.194 0.000) 1.194 8.407 ( 0.000 1.194 0.000) 1.194 8.626 ( 0.000 -0.229 0.000) 0.229 8.626 ( 0.000 0.229 0.000) 0.229 8.996 ( 0.000 -0.587 0.000) 0.587 8.996 ( 0.000 0.587 0.000) 0.587 9.345 ( 0.000 -6.617 0.000) 6.617 9.345 ( 0.000 6.617 0.000) 6.617 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.615 -11.015 11.486) 16.128 1.135 ( 2.615 11.015 11.486) 16.128 1.375 ( -9.742 -18.590 9.104) 22.878 1.375 ( -9.742 18.590 9.104) 22.878 1.948 ( 2.000 -2.209 -1.741) 3.452 1.948 ( 2.000 2.209 -1.741) 3.452 2.228 ( 1.461 -8.935 -5.183) 10.432 2.228 ( 1.461 8.935 -5.183) 10.432 2.795 ( -7.288 -3.884 0.202) 8.261 2.795 ( -7.288 3.884 0.202) 8.261 2.956 ( -1.860 -7.610 -2.288) 8.161 2.956 ( -1.860 7.610 -2.288) 8.161 3.209 ( -1.796 -3.609 1.481) 4.295 3.209 ( -1.796 3.609 1.481) 4.295 3.400 ( 0.578 -7.063 1.312) 7.207 3.400 ( 0.578 7.063 1.312) 7.207 3.607 ( 3.330 -3.977 -3.951) 6.520 3.607 ( 3.330 3.977 -3.951) 6.520 3.772 ( -4.523 -6.672 -0.232) 8.064 3.772 ( -4.523 6.672 -0.232) 8.064 3.909 ( 3.652 -5.487 1.708) 6.809 3.909 ( 3.652 5.487 1.708) 6.809 4.060 ( 1.786 -6.845 1.716) 7.280 4.060 ( 1.786 6.845 1.716) 7.280 4.276 ( -6.384 -3.661 -0.926) 7.417 4.276 ( -6.384 3.661 -0.926) 7.417 4.493 ( -0.221 -4.847 -0.235) 4.858 4.493 ( -0.221 4.847 -0.235) 4.858 4.740 ( 5.332 -11.822 0.278) 12.972 4.740 ( 5.332 11.822 0.278) 12.972 4.903 ( -3.396 -3.788 2.519) 5.676 4.903 ( -3.396 3.788 2.519) 5.676 5.114 ( 3.448 -4.090 -0.687) 5.393 5.114 ( 3.448 4.090 -0.687) 5.393 5.523 ( -3.373 -9.158 2.910) 10.184 5.523 ( -3.373 9.158 2.910) 10.184 5.573 ( 1.023 -9.329 -0.551) 9.401 5.573 ( 1.023 9.329 -0.551) 9.401 5.876 ( 5.500 -7.506 -1.791) 9.476 5.876 ( 5.500 7.506 -1.791) 9.476 6.228 ( 3.634 -3.684 -1.126) 5.296 6.228 ( 3.634 3.684 -1.126) 5.296 6.437 ( 3.430 -3.269 0.240) 4.744 6.437 ( 3.430 3.269 0.240) 4.744 6.780 ( 0.981 -1.444 -0.422) 1.796 6.780 ( 0.981 1.444 -0.422) 1.796 7.290 ( 1.273 -2.907 0.966) 3.317 7.290 ( 1.273 2.907 0.966) 3.317 7.323 ( 0.391 -0.892 0.451) 1.073 7.323 ( 0.391 0.892 0.451) 1.073 7.692 ( -2.087 -1.296 -1.154) 2.714 7.692 ( -2.087 1.296 -1.154) 2.714 8.408 ( -0.056 -0.444 -2.619) 2.657 8.408 ( -0.056 0.444 -2.619) 2.657 8.632 ( 0.209 -1.454 2.736) 3.105 8.632 ( 0.209 1.454 2.736) 3.105 8.962 ( -2.365 -0.680 2.804) 3.730 8.962 ( -2.365 0.680 2.804) 3.730 9.306 ( -3.164 -6.852 -4.549) 8.812 9.306 ( -3.164 6.852 -4.549) 8.812 ======================= Grid point 25 (15/88) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -11.630 -14.925 7.934) 20.518 1.005 ( -11.630 14.925 7.934) 20.518 1.434 ( 11.322 -8.899 13.466) 19.716 1.434 ( 11.322 8.899 13.466) 19.716 1.952 ( -1.117 -4.888 1.408) 5.208 1.952 ( -1.117 4.888 1.408) 5.208 2.144 ( -8.610 -5.252 -3.672) 10.733 2.144 ( -8.610 5.252 -3.672) 10.733 2.704 ( -2.149 -3.352 -1.922) 4.422 2.704 ( -2.149 3.352 -1.922) 4.422 2.873 ( -5.361 -10.258 -2.743) 11.895 2.873 ( -5.361 10.258 -2.743) 11.895 3.190 ( 0.270 -7.409 -0.764) 7.453 3.190 ( 0.270 7.409 -0.764) 7.453 3.377 ( -0.374 -3.393 5.620) 6.575 3.377 ( -0.374 3.393 5.620) 6.575 3.625 ( -1.045 -5.703 -6.176) 8.471 3.625 ( -1.045 5.703 -6.176) 8.471 3.775 ( 2.108 -6.393 -1.692) 6.941 3.775 ( 2.108 6.393 -1.692) 6.941 3.978 ( -0.084 -5.190 -1.434) 5.385 3.978 ( -0.084 5.190 -1.434) 5.385 4.104 ( 3.624 -5.107 3.288) 7.072 4.104 ( 3.624 5.107 3.288) 7.072 4.185 ( 0.041 -4.816 1.180) 4.959 4.185 ( 0.041 4.816 1.180) 4.959 4.480 ( -1.350 -5.967 -0.763) 6.165 4.480 ( -1.350 5.967 -0.763) 6.165 4.805 ( -2.737 -6.737 3.974) 8.287 4.805 ( -2.737 6.737 3.974) 8.287 4.867 ( 3.278 -8.434 -0.306) 9.053 4.867 ( 3.278 8.434 -0.306) 9.053 5.130 ( -1.020 -8.161 -0.913) 8.275 5.130 ( -1.020 8.161 -0.913) 8.275 5.389 ( -6.999 -7.533 1.055) 10.337 5.389 ( -6.999 7.533 1.055) 10.337 5.677 ( 5.643 -5.197 -0.004) 7.672 5.677 ( 5.643 5.197 -0.004) 7.672 5.998 ( 5.363 -6.623 -0.528) 8.539 5.998 ( 5.363 6.623 -0.528) 8.539 6.314 ( 3.848 -5.228 -0.870) 6.550 6.314 ( 3.848 5.228 -0.870) 6.550 6.517 ( 3.531 -3.252 0.145) 4.803 6.517 ( 3.531 3.252 0.145) 4.803 6.807 ( 1.341 -0.953 -0.625) 1.760 6.807 ( 1.341 0.953 -0.625) 1.760 7.312 ( 0.507 -1.595 -0.089) 1.676 7.312 ( 0.507 1.595 -0.089) 1.676 7.347 ( 1.878 -0.554 2.348) 3.057 7.347 ( 1.878 0.554 2.348) 3.057 7.637 ( -2.707 -0.238 -1.991) 3.369 7.637 ( -2.707 0.238 -1.991) 3.369 8.393 ( -1.349 -2.706 -4.167) 5.148 8.393 ( -1.349 2.706 -4.167) 5.148 8.623 ( -1.020 -1.584 5.080) 5.418 8.623 ( -1.020 1.584 5.080) 5.418 8.941 ( 0.720 -0.480 2.430) 2.580 8.941 ( 0.720 0.480 2.430) 2.580 9.227 ( -3.693 -6.346 -5.214) 9.005 9.227 ( -3.693 6.346 -5.214) 9.005 ======================= Grid point 27 (16/88) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -5.692 -2.911 2.468) 6.853 0.805 ( -5.692 2.911 2.468) 6.853 1.679 ( 8.863 -7.092 7.609) 13.665 1.679 ( 8.863 7.092 7.609) 13.665 1.901 ( -4.079 -4.797 2.417) 6.744 1.901 ( -4.079 4.797 2.417) 6.744 1.983 ( -3.631 -2.725 -3.354) 5.644 1.983 ( -3.631 2.725 -3.354) 5.644 2.640 ( -3.122 -12.962 -2.135) 13.503 2.640 ( -3.122 12.962 -2.135) 13.503 2.776 ( -2.487 -6.231 -0.210) 6.712 2.776 ( -2.487 6.231 -0.210) 6.712 3.199 ( 0.166 -10.615 -0.337) 10.621 3.199 ( 0.166 10.615 -0.337) 10.621 3.435 ( 4.588 -3.945 0.919) 6.120 3.435 ( 4.588 3.945 0.919) 6.120 3.602 ( -1.837 -5.782 -1.512) 6.252 3.602 ( -1.837 5.782 -1.512) 6.252 3.777 ( -0.818 -2.073 -1.119) 2.494 3.777 ( -0.818 2.073 -1.119) 2.494 3.913 ( -2.649 -6.486 0.476) 7.022 3.913 ( -2.649 6.486 0.476) 7.022 4.195 ( 1.969 -3.770 -2.724) 5.051 4.195 ( 1.969 3.771 -2.724) 5.051 4.259 ( 4.809 -7.381 3.142) 9.353 4.259 ( 4.809 7.381 3.142) 9.353 4.443 ( -1.495 -8.236 -0.301) 8.376 4.443 ( -1.495 8.236 -0.301) 8.376 4.721 ( -3.257 -6.080 1.721) 7.109 4.721 ( -3.257 6.080 1.721) 7.109 4.954 ( 3.256 -7.383 0.243) 8.073 4.954 ( 3.256 7.383 0.243) 8.073 5.104 ( -0.947 -11.480 -0.300) 11.523 5.104 ( -0.947 11.480 -0.300) 11.523 5.262 ( -3.921 -4.637 0.004) 6.072 5.262 ( -3.921 4.637 0.004) 6.072 5.764 ( 2.108 -3.309 -0.109) 3.925 5.764 ( 2.108 3.309 -0.109) 3.925 6.082 ( 2.181 -4.481 -0.002) 4.984 6.082 ( 2.181 4.481 -0.002) 4.984 6.374 ( 1.527 -6.830 -0.212) 7.002 6.374 ( 1.527 6.830 -0.212) 7.002 6.573 ( 1.429 -2.247 0.038) 2.663 6.573 ( 1.429 2.247 0.038) 2.663 6.828 ( 0.572 -1.498 -0.324) 1.636 6.828 ( 0.572 1.498 -0.324) 1.636 7.317 ( 0.113 -0.825 -0.057) 0.834 7.317 ( 0.113 0.825 -0.057) 0.834 7.386 ( 1.215 -1.827 1.464) 2.637 7.386 ( 1.215 1.827 1.464) 2.637 7.589 ( -1.399 -1.356 -1.303) 2.344 7.589 ( -1.399 1.356 -1.303) 2.344 8.359 ( -1.152 -5.619 -1.872) 6.033 8.359 ( -1.152 5.619 -1.872) 6.033 8.608 ( -0.358 -0.375 2.355) 2.411 8.608 ( -0.358 0.375 2.355) 2.411 8.976 ( 1.648 -2.271 1.469) 3.167 8.976 ( 1.648 2.271 1.469) 3.167 9.158 ( -2.187 -4.375 -2.739) 5.606 9.158 ( -2.187 4.375 -2.739) 5.606 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -8.665 0.000 16.994) 19.075 0.502 ( -13.020 0.000 23.750) 27.085 0.915 ( 17.963 0.000 40.017) 43.864 1.607 ( 2.658 0.000 -2.384) 3.571 1.931 ( 0.652 0.000 -0.665) 0.931 1.968 ( 1.666 0.000 1.888) 2.518 2.217 ( 2.599 0.000 -6.902) 7.375 2.564 ( 7.929 0.000 0.958) 7.987 2.716 ( 5.688 0.000 -2.845) 6.360 2.750 ( -3.275 0.000 -4.238) 5.356 2.947 ( -4.434 0.000 0.979) 4.541 3.088 ( 12.080 0.000 -3.942) 12.707 3.215 ( 5.503 0.000 4.882) 7.356 3.228 ( -0.619 0.000 1.172) 1.326 3.312 ( 5.285 0.000 0.422) 5.302 3.388 ( -7.329 0.000 -4.478) 8.589 3.389 ( -11.152 0.000 4.273) 11.943 3.646 ( 2.295 0.000 -1.862) 2.955 3.680 ( -2.080 0.000 -2.294) 3.096 3.712 ( -10.817 0.000 -2.858) 11.188 3.777 ( 6.633 0.000 0.710) 6.671 4.007 ( 4.008 0.000 -1.307) 4.215 4.099 ( -3.511 0.000 1.212) 3.714 4.128 ( -2.928 0.000 10.191) 10.603 4.255 ( -3.456 0.000 0.251) 3.465 4.285 ( -1.456 0.000 -13.523) 13.601 4.453 ( -2.245 0.000 -6.930) 7.284 4.575 ( 3.867 0.000 -7.027) 8.021 4.600 ( -1.742 0.000 -2.994) 3.464 4.718 ( -9.906 0.000 -1.175) 9.975 4.904 ( -1.797 0.000 1.127) 2.122 5.007 ( 2.834 0.000 -1.453) 3.185 5.033 ( 1.297 0.000 10.880) 10.957 5.199 ( 5.246 0.000 -0.845) 5.313 5.284 ( 2.175 0.000 -1.191) 2.480 5.324 ( 0.397 0.000 3.147) 3.172 5.409 ( -0.585 0.000 -10.707) 10.723 5.886 ( -0.773 0.000 -0.146) 0.787 6.072 ( -2.585 0.000 -9.562) 9.905 6.073 ( 0.790 0.000 4.930) 4.992 6.158 ( 0.278 0.000 4.338) 4.347 6.380 ( -1.152 0.000 2.689) 2.925 6.423 ( 2.146 0.000 9.891) 10.121 6.510 ( 0.269 0.000 -0.947) 0.984 6.778 ( 2.458 0.000 1.912) 3.115 7.026 ( -0.273 0.000 -4.313) 4.322 7.204 ( 0.176 0.000 0.955) 0.971 7.229 ( 2.173 0.000 -0.743) 2.297 7.316 ( 0.345 0.000 -0.213) 0.406 7.417 ( -3.716 0.000 8.209) 9.011 7.486 ( -0.010 0.000 -5.553) 5.553 7.961 ( 8.688 0.000 -3.179) 9.252 8.009 ( -0.337 0.000 -1.285) 1.329 8.369 ( -2.955 0.000 2.201) 3.685 8.455 ( -0.060 0.000 1.284) 1.285 8.616 ( 1.114 0.000 -0.457) 1.204 8.640 ( -3.710 0.000 1.555) 4.023 8.977 ( 1.777 0.000 -1.578) 2.377 9.190 ( 2.216 0.000 4.555) 5.065 9.943 ( -5.621 0.000 -1.632) 5.853 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 18.833 0.000 7.205) 20.165 0.571 ( 18.838 0.000 6.747) 20.010 1.380 ( 21.055 0.000 35.648) 41.401 1.644 ( 0.273 0.000 -0.087) 0.287 1.955 ( -0.014 0.000 -2.574) 2.575 2.074 ( 6.709 0.000 3.910) 7.765 2.195 ( -4.609 0.000 -1.844) 4.965 2.547 ( -11.889 0.000 -2.255) 12.101 2.575 ( -16.806 0.000 -7.049) 18.224 2.704 ( -8.856 0.000 -3.650) 9.578 2.904 ( 7.343 0.000 -0.167) 7.345 3.003 ( -17.294 0.000 6.712) 18.551 3.166 ( -8.033 0.000 -0.880) 8.081 3.254 ( 4.761 0.000 -2.141) 5.220 3.371 ( 4.603 0.000 1.074) 4.727 3.438 ( 13.692 0.000 -0.051) 13.692 3.441 ( 1.727 0.000 -4.090) 4.440 3.500 ( -4.618 0.000 -0.166) 4.621 3.638 ( -1.110 0.000 0.569) 1.247 3.745 ( 4.971 0.000 -2.131) 5.409 3.875 ( 0.458 0.000 0.987) 1.088 3.922 ( -9.980 0.000 0.105) 9.981 4.061 ( 3.809 0.000 0.055) 3.810 4.118 ( 1.169 0.000 5.995) 6.107 4.124 ( -6.463 0.000 -3.089) 7.163 4.233 ( -2.063 0.000 -11.362) 11.548 4.462 ( -0.284 0.000 -8.153) 8.158 4.501 ( 1.758 0.000 -5.313) 5.597 4.641 ( 1.795 0.000 -5.715) 5.990 4.803 ( 3.314 0.000 3.938) 5.147 4.853 ( -3.627 0.000 6.462) 7.411 5.020 ( -2.016 0.000 1.020) 2.259 5.036 ( -0.255 0.000 2.791) 2.803 5.264 ( 0.711 0.000 -15.883) 15.899 5.362 ( 3.151 0.000 4.173) 5.229 5.374 ( 4.554 0.000 1.176) 4.703 5.587 ( 7.272 0.000 -10.668) 12.910 5.898 ( 1.043 0.000 -6.407) 6.491 6.095 ( 0.322 0.000 10.481) 10.486 6.143 ( 8.670 0.000 -16.837) 18.939 6.173 ( 0.821 0.000 1.269) 1.511 6.382 ( 1.478 0.000 1.830) 2.352 6.448 ( 0.098 0.000 8.032) 8.033 6.578 ( 5.440 0.000 -0.598) 5.472 6.864 ( 5.066 0.000 3.107) 5.943 7.043 ( 1.939 0.000 -4.591) 4.984 7.211 ( 0.472 0.000 0.766) 0.900 7.265 ( 0.914 0.000 -0.898) 1.281 7.322 ( 0.103 0.000 -0.756) 0.763 7.330 ( -3.947 0.000 6.943) 7.987 7.476 ( -0.540 0.000 -4.805) 4.836 7.877 ( -10.475 0.000 7.185) 12.702 8.014 ( 0.823 0.000 -1.320) 1.556 8.345 ( 0.941 0.000 -0.058) 0.943 8.452 ( -0.301 0.000 1.135) 1.175 8.650 ( 2.616 0.000 0.745) 2.720 8.728 ( 7.161 0.000 -1.217) 7.263 8.993 ( 0.056 0.000 0.052) 0.076 9.199 ( -1.938 0.000 2.619) 3.257 9.597 ( -15.397 0.000 10.906) 18.868 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 21.258 0.000 1.341) 21.300 1.055 ( 23.219 0.000 -2.536) 23.357 1.589 ( -5.880 0.000 -0.467) 5.899 1.756 ( 6.728 0.000 18.787) 19.955 1.856 ( -5.426 0.000 -1.228) 5.563 2.029 ( -13.013 0.000 1.260) 13.074 2.046 ( -12.409 0.000 7.370) 14.433 2.183 ( -12.995 0.000 -1.897) 13.133 2.440 ( 3.808 0.000 -2.267) 4.432 2.493 ( -7.094 0.000 -0.945) 7.157 2.717 ( -8.457 0.000 7.353) 11.206 3.000 ( -6.695 0.000 -6.520) 9.345 3.021 ( 2.561 0.000 4.299) 5.004 3.326 ( -5.327 0.000 6.453) 8.368 3.338 ( -1.582 0.000 2.212) 2.720 3.479 ( -0.324 0.000 -8.472) 8.478 3.481 ( 5.621 0.000 -5.853) 8.115 3.618 ( -0.644 0.000 0.762) 0.998 3.679 ( 2.668 0.000 1.864) 3.255 3.801 ( 3.952 0.000 2.349) 4.598 3.836 ( 3.686 0.000 -0.975) 3.813 3.843 ( -1.549 0.000 2.846) 3.240 4.035 ( -1.926 0.000 -2.191) 2.917 4.122 ( -0.915 0.000 -3.940) 4.045 4.140 ( 2.919 0.000 -4.695) 5.528 4.241 ( 2.788 0.000 -3.165) 4.218 4.441 ( -0.319 0.000 -6.687) 6.694 4.570 ( 3.006 0.000 -1.947) 3.581 4.624 ( -3.672 0.000 -1.834) 4.104 4.750 ( -5.911 0.000 3.156) 6.700 4.755 ( -4.702 0.000 5.085) 6.926 4.993 ( -2.648 0.000 1.204) 2.909 5.056 ( 1.950 0.000 -1.554) 2.493 5.276 ( 1.705 0.000 -15.678) 15.770 5.452 ( 4.548 0.000 4.713) 6.550 5.466 ( 3.848 0.000 1.640) 4.183 5.673 ( 3.145 0.000 -8.559) 9.118 5.925 ( 2.154 0.000 -9.055) 9.307 6.088 ( -1.033 0.000 11.289) 11.336 6.181 ( -0.162 0.000 2.291) 2.297 6.261 ( 1.443 0.000 -11.615) 11.704 6.431 ( 2.509 0.000 1.569) 2.960 6.465 ( 1.577 0.000 -1.495) 2.173 6.708 ( 6.250 0.000 0.307) 6.257 6.972 ( 4.315 0.000 3.311) 5.439 7.096 ( 2.828 0.000 -4.342) 5.181 7.213 ( -4.730 0.000 4.356) 6.430 7.225 ( 0.821 0.000 0.426) 0.925 7.312 ( 0.910 0.000 1.408) 1.676 7.314 ( -0.791 0.000 -2.132) 2.274 7.465 ( -0.362 0.000 -3.868) 3.885 7.694 ( -6.265 0.000 10.185) 11.957 8.039 ( 1.442 0.000 -0.918) 1.710 8.389 ( 2.941 0.000 -0.910) 3.079 8.445 ( -0.261 0.000 0.955) 0.990 8.696 ( 1.278 0.000 3.504) 3.729 8.855 ( 3.752 0.000 -1.945) 4.226 9.010 ( 2.349 0.000 2.466) 3.405 9.127 ( -3.983 0.000 5.415) 6.722 9.390 ( -5.756 0.000 2.337) 6.213 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 5.853 0.000 -3.081) 6.614 1.457 ( 8.203 0.000 -4.099) 9.170 1.465 ( 5.017 0.000 -2.503) 5.607 1.583 ( -2.318 0.000 -9.862) 10.131 1.655 ( -17.160 0.000 -5.385) 17.985 1.785 ( -9.978 0.000 6.449) 11.880 1.860 ( -6.550 0.000 14.493) 15.905 2.110 ( 2.717 0.000 1.962) 3.351 2.253 ( -10.850 0.000 8.502) 13.785 2.640 ( -0.614 0.000 10.507) 10.524 2.655 ( 9.215 0.000 -3.713) 9.935 2.892 ( -3.340 0.000 -9.314) 9.895 3.025 ( -2.169 0.000 -0.262) 2.185 3.212 ( -5.189 0.000 12.304) 13.353 3.245 ( -4.878 0.000 0.516) 4.905 3.443 ( -0.667 0.000 -6.582) 6.616 3.571 ( 0.355 0.000 0.006) 0.355 3.652 ( 4.477 0.000 -2.347) 5.055 3.691 ( 0.914 0.000 2.484) 2.647 3.803 ( -0.972 0.000 4.567) 4.669 3.911 ( 3.454 0.000 -0.996) 3.595 3.982 ( 4.659 0.000 3.791) 6.007 4.020 ( 2.979 0.000 -1.972) 3.573 4.115 ( 0.495 0.000 -2.122) 2.179 4.215 ( 5.027 0.000 -3.723) 6.256 4.296 ( 1.893 0.000 -2.398) 3.055 4.423 ( -2.233 0.000 -5.433) 5.874 4.510 ( -5.110 0.000 -1.586) 5.350 4.551 ( -4.422 0.000 1.574) 4.694 4.679 ( -2.813 0.000 1.356) 3.123 4.697 ( 1.434 0.000 1.139) 1.832 4.901 ( -4.554 0.000 -0.426) 4.574 5.100 ( 1.907 0.000 -1.020) 2.163 5.317 ( 2.112 0.000 -13.572) 13.735 5.526 ( 1.399 0.000 4.472) 4.686 5.531 ( 2.000 0.000 1.738) 2.650 5.735 ( 2.666 0.000 -12.770) 13.046 5.985 ( 3.476 0.000 -8.086) 8.801 6.076 ( -0.032 0.000 11.670) 11.670 6.170 ( -0.827 0.000 2.277) 2.423 6.236 ( -2.278 0.000 -5.211) 5.687 6.475 ( 1.290 0.000 2.070) 2.440 6.489 ( 0.329 0.000 -5.317) 5.327 6.825 ( 4.155 0.000 -1.379) 4.378 7.031 ( 0.403 0.000 3.674) 3.696 7.109 ( -4.242 0.000 4.064) 5.875 7.141 ( 1.186 0.000 -3.614) 3.803 7.240 ( 0.212 0.000 -0.246) 0.325 7.300 ( -0.010 0.000 -2.578) 2.578 7.331 ( 0.920 0.000 2.607) 2.764 7.454 ( -0.612 0.000 -4.142) 4.187 7.612 ( -2.144 0.000 8.035) 8.316 8.067 ( 1.011 0.000 -0.361) 1.073 8.443 ( -0.009 0.000 0.935) 0.935 8.457 ( 3.185 0.000 -1.533) 3.535 8.701 ( -1.050 0.000 6.719) 6.800 8.884 ( -0.119 0.000 -0.859) 0.867 9.049 ( -1.343 0.000 3.935) 4.158 9.090 ( 1.257 0.000 2.791) 3.061 9.325 ( 0.181 0.000 -0.333) 0.379 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -21.465 0.000 -8.612) 23.129 1.424 ( 5.621 0.000 -7.299) 9.213 1.522 ( 4.922 0.000 -9.533) 10.729 1.591 ( -10.698 0.000 3.307) 11.198 1.656 ( 3.538 0.000 4.994) 6.120 1.670 ( 3.241 0.000 -2.980) 4.403 1.828 ( 1.757 0.000 13.168) 13.285 2.134 ( 3.214 0.000 4.642) 5.646 2.145 ( 0.262 0.000 -2.765) 2.778 2.644 ( 0.943 0.000 8.449) 8.501 2.754 ( -2.458 0.000 1.236) 2.751 2.856 ( 2.469 0.000 -12.050) 12.301 2.951 ( -3.293 0.000 -3.491) 4.799 3.135 ( -2.045 0.000 11.202) 11.388 3.199 ( 1.151 0.000 0.236) 1.175 3.485 ( 4.395 0.000 -2.078) 4.861 3.554 ( -1.438 0.000 0.560) 1.543 3.719 ( 1.413 0.000 -0.271) 1.438 3.724 ( 1.357 0.000 3.363) 3.626 3.768 ( -2.651 0.000 1.267) 2.939 3.971 ( 1.112 0.000 -1.219) 1.650 4.017 ( 2.571 0.000 3.832) 4.615 4.110 ( -0.799 0.000 -1.476) 1.678 4.117 ( 0.554 0.000 2.042) 2.116 4.329 ( 5.420 0.000 0.971) 5.507 4.336 ( 2.345 0.000 -1.680) 2.885 4.382 ( -1.297 0.000 -5.186) 5.345 4.458 ( -0.007 0.000 -5.745) 5.745 4.461 ( -2.147 0.000 -1.041) 2.386 4.643 ( 0.277 0.000 2.653) 2.667 4.722 ( 0.674 0.000 1.319) 1.482 4.855 ( 0.685 0.000 -2.597) 2.686 5.123 ( 0.001 0.000 -0.233) 0.233 5.344 ( 0.610 0.000 -9.623) 9.642 5.500 ( -3.688 0.000 4.838) 6.084 5.550 ( -0.326 0.000 -1.561) 1.594 5.764 ( 0.488 0.000 -14.663) 14.671 6.034 ( 0.070 0.000 -5.468) 5.468 6.098 ( 1.308 0.000 9.231) 9.323 6.152 ( -0.813 0.000 3.775) 3.861 6.204 ( 0.389 0.000 -3.827) 3.847 6.471 ( -1.718 0.000 -5.427) 5.692 6.485 ( -0.402 0.000 2.535) 2.566 6.854 ( -1.863 0.000 -4.102) 4.506 6.955 ( -5.425 0.000 0.458) 5.444 7.094 ( 1.165 0.000 7.807) 7.894 7.141 ( -1.016 0.000 -3.375) 3.524 7.228 ( -0.938 0.000 -0.656) 1.145 7.314 ( 0.880 0.000 -1.703) 1.917 7.363 ( 2.112 0.000 4.503) 4.974 7.441 ( -0.191 0.000 -5.169) 5.172 7.590 ( -0.506 0.000 6.390) 6.410 8.076 ( -0.236 0.000 -0.137) 0.272 8.445 ( 0.131 0.000 1.034) 1.042 8.520 ( 2.718 0.000 -2.327) 3.578 8.652 ( -3.679 0.000 8.034) 8.836 8.881 ( 0.122 0.000 -0.493) 0.508 9.007 ( -3.298 0.000 -0.051) 3.299 9.091 ( -0.031 0.000 4.500) 4.500 9.401 ( 5.866 0.000 2.123) 6.239 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -20.722 0.000 -2.290) 20.848 1.230 ( -20.967 0.000 7.886) 22.401 1.518 ( 2.068 0.000 -3.129) 3.751 1.523 ( -17.644 0.000 14.456) 22.810 1.714 ( 12.596 0.000 -9.027) 15.497 1.840 ( 12.645 0.000 0.439) 12.653 1.997 ( 6.184 0.000 -0.983) 6.262 2.183 ( 10.870 0.000 -4.477) 11.756 2.272 ( 5.503 0.000 -4.082) 6.852 2.679 ( 0.433 0.000 -0.772) 0.885 2.718 ( 2.961 0.000 5.682) 6.408 2.915 ( 2.784 0.000 -12.485) 12.791 2.946 ( 3.579 0.000 8.280) 9.021 3.147 ( 2.993 0.000 1.930) 3.562 3.260 ( 3.291 0.000 1.798) 3.750 3.520 ( -1.452 0.000 0.135) 1.459 3.575 ( -0.735 0.000 -1.157) 1.371 3.657 ( -0.745 0.000 0.367) 0.830 3.717 ( -1.554 0.000 1.274) 2.009 3.804 ( 3.492 0.000 1.778) 3.918 3.909 ( -5.801 0.000 -0.359) 5.813 4.049 ( -4.232 0.000 0.676) 4.285 4.108 ( 5.093 0.000 4.313) 6.674 4.150 ( 4.044 0.000 -5.610) 6.915 4.217 ( -10.328 0.000 0.481) 10.339 4.344 ( -2.175 0.000 -0.924) 2.363 4.470 ( 5.482 0.000 0.333) 5.493 4.472 ( 1.344 0.000 -7.475) 7.595 4.535 ( 4.434 0.000 -3.546) 5.677 4.731 ( 7.261 0.000 6.168) 9.527 4.736 ( 0.730 0.000 -1.348) 1.533 4.912 ( 4.758 0.000 -1.640) 5.033 5.091 ( -3.097 0.000 0.707) 3.177 5.327 ( -2.166 0.000 -6.332) 6.692 5.405 ( -4.410 0.000 4.915) 6.603 5.502 ( -4.184 0.000 -9.657) 10.525 5.754 ( -1.097 0.000 -8.314) 8.386 5.979 ( -3.955 0.000 -5.897) 7.100 6.105 ( -0.983 0.000 -0.226) 1.009 6.152 ( 0.358 0.000 11.497) 11.503 6.238 ( 1.552 0.000 -4.076) 4.361 6.426 ( -1.866 0.000 -5.994) 6.277 6.461 ( -1.799 0.000 2.672) 3.221 6.754 ( -7.176 0.000 -5.717) 9.175 6.839 ( -4.996 0.000 0.338) 5.007 7.102 ( -2.273 0.000 -3.634) 4.286 7.131 ( 1.900 0.000 6.051) 6.342 7.210 ( -0.636 0.000 0.000) 0.636 7.321 ( -0.179 0.000 -1.029) 1.044 7.423 ( 3.037 0.000 8.396) 8.928 7.450 ( 1.176 0.000 -5.714) 5.833 7.592 ( 0.872 0.000 6.156) 6.217 8.058 ( -1.292 0.000 -0.393) 1.350 8.449 ( 0.196 0.000 1.141) 1.158 8.533 ( -3.588 0.000 2.304) 4.264 8.597 ( 0.526 0.000 1.956) 2.025 8.872 ( -2.067 0.000 -2.140) 2.975 8.931 ( -2.147 0.000 -0.360) 2.177 9.108 ( 1.070 0.000 6.414) 6.503 9.550 ( 7.916 0.000 5.189) 9.465 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 2.877 0.000 25.977) 26.136 0.763 ( -22.026 0.000 11.744) 24.961 1.058 ( -23.763 0.000 23.148) 33.175 1.554 ( 2.059 0.000 -2.956) 3.603 1.950 ( 1.177 0.000 -4.574) 4.723 1.981 ( -0.472 0.000 -0.112) 0.486 2.039 ( 9.868 0.000 -5.996) 11.547 2.456 ( 13.608 0.000 -3.915) 14.160 2.561 ( 10.210 0.000 -5.222) 11.468 2.665 ( 6.575 0.000 -1.947) 6.857 2.806 ( 0.738 0.000 -0.599) 0.951 3.040 ( 10.863 0.000 -7.659) 13.292 3.070 ( 6.208 0.000 9.300) 11.182 3.193 ( -2.818 0.000 -2.751) 3.939 3.301 ( -0.052 0.000 4.286) 4.286 3.475 ( -1.644 0.000 0.170) 1.653 3.501 ( -1.135 0.000 1.133) 1.604 3.658 ( -3.391 0.000 -1.008) 3.538 3.718 ( 0.438 0.000 3.286) 3.316 3.772 ( -6.088 0.000 -3.222) 6.888 3.868 ( 1.957 0.000 3.785) 4.261 3.929 ( -6.346 0.000 -6.690) 9.221 4.083 ( 0.871 0.000 2.357) 2.513 4.202 ( -1.767 0.000 5.882) 6.141 4.228 ( 4.779 0.000 3.503) 5.925 4.292 ( -0.226 0.000 -11.035) 11.037 4.508 ( 2.385 0.000 -7.289) 7.669 4.538 ( -0.725 0.000 -4.763) 4.818 4.551 ( -0.593 0.000 -0.467) 0.754 4.762 ( 2.081 0.000 -2.510) 3.260 4.889 ( 5.392 0.000 5.596) 7.771 5.015 ( -2.584 0.000 5.342) 5.934 5.056 ( 7.779 0.000 2.004) 8.033 5.244 ( -5.954 0.000 -10.012) 11.648 5.338 ( -1.886 0.000 3.593) 4.058 5.371 ( -7.565 0.000 -10.123) 12.637 5.637 ( -12.381 0.000 -11.324) 16.779 5.912 ( -1.457 0.000 -6.209) 6.378 6.077 ( -1.152 0.000 0.122) 1.159 6.156 ( -0.222 0.000 9.429) 9.432 6.206 ( -5.888 0.000 -10.231) 11.804 6.396 ( -0.473 0.000 -0.750) 0.887 6.417 ( -2.185 0.000 2.681) 3.459 6.574 ( -6.999 0.000 0.030) 6.999 6.768 ( -1.536 0.000 0.779) 1.722 7.053 ( -1.937 0.000 -3.923) 4.375 7.178 ( 2.351 0.000 2.488) 3.423 7.202 ( -0.123 0.000 0.714) 0.725 7.314 ( -0.215 0.000 -0.567) 0.607 7.464 ( -0.479 0.000 9.369) 9.381 7.476 ( 1.110 0.000 -5.706) 5.813 7.689 ( 9.835 0.000 7.994) 12.674 8.028 ( -1.325 0.000 -0.904) 1.604 8.440 ( -4.108 0.000 4.050) 5.769 8.453 ( 0.176 0.000 1.261) 1.273 8.609 ( -0.039 0.000 -1.177) 1.178 8.784 ( -5.854 0.000 -3.906) 7.038 8.932 ( 1.666 0.000 -0.321) 1.697 9.139 ( 1.803 0.000 7.586) 7.797 9.760 ( 12.171 0.000 7.569) 14.332 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 14.272 18.022 5.840) 23.719 0.798 ( 4.001 13.832 23.694) 27.726 1.166 ( -2.463 26.183 24.603) 36.013 1.632 ( 4.237 -1.750 -4.424) 6.370 1.787 ( 3.383 -2.924 3.240) 5.522 2.091 ( -1.113 2.935 -1.978) 3.710 2.168 ( 2.300 -5.935 -4.006) 7.521 2.490 ( 4.309 -5.905 1.766) 7.520 2.704 ( 1.880 -0.471 -3.308) 3.833 2.796 ( 2.678 3.381 -3.267) 5.411 2.952 ( -7.947 1.399 -1.623) 8.231 3.064 ( 14.307 0.045 -1.840) 14.424 3.220 ( -3.113 -0.258 4.724) 5.663 3.276 ( 1.203 -2.793 2.886) 4.192 3.337 ( -13.235 -6.656 -1.665) 14.908 3.352 ( -1.572 10.671 0.411) 10.794 3.424 ( 5.252 5.140 -4.398) 8.564 3.645 ( 2.644 -1.432 -1.772) 3.489 3.668 ( -3.370 -4.441 -0.653) 5.613 3.697 ( 0.139 4.811 1.256) 4.974 3.880 ( 1.280 9.121 -1.528) 9.336 3.983 ( 3.367 -1.255 0.598) 3.642 4.100 ( -3.621 -0.159 0.050) 3.625 4.161 ( -4.862 0.359 4.877) 6.896 4.208 ( -2.414 -5.132 -6.382) 8.538 4.254 ( -1.209 -0.529 -0.574) 1.439 4.463 ( -4.835 -1.603 -3.798) 6.354 4.524 ( 5.954 -2.123 -2.060) 6.648 4.616 ( 1.578 4.594 -7.593) 9.014 4.768 ( 0.085 -0.092 1.069) 1.076 4.864 ( -1.725 -5.765 7.086) 9.296 4.998 ( -1.554 2.978 -1.730) 3.779 5.014 ( 1.942 -0.684 -1.493) 2.543 5.174 ( -1.488 -0.675 -0.074) 1.636 5.297 ( 3.955 2.660 -0.466) 4.789 5.324 ( -0.110 -1.163 -4.171) 4.331 5.477 ( 2.523 4.245 -4.859) 6.927 5.838 ( -0.132 -4.958 -0.434) 4.979 5.946 ( 1.581 -7.728 -6.803) 10.417 6.074 ( -2.857 -5.664 6.507) 9.088 6.208 ( -0.901 2.141 -0.995) 2.527 6.372 ( -1.222 -0.010 1.740) 2.126 6.402 ( 0.810 -1.836 7.338) 7.608 6.511 ( 0.713 0.035 1.559) 1.715 6.751 ( 1.548 -1.226 1.459) 2.455 7.017 ( -0.148 -10.434 8.069) 13.191 7.101 ( 0.651 5.270 -2.052) 5.693 7.232 ( 0.405 2.610 0.976) 2.816 7.309 ( 0.077 0.427 1.054) 1.140 7.417 ( -0.478 -2.286 -0.107) 2.338 7.569 ( -1.262 5.125 -1.942) 5.624 7.773 ( 0.725 -4.079 1.103) 4.288 8.312 ( 0.653 5.872 -8.616) 10.447 8.384 ( -2.815 0.967 -0.931) 3.118 8.587 ( 8.041 8.056 -1.978) 11.552 8.618 ( 0.996 0.292 -0.401) 1.113 8.675 ( -6.814 7.942 -2.874) 10.852 8.981 ( 1.542 0.305 -1.359) 2.078 9.209 ( 0.905 1.749 3.465) 3.985 9.776 ( -5.198 -12.601 5.519) 14.705 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -1.922 17.717 14.888) 23.221 0.914 ( 21.785 21.487 -0.681) 30.606 1.451 ( 18.647 9.030 30.003) 36.462 1.699 ( 0.965 1.996 -2.283) 3.182 1.862 ( 4.181 -3.893 5.993) 8.280 2.078 ( -1.770 -0.615 -2.179) 2.874 2.143 ( -5.725 -7.441 1.525) 9.512 2.501 ( -10.248 -6.427 -3.738) 12.661 2.581 ( -7.907 2.197 -5.087) 9.656 2.740 ( -10.550 2.345 -0.204) 10.809 2.847 ( -4.343 -3.729 -2.726) 6.339 2.980 ( -4.203 2.254 2.259) 5.277 3.168 ( -0.954 -4.001 -5.567) 6.922 3.297 ( -0.434 4.409 0.880) 4.517 3.343 ( 2.256 0.376 5.204) 5.685 3.397 ( 6.102 -1.483 1.174) 6.389 3.493 ( -0.490 3.552 0.152) 3.589 3.574 ( 0.848 4.127 -7.682) 8.761 3.646 ( -0.752 -0.851 2.850) 3.068 3.794 ( 3.626 4.335 0.530) 5.677 3.912 ( -1.530 4.244 -1.601) 4.787 3.979 ( -4.289 5.272 -1.506) 6.961 4.017 ( -3.914 -5.397 -0.785) 6.713 4.058 ( 1.238 -0.021 -0.705) 1.425 4.162 ( 0.623 -3.001 -0.980) 3.218 4.207 ( -2.319 2.497 -0.446) 3.437 4.448 ( 2.378 -3.085 -1.908) 4.337 4.543 ( -0.929 4.841 -9.446) 10.655 4.706 ( -0.608 -0.002 -3.371) 3.426 4.737 ( 2.135 -2.444 0.057) 3.246 4.872 ( 0.449 0.733 5.637) 5.702 4.966 ( -1.465 0.317 1.141) 1.884 5.098 ( -2.333 2.147 -0.289) 3.184 5.186 ( 4.866 -5.837 -7.990) 11.027 5.309 ( 0.425 -2.129 -2.067) 2.997 5.420 ( 5.918 2.513 -1.079) 6.519 5.615 ( 5.880 2.128 -4.744) 7.849 5.820 ( -0.795 -6.757 -2.952) 7.416 5.999 ( 0.030 -9.097 2.036) 9.322 6.086 ( 7.757 -6.456 -7.163) 12.376 6.226 ( 1.119 2.793 1.151) 3.222 6.344 ( -0.409 -0.897 -0.622) 1.166 6.460 ( 3.471 -1.159 8.735) 9.471 6.569 ( 4.143 -0.429 -0.041) 4.165 6.813 ( 3.960 -2.836 1.946) 5.245 7.025 ( 0.357 -11.959 7.695) 14.226 7.131 ( 2.047 5.846 -1.755) 6.438 7.245 ( 0.803 3.103 0.931) 3.338 7.314 ( 0.385 1.113 1.473) 1.886 7.412 ( 0.115 -1.189 -0.123) 1.201 7.528 ( -2.424 4.981 -3.583) 6.598 7.743 ( -3.340 -4.633 2.936) 6.422 8.241 ( -6.286 8.316 -6.427) 12.246 8.350 ( 0.570 0.469 -0.329) 0.808 8.556 ( -2.988 9.248 1.887) 9.900 8.662 ( 2.251 1.402 0.685) 2.739 8.753 ( 7.011 3.551 -3.811) 8.734 8.995 ( 0.029 0.203 -0.043) 0.210 9.192 ( -2.650 -0.587 3.081) 4.106 9.531 ( -12.161 -6.121 8.392) 15.993 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 14.343 -2.624 5.077) 15.440 1.357 ( 17.630 16.182 -0.737) 23.942 1.639 ( -7.388 2.526 -0.175) 7.810 1.793 ( -11.434 -8.572 5.310) 15.245 1.815 ( 5.291 6.410 11.215) 13.959 1.928 ( -9.662 -1.030 2.346) 9.996 2.004 ( 1.699 -5.049 6.714) 8.571 2.229 ( -14.333 0.995 -5.039) 15.225 2.461 ( -8.400 1.007 1.881) 8.667 2.545 ( 0.369 5.973 -3.641) 7.005 2.682 ( -4.855 -1.780 4.299) 6.724 3.023 ( -2.957 2.781 -0.828) 4.143 3.100 ( 0.489 3.756 -6.466) 7.493 3.321 ( -2.620 -6.095 -0.279) 6.640 3.352 ( -1.108 2.141 5.259) 5.785 3.370 ( -1.230 1.596 4.699) 5.113 3.551 ( 1.691 -3.003 -0.571) 3.493 3.594 ( 2.828 3.238 -7.057) 8.264 3.714 ( 5.095 -2.848 3.594) 6.855 3.777 ( -3.475 6.522 0.770) 7.430 3.849 ( -0.517 2.348 2.944) 3.801 3.948 ( -1.288 -5.048 -3.435) 6.241 3.971 ( -0.413 3.949 -4.740) 6.183 4.095 ( 1.173 2.624 -1.985) 3.494 4.200 ( 1.792 1.926 -0.403) 2.662 4.222 ( 4.158 -3.191 -0.743) 5.294 4.477 ( -0.531 3.931 -4.612) 6.083 4.544 ( 1.510 -0.490 -2.629) 3.071 4.665 ( -0.734 -2.401 -0.052) 2.512 4.752 ( -5.447 5.361 -1.039) 7.713 4.799 ( -4.409 3.175 3.207) 6.309 4.943 ( -0.330 -3.297 1.522) 3.646 5.065 ( -0.900 -1.144 -4.950) 5.160 5.259 ( 2.841 -1.742 -7.926) 8.598 5.346 ( 3.303 -5.355 0.919) 6.359 5.520 ( 2.802 1.690 -2.434) 4.078 5.684 ( 1.691 0.195 -4.484) 4.796 5.827 ( 1.916 -7.979 -2.170) 8.488 5.984 ( -0.662 -9.278 2.036) 9.522 6.222 ( -0.848 3.597 2.665) 4.556 6.267 ( 6.510 -4.120 -9.991) 12.616 6.355 ( 1.016 -1.006 -1.138) 1.827 6.532 ( 2.400 2.308 3.970) 5.182 6.672 ( 5.205 -2.975 0.127) 5.997 6.905 ( 4.206 -3.918 1.944) 6.068 7.025 ( -0.823 -11.015 6.294) 12.713 7.179 ( 2.178 5.418 -2.048) 6.188 7.268 ( 1.254 3.268 0.854) 3.603 7.326 ( 0.642 1.722 2.208) 2.872 7.411 ( -0.841 1.786 -1.529) 2.497 7.475 ( -1.801 2.943 -3.668) 5.036 7.657 ( -3.919 -2.401 5.618) 7.259 8.137 ( -2.703 7.053 -2.370) 7.916 8.385 ( 2.472 -0.504 -1.159) 2.777 8.519 ( -1.147 7.173 1.745) 7.471 8.703 ( 1.148 0.680 3.619) 3.857 8.872 ( 3.350 1.786 -2.681) 4.647 9.009 ( 2.211 -0.145 2.258) 3.163 9.117 ( -3.681 -0.915 5.464) 6.652 9.351 ( -5.401 -3.868 1.178) 6.747 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 11.423 -15.470 -2.216) 19.357 1.345 ( -8.571 -10.321 -0.833) 13.442 1.505 ( -3.030 4.346 -7.503) 9.184 1.635 ( -13.882 2.349 -2.121) 14.238 1.695 ( -0.468 1.383 6.270) 6.438 1.917 ( 1.068 9.403 -1.071) 9.524 1.955 ( -10.510 8.123 2.444) 13.507 2.072 ( 1.339 -1.956 2.022) 3.116 2.264 ( -4.752 2.517 11.023) 12.265 2.628 ( 2.915 0.529 3.696) 4.737 2.698 ( 4.918 2.465 1.134) 5.617 2.916 ( -4.143 2.149 -6.332) 7.866 3.103 ( -2.732 7.146 -2.747) 8.129 3.255 ( -2.897 -6.111 1.670) 6.966 3.306 ( -1.909 6.529 2.943) 7.411 3.347 ( 0.226 2.438 4.087) 4.764 3.587 ( 0.362 -2.533 -0.154) 2.564 3.677 ( 1.296 2.436 -2.738) 3.887 3.693 ( 1.639 -1.112 1.500) 2.485 3.829 ( 1.148 1.739 0.709) 2.201 3.870 ( 2.616 1.905 2.962) 4.387 3.946 ( 1.516 -4.267 -0.044) 4.529 3.960 ( 1.067 -4.388 -1.586) 4.787 4.147 ( 3.677 4.368 0.267) 5.716 4.251 ( 2.321 0.156 -1.359) 2.694 4.283 ( 0.185 -3.870 -2.797) 4.779 4.458 ( 0.085 7.387 -4.028) 8.414 4.534 ( -2.382 -0.594 0.110) 2.458 4.571 ( -7.666 3.462 0.848) 8.455 4.701 ( 2.801 0.701 -2.236) 3.652 4.744 ( -1.583 5.630 0.749) 5.896 4.884 ( -4.520 -0.868 0.563) 4.637 5.083 ( 2.173 -2.711 -5.120) 6.187 5.298 ( 0.848 -2.445 -6.795) 7.271 5.434 ( 4.047 -7.048 3.451) 8.829 5.537 ( -0.865 -0.222 -4.814) 4.897 5.689 ( -0.439 -6.267 -5.429) 8.303 5.902 ( 4.275 -5.123 -0.337) 6.681 5.977 ( -0.180 -7.690 -2.358) 8.045 6.190 ( -1.875 3.689 3.010) 5.117 6.353 ( 1.755 5.611 -3.539) 6.862 6.379 ( 1.385 -5.634 -4.245) 7.189 6.557 ( -0.062 3.121 2.360) 3.913 6.768 ( 3.216 -4.959 -0.725) 5.955 6.968 ( -0.265 -5.095 2.146) 5.535 7.000 ( -0.078 -6.771 5.322) 8.612 7.211 ( 0.716 4.691 -2.177) 5.220 7.285 ( -0.015 2.714 0.842) 2.842 7.347 ( 1.228 1.910 0.025) 2.271 7.366 ( -2.357 3.800 -0.898) 4.561 7.460 ( 0.057 1.234 -2.326) 2.633 7.606 ( -1.045 -0.337 5.561) 5.668 8.114 ( 0.176 4.419 -0.719) 4.480 8.445 ( 3.014 -1.216 -1.747) 3.690 8.498 ( -0.976 5.056 1.132) 5.272 8.705 ( -1.236 0.454 6.771) 6.898 8.891 ( -0.411 0.764 -1.062) 1.371 9.046 ( -1.085 -0.326 3.384) 3.569 9.093 ( 1.553 0.383 2.603) 3.055 9.291 ( 0.448 -3.470 -0.567) 3.544 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -15.368 -5.780 -12.863) 20.858 1.295 ( 7.781 -11.819 -0.102) 14.150 1.420 ( -8.516 -14.415 8.821) 18.924 1.541 ( 0.329 0.806 -4.055) 4.147 1.559 ( 1.307 5.265 -4.070) 6.781 1.811 ( -2.845 9.754 4.738) 11.210 1.997 ( 7.322 11.279 -1.221) 13.502 2.012 ( -4.281 -7.746 -4.303) 9.841 2.342 ( 6.870 10.934 10.194) 16.452 2.655 ( -0.373 1.376 5.391) 5.576 2.771 ( -0.496 1.402 1.684) 2.246 2.867 ( 1.567 1.646 -9.365) 9.637 3.015 ( -3.707 6.685 -4.132) 8.690 3.193 ( -2.475 2.168 5.501) 6.410 3.306 ( 1.978 9.230 0.488) 9.452 3.389 ( 2.274 -3.513 3.679) 5.572 3.569 ( -0.813 -0.134 -1.205) 1.460 3.672 ( -1.108 -5.716 3.622) 6.856 3.765 ( 2.715 3.778 -1.180) 4.800 3.823 ( -1.364 5.542 0.107) 5.708 3.908 ( 1.895 -4.640 0.497) 5.036 3.993 ( 0.533 -4.974 -0.340) 5.014 4.019 ( 4.077 -0.498 4.586) 6.156 4.209 ( -2.543 3.602 -0.768) 4.475 4.259 ( 2.578 -6.449 -0.794) 6.991 4.283 ( 1.302 -3.212 0.017) 3.466 4.450 ( -2.879 1.931 -2.790) 4.450 4.494 ( 0.222 3.256 -3.464) 4.759 4.503 ( 1.243 6.450 -1.715) 6.789 4.694 ( -0.460 4.563 0.152) 4.588 4.777 ( 1.110 4.930 0.929) 5.138 4.825 ( 1.028 -2.361 -2.046) 3.289 5.120 ( 1.052 -1.344 -3.573) 3.959 5.286 ( -1.752 -5.453 -3.706) 6.822 5.480 ( -3.707 -3.092 -4.054) 6.304 5.494 ( 0.733 -5.195 3.457) 6.283 5.697 ( 1.414 -6.551 -10.538) 12.489 5.955 ( -0.973 -6.249 1.379) 6.473 5.972 ( 0.589 -6.929 -4.835) 8.470 6.155 ( -1.335 2.635 3.202) 4.357 6.372 ( 0.582 8.262 0.080) 8.283 6.389 ( -0.540 -5.305 -5.238) 7.475 6.537 ( -1.708 2.356 2.264) 3.687 6.789 ( -1.476 -5.794 -1.883) 6.269 6.901 ( -4.327 -4.171 2.225) 6.409 7.023 ( 0.705 -4.611 5.797) 7.441 7.201 ( -1.495 4.142 -2.731) 5.182 7.270 ( -1.270 2.544 0.254) 2.855 7.323 ( -0.950 1.662 -0.872) 2.104 7.389 ( 1.756 0.296 0.800) 1.952 7.476 ( 2.008 4.088 -1.613) 4.832 7.603 ( 0.314 1.270 4.468) 4.656 8.131 ( 1.303 5.334 -0.264) 5.497 8.473 ( -0.886 2.782 0.104) 2.921 8.514 ( 3.041 -0.860 -1.631) 3.556 8.650 ( -3.980 -0.184 7.495) 8.488 8.888 ( 0.256 0.752 -0.346) 0.866 9.003 ( -3.332 -0.484 -0.308) 3.381 9.104 ( 0.517 1.439 4.088) 4.364 9.373 ( 5.971 -2.863 2.059) 6.935 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -18.515 3.928 -3.329) 19.218 1.024 ( -22.586 -12.891 13.224) 29.175 1.534 ( -0.952 -0.934 -4.470) 4.664 1.653 ( 18.797 -12.559 0.007) 22.607 1.711 ( -1.154 9.227 -0.203) 9.301 1.814 ( 9.409 10.263 -0.562) 13.935 1.905 ( -4.024 -6.794 -0.581) 7.917 2.256 ( 14.769 4.142 -4.611) 16.017 2.374 ( -3.227 8.916 -0.383) 9.490 2.709 ( 4.844 -0.437 6.666) 8.252 2.736 ( -0.404 5.676 -0.832) 5.751 2.933 ( 3.944 2.312 -9.761) 10.779 3.011 ( 3.608 5.119 2.637) 6.796 3.181 ( 1.643 3.850 2.194) 4.726 3.359 ( 2.374 9.085 2.627) 9.750 3.424 ( 1.022 -9.196 1.573) 9.385 3.571 ( -1.476 0.690 -0.452) 1.691 3.589 ( -4.201 -5.395 0.299) 6.844 3.772 ( -1.157 4.285 0.980) 4.545 3.836 ( 1.901 2.239 1.109) 3.139 3.919 ( -1.817 0.147 0.305) 1.848 3.997 ( -0.400 -3.993 -4.959) 6.380 4.095 ( 2.022 -1.536 2.517) 3.576 4.162 ( 2.217 1.840 -0.455) 2.917 4.213 ( -6.544 1.376 3.253) 7.436 4.319 ( 0.288 -7.416 -0.857) 7.470 4.427 ( -0.390 0.819 -1.649) 1.882 4.520 ( 1.073 1.709 -0.155) 2.024 4.547 ( 3.433 2.041 -6.154) 7.336 4.724 ( 2.419 2.664 -1.336) 3.839 4.806 ( 2.736 1.622 2.582) 4.096 4.897 ( 4.552 0.258 -0.952) 4.658 5.115 ( -1.210 1.847 -2.537) 3.364 5.242 ( -1.522 -6.731 -0.457) 6.916 5.380 ( -5.125 -4.000 -3.297) 7.289 5.473 ( -3.090 -2.723 -5.098) 6.553 5.714 ( -0.394 -3.845 -9.558) 10.310 5.924 ( -1.055 -6.793 1.864) 7.122 5.933 ( -4.273 -8.672 -5.250) 11.001 6.132 ( -1.083 -1.391 3.947) 4.323 6.359 ( -1.765 -2.286 -5.931) 6.597 6.378 ( -0.431 5.533 4.355) 7.055 6.493 ( -2.279 1.023 0.479) 2.543 6.700 ( -6.569 -5.153 -1.023) 8.412 6.810 ( -3.767 -1.431 1.449) 4.282 7.031 ( -0.142 -5.983 7.051) 9.249 7.155 ( -2.448 3.856 -3.252) 5.607 7.243 ( -1.065 2.510 0.068) 2.727 7.313 ( -0.275 0.236 0.619) 0.717 7.415 ( 0.821 -1.656 -0.751) 1.995 7.545 ( 3.471 5.831 -0.004) 6.785 7.624 ( 2.049 2.569 3.551) 4.838 8.168 ( 2.323 9.815 -1.935) 10.270 8.457 ( -0.415 1.011 1.226) 1.643 8.542 ( -3.590 0.771 1.919) 4.143 8.588 ( 1.098 -1.021 1.751) 2.305 8.876 ( -2.363 0.353 -1.896) 3.050 8.937 ( -1.293 0.398 -0.368) 1.402 9.131 ( 1.601 2.638 5.727) 6.505 9.518 ( 7.373 -3.267 4.680) 9.324 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -12.269 -4.791 20.990) 24.780 0.630 ( -3.331 8.583 16.711) 19.080 1.439 ( -13.461 19.465 8.916) 25.290 1.573 ( -1.046 2.049 -1.517) 2.756 1.778 ( -3.184 -4.690 2.880) 6.359 2.002 ( 12.804 -3.715 -3.774) 13.856 2.094 ( 4.206 2.120 -1.777) 5.034 2.378 ( 8.751 -4.074 -5.026) 10.883 2.608 ( 13.325 2.537 -3.976) 14.135 2.666 ( -0.097 1.630 -1.053) 1.943 2.844 ( 3.982 3.512 -1.960) 5.659 3.040 ( 3.840 0.251 -3.753) 5.376 3.129 ( 6.624 4.747 4.735) 9.425 3.224 ( 1.168 2.553 -1.134) 3.027 3.402 ( -0.692 5.295 2.438) 5.870 3.436 ( -3.908 1.806 1.287) 4.493 3.462 ( 3.500 -6.395 1.970) 7.551 3.587 ( -0.511 -1.634 -1.068) 2.018 3.707 ( -7.013 -3.180 -1.479) 7.841 3.837 ( -0.693 3.435 -0.446) 3.532 3.894 ( -5.002 -1.841 -5.181) 7.433 3.920 ( 0.328 5.564 2.555) 6.131 4.107 ( -0.350 3.082 0.911) 3.233 4.186 ( 3.526 -2.266 1.499) 4.452 4.234 ( 1.127 -2.175 -3.590) 4.346 4.291 ( -2.530 1.811 4.427) 5.411 4.402 ( 1.260 -7.835 -1.237) 8.032 4.540 ( -1.165 -1.371 -3.232) 3.699 4.589 ( 1.900 3.243 -5.856) 6.958 4.757 ( 0.786 1.237 -3.244) 3.560 4.872 ( 1.801 -6.149 7.136) 9.591 4.979 ( 1.554 3.024 0.207) 3.407 5.118 ( 1.810 1.843 -0.328) 2.604 5.228 ( -0.787 0.710 -4.743) 4.860 5.254 ( -6.086 -7.319 -3.764) 10.236 5.373 ( -4.718 -0.510 -5.084) 6.954 5.602 ( -10.318 -1.966 -9.330) 14.049 5.842 ( -1.573 -6.510 -2.520) 7.156 5.930 ( 0.810 -7.249 -1.756) 7.502 6.111 ( -1.045 -5.551 5.481) 7.871 6.293 ( -4.911 1.335 -4.519) 6.806 6.365 ( -0.182 0.808 7.403) 7.449 6.443 ( -2.527 0.110 -2.278) 3.404 6.555 ( -5.276 -1.686 3.241) 6.417 6.751 ( -1.601 -0.508 0.955) 1.932 7.025 ( -0.604 -8.538 8.125) 11.802 7.109 ( -1.367 4.749 -3.124) 5.846 7.229 ( -0.211 2.349 0.575) 2.427 7.309 ( -0.082 0.142 0.982) 0.995 7.424 ( 0.005 -2.477 -0.480) 2.524 7.581 ( 0.237 4.824 -0.261) 4.836 7.710 ( 4.683 0.736 1.708) 5.039 8.242 ( 4.856 13.697 -7.501) 16.354 8.443 ( -2.742 0.240 1.195) 3.001 8.480 ( 1.004 2.987 4.872) 5.802 8.608 ( 0.281 -0.068 -1.370) 1.400 8.801 ( -4.309 1.897 -4.126) 6.260 8.943 ( 1.386 0.843 -0.499) 1.697 9.172 ( 1.933 3.327 6.049) 7.169 9.692 ( 8.429 -6.377 6.891) 12.618 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 16.873 18.060 2.997) 24.897 1.110 ( 7.827 20.253 13.541) 25.589 1.422 ( 6.810 -11.111 -0.665) 13.049 1.721 ( -3.569 16.628 8.081) 18.829 1.825 ( 2.114 3.950 4.806) 6.570 1.988 ( 0.016 -9.356 1.579) 9.488 2.102 ( -1.901 0.281 -1.718) 2.578 2.383 ( -1.051 -5.645 2.119) 6.121 2.742 ( -1.277 4.959 -2.740) 5.808 2.860 ( 3.226 3.938 -1.647) 5.350 2.982 ( 1.784 -1.279 -4.265) 4.797 3.098 ( -2.031 3.548 -0.385) 4.107 3.134 ( 0.735 -6.707 2.461) 7.182 3.235 ( -5.364 -2.281 -5.590) 8.076 3.319 ( -1.649 4.268 4.922) 6.720 3.461 ( 3.582 -0.528 -5.688) 6.742 3.497 ( -0.892 -2.407 -8.454) 8.835 3.572 ( 1.305 -1.768 2.912) 3.648 3.681 ( -2.389 4.708 3.482) 6.324 3.804 ( 2.530 7.338 4.187) 8.820 3.903 ( 1.221 -5.233 -3.946) 6.666 4.038 ( -2.794 -1.879 -0.452) 3.397 4.079 ( 3.707 0.918 2.920) 4.807 4.116 ( -3.663 1.762 2.473) 4.757 4.234 ( -1.252 1.956 -2.770) 3.615 4.302 ( 0.789 9.298 1.335) 9.427 4.402 ( -3.336 -3.399 -2.958) 5.606 4.513 ( 3.536 0.134 -0.298) 3.551 4.620 ( -1.368 -6.325 4.267) 7.751 4.711 ( 0.640 -0.554 -9.489) 9.527 4.896 ( 3.046 3.822 1.609) 5.145 5.003 ( 1.088 -0.255 -3.595) 3.765 5.011 ( -1.662 -0.461 -0.928) 1.958 5.136 ( 0.354 -4.337 1.466) 4.592 5.318 ( -0.230 2.162 -6.312) 6.676 5.414 ( 1.309 7.943 -0.366) 8.058 5.521 ( 4.297 0.908 -7.391) 8.597 5.705 ( 0.404 -8.001 -2.344) 8.347 5.804 ( -1.627 -6.463 -6.171) 9.083 5.907 ( -1.495 -10.465 3.819) 11.241 6.233 ( -1.545 1.785 2.373) 3.348 6.351 ( -2.073 -3.116 0.376) 3.761 6.396 ( 0.663 2.192 8.521) 8.824 6.500 ( 0.824 -1.572 6.373) 6.615 6.755 ( 0.425 1.475 1.207) 1.952 6.873 ( -0.925 -5.287 5.114) 7.414 7.202 ( 0.938 4.614 -0.902) 4.794 7.284 ( 1.030 2.270 0.915) 2.655 7.316 ( 0.337 0.019 0.109) 0.354 7.369 ( -0.205 -2.326 1.079) 2.573 7.648 ( -1.103 3.307 -1.604) 3.838 7.728 ( -0.564 -1.532 -0.810) 1.823 8.367 ( -1.378 1.713 -2.460) 3.299 8.395 ( -2.387 0.215 -1.743) 2.964 8.623 ( 2.248 0.389 -0.142) 2.286 8.627 ( 1.943 0.312 0.725) 2.097 8.872 ( 1.341 7.713 -5.774) 9.728 8.985 ( 1.529 -0.079 -1.206) 1.949 9.260 ( -1.872 4.168 2.271) 5.102 9.555 ( -4.487 -10.437 4.745) 12.312 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.704 21.492 13.045) 26.605 1.233 ( 18.921 12.910 6.069) 23.696 1.586 ( 7.117 -8.165 3.298) 11.322 1.756 ( 7.226 18.017 12.631) 23.160 1.904 ( -9.093 -15.503 4.592) 18.550 1.922 ( 3.986 4.574 5.539) 8.215 2.067 ( -0.964 -0.235 -2.840) 3.008 2.326 ( -5.998 -10.545 -2.060) 12.305 2.644 ( -5.401 3.734 -6.178) 9.015 2.751 ( -10.810 -1.222 -4.784) 11.884 2.852 ( -9.359 3.549 -1.340) 10.099 3.042 ( -2.684 -3.448 -1.390) 4.585 3.112 ( 4.936 6.132 -1.630) 8.038 3.301 ( -0.902 -2.150 2.947) 3.758 3.364 ( 2.015 -1.539 0.147) 2.540 3.432 ( -0.460 5.625 -0.071) 5.644 3.527 ( 2.363 -2.982 -5.610) 6.778 3.586 ( -2.041 -0.625 3.363) 3.983 3.690 ( 2.859 3.314 0.714) 4.434 3.835 ( 1.430 -0.523 -2.928) 3.300 3.888 ( -3.989 -1.514 3.195) 5.330 3.996 ( 0.706 -3.645 -1.756) 4.107 4.053 ( -2.828 4.566 0.448) 5.389 4.094 ( -3.108 5.058 -1.684) 6.171 4.203 ( 0.418 3.469 -0.645) 3.553 4.295 ( -0.539 7.745 1.852) 7.981 4.374 ( 2.166 -2.569 2.253) 4.045 4.572 ( -0.622 -6.701 0.076) 6.730 4.597 ( 2.810 0.442 -2.185) 3.587 4.779 ( 3.556 1.045 -10.373) 11.015 4.916 ( -1.086 2.709 2.992) 4.180 4.981 ( -1.219 -0.427 -0.880) 1.563 5.076 ( -0.091 -2.038 -0.489) 2.098 5.149 ( 3.075 -0.392 -1.884) 3.627 5.290 ( -1.940 1.735 -5.549) 6.129 5.480 ( 4.232 2.639 -2.051) 5.392 5.642 ( 3.642 -0.357 -3.835) 5.301 5.673 ( -1.017 -6.289 -1.410) 6.525 5.807 ( -0.160 -9.168 -1.679) 9.322 5.928 ( 6.559 -8.902 -3.657) 11.647 6.260 ( 2.750 1.303 2.595) 3.999 6.330 ( 0.501 -1.682 -1.336) 2.206 6.443 ( 3.277 0.950 8.847) 9.482 6.549 ( 3.193 -2.119 4.349) 5.797 6.787 ( 2.428 -0.019 1.728) 2.980 6.866 ( 0.029 -5.145 5.065) 7.220 7.231 ( 1.572 4.237 -0.623) 4.562 7.307 ( 0.769 2.813 0.863) 3.042 7.333 ( 1.534 0.311 0.669) 1.702 7.376 ( 0.915 -1.623 1.515) 2.401 7.607 ( -2.571 3.272 -2.458) 4.833 7.689 ( -2.914 -1.855 -0.448) 3.483 8.323 ( -3.346 2.245 -4.328) 5.913 8.357 ( -0.375 0.141 -1.177) 1.244 8.655 ( 1.569 2.172 2.243) 3.494 8.689 ( 2.421 0.607 2.019) 3.210 8.888 ( 0.796 8.003 -6.018) 10.045 9.000 ( -0.078 0.181 -0.437) 0.479 9.189 ( -4.397 1.016 3.242) 5.556 9.396 ( -8.372 -7.525 3.473) 11.780 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -3.138 11.414 9.375) 15.100 1.512 ( -20.166 -14.579 7.175) 25.898 1.585 ( 11.580 6.765 6.386) 14.854 1.688 ( -2.970 -1.293 -1.324) 3.499 1.879 ( 0.467 -0.326 4.033) 4.073 1.999 ( -1.932 9.156 2.637) 9.722 2.045 ( 1.375 4.566 1.218) 4.921 2.164 ( -4.504 -4.969 2.876) 7.297 2.512 ( -6.475 3.732 -1.733) 7.672 2.638 ( -0.346 1.678 -5.219) 5.493 2.712 ( -2.861 5.763 0.868) 6.492 3.014 ( -0.465 -8.759 -4.585) 9.898 3.081 ( -5.417 2.823 -3.386) 6.984 3.295 ( -0.663 -5.273 0.217) 5.319 3.363 ( -3.419 5.356 1.700) 6.578 3.438 ( 3.786 2.820 5.779) 7.462 3.549 ( -1.030 3.176 5.802) 6.694 3.585 ( 3.599 -1.411 -5.201) 6.480 3.712 ( -0.304 0.537 2.242) 2.325 3.828 ( -0.047 -5.159 -1.680) 5.426 3.890 ( -0.973 2.914 -2.347) 3.866 3.946 ( -1.118 5.884 -2.175) 6.371 4.013 ( -1.289 0.736 -2.394) 2.817 4.098 ( 1.545 -1.695 -1.883) 2.967 4.211 ( 2.201 0.505 1.032) 2.483 4.300 ( -0.026 10.762 2.849) 11.133 4.462 ( 4.329 -4.851 4.619) 7.976 4.550 ( -0.382 -3.381 -1.638) 3.777 4.674 ( 3.398 6.198 -4.742) 8.511 4.795 ( -4.559 0.862 -0.488) 4.665 4.873 ( -0.476 1.892 -1.619) 2.535 4.935 ( -2.091 -0.665 -0.948) 2.390 5.040 ( -2.289 2.553 -2.564) 4.282 5.197 ( 0.668 -4.295 -3.856) 5.811 5.255 ( -0.320 -4.280 -2.029) 4.747 5.526 ( -1.941 -6.415 -6.150) 9.096 5.626 ( -0.432 -1.107 2.128) 2.437 5.719 ( 3.754 -3.434 -1.657) 5.351 5.848 ( 3.457 -2.385 -4.291) 6.004 6.100 ( 6.978 -10.280 -7.416) 14.469 6.288 ( 0.364 3.356 3.999) 5.233 6.390 ( 4.011 1.437 -3.232) 5.348 6.530 ( 3.912 -1.257 6.505) 7.694 6.618 ( 2.788 -2.941 3.291) 5.221 6.850 ( 2.934 -1.966 2.062) 4.089 6.875 ( 0.624 -4.290 5.144) 6.728 7.262 ( 1.286 3.302 -1.143) 3.724 7.321 ( 0.660 1.346 0.274) 1.524 7.368 ( 1.032 2.263 2.211) 3.328 7.403 ( 1.260 -0.603 0.755) 1.588 7.547 ( -2.630 3.276 -2.754) 5.023 7.623 ( -2.600 -1.407 0.953) 3.106 8.248 ( -2.924 4.648 -3.076) 6.294 8.365 ( 1.089 -1.660 -1.734) 2.636 8.662 ( -1.796 6.145 3.378) 7.238 8.720 ( 0.851 0.975 3.948) 4.154 8.923 ( 1.474 3.485 -4.051) 5.544 9.003 ( 1.528 -0.573 1.691) 2.350 9.104 ( -2.894 0.128 4.514) 5.364 9.255 ( -4.719 -5.865 -0.948) 7.587 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.552 -7.379 1.715) 7.596 1.106 ( -11.107 -12.881 4.858) 17.688 1.594 ( -4.164 5.271 -9.299) 11.472 1.676 ( -6.108 0.387 4.749) 7.747 1.727 ( -6.981 2.448 -3.975) 8.398 1.905 ( -7.105 -7.657 -8.111) 13.225 2.087 ( 3.487 7.865 3.888) 9.442 2.174 ( -2.090 6.284 13.305) 14.862 2.396 ( -0.494 10.970 6.926) 12.983 2.670 ( 3.193 2.356 0.176) 3.972 2.734 ( 2.031 1.446 1.526) 2.923 2.943 ( -3.309 -2.834 -5.486) 7.006 3.039 ( 0.296 -6.282 -1.392) 6.442 3.263 ( -2.773 3.188 -3.060) 5.217 3.335 ( 1.310 0.090 -0.763) 1.519 3.511 ( 2.597 5.156 7.094) 9.147 3.543 ( 1.234 0.410 1.035) 1.662 3.643 ( -3.344 -1.354 0.896) 3.717 3.707 ( 3.158 1.315 -2.877) 4.470 3.844 ( 1.713 -3.303 0.649) 3.777 3.868 ( -0.466 -2.395 1.060) 2.660 3.944 ( 2.371 8.986 -0.873) 9.334 4.025 ( 0.409 1.904 -0.276) 1.967 4.102 ( -0.088 -1.381 -1.131) 1.788 4.267 ( 1.190 0.358 -1.350) 1.834 4.309 ( 0.838 7.561 3.317) 8.298 4.483 ( -1.419 -4.999 1.010) 5.294 4.581 ( 0.576 0.885 0.267) 1.089 4.642 ( -4.826 3.709 -0.120) 6.087 4.741 ( 1.707 6.194 -4.661) 7.937 4.833 ( -1.962 1.709 -0.457) 2.642 4.935 ( -2.209 6.608 3.051) 7.606 4.999 ( 1.575 -4.554 -8.181) 9.495 5.210 ( 0.184 -6.211 -5.067) 8.018 5.266 ( 1.687 -9.848 0.324) 9.996 5.428 ( -5.198 -12.171 0.366) 13.239 5.637 ( 0.693 3.432 -5.194) 6.264 5.809 ( 3.686 -5.644 -2.244) 7.105 5.907 ( 1.788 1.292 -5.907) 6.305 6.171 ( 0.078 -7.932 -4.809) 9.276 6.312 ( 1.784 3.458 1.591) 4.204 6.460 ( 2.365 3.240 -2.987) 5.001 6.584 ( 0.620 -0.642 4.681) 4.766 6.664 ( 1.276 -5.098 3.298) 6.205 6.874 ( -0.251 -2.673 3.978) 4.800 6.915 ( 2.100 -3.238 3.362) 5.118 7.280 ( 0.326 2.603 -1.905) 3.242 7.333 ( 0.090 1.334 0.491) 1.424 7.368 ( -0.734 0.950 0.343) 1.248 7.404 ( -1.546 0.541 -0.227) 1.653 7.518 ( 0.627 3.974 -0.426) 4.046 7.602 ( 0.490 -0.343 2.003) 2.091 8.215 ( 0.110 5.770 -1.190) 5.893 8.402 ( 2.472 -3.346 -1.541) 4.436 8.605 ( -3.015 5.436 1.931) 6.509 8.711 ( -2.151 -0.178 6.144) 6.512 8.921 ( -0.594 2.694 -1.519) 3.149 9.035 ( -0.765 -1.151 1.648) 2.150 9.105 ( 2.162 0.868 2.146) 3.168 9.206 ( 1.307 -4.860 -0.559) 5.063 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 4.835 -12.494 -2.292) 13.591 1.031 ( -2.114 -15.930 4.356) 16.650 1.355 ( -15.385 5.229 0.292) 16.251 1.588 ( -4.571 1.776 -4.161) 6.431 1.672 ( 3.717 3.446 -8.424) 9.831 1.822 ( 1.485 -5.779 -8.180) 10.125 2.049 ( -5.970 9.003 7.423) 13.107 2.133 ( 2.523 3.578 0.369) 4.393 2.530 ( 8.772 9.638 11.994) 17.711 2.700 ( -1.732 3.216 0.828) 3.745 2.779 ( 2.803 -1.101 0.880) 3.137 2.946 ( 3.294 5.701 -3.370) 7.396 3.062 ( 2.322 -10.238 1.404) 10.592 3.163 ( -5.305 6.707 -5.965) 10.426 3.372 ( -0.115 -1.263 -2.174) 2.517 3.497 ( -4.567 -3.768 0.606) 5.952 3.546 ( 0.887 7.012 2.211) 7.406 3.654 ( 3.821 5.644 5.683) 8.874 3.778 ( 3.292 -1.966 -2.615) 4.641 3.834 ( -0.983 -1.651 1.844) 2.663 3.907 ( 2.180 -1.543 3.090) 4.084 4.012 ( 1.505 9.678 2.168) 10.032 4.035 ( 1.373 -3.242 0.688) 3.587 4.091 ( -0.743 -0.511 -1.864) 2.071 4.228 ( -4.069 -2.079 -2.731) 5.323 4.332 ( 1.069 6.588 4.554) 8.080 4.446 ( -1.501 -2.596 -0.804) 3.105 4.554 ( 0.735 2.785 -1.411) 3.207 4.611 ( -1.850 2.206 -2.274) 3.669 4.749 ( -0.110 -0.463 -3.618) 3.649 4.833 ( -0.971 3.911 0.375) 4.047 4.880 ( 0.844 5.984 -0.277) 6.049 5.053 ( 2.051 -5.700 -4.559) 7.582 5.183 ( -1.627 -3.012 -2.416) 4.190 5.306 ( -0.417 -13.769 -5.339) 14.774 5.370 ( 1.537 -7.162 2.751) 7.825 5.639 ( -0.358 1.319 -5.509) 5.676 5.845 ( -0.616 -6.691 -4.730) 8.217 5.912 ( -1.126 1.415 -4.555) 4.901 6.131 ( -3.199 -5.613 -3.467) 7.332 6.343 ( 0.774 2.162 1.066) 2.532 6.486 ( 0.177 2.668 -3.167) 4.145 6.564 ( -2.435 0.555 5.118) 5.695 6.663 ( -1.694 -6.046 4.281) 7.599 6.856 ( -1.577 -0.266 3.082) 3.472 6.943 ( 0.268 -3.888 4.326) 5.822 7.269 ( -1.357 2.826 -2.956) 4.309 7.316 ( -1.171 2.485 0.792) 2.859 7.345 ( -1.715 -0.277 -3.504) 3.911 7.377 ( -0.253 -0.820 2.944) 3.066 7.562 ( 3.011 4.121 0.089) 5.105 7.626 ( 1.348 0.706 2.119) 2.609 8.254 ( 3.484 6.954 -0.290) 7.784 8.471 ( 3.883 -3.567 -1.221) 5.412 8.542 ( -2.896 3.803 0.692) 4.830 8.641 ( -4.190 -0.975 5.174) 6.729 8.911 ( -0.442 1.733 -0.363) 1.825 8.986 ( -3.270 -1.408 -0.812) 3.651 9.148 ( 2.450 3.125 3.265) 5.141 9.302 ( 5.967 -4.309 2.111) 7.657 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -13.554 -1.112 11.406) 17.750 0.878 ( -7.536 5.910 -4.800) 10.713 1.365 ( 9.024 -12.758 1.971) 15.751 1.434 ( -1.472 -11.015 -4.317) 11.922 1.854 ( -0.422 2.730 -1.132) 2.986 1.864 ( 9.626 5.260 -5.334) 12.198 2.039 ( 7.157 10.032 0.610) 12.338 2.251 ( 6.571 -2.877 -3.097) 7.813 2.590 ( -3.539 11.218 0.947) 11.801 2.713 ( 3.108 1.056 5.569) 6.465 2.847 ( 3.782 4.549 1.436) 6.088 3.015 ( 2.928 6.360 -4.773) 8.474 3.103 ( 1.719 4.130 -6.323) 7.745 3.174 ( 6.994 -8.150 3.794) 11.390 3.291 ( -4.939 -1.339 0.528) 5.144 3.432 ( -2.291 -8.393 0.106) 8.700 3.586 ( 2.603 10.602 2.927) 11.302 3.647 ( -4.958 8.130 3.235) 10.057 3.826 ( 0.565 0.638 4.347) 4.430 3.855 ( 2.683 -2.135 -4.571) 5.714 3.910 ( -5.670 3.776 -0.237) 6.817 4.013 ( 4.798 2.317 -0.217) 5.332 4.041 ( -2.049 -4.654 1.666) 5.351 4.121 ( 0.980 -6.636 -1.017) 6.785 4.170 ( 0.681 -2.556 -0.957) 2.813 4.305 ( -2.747 4.334 4.011) 6.512 4.449 ( -0.166 1.221 2.328) 2.634 4.538 ( -3.605 0.457 -0.543) 3.675 4.599 ( 2.234 2.805 -4.621) 5.849 4.749 ( 0.098 -0.805 -2.578) 2.702 4.803 ( -0.038 -0.078 -1.866) 1.868 4.950 ( 3.947 3.299 -0.362) 5.157 5.078 ( 1.174 -7.416 -1.760) 7.712 5.165 ( -1.116 0.217 -4.390) 4.534 5.288 ( 0.495 -3.131 -5.795) 6.606 5.412 ( 0.376 -3.959 -0.400) 3.996 5.620 ( -1.506 -4.375 -5.241) 6.991 5.779 ( -4.582 -4.643 -6.350) 9.103 5.869 ( -2.320 -1.797 -0.668) 3.010 6.043 ( -4.667 -6.842 -3.970) 9.184 6.344 ( -0.729 2.102 2.295) 3.196 6.472 ( -1.279 1.568 -2.899) 3.535 6.491 ( -4.401 0.231 6.247) 7.645 6.596 ( -4.340 -4.595 6.502) 9.068 6.813 ( -2.350 1.463 1.973) 3.400 6.932 ( -1.273 -4.513 5.188) 6.993 7.229 ( -1.895 3.549 -2.946) 4.987 7.290 ( -1.212 2.146 -0.774) 2.583 7.318 ( -0.581 0.068 -0.074) 0.590 7.378 ( 0.041 -2.059 1.523) 2.561 7.626 ( 2.349 3.009 -0.234) 3.824 7.661 ( 2.208 1.110 1.266) 2.777 8.351 ( 4.989 8.268 -2.413) 9.953 8.486 ( -2.095 1.607 1.606) 3.090 8.551 ( -1.509 -0.187 -1.592) 2.202 8.557 ( 1.277 -1.902 3.426) 4.121 8.885 ( -2.189 0.762 -1.370) 2.693 8.933 ( -0.683 -0.951 -0.330) 1.216 9.210 ( 2.937 5.441 4.097) 7.417 9.434 ( 6.088 -5.311 3.681) 8.878 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -1.810 16.133 3.877) 16.690 0.902 ( 7.264 17.341 11.806) 22.200 1.323 ( 0.872 -14.047 -4.301) 14.716 1.645 ( 7.046 -11.549 1.311) 13.592 1.900 ( 4.470 3.450 1.231) 5.779 1.947 ( -1.951 8.201 3.806) 9.249 2.159 ( -2.600 6.829 2.272) 7.653 2.340 ( 5.588 -0.486 -3.353) 6.535 2.672 ( 11.217 4.862 -5.522) 13.415 2.725 ( -0.121 3.552 1.735) 3.955 2.924 ( 3.732 3.906 -0.811) 5.463 3.055 ( -0.439 0.329 -3.047) 3.096 3.167 ( -0.042 -2.761 -2.058) 3.444 3.240 ( 3.655 2.971 4.206) 6.315 3.348 ( 5.057 -4.174 2.009) 6.858 3.403 ( 2.278 -1.655 -2.320) 3.648 3.538 ( -3.954 0.373 -3.221) 5.114 3.654 ( -1.225 7.575 1.830) 7.889 3.676 ( -6.778 3.209 -1.176) 7.590 3.849 ( -3.786 -1.939 -1.438) 4.490 3.884 ( -0.240 0.828 1.620) 1.835 3.998 ( 2.242 -1.138 3.720) 4.490 4.079 ( -1.373 -4.939 -0.715) 5.176 4.171 ( 3.909 -5.093 -1.144) 6.522 4.184 ( -0.018 3.094 -1.244) 3.334 4.330 ( 3.847 0.351 3.695) 5.346 4.365 ( -3.862 7.644 3.108) 9.110 4.507 ( -0.803 -1.197 -2.501) 2.887 4.627 ( 0.527 -0.395 -2.151) 2.250 4.745 ( -1.218 -1.768 -4.106) 4.633 4.828 ( 2.386 0.898 -0.596) 2.618 5.019 ( 1.706 -0.990 0.214) 1.984 5.081 ( -4.913 -4.214 -4.234) 7.735 5.120 ( 1.126 -2.556 -2.459) 3.721 5.319 ( 0.339 3.056 -6.170) 6.893 5.387 ( 0.119 4.833 0.041) 4.835 5.545 ( -4.664 -4.443 -8.654) 10.788 5.704 ( -1.459 -5.591 -3.935) 6.991 5.841 ( -0.573 -3.788 0.070) 3.832 5.949 ( -3.440 -9.686 -1.624) 10.407 6.304 ( -3.473 1.730 2.147) 4.434 6.401 ( -3.211 0.306 9.390) 9.929 6.427 ( -2.874 -0.071 -3.165) 4.276 6.515 ( -2.615 -2.435 8.267) 9.007 6.768 ( -1.575 2.049 1.268) 2.879 6.900 ( -1.654 -5.104 5.333) 7.565 7.199 ( -0.673 4.237 -1.957) 4.716 7.274 ( -0.177 1.720 -0.139) 1.735 7.313 ( -0.019 0.273 0.443) 0.521 7.376 ( -0.290 -2.439 1.089) 2.687 7.654 ( 0.517 3.017 -0.663) 3.132 7.713 ( 1.941 -0.329 -0.219) 1.981 8.397 ( -0.848 3.932 -4.300) 5.888 8.447 ( -2.457 0.074 0.473) 2.503 8.548 ( 3.737 3.095 2.493) 5.455 8.604 ( 1.233 -0.442 -1.423) 1.934 8.853 ( -0.119 3.281 -3.321) 4.670 8.947 ( 1.630 -0.774 -0.516) 1.876 9.262 ( 1.435 6.107 3.562) 7.214 9.550 ( 3.912 -8.060 4.760) 10.145 ======================= Grid point 70 (38/88) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 12.017 -15.807 2.627) 20.029 1.149 ( 12.017 15.807 2.627) 20.029 1.520 ( 7.460 -20.712 3.159) 22.240 1.520 ( 7.460 20.712 3.159) 22.240 1.957 ( -1.790 -0.495 3.512) 3.973 1.957 ( -1.790 0.495 3.512) 3.973 2.233 ( -5.459 -11.004 3.269) 12.711 2.233 ( -5.459 11.004 3.269) 12.711 2.877 ( -2.342 -7.708 -4.233) 9.100 2.877 ( -2.342 7.708 -4.233) 9.100 2.975 ( 2.382 -8.375 1.441) 8.825 2.975 ( 2.382 8.375 1.441) 8.825 3.195 ( -0.086 -4.657 -2.058) 5.092 3.195 ( -0.086 4.657 -2.058) 5.092 3.383 ( -4.675 -3.940 -2.812) 6.730 3.383 ( -4.675 3.940 -2.812) 6.730 3.512 ( 4.020 -4.352 -0.409) 5.939 3.512 ( 4.020 4.352 -0.409) 5.939 3.781 ( -1.040 -6.037 -2.037) 6.455 3.781 ( -1.040 6.037 -2.037) 6.455 3.961 ( 1.012 -6.428 3.291) 7.292 3.961 ( 1.012 6.428 3.291) 7.292 4.110 ( 1.445 -2.233 5.761) 6.345 4.110 ( 1.445 2.233 5.761) 6.345 4.309 ( -1.606 -5.637 -4.043) 7.120 4.309 ( -1.606 5.637 -4.043) 7.120 4.494 ( 0.345 -3.662 -0.844) 3.774 4.494 ( 0.345 3.662 -0.844) 3.774 4.604 ( -0.481 -7.918 -3.702) 8.754 4.604 ( -0.481 7.918 -3.702) 8.754 4.974 ( 2.098 -3.541 -0.215) 4.122 4.974 ( 2.098 3.541 -0.215) 4.122 5.038 ( 0.493 -3.954 0.650) 4.037 5.038 ( 0.493 3.954 0.650) 4.037 5.419 ( 0.723 -6.714 -7.666) 10.216 5.419 ( 0.723 6.714 -7.666) 10.216 5.598 ( 2.114 -4.996 -3.748) 6.594 5.598 ( 2.114 4.996 -3.748) 6.594 5.748 ( -2.265 -3.283 -0.713) 4.052 5.748 ( -2.265 3.283 -0.713) 4.052 6.286 ( -2.012 -3.473 1.791) 4.395 6.286 ( -2.012 3.473 1.791) 4.395 6.452 ( 0.661 -3.190 8.918) 9.494 6.452 ( 0.661 3.190 8.918) 9.494 6.798 ( -0.450 -2.959 2.094) 3.653 6.798 ( -0.450 2.959 2.094) 3.653 7.273 ( 1.045 -2.864 -0.270) 3.061 7.273 ( 1.045 2.864 -0.270) 3.061 7.335 ( 0.251 -1.592 1.148) 1.979 7.335 ( 0.251 1.592 1.148) 1.979 7.698 ( -0.958 -1.956 -1.382) 2.579 7.698 ( -0.958 1.956 -1.382) 2.579 8.390 ( -1.994 -0.744 -1.544) 2.629 8.390 ( -1.994 0.744 -1.544) 2.629 8.629 ( 1.977 -0.141 0.265) 2.000 8.629 ( 1.977 0.141 0.265) 2.000 8.963 ( 2.167 -2.559 -2.079) 3.946 8.963 ( 2.167 2.559 -2.079) 3.946 9.378 ( -3.710 -8.075 2.268) 9.172 9.378 ( -3.710 8.075 2.268) 9.172 ======================= Grid point 72 (39/88) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 5.449 -9.490 10.591) 15.229 1.389 ( 5.449 9.490 10.591) 15.229 1.553 ( -1.909 -18.402 4.197) 18.971 1.553 ( -1.909 18.402 4.197) 18.971 1.987 ( 4.685 -1.290 7.928) 9.298 1.987 ( 4.685 1.290 7.928) 9.298 2.124 ( -4.318 -9.697 -3.795) 11.273 2.124 ( -4.318 9.697 -3.795) 11.273 2.710 ( -9.237 -2.999 -7.953) 12.552 2.710 ( -9.237 2.999 -7.953) 12.552 2.943 ( -3.458 -5.442 0.584) 6.474 2.943 ( -3.458 5.442 0.584) 6.474 3.246 ( -2.852 -4.375 0.391) 5.237 3.246 ( -2.852 4.375 0.391) 5.237 3.401 ( 8.964 -7.097 -2.014) 11.610 3.401 ( 8.964 7.097 -2.014) 11.610 3.527 ( -2.232 -4.002 1.103) 4.713 3.527 ( -2.232 4.002 1.103) 4.713 3.767 ( -0.873 -4.762 -1.993) 5.235 3.767 ( -0.873 4.762 -1.993) 5.235 3.931 ( -2.283 -3.112 1.823) 4.269 3.931 ( -2.283 3.112 1.823) 4.269 4.144 ( -0.537 -3.771 1.794) 4.210 4.144 ( -0.537 3.771 1.794) 4.210 4.251 ( -0.434 -6.199 0.876) 6.276 4.251 ( -0.434 6.199 0.876) 6.276 4.477 ( -0.841 -4.185 -1.241) 4.445 4.477 ( -0.841 4.185 -1.241) 4.445 4.685 ( 5.904 -9.311 -4.368) 11.859 4.685 ( 5.904 9.311 -4.368) 11.859 4.961 ( -2.296 -1.568 1.348) 3.090 4.961 ( -2.296 1.568 1.348) 3.090 5.092 ( 1.760 -3.649 -0.980) 4.168 5.092 ( 1.760 3.649 -0.980) 4.168 5.410 ( -1.493 -8.696 -7.513) 11.588 5.410 ( -1.493 8.696 -7.513) 11.588 5.626 ( -0.019 -3.724 -0.808) 3.811 5.626 ( -0.019 3.724 -0.808) 3.811 5.776 ( 5.878 -6.158 -2.993) 9.024 5.776 ( 5.878 6.158 -2.993) 9.024 6.290 ( 2.189 -2.043 1.134) 3.202 6.290 ( 2.189 2.043 1.134) 3.202 6.492 ( 2.588 -3.394 7.709) 8.812 6.492 ( 2.588 3.394 7.709) 8.812 6.805 ( 0.988 -1.824 2.127) 2.971 6.805 ( 0.988 1.824 2.127) 2.971 7.296 ( 0.849 -2.754 -0.314) 2.899 7.296 ( 0.849 2.754 -0.314) 2.899 7.356 ( 1.778 -1.306 1.903) 2.913 7.356 ( 1.778 1.306 1.903) 2.913 7.655 ( -2.764 -1.970 -1.728) 3.809 7.655 ( -2.764 1.970 -1.728) 3.809 8.351 ( -1.660 -0.845 -2.441) 3.070 8.351 ( -1.660 0.845 -2.441) 3.070 8.684 ( 2.933 -0.972 1.942) 3.649 8.684 ( 2.933 0.972 1.942) 3.649 8.985 ( -0.031 -2.353 -1.416) 2.746 8.985 ( -0.031 2.353 -1.416) 2.746 9.260 ( -6.400 -6.248 1.186) 9.023 9.260 ( -6.400 6.248 1.186) 9.023 ======================= Grid point 74 (40/88) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -14.984 -16.191 9.746) 24.117 1.209 ( -14.984 16.191 9.746) 24.117 1.653 ( 4.597 -2.245 4.767) 6.993 1.653 ( 4.597 2.245 4.767) 6.993 1.965 ( -7.836 -7.693 -4.991) 12.062 1.965 ( -7.836 7.693 -4.991) 12.062 2.134 ( 4.734 -3.270 8.561) 10.315 2.134 ( 4.734 3.270 8.561) 10.315 2.599 ( -0.695 -4.836 -6.434) 8.079 2.599 ( -0.695 4.836 -6.434) 8.079 2.852 ( -4.590 -8.092 -0.892) 9.346 2.852 ( -4.590 8.092 -0.892) 9.346 3.167 ( -3.388 -6.352 -0.817) 7.245 3.167 ( -3.388 6.352 -0.817) 7.245 3.450 ( -1.212 -2.336 1.144) 2.870 3.450 ( -1.212 2.336 1.144) 2.870 3.587 ( 3.637 -1.576 3.045) 4.998 3.587 ( 3.637 1.576 3.045) 4.998 3.740 ( 0.174 -3.070 -1.659) 3.493 3.740 ( 0.174 3.070 -1.659) 3.493 3.928 ( 0.720 -2.829 -2.447) 3.809 3.928 ( 0.720 2.829 -2.447) 3.809 4.080 ( -2.212 -5.420 -2.325) 6.299 4.080 ( -2.212 5.420 -2.325) 6.299 4.314 ( 3.447 -9.947 6.068) 12.151 4.314 ( 3.447 9.947 6.068) 12.151 4.467 ( -0.031 -5.687 -0.716) 5.732 4.467 ( -0.031 5.687 -0.716) 5.732 4.794 ( 3.163 -4.681 -3.632) 6.716 4.794 ( 3.163 4.681 -3.632) 6.716 4.892 ( -2.925 -1.227 1.295) 3.426 4.892 ( -2.925 1.227 1.295) 3.426 5.095 ( -0.930 -4.611 -1.940) 5.088 5.095 ( -0.930 4.611 -1.940) 5.088 5.327 ( -5.466 -10.530 -4.804) 12.800 5.327 ( -5.466 10.530 -4.804) 12.800 5.657 ( 2.735 -2.380 -2.367) 4.330 5.657 ( 2.735 2.380 -2.367) 4.330 5.920 ( 6.214 -8.065 -4.999) 11.343 5.920 ( 6.214 8.065 -4.999) 11.343 6.357 ( 3.400 -3.786 1.033) 5.192 6.357 ( 3.400 3.786 1.033) 5.192 6.554 ( 2.709 -3.329 5.666) 7.109 6.554 ( 2.709 3.329 5.666) 7.109 6.836 ( 1.664 -0.554 2.665) 3.191 6.836 ( 1.664 0.554 2.665) 3.191 7.310 ( 0.610 -1.871 -0.547) 2.043 7.310 ( 0.610 1.871 -0.547) 2.043 7.398 ( 1.440 -0.647 2.020) 2.564 7.398 ( 1.440 0.647 2.020) 2.564 7.594 ( -2.319 -1.807 -1.363) 3.240 7.594 ( -2.319 1.807 -1.363) 3.240 8.320 ( -0.939 -3.088 -2.448) 4.051 8.320 ( -0.939 3.088 -2.448) 4.051 8.726 ( 0.026 -0.917 4.285) 4.382 8.726 ( 0.026 0.917 4.285) 4.382 8.981 ( 0.431 -1.990 -0.555) 2.110 8.981 ( 0.431 1.990 -0.555) 2.110 9.148 ( -3.507 -4.659 -0.151) 5.833 9.148 ( -3.507 4.659 -0.151) 5.833 ======================= Grid point 76 (41/88) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -10.240 -5.437 5.699) 12.919 0.918 ( -10.240 5.437 5.699) 12.919 1.681 ( -0.321 -1.747 -5.303) 5.592 1.681 ( -0.321 1.747 -5.303) 5.592 1.767 ( -10.131 -5.139 -4.648) 12.274 1.767 ( -10.131 5.139 -4.648) 12.274 2.206 ( 0.008 -3.171 11.766) 12.186 2.206 ( 0.008 3.171 11.766) 12.186 2.617 ( 2.675 -9.563 0.670) 9.953 2.617 ( 2.675 9.563 0.670) 9.953 2.782 ( -1.382 -5.327 0.047) 5.504 2.782 ( -1.382 5.327 0.047) 5.504 3.134 ( 0.213 -9.378 -3.309) 9.947 3.134 ( 0.213 9.378 -3.309) 9.947 3.451 ( 0.535 -6.222 -1.057) 6.334 3.451 ( 0.535 6.222 -1.057) 6.334 3.615 ( 0.141 -2.573 3.148) 4.068 3.615 ( 0.141 2.573 3.148) 4.068 3.767 ( 1.933 -4.384 0.116) 4.793 3.767 ( 1.933 4.384 0.116) 4.793 3.900 ( -2.101 -5.737 -1.310) 6.248 3.900 ( -2.101 5.737 -1.310) 6.248 4.120 ( 4.310 -6.879 -2.743) 8.568 4.120 ( 4.310 6.879 -2.743) 8.568 4.343 ( -1.098 -8.909 2.170) 9.235 4.343 ( -1.098 8.909 2.170) 9.235 4.486 ( 1.613 -8.916 3.661) 9.772 4.486 ( 1.613 8.916 3.661) 9.772 4.744 ( -4.958 -5.668 -0.155) 7.532 4.744 ( -4.958 5.668 -0.155) 7.532 4.918 ( 2.470 -3.181 -3.090) 5.076 4.918 ( 2.470 3.181 -3.090) 5.076 5.063 ( -1.722 -7.451 -2.938) 8.192 5.063 ( -1.722 7.451 -2.938) 8.192 5.229 ( -2.383 -7.646 -1.634) 8.174 5.229 ( -2.383 7.646 -1.634) 8.174 5.708 ( 1.591 -4.290 -4.628) 6.508 5.708 ( 1.591 4.290 -4.628) 6.508 6.009 ( 2.101 -8.049 -6.233) 10.395 6.009 ( 2.101 8.049 -6.233) 10.395 6.415 ( 1.717 -6.190 1.554) 6.610 6.415 ( 1.717 6.190 1.554) 6.610 6.599 ( 1.077 -2.707 4.313) 5.205 6.599 ( 1.077 2.707 4.313) 5.205 6.869 ( 1.120 -1.483 3.235) 3.731 6.869 ( 1.120 1.483 3.235) 3.731 7.320 ( 0.243 -1.716 -0.968) 1.985 7.320 ( 0.243 1.716 -0.968) 1.985 7.397 ( -1.519 -1.276 0.621) 2.078 7.397 ( -1.519 1.276 0.621) 2.078 7.580 ( 1.026 -2.217 0.406) 2.476 7.580 ( 1.026 2.217 0.406) 2.476 8.320 ( 1.268 -5.137 -1.380) 5.468 8.320 ( 1.268 5.137 -1.380) 5.468 8.685 ( -3.354 -2.786 4.205) 6.057 8.685 ( -3.354 2.786 4.205) 6.057 8.989 ( -0.811 -3.710 -0.995) 3.926 8.989 ( -0.811 3.710 -0.995) 3.926 9.133 ( 2.371 -2.466 1.087) 3.589 9.133 ( 2.371 2.466 1.087) 3.589 ======================= Grid point 78 (42/88) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 2.146 -2.608 3.303) 4.724 0.837 ( 2.146 2.608 3.303) 4.724 1.496 ( -13.516 -8.549 -3.156) 16.301 1.496 ( -13.516 8.549 -3.156) 16.301 1.747 ( 6.424 -4.359 -9.536) 12.297 1.747 ( 6.424 4.359 -9.536) 12.297 2.155 ( -2.878 -1.858 6.286) 7.159 2.155 ( -2.878 1.858 6.286) 7.159 2.699 ( 2.847 -6.416 2.593) 7.483 2.699 ( 2.847 6.416 2.593) 7.483 2.818 ( 5.328 -9.067 4.394) 11.398 2.818 ( 5.328 9.067 4.394) 11.398 3.140 ( 0.210 -8.755 -3.642) 9.484 3.140 ( 0.210 8.755 -3.642) 9.484 3.396 ( -5.661 -5.390 -4.299) 8.921 3.396 ( -5.661 5.390 -4.299) 8.921 3.669 ( 4.986 -3.887 4.049) 7.508 3.669 ( 4.986 3.887 4.049) 7.508 3.810 ( 1.299 -5.296 1.647) 5.696 3.810 ( 1.299 5.296 1.647) 5.696 3.893 ( 2.187 -6.245 -0.288) 6.623 3.893 ( 2.187 6.245 -0.288) 6.623 4.165 ( -2.287 -4.992 -1.760) 5.766 4.165 ( -2.287 4.992 -1.760) 5.766 4.289 ( -3.037 -11.961 1.847) 12.478 4.289 ( -3.037 11.961 1.847) 12.478 4.505 ( -0.069 -8.181 4.368) 9.274 4.505 ( -0.069 8.181 4.368) 9.274 4.677 ( -0.294 -5.434 -2.449) 5.967 4.677 ( -0.294 5.434 -2.449) 5.967 4.906 ( -2.920 -5.591 -3.454) 7.191 4.906 ( -2.920 5.591 -3.454) 7.191 5.062 ( 1.743 -10.887 -3.985) 11.724 5.062 ( 1.743 10.887 -3.985) 11.724 5.240 ( 2.974 -6.320 -0.620) 7.012 5.240 ( 2.974 6.320 -0.620) 7.012 5.709 ( -1.435 -6.133 -4.648) 7.828 5.709 ( -1.435 6.133 -4.648) 7.828 6.004 ( -2.242 -6.765 -6.702) 9.783 6.004 ( -2.242 6.765 -6.702) 9.783 6.430 ( -0.187 -5.838 2.196) 6.240 6.430 ( -0.187 5.838 2.196) 6.240 6.596 ( -1.598 -2.313 4.383) 5.207 6.596 ( -1.598 2.313 4.383) 5.207 6.880 ( -0.303 -2.527 3.549) 4.368 6.880 ( -0.303 2.527 3.549) 4.368 7.315 ( -0.848 -2.140 -2.550) 3.436 7.315 ( -0.848 2.140 -2.550) 3.436 7.358 ( -1.540 -1.528 1.231) 2.494 7.358 ( -1.540 1.528 1.231) 2.494 7.618 ( 2.140 -1.642 1.016) 2.883 7.618 ( 2.140 1.642 1.016) 2.883 8.379 ( 4.114 -5.940 -0.339) 7.234 8.379 ( 4.114 5.940 -0.339) 7.234 8.607 ( -3.816 -2.717 2.328) 5.231 8.607 ( -3.816 2.717 2.328) 5.231 8.950 ( -2.270 -2.185 -0.844) 3.262 8.950 ( -2.270 2.185 -0.844) 3.262 9.219 ( 4.851 -4.206 2.554) 6.909 9.219 ( 4.851 4.206 2.554) 6.909 ======================= Grid point 80 (43/88) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 3.424 -3.808 1.950) 5.480 0.927 ( 3.424 3.808 1.950) 5.480 1.254 ( -5.818 -4.523 -0.513) 7.387 1.254 ( -5.818 4.523 -0.513) 7.387 1.904 ( 5.925 -1.495 -4.121) 7.371 1.904 ( 5.925 1.495 -4.121) 7.371 2.179 ( 6.245 -4.989 -0.846) 8.038 2.179 ( 6.245 4.989 -0.846) 8.038 2.722 ( -0.207 -1.925 1.151) 2.253 2.722 ( -0.207 1.925 1.151) 2.253 2.953 ( 4.731 -8.356 3.584) 10.249 2.953 ( 4.731 8.356 3.584) 10.249 3.172 ( 4.112 -3.878 -2.988) 6.393 3.172 ( 4.112 3.878 -2.988) 6.393 3.275 ( -4.040 -4.679 -2.297) 6.595 3.275 ( -4.040 4.679 -2.297) 6.595 3.748 ( 1.062 -5.815 1.953) 6.225 3.748 ( 1.062 5.815 1.953) 6.225 3.831 ( 0.025 -8.981 4.622) 10.101 3.831 ( 0.025 8.981 4.622) 10.101 3.979 ( 1.280 -7.149 -1.674) 7.453 3.979 ( 1.280 7.149 -1.674) 7.453 4.003 ( -5.966 -3.248 -1.631) 6.985 4.003 ( -5.966 3.248 -1.631) 6.985 4.249 ( -0.904 -7.653 4.232) 8.792 4.249 ( -0.904 7.653 4.232) 8.792 4.510 ( 0.061 -3.439 1.348) 3.695 4.510 ( 0.061 3.439 1.348) 3.695 4.692 ( 0.416 -6.694 -5.324) 8.564 4.692 ( 0.416 6.694 -5.324) 8.564 4.857 ( -0.522 -8.238 -1.163) 8.336 4.857 ( -0.522 8.238 -1.163) 8.336 5.102 ( 1.629 -6.200 -4.213) 7.671 5.102 ( 1.629 6.200 -4.213) 7.671 5.320 ( 3.743 -4.939 -2.751) 6.780 5.320 ( 3.743 4.939 -2.751) 6.780 5.648 ( -3.593 -6.870 -2.717) 8.215 5.648 ( -3.593 6.870 -2.717) 8.215 5.920 ( -4.874 -5.651 -6.260) 9.741 5.920 ( -4.874 5.651 -6.260) 9.741 6.413 ( -1.592 -4.393 2.692) 5.393 6.413 ( -1.592 4.393 2.692) 5.393 6.537 ( -3.785 -2.381 5.813) 7.334 6.537 ( -3.785 2.381 5.813) 7.334 6.858 ( -1.695 -3.217 3.317) 4.922 6.858 ( -1.695 3.217 3.317) 4.922 7.285 ( -1.467 -2.221 -2.669) 3.770 7.285 ( -1.467 2.221 -2.669) 3.770 7.341 ( -0.373 -1.891 1.623) 2.520 7.341 ( -0.373 1.891 1.623) 2.520 7.663 ( 1.952 -0.889 0.403) 2.182 7.663 ( 1.952 0.889 0.403) 2.182 8.470 ( 2.468 -4.161 -0.159) 4.840 8.470 ( 2.468 4.161 -0.159) 4.840 8.541 ( -0.938 -0.931 0.583) 1.444 8.541 ( -0.938 0.931 0.583) 1.444 8.907 ( -1.287 -1.477 -0.748) 2.097 8.907 ( -1.287 1.477 -0.748) 2.097 9.323 ( 4.517 -6.146 3.262) 8.296 9.323 ( 4.517 6.146 3.262) 8.296 ======================= Grid point 82 (44/88) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.854 -16.180 -1.370) 16.689 0.966 ( 3.854 16.180 -1.370) 16.689 1.320 ( 8.989 -18.531 4.486) 21.079 1.320 ( 8.989 18.531 4.486) 21.079 1.969 ( 1.087 -3.633 -0.243) 3.800 1.969 ( 1.087 3.633 -0.243) 3.800 2.309 ( 1.106 -4.733 1.056) 4.974 2.309 ( 1.106 4.733 1.056) 4.974 2.757 ( 5.990 -1.886 -1.641) 6.491 2.757 ( 5.990 1.886 -1.641) 6.491 2.982 ( -1.073 -3.964 -0.458) 4.132 2.982 ( -1.073 3.964 -0.458) 4.132 3.231 ( -0.260 -6.283 2.001) 6.599 3.231 ( -0.260 6.283 2.001) 6.599 3.331 ( 8.353 -4.368 -3.917) 10.208 3.331 ( 8.353 4.368 -3.917) 10.208 3.614 ( -12.349 -5.534 -1.711) 13.640 3.614 ( -12.349 5.534 -1.711) 13.640 3.801 ( -0.640 -2.312 0.485) 2.447 3.801 ( -0.640 2.312 0.485) 2.447 3.918 ( 1.488 -4.526 4.519) 6.567 3.918 ( 1.488 4.526 4.519) 6.567 4.076 ( 2.224 -3.538 0.954) 4.286 4.076 ( 2.224 3.538 0.954) 4.286 4.278 ( 3.266 -5.340 0.431) 6.274 4.278 ( 3.266 5.340 0.431) 6.274 4.494 ( -1.056 -1.902 -0.790) 2.315 4.494 ( -1.056 1.902 -0.790) 2.315 4.665 ( -2.717 -6.456 -4.584) 8.371 4.665 ( -2.717 6.456 -4.584) 8.371 4.895 ( 3.536 -6.920 0.907) 7.824 4.895 ( 3.536 6.920 0.907) 7.824 5.093 ( -2.857 -1.951 -3.539) 4.949 5.093 ( -2.857 1.951 -3.539) 4.949 5.382 ( 2.458 -5.428 -6.061) 8.500 5.382 ( 2.458 5.428 -6.061) 8.500 5.590 ( -1.240 -8.231 -1.486) 8.456 5.590 ( -1.240 8.231 -1.486) 8.456 5.818 ( -4.117 -3.297 -4.014) 6.628 5.818 ( -4.117 3.297 -4.014) 6.628 6.357 ( -3.739 -3.212 2.149) 5.378 6.357 ( -3.739 3.212 2.149) 5.378 6.465 ( -2.369 -2.642 8.217) 8.950 6.465 ( -2.369 2.642 8.217) 8.950 6.821 ( -1.647 -3.416 2.672) 4.639 6.821 ( -1.647 3.416 2.672) 4.639 7.264 ( -0.284 -2.453 -1.317) 2.799 7.264 ( -0.284 2.453 -1.317) 2.799 7.335 ( -0.206 -1.838 1.185) 2.197 7.335 ( -0.206 1.838 1.185) 2.197 7.696 ( 0.979 -1.463 -0.578) 1.853 7.696 ( 0.979 1.463 -0.578) 1.853 8.440 ( -2.598 -1.055 -0.585) 2.864 8.440 ( -2.598 1.055 -0.585) 2.864 8.588 ( 2.435 -1.353 -0.374) 2.811 8.588 ( 2.435 1.353 -0.374) 2.811 8.912 ( 1.873 -2.689 -1.377) 3.554 8.912 ( 1.873 2.689 -1.377) 3.554 9.397 ( 1.727 -7.825 3.123) 8.600 9.397 ( 1.727 7.825 3.123) 8.600 ======================= Grid point 98 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -6.134 0.000 11.368) 12.917 1.012 ( -12.838 0.000 23.598) 26.864 1.549 ( 2.909 0.000 -2.682) 3.956 1.560 ( 13.752 0.000 13.505) 19.274 1.976 ( 7.726 0.000 -12.844) 14.989 2.010 ( 3.147 0.000 1.787) 3.619 2.012 ( 0.509 0.000 10.899) 10.910 2.564 ( -2.804 0.000 -9.180) 9.599 2.573 ( 1.130 0.000 0.087) 1.133 2.695 ( 5.206 0.000 -1.063) 5.314 2.964 ( -7.202 0.000 -2.015) 7.479 3.006 ( 13.706 0.000 0.253) 13.709 3.165 ( -0.806 0.000 -2.699) 2.817 3.340 ( 1.644 0.000 1.382) 2.147 3.402 ( 5.256 0.000 9.950) 11.253 3.454 ( -8.566 0.000 6.371) 10.675 3.469 ( -9.876 0.000 3.319) 10.419 3.615 ( 3.049 0.000 -0.679) 3.124 3.616 ( -3.097 0.000 -4.878) 5.778 3.655 ( -0.422 0.000 -0.442) 0.611 3.820 ( 1.824 0.000 2.317) 2.949 3.985 ( 0.694 0.000 -13.243) 13.261 3.990 ( 2.316 0.000 -1.538) 2.780 4.108 ( -4.513 0.000 -4.349) 6.268 4.234 ( -3.490 0.000 -0.692) 3.558 4.277 ( -2.647 0.000 3.992) 4.789 4.287 ( -1.251 0.000 -4.887) 5.044 4.446 ( 3.076 0.000 -4.541) 5.485 4.451 ( -8.445 0.000 -7.663) 11.403 4.770 ( 4.775 0.000 3.650) 6.010 4.916 ( -0.296 0.000 0.174) 0.344 4.920 ( 3.557 0.000 -5.372) 6.443 5.093 ( -4.271 0.000 -4.040) 5.879 5.204 ( -0.652 0.000 4.278) 4.327 5.233 ( 3.280 0.000 -3.555) 4.837 5.377 ( 3.279 0.000 3.918) 5.109 5.456 ( -0.038 0.000 8.135) 8.135 5.796 ( -4.013 0.000 -13.416) 14.003 5.890 ( 0.076 0.000 -0.441) 0.448 6.079 ( 2.812 0.000 -1.222) 3.066 6.343 ( -0.990 0.000 7.922) 7.984 6.467 ( -0.718 0.000 5.213) 5.262 6.529 ( -1.199 0.000 3.783) 3.969 6.606 ( 2.767 0.000 4.572) 5.344 6.811 ( 2.075 0.000 0.972) 2.292 6.918 ( -0.890 0.000 -4.714) 4.798 7.220 ( 0.892 0.000 -0.174) 0.908 7.223 ( -0.120 0.000 0.679) 0.689 7.301 ( -0.193 0.000 -2.413) 2.420 7.348 ( 1.179 0.000 -5.126) 5.260 7.594 ( -3.842 0.000 7.907) 8.791 7.872 ( 4.643 0.000 -5.016) 6.835 7.978 ( -0.362 0.000 -1.311) 1.360 8.414 ( -3.177 0.000 1.590) 3.553 8.483 ( -0.097 0.000 1.059) 1.063 8.608 ( 0.852 0.000 -0.189) 0.873 8.683 ( -0.492 0.000 2.196) 2.250 8.944 ( 1.359 0.000 -1.433) 1.976 9.295 ( -0.060 0.000 4.496) 4.497 9.899 ( -1.969 0.000 -2.130) 2.901 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 11.586 0.000 11.189) 16.107 0.853 ( 0.523 0.000 17.594) 17.602 1.615 ( 2.202 0.000 -2.478) 3.315 1.802 ( 1.501 0.000 -4.245) 4.503 1.951 ( 1.306 0.000 -2.553) 2.867 2.139 ( 8.408 0.000 0.930) 8.459 2.178 ( 6.277 0.000 9.705) 11.558 2.473 ( -13.284 0.000 -1.982) 13.431 2.474 ( -6.174 0.000 -4.010) 7.362 2.551 ( -14.434 0.000 -7.965) 16.486 2.862 ( 3.125 0.000 -3.717) 4.856 3.113 ( -9.592 0.000 4.514) 10.601 3.153 ( -3.104 0.000 -0.142) 3.107 3.274 ( -2.629 0.000 3.767) 4.593 3.390 ( -0.132 0.000 -0.276) 0.306 3.395 ( 2.764 0.000 1.345) 3.074 3.512 ( 5.748 0.000 2.138) 6.133 3.561 ( 2.516 0.000 10.376) 10.676 3.651 ( 0.828 0.000 0.120) 0.836 3.724 ( 4.708 0.000 -0.545) 4.739 3.855 ( -1.980 0.000 -2.085) 2.876 3.921 ( -3.747 0.000 -7.622) 8.493 3.993 ( 0.454 0.000 -8.785) 8.797 4.021 ( -0.785 0.000 -1.824) 1.985 4.101 ( -7.700 0.000 2.851) 8.211 4.232 ( -0.816 0.000 3.383) 3.480 4.319 ( 3.224 0.000 -1.066) 3.395 4.402 ( 3.076 0.000 -4.308) 5.293 4.509 ( 2.466 0.000 -5.691) 6.202 4.867 ( 2.066 0.000 2.187) 3.009 4.938 ( 2.019 0.000 1.705) 2.642 4.979 ( 0.374 0.000 -8.890) 8.897 5.021 ( -2.489 0.000 -2.155) 3.292 5.107 ( -7.920 0.000 3.429) 8.630 5.373 ( 8.751 0.000 -5.391) 10.279 5.435 ( 1.464 0.000 0.420) 1.523 5.481 ( 2.623 0.000 5.990) 6.539 5.746 ( -0.718 0.000 -10.440) 10.465 5.895 ( 1.872 0.000 -4.218) 4.615 6.164 ( 3.754 0.000 -1.290) 3.970 6.330 ( -0.497 0.000 8.049) 8.064 6.483 ( 2.114 0.000 7.704) 7.989 6.497 ( -1.920 0.000 0.145) 1.926 6.688 ( 4.267 0.000 6.429) 7.716 6.894 ( 5.173 0.000 -0.725) 5.223 6.920 ( 1.349 0.000 -5.654) 5.813 7.220 ( -0.096 0.000 -0.217) 0.237 7.250 ( 1.741 0.000 -0.596) 1.841 7.287 ( -0.905 0.000 -2.703) 2.851 7.365 ( 0.501 0.000 -4.397) 4.425 7.499 ( -5.094 0.000 7.827) 9.339 7.888 ( -2.739 0.000 -3.248) 4.249 7.987 ( 1.228 0.000 -0.909) 1.528 8.370 ( -0.402 0.000 2.158) 2.195 8.477 ( -0.451 0.000 1.027) 1.122 8.665 ( 4.141 0.000 0.490) 4.170 8.742 ( 5.021 0.000 1.565) 5.260 8.972 ( 1.471 0.000 -1.949) 2.442 9.270 ( -2.304 0.000 3.819) 4.460 9.739 ( -11.231 0.000 3.289) 11.703 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 14.043 0.000 2.410) 14.248 1.106 ( 17.284 0.000 7.162) 18.710 1.561 ( -8.611 0.000 -2.078) 8.858 1.603 ( -14.081 0.000 -12.843) 19.058 1.991 ( -12.727 0.000 -3.991) 13.338 2.067 ( -3.278 0.000 0.779) 3.369 2.153 ( -14.841 0.000 0.740) 14.859 2.295 ( -4.029 0.000 9.893) 10.682 2.344 ( 8.314 0.000 -5.050) 9.728 2.443 ( 0.843 0.000 -3.128) 3.239 2.902 ( -3.416 0.000 2.961) 4.520 2.947 ( -11.643 0.000 1.565) 11.747 3.017 ( 2.521 0.000 1.310) 2.841 3.323 ( -3.503 0.000 -4.001) 5.318 3.323 ( -4.371 0.000 -3.558) 5.636 3.377 ( 4.994 0.000 -0.495) 5.019 3.549 ( 0.493 0.000 12.819) 12.828 3.655 ( -0.325 0.000 0.867) 0.926 3.745 ( 1.079 0.000 1.426) 1.789 3.812 ( 5.621 0.000 -1.632) 5.854 3.818 ( 4.402 0.000 -0.986) 4.511 3.965 ( 1.493 0.000 2.963) 3.318 3.987 ( 1.566 0.000 0.578) 1.669 4.016 ( 2.223 0.000 -3.012) 3.743 4.038 ( 2.921 0.000 0.355) 2.942 4.244 ( 1.303 0.000 1.276) 1.824 4.374 ( 1.327 0.000 0.603) 1.458 4.494 ( 4.625 0.000 -4.511) 6.460 4.530 ( -0.723 0.000 -5.529) 5.576 4.812 ( -5.636 0.000 3.503) 6.636 4.874 ( -9.996 0.000 4.718) 11.053 4.940 ( -2.367 0.000 -11.495) 11.736 5.001 ( -0.866 0.000 -3.055) 3.175 5.024 ( 2.745 0.000 -0.938) 2.900 5.439 ( 0.292 0.000 -12.205) 12.208 5.534 ( 4.484 0.000 1.989) 4.905 5.565 ( 4.420 0.000 5.017) 6.687 5.742 ( 1.195 0.000 -5.832) 5.953 5.971 ( 4.139 0.000 -10.494) 11.281 6.207 ( 0.433 0.000 0.329) 0.543 6.322 ( -0.575 0.000 7.224) 7.246 6.447 ( -2.377 0.000 -1.850) 3.012 6.548 ( 3.024 0.000 9.992) 10.440 6.787 ( 4.523 0.000 5.260) 6.938 6.968 ( 3.051 0.000 -6.508) 7.187 7.008 ( 5.285 0.000 -0.329) 5.295 7.218 ( -0.132 0.000 -1.842) 1.847 7.266 ( -0.882 0.000 -1.868) 2.065 7.275 ( -0.487 0.000 0.645) 0.808 7.363 ( -0.546 0.000 -4.842) 4.872 7.397 ( -3.763 0.000 6.145) 7.206 7.801 ( -4.340 0.000 0.730) 4.401 8.024 ( 2.001 0.000 -0.360) 2.033 8.394 ( 2.111 0.000 1.225) 2.440 8.468 ( -0.331 0.000 0.980) 1.034 8.759 ( 4.130 0.000 2.066) 4.618 8.847 ( 3.628 0.000 0.904) 3.739 9.026 ( 4.048 0.000 -1.845) 4.448 9.208 ( -3.354 0.000 3.481) 4.834 9.500 ( -10.075 0.000 5.803) 11.627 ======================= Grid point 101 (48/88) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.844 0.000 -8.695) 8.736 1.308 ( -7.545 0.000 -3.946) 8.515 1.354 ( -4.878 0.000 -9.941) 11.073 1.489 ( 14.606 0.000 3.962) 15.134 1.638 ( -11.402 0.000 0.932) 11.440 1.878 ( -11.627 0.000 1.850) 11.774 2.068 ( -0.400 0.000 -3.782) 3.803 2.192 ( -3.763 0.000 13.528) 14.041 2.410 ( -2.346 0.000 3.782) 4.450 2.561 ( 5.957 0.000 -3.908) 7.125 2.743 ( -4.505 0.000 -3.153) 5.499 2.797 ( -5.609 0.000 -0.739) 5.657 3.020 ( -3.166 0.000 2.513) 4.042 3.216 ( -4.703 0.000 -1.314) 4.883 3.292 ( 0.942 0.000 -3.612) 3.733 3.487 ( 4.832 0.000 -6.997) 8.504 3.561 ( -0.027 0.000 14.647) 14.647 3.641 ( -1.107 0.000 0.728) 1.325 3.747 ( 0.540 0.000 1.212) 1.327 3.894 ( 0.812 0.000 0.127) 0.822 3.923 ( 4.521 0.000 1.696) 4.829 3.964 ( 1.829 0.000 0.600) 1.924 4.073 ( 4.901 0.000 5.830) 7.617 4.086 ( 4.254 0.000 -0.059) 4.254 4.220 ( 9.059 0.000 2.892) 9.509 4.267 ( 0.544 0.000 -0.372) 0.659 4.369 ( -0.767 0.000 2.544) 2.657 4.448 ( -6.527 0.000 -3.960) 7.635 4.537 ( -2.403 0.000 -3.187) 3.992 4.705 ( -4.258 0.000 1.039) 4.383 4.710 ( -1.679 0.000 1.687) 2.381 4.889 ( -3.637 0.000 -1.596) 3.972 4.992 ( 2.594 0.000 -14.035) 14.273 5.085 ( 2.331 0.000 -0.255) 2.345 5.415 ( -2.782 0.000 -17.540) 17.759 5.586 ( 1.642 0.000 2.713) 3.171 5.642 ( 1.889 0.000 5.130) 5.467 5.800 ( 3.554 0.000 -6.291) 7.226 6.028 ( 1.381 0.000 -9.869) 9.965 6.197 ( -1.150 0.000 1.698) 2.051 6.317 ( 0.050 0.000 6.602) 6.603 6.407 ( -1.148 0.000 -3.690) 3.865 6.602 ( 1.516 0.000 10.451) 10.560 6.865 ( 2.129 0.000 3.788) 4.345 7.027 ( 2.187 0.000 -5.958) 6.346 7.109 ( 2.775 0.000 2.460) 3.709 7.197 ( -4.517 0.000 3.530) 5.732 7.214 ( -0.065 0.000 -2.872) 2.873 7.251 ( -0.532 0.000 -2.576) 2.630 7.342 ( -1.144 0.000 -4.607) 4.747 7.378 ( 0.938 0.000 1.774) 2.007 7.727 ( -2.454 0.000 2.618) 3.588 8.061 ( 1.216 0.000 -0.166) 1.227 8.441 ( 2.056 0.000 -0.044) 2.057 8.465 ( 0.036 0.000 0.978) 0.978 8.829 ( 2.232 0.000 3.422) 4.086 8.888 ( 0.244 0.000 2.336) 2.349 9.083 ( -1.635 0.000 -1.327) 2.106 9.169 ( 0.978 0.000 3.897) 4.018 9.357 ( -1.986 0.000 3.049) 3.638 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -14.504 0.000 -0.677) 14.520 1.294 ( 7.158 0.000 -4.294) 8.347 1.302 ( 5.950 0.000 -9.089) 10.863 1.629 ( -11.372 0.000 0.063) 11.372 1.641 ( 6.562 0.000 -0.091) 6.563 1.768 ( 8.438 0.000 5.044) 9.831 2.050 ( -1.004 0.000 -3.672) 3.807 2.178 ( -0.338 0.000 15.436) 15.440 2.273 ( -7.035 0.000 7.117) 10.007 2.616 ( 1.115 0.000 -8.792) 8.862 2.701 ( -2.900 0.000 -1.990) 3.517 2.776 ( 3.579 0.000 0.152) 3.582 2.955 ( -0.256 0.000 3.136) 3.147 3.173 ( 1.540 0.000 -0.978) 1.825 3.304 ( -0.470 0.000 1.801) 1.861 3.564 ( 0.417 0.000 8.851) 8.861 3.585 ( 2.816 0.000 -2.352) 3.669 3.611 ( 0.042 0.000 -4.980) 4.980 3.768 ( 0.793 0.000 0.614) 1.002 3.840 ( -4.634 0.000 5.089) 6.883 3.960 ( -1.341 0.000 0.630) 1.482 4.017 ( 1.191 0.000 -4.214) 4.379 4.104 ( -4.665 0.000 0.387) 4.681 4.158 ( 0.518 0.000 4.835) 4.863 4.305 ( 3.709 0.000 -1.138) 3.879 4.324 ( 5.609 0.000 -0.919) 5.684 4.353 ( -0.991 0.000 -3.002) 3.161 4.406 ( -4.177 0.000 1.472) 4.429 4.472 ( 3.924 0.000 5.520) 6.773 4.694 ( 3.366 0.000 1.761) 3.799 4.706 ( -1.281 0.000 -1.637) 2.078 4.820 ( -0.559 0.000 -0.523) 0.766 5.091 ( 5.655 0.000 -12.864) 14.053 5.111 ( -0.015 0.000 -0.871) 0.871 5.303 ( -6.582 0.000 -18.109) 19.268 5.634 ( -2.699 0.000 5.943) 6.527 5.641 ( 3.411 0.000 0.921) 3.534 5.841 ( -0.513 0.000 -9.080) 9.094 6.032 ( -0.425 0.000 -9.122) 9.132 6.166 ( -1.732 0.000 2.283) 2.865 6.331 ( 1.029 0.000 5.857) 5.947 6.396 ( 0.303 0.000 -2.947) 2.962 6.615 ( -0.749 0.000 9.761) 9.790 6.868 ( -2.124 0.000 3.714) 4.278 7.020 ( -6.813 0.000 4.224) 8.016 7.045 ( -0.466 0.000 -4.446) 4.470 7.214 ( -0.003 0.000 -0.703) 0.703 7.215 ( 1.558 0.000 3.457) 3.792 7.247 ( 0.727 0.000 -7.501) 7.536 7.319 ( -0.771 0.000 -2.665) 2.775 7.428 ( 4.172 0.000 1.117) 4.319 7.695 ( -0.811 0.000 3.379) 3.475 8.069 ( -0.483 0.000 -0.424) 0.643 8.468 ( 0.165 0.000 0.931) 0.945 8.477 ( 1.323 0.000 -1.626) 2.097 8.837 ( -3.378 0.000 8.459) 9.109 8.871 ( -0.152 0.000 -0.645) 0.663 9.002 ( -4.628 0.000 -0.477) 4.653 9.188 ( 1.020 0.000 3.628) 3.769 9.434 ( 7.285 0.000 0.644) 7.313 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.842 0.000 14.916) 14.940 1.336 ( -16.045 0.000 0.734) 16.061 1.468 ( 9.308 0.000 -11.969) 15.162 1.474 ( 5.180 0.000 -0.145) 5.182 1.791 ( -0.329 0.000 5.396) 5.406 1.918 ( 8.261 0.000 6.460) 10.487 2.045 ( -0.291 0.000 3.840) 3.851 2.160 ( 6.149 0.000 6.992) 9.311 2.198 ( 0.037 0.000 -2.359) 2.360 2.662 ( 2.756 0.000 -9.828) 10.207 2.664 ( -0.675 0.000 0.978) 1.189 2.848 ( 4.839 0.000 5.761) 7.524 3.074 ( 9.504 0.000 2.977) 9.959 3.264 ( 5.755 0.000 -0.857) 5.819 3.284 ( -0.721 0.000 8.107) 8.139 3.545 ( -2.593 0.000 1.363) 2.929 3.557 ( -4.390 0.000 -1.115) 4.529 3.679 ( 1.707 0.000 -5.708) 5.957 3.698 ( -1.748 0.000 2.524) 3.070 3.840 ( 1.941 0.000 2.204) 2.937 3.885 ( -4.792 0.000 -2.309) 5.320 3.971 ( -3.385 0.000 -4.650) 5.752 4.000 ( -3.620 0.000 -3.813) 5.258 4.175 ( -0.355 0.000 3.146) 3.166 4.271 ( -4.586 0.000 -0.006) 4.586 4.318 ( -0.636 0.000 -2.741) 2.814 4.383 ( 1.384 0.000 0.067) 1.386 4.435 ( 1.079 0.000 -3.888) 4.035 4.568 ( 3.252 0.000 4.492) 5.546 4.672 ( 0.016 0.000 -0.903) 0.903 4.845 ( 8.903 0.000 4.129) 9.813 4.873 ( 4.288 0.000 -3.664) 5.640 5.090 ( -1.297 0.000 -1.129) 1.720 5.141 ( -4.600 0.000 -9.884) 10.902 5.194 ( 1.671 0.000 -12.569) 12.680 5.551 ( -4.575 0.000 6.715) 8.126 5.685 ( -4.188 0.000 -1.791) 4.554 5.786 ( 0.177 0.000 -7.510) 7.512 5.997 ( -2.790 0.000 -12.302) 12.614 6.123 ( -2.359 0.000 2.219) 3.238 6.355 ( 0.735 0.000 5.641) 5.688 6.426 ( 2.590 0.000 0.711) 2.685 6.575 ( -3.082 0.000 7.829) 8.414 6.777 ( -6.218 0.000 5.210) 8.113 6.892 ( -5.077 0.000 3.084) 5.940 7.009 ( -2.365 0.000 -4.044) 4.685 7.215 ( 0.249 0.000 0.547) 0.601 7.221 ( -0.492 0.000 2.856) 2.898 7.277 ( 2.030 0.000 -8.970) 9.197 7.307 ( -0.352 0.000 -0.957) 1.020 7.550 ( 6.533 0.000 2.277) 6.919 7.688 ( -0.058 0.000 3.686) 3.687 8.043 ( -1.798 0.000 -0.911) 2.016 8.473 ( 0.285 0.000 0.905) 0.949 8.493 ( 0.069 0.000 -2.908) 2.909 8.734 ( -5.541 0.000 6.910) 8.858 8.844 ( -3.226 0.000 -0.629) 3.287 8.923 ( -1.784 0.000 -0.208) 1.796 9.226 ( 2.186 0.000 4.043) 4.596 9.618 ( 9.451 0.000 0.937) 9.498 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -16.966 0.000 5.941) 17.976 1.065 ( 9.760 0.000 23.698) 25.629 1.512 ( 0.701 0.000 -0.386) 0.800 1.515 ( -10.858 0.000 10.906) 15.389 1.758 ( 9.803 0.000 -9.120) 13.389 1.998 ( -0.927 0.000 1.942) 2.152 2.019 ( -0.839 0.000 7.443) 7.491 2.394 ( 15.979 0.000 -1.408) 16.041 2.482 ( 13.993 0.000 -2.442) 14.205 2.656 ( -2.230 0.000 -9.635) 9.890 2.682 ( 5.243 0.000 2.921) 6.001 3.031 ( 10.248 0.000 4.057) 11.022 3.191 ( -5.477 0.000 2.663) 6.090 3.291 ( 3.121 0.000 9.606) 10.100 3.357 ( 1.231 0.000 0.503) 1.330 3.481 ( 3.323 0.000 0.380) 3.345 3.519 ( 0.824 0.000 -0.397) 0.914 3.637 ( -4.692 0.000 -0.330) 4.703 3.722 ( -1.728 0.000 -8.385) 8.561 3.754 ( -7.231 0.000 1.446) 7.374 3.810 ( -1.655 0.000 2.240) 2.785 3.960 ( -0.383 0.000 4.442) 4.458 3.973 ( 0.749 0.000 -13.279) 13.300 4.099 ( -0.237 0.000 -1.558) 1.576 4.281 ( 0.826 0.000 -1.324) 1.560 4.308 ( -0.424 0.000 0.641) 0.768 4.377 ( -4.796 0.000 -7.991) 9.320 4.403 ( 1.019 0.000 -1.792) 2.062 4.567 ( -2.464 0.000 -2.115) 3.248 4.712 ( 1.998 0.000 1.170) 2.315 4.907 ( -1.147 0.000 -10.780) 10.841 4.942 ( -0.917 0.000 0.958) 1.326 5.135 ( 5.672 0.000 3.370) 6.597 5.136 ( 4.326 0.000 2.058) 4.791 5.205 ( -1.118 0.000 -8.450) 8.524 5.454 ( -12.240 0.000 -3.532) 12.739 5.474 ( -2.361 0.000 7.483) 7.846 5.854 ( 3.204 0.000 -0.683) 3.276 5.906 ( -4.925 0.000 -14.218) 15.047 6.074 ( -1.832 0.000 0.798) 1.998 6.360 ( -0.536 0.000 6.742) 6.764 6.496 ( 3.406 0.000 4.208) 5.413 6.506 ( -3.032 0.000 5.512) 6.290 6.641 ( -5.554 0.000 4.650) 7.243 6.813 ( -2.191 0.000 2.612) 3.409 6.955 ( -2.283 0.000 -4.274) 4.845 7.213 ( -0.127 0.000 1.165) 1.172 7.222 ( 0.209 0.000 1.050) 1.070 7.301 ( 0.118 0.000 -2.669) 2.672 7.319 ( 1.720 0.000 -5.929) 6.174 7.643 ( -0.315 0.000 7.342) 7.348 7.736 ( 6.387 0.000 -1.749) 6.622 8.002 ( -1.714 0.000 -1.295) 2.148 8.473 ( -1.958 0.000 -1.322) 2.363 8.480 ( 0.280 0.000 0.990) 1.029 8.633 ( -3.376 0.000 2.935) 4.474 8.752 ( -4.686 0.000 0.139) 4.688 8.918 ( 0.821 0.000 -0.551) 0.988 9.273 ( 1.803 0.000 4.688) 5.023 9.817 ( 8.196 0.000 -0.552) 8.215 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.939 5.989 14.395) 15.620 1.228 ( -6.842 15.199 15.496) 22.758 1.506 ( 6.818 -3.095 0.337) 7.495 1.633 ( 6.587 7.414 6.826) 12.039 1.975 ( 3.448 0.234 9.668) 10.267 1.988 ( 0.907 2.594 -5.958) 6.561 2.110 ( 4.424 3.704 2.350) 6.230 2.461 ( 1.795 -7.186 -4.696) 8.770 2.596 ( -3.333 0.363 -4.405) 5.536 2.741 ( 6.529 4.434 -0.928) 7.947 2.951 ( -9.538 -0.628 0.207) 9.560 3.008 ( 14.906 1.645 -2.116) 15.145 3.208 ( -10.545 -3.261 -3.156) 11.480 3.308 ( 4.299 -4.500 -1.192) 6.336 3.336 ( -6.406 -2.450 -1.902) 7.117 3.414 ( 3.379 0.715 5.984) 6.909 3.437 ( -2.296 -1.572 5.949) 6.568 3.623 ( -2.684 1.499 2.233) 3.800 3.687 ( 4.509 4.721 0.738) 6.570 3.743 ( -1.885 5.736 1.371) 6.192 3.829 ( -1.014 0.391 -3.837) 3.988 3.963 ( 3.356 1.739 -0.615) 3.829 4.021 ( 0.175 0.940 -6.280) 6.353 4.109 ( -3.057 -0.052 -1.464) 3.390 4.247 ( -3.926 0.296 1.533) 4.225 4.299 ( -1.445 1.980 1.528) 2.888 4.316 ( -0.537 3.739 -6.697) 7.689 4.408 ( -8.000 -0.496 -7.619) 11.059 4.481 ( 4.615 0.688 -3.502) 5.834 4.808 ( 4.050 2.729 2.326) 5.409 4.893 ( 2.572 -0.949 -5.224) 5.900 4.965 ( -3.309 1.158 -0.371) 3.525 5.038 ( -2.533 -5.957 -0.994) 6.549 5.130 ( 0.885 -5.081 3.371) 6.162 5.259 ( 2.158 2.041 -1.504) 3.330 5.307 ( 1.949 -1.262 2.359) 3.310 5.488 ( 2.883 -0.598 2.306) 3.740 5.724 ( -1.669 -5.898 -11.666) 13.178 5.833 ( -0.151 -5.539 -0.070) 5.542 6.150 ( -0.432 4.020 -1.141) 4.201 6.279 ( 0.499 -8.634 7.020) 11.139 6.368 ( -2.598 -5.653 0.396) 6.234 6.560 ( 1.744 1.299 6.160) 6.533 6.599 ( -0.608 2.944 3.373) 4.519 6.791 ( 1.248 -0.847 2.498) 2.918 7.033 ( 0.462 7.686 -2.287) 8.032 7.124 ( 0.266 -6.897 1.521) 7.067 7.255 ( 0.230 2.789 1.064) 2.994 7.320 ( 0.608 -0.659 -0.616) 1.088 7.357 ( 0.138 1.484 -4.553) 4.791 7.609 ( -2.808 1.446 5.045) 5.952 7.774 ( 1.457 -4.816 -1.119) 5.154 8.125 ( 0.667 8.946 -6.609) 11.142 8.393 ( -2.358 -0.836 0.603) 2.573 8.591 ( 0.778 7.874 1.118) 7.991 8.611 ( 1.495 0.553 -0.192) 1.605 8.690 ( -1.377 1.485 1.655) 2.615 8.950 ( 1.137 0.595 -1.316) 1.838 9.294 ( -0.374 0.029 3.746) 3.764 9.810 ( -2.304 -8.640 -0.550) 8.959 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 15.041 13.203 7.280) 21.297 1.045 ( -5.361 18.964 14.421) 24.419 1.607 ( 2.754 -1.631 -5.296) 6.188 1.834 ( 3.586 3.038 -2.075) 5.138 1.963 ( 1.776 1.386 -3.170) 3.888 2.100 ( 5.824 0.092 11.354) 12.761 2.205 ( 0.452 -1.753 4.576) 4.921 2.410 ( -11.941 -3.064 -6.860) 14.108 2.425 ( -6.075 -5.013 -5.726) 9.737 2.638 ( -12.509 6.353 -5.333) 15.010 2.842 ( -0.114 -3.319 1.041) 3.480 2.998 ( -5.504 -4.626 0.659) 7.220 3.165 ( -1.316 -1.397 4.080) 4.509 3.315 ( -0.512 0.788 0.249) 0.972 3.388 ( 4.877 0.323 -0.041) 4.888 3.410 ( 0.196 -0.517 -4.284) 4.320 3.501 ( -0.864 2.084 4.112) 4.690 3.578 ( 5.201 3.000 9.597) 11.321 3.706 ( -0.645 2.446 0.879) 2.678 3.784 ( 3.138 7.274 -1.099) 7.998 3.812 ( 0.267 -3.731 -5.297) 6.485 3.971 ( -6.413 5.050 -3.431) 8.854 3.995 ( 0.238 -2.511 -2.000) 3.219 4.065 ( -3.973 2.072 4.211) 6.149 4.110 ( -0.202 3.959 -3.450) 5.255 4.272 ( -0.922 3.249 2.986) 4.508 4.326 ( 0.900 2.745 -5.334) 6.066 4.384 ( 4.325 -1.230 -3.932) 5.973 4.577 ( 3.394 4.593 -5.517) 7.941 4.771 ( -3.533 -6.708 0.600) 7.605 4.949 ( 0.046 -2.239 -4.648) 5.160 4.961 ( -1.029 -3.380 0.837) 3.631 5.035 ( 3.189 3.076 -0.577) 4.468 5.109 ( -4.157 0.224 1.379) 4.385 5.291 ( 1.939 -4.934 -1.491) 5.507 5.400 ( 5.576 0.466 -0.105) 5.597 5.561 ( 3.097 1.948 -1.119) 3.826 5.704 ( 0.428 -4.200 -9.499) 10.395 5.838 ( 1.318 -5.826 -3.058) 6.711 6.182 ( 2.767 -2.134 1.212) 3.698 6.269 ( -1.227 -7.333 4.662) 8.776 6.339 ( -0.227 -2.534 1.526) 2.966 6.617 ( 1.902 4.168 4.560) 6.463 6.632 ( 4.177 -2.169 4.710) 6.658 6.843 ( 3.214 -1.258 1.503) 3.764 7.056 ( 1.618 6.193 -2.932) 7.040 7.131 ( 0.283 -6.016 1.075) 6.118 7.260 ( 0.331 2.758 0.226) 2.787 7.337 ( 1.077 0.865 0.056) 1.382 7.363 ( 0.461 0.853 -4.663) 4.763 7.534 ( -4.243 3.102 4.685) 7.041 7.776 ( -1.033 -6.073 0.104) 6.161 8.114 ( -1.339 7.456 -4.811) 8.973 8.364 ( -0.105 -0.413 1.549) 1.606 8.571 ( -1.541 8.262 -0.011) 8.405 8.678 ( 3.888 1.858 0.752) 4.374 8.742 ( 5.273 -0.125 1.131) 5.394 8.973 ( 1.155 0.125 -1.872) 2.203 9.263 ( -2.454 -0.588 3.574) 4.375 9.662 ( -10.073 -7.446 3.781) 13.084 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 3.300 2.422 8.403) 9.347 1.342 ( 14.706 14.471 0.688) 20.643 1.563 ( -4.827 2.202 -6.907) 8.710 1.672 ( -16.002 4.397 -6.382) 17.780 1.936 ( -15.758 -6.334 -1.047) 17.015 2.013 ( -3.903 -4.291 -4.126) 7.118 2.173 ( -6.368 0.401 6.300) 8.966 2.194 ( -1.541 -3.160 1.550) 3.842 2.396 ( 5.373 3.126 -6.549) 9.029 2.542 ( 0.179 7.457 1.391) 7.588 2.807 ( -1.807 -6.590 8.528) 10.928 2.942 ( -5.161 0.291 -5.009) 7.197 3.061 ( -2.748 -0.046 1.673) 3.217 3.309 ( -4.225 0.470 0.130) 4.253 3.385 ( -3.221 4.171 -3.823) 6.511 3.413 ( 4.902 2.728 -0.515) 5.634 3.536 ( 2.074 0.203 5.864) 6.223 3.648 ( -0.464 -0.058 5.587) 5.606 3.767 ( 5.129 -1.860 -0.971) 5.542 3.800 ( -1.031 2.967 1.366) 3.425 3.872 ( -0.245 0.847 -2.357) 2.517 3.895 ( 5.412 -1.778 1.368) 5.858 3.952 ( -2.637 -0.392 1.792) 3.212 4.051 ( 3.545 2.692 1.732) 4.776 4.161 ( 3.105 7.506 -2.615) 8.533 4.277 ( 1.090 2.435 3.560) 4.449 4.351 ( 0.883 0.349 -3.749) 3.868 4.486 ( 4.261 0.305 -3.369) 5.441 4.611 ( 0.835 4.348 -4.823) 6.547 4.721 ( -2.268 -4.920 0.459) 5.437 4.876 ( -7.565 -1.944 0.161) 7.812 4.899 ( -4.226 -1.694 -6.100) 7.612 4.980 ( -2.646 0.463 0.574) 2.746 5.124 ( 2.168 3.351 -3.331) 5.199 5.340 ( 3.136 -5.135 -3.800) 7.116 5.491 ( 1.924 -3.989 -0.191) 4.433 5.612 ( 1.718 1.714 -3.272) 4.074 5.729 ( 2.290 -1.869 -3.319) 4.444 5.890 ( 2.568 -7.817 -7.883) 11.395 6.234 ( 1.570 -11.163 2.980) 11.660 6.247 ( -0.625 1.311 -0.313) 1.486 6.350 ( 1.030 0.713 2.233) 2.560 6.659 ( 1.430 4.944 6.620) 8.385 6.729 ( 4.480 -3.467 3.775) 6.807 6.922 ( 4.053 -1.821 0.274) 4.452 7.087 ( 0.866 -0.954 -1.783) 2.199 7.136 ( 0.352 -0.550 -0.255) 0.702 7.269 ( 0.326 1.926 -1.463) 2.441 7.361 ( 0.663 0.471 -2.437) 2.569 7.375 ( 1.242 3.866 -1.830) 4.454 7.436 ( -4.884 4.283 3.993) 7.625 7.739 ( -2.151 -4.727 1.692) 5.462 8.091 ( -0.215 5.455 -1.590) 5.686 8.386 ( 1.744 -0.892 1.141) 2.267 8.541 ( -1.197 7.063 0.303) 7.170 8.767 ( 4.048 0.828 2.161) 4.662 8.851 ( 3.634 0.408 0.536) 3.696 9.016 ( 3.489 -1.011 -2.236) 4.266 9.201 ( -3.196 -0.641 3.519) 4.797 9.447 ( -9.139 -5.236 5.719) 11.985 ======================= Grid point 108 (55/88) ======================= q-point: ( 0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 3.486 -12.322 -2.949) 13.141 1.256 ( -9.719 -3.950 -7.460) 12.873 1.361 ( -7.937 3.693 -3.943) 9.601 1.604 ( -11.434 -0.698 -0.282) 11.459 1.754 ( 11.678 13.746 -0.473) 18.043 1.896 ( -7.691 -4.554 -1.055) 9.000 2.041 ( -5.319 4.527 -2.141) 7.306 2.125 ( -4.660 -3.502 10.204) 11.752 2.507 ( 2.400 7.422 5.610) 9.608 2.606 ( 4.271 3.580 -0.638) 5.609 2.758 ( -0.818 1.600 0.564) 1.884 2.788 ( -6.210 -0.514 -4.302) 7.572 3.047 ( -2.164 0.733 -3.981) 4.590 3.242 ( -2.507 0.605 2.910) 3.888 3.295 ( -2.065 2.789 -0.497) 3.506 3.511 ( 2.808 0.269 -6.095) 6.716 3.578 ( 2.220 3.050 5.728) 6.858 3.633 ( -0.883 -0.698 3.308) 3.494 3.785 ( -0.016 -0.414 4.231) 4.252 3.858 ( -0.686 0.161 -1.912) 2.038 3.899 ( 3.750 -3.143 1.671) 5.170 3.940 ( 4.434 0.949 3.442) 5.693 4.011 ( 3.538 -1.305 4.823) 6.122 4.156 ( 4.994 -1.751 0.178) 5.295 4.212 ( -0.297 3.616 -1.471) 3.914 4.312 ( 2.562 -2.219 5.409) 6.383 4.374 ( 2.478 7.074 -2.711) 7.971 4.497 ( -4.204 2.297 -2.782) 5.540 4.583 ( -6.233 5.441 -0.450) 8.286 4.672 ( 1.207 -3.368 0.102) 3.579 4.731 ( -2.807 2.323 -0.829) 3.736 4.867 ( -0.019 -3.083 -7.387) 8.004 4.931 ( -1.594 -0.762 -3.462) 3.887 5.150 ( 0.785 0.393 -6.120) 6.182 5.404 ( 1.390 1.663 -8.635) 8.903 5.499 ( 0.593 -8.203 1.054) 8.292 5.625 ( -0.676 -2.101 0.397) 2.243 5.789 ( 2.714 -3.058 -4.003) 5.722 5.917 ( 0.385 -8.677 -6.068) 10.595 6.218 ( -1.284 -4.005 -0.878) 4.296 6.274 ( 1.274 -3.255 -0.389) 3.517 6.376 ( 1.249 3.413 1.947) 4.123 6.679 ( 0.221 4.551 7.965) 9.176 6.808 ( 2.406 -3.942 3.194) 5.616 6.999 ( 2.208 -2.308 0.105) 3.196 7.080 ( -1.087 -5.920 2.068) 6.365 7.149 ( 0.556 2.948 -2.621) 3.984 7.266 ( -0.581 1.129 -4.485) 4.661 7.341 ( -3.640 4.695 2.596) 6.484 7.378 ( 1.668 3.729 -3.300) 5.251 7.399 ( 0.602 3.575 0.873) 3.729 7.700 ( -1.353 -2.481 2.602) 3.841 8.102 ( 0.954 4.017 -0.274) 4.138 8.425 ( 1.617 -1.213 -0.280) 2.040 8.523 ( -0.535 5.026 0.993) 5.150 8.837 ( 2.130 0.765 3.954) 4.556 8.884 ( -0.263 -0.417 1.463) 1.544 9.068 ( -1.336 -1.625 -1.843) 2.797 9.167 ( 0.973 -0.129 3.630) 3.760 9.320 ( -1.369 -3.525 3.103) 4.891 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -8.325 -7.999 -2.368) 11.785 1.234 ( 8.500 -4.914 -5.523) 11.265 1.363 ( 7.407 4.128 -5.870) 10.313 1.532 ( 1.814 -1.828 4.720) 5.377 1.688 ( -10.263 -4.495 3.631) 11.778 1.880 ( -1.552 4.608 3.658) 6.085 1.933 ( -3.743 -0.949 -2.495) 4.597 2.084 ( 2.449 -0.551 8.884) 9.232 2.523 ( -1.094 13.625 4.946) 14.536 2.673 ( 1.597 4.972 -5.844) 7.837 2.701 ( -0.818 0.983 -1.594) 2.043 2.793 ( 1.833 1.704 0.846) 2.642 2.979 ( -0.843 2.435 -0.670) 2.662 3.208 ( 0.149 1.054 -0.773) 1.316 3.320 ( 3.092 1.203 1.988) 3.868 3.552 ( -2.178 0.617 5.319) 5.781 3.585 ( 2.246 -2.027 -2.667) 4.033 3.643 ( 1.379 4.179 -1.607) 4.685 3.768 ( -4.027 -5.329 4.079) 7.827 3.836 ( 0.592 6.612 0.681) 6.674 3.934 ( -0.003 -4.319 -0.207) 4.324 3.988 ( -2.040 1.355 0.514) 2.502 4.115 ( 2.951 -2.712 3.074) 5.051 4.143 ( -2.650 1.144 0.377) 2.911 4.261 ( 4.390 -5.038 1.286) 6.805 4.355 ( -0.515 0.186 -1.985) 2.059 4.380 ( -1.730 3.420 -2.629) 4.648 4.439 ( -0.740 3.462 3.456) 4.947 4.497 ( 1.450 3.723 1.491) 4.265 4.696 ( 0.957 0.394 0.421) 1.117 4.755 ( 3.275 3.341 -2.567) 5.336 4.820 ( -1.680 1.084 1.176) 2.320 4.959 ( 2.453 -6.648 -10.947) 13.041 5.155 ( -0.227 -1.238 -7.993) 8.091 5.375 ( -2.481 6.801 -8.176) 10.920 5.517 ( -1.807 -8.180 -1.404) 8.494 5.605 ( 0.592 -6.411 4.697) 7.969 5.821 ( 0.125 -4.958 -6.120) 7.877 5.904 ( -1.473 -7.209 -5.610) 9.253 6.198 ( -0.383 -3.870 0.189) 3.893 6.282 ( -0.701 -1.890 -1.976) 2.822 6.403 ( 1.248 3.246 1.334) 3.725 6.673 ( -1.102 3.859 8.386) 9.297 6.824 ( -1.202 -3.135 3.642) 4.954 6.970 ( -4.222 -2.807 3.485) 6.152 7.079 ( 0.366 -0.843 -0.795) 1.215 7.145 ( -0.741 -0.387 -1.111) 1.390 7.247 ( -0.781 0.253 -5.648) 5.707 7.296 ( -0.707 3.019 0.930) 3.237 7.388 ( -0.867 5.456 -0.292) 5.532 7.456 ( 4.900 3.134 -0.375) 5.829 7.684 ( -0.369 -1.057 2.746) 2.965 8.119 ( 0.405 4.853 -0.777) 4.931 8.455 ( 1.426 -0.535 -1.434) 2.092 8.515 ( -0.449 2.813 1.053) 3.037 8.823 ( -3.750 -1.493 8.000) 8.960 8.881 ( 0.318 1.011 -0.500) 1.172 8.992 ( -4.345 -0.972 -0.756) 4.516 9.189 ( 1.291 0.313 3.133) 3.403 9.403 ( 7.096 -3.097 0.479) 7.757 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 2.128 1.478 13.779) 14.021 1.308 ( -18.449 -4.455 10.345) 21.615 1.449 ( 4.818 0.454 -5.052) 6.995 1.576 ( 8.887 7.795 -5.571) 13.068 1.735 ( 10.440 -12.239 6.372) 17.302 1.828 ( 2.660 2.945 0.618) 4.016 1.946 ( 4.715 -5.611 3.441) 8.096 2.217 ( 8.052 1.084 0.306) 8.131 2.381 ( -8.733 13.797 1.270) 16.378 2.663 ( -0.946 3.964 -4.947) 6.410 2.750 ( 1.390 4.275 -3.679) 5.809 2.870 ( 6.780 3.054 7.110) 10.288 3.069 ( 7.962 -0.483 1.573) 8.130 3.241 ( 2.298 -0.642 0.628) 2.468 3.401 ( 3.876 7.166 3.078) 8.709 3.489 ( -2.144 -3.571 3.101) 5.193 3.588 ( -5.195 3.590 0.317) 6.323 3.631 ( -5.149 -6.142 4.352) 9.120 3.708 ( 3.900 1.715 -8.187) 9.230 3.843 ( -1.856 1.473 -0.602) 2.445 3.892 ( -5.392 -2.175 -1.000) 5.900 3.930 ( 1.333 2.537 -0.431) 2.898 4.064 ( -2.505 2.716 -2.192) 4.297 4.177 ( -0.583 -0.279 1.659) 1.780 4.251 ( -2.568 -1.634 -1.778) 3.525 4.326 ( 0.159 -1.839 0.581) 1.935 4.413 ( 0.918 1.063 -5.846) 6.012 4.439 ( -0.124 4.256 2.562) 4.969 4.544 ( 1.467 -2.161 2.045) 3.317 4.688 ( -0.295 1.969 -0.476) 2.047 4.864 ( 6.102 1.248 -1.234) 6.349 4.875 ( 6.029 -1.044 1.288) 6.252 4.986 ( 0.673 -5.024 -8.539) 9.930 5.127 ( -1.982 -0.681 -7.749) 8.028 5.315 ( -2.986 8.601 -5.589) 10.683 5.424 ( -5.257 -11.351 4.435) 13.273 5.627 ( -1.469 -5.812 -0.784) 6.046 5.788 ( -1.820 -4.319 -5.716) 7.392 5.858 ( -2.381 -6.378 -6.088) 9.133 6.206 ( 0.924 -2.084 1.326) 2.637 6.248 ( -1.900 -3.735 -1.290) 4.384 6.425 ( 0.569 0.562 0.590) 0.994 6.634 ( -2.748 3.841 8.064) 9.345 6.758 ( -4.876 -0.745 4.815) 6.893 6.872 ( -4.462 -1.313 3.586) 5.873 7.066 ( -1.318 4.209 -3.029) 5.351 7.130 ( -0.534 -5.089 1.597) 5.360 7.239 ( 0.168 0.669 -1.942) 2.061 7.297 ( 0.521 1.073 -1.653) 2.038 7.368 ( -0.737 4.344 -1.372) 4.615 7.574 ( 5.499 2.122 0.824) 5.952 7.682 ( 0.091 -0.477 2.422) 2.471 8.116 ( -0.432 6.942 -2.402) 7.359 8.490 ( 0.819 -0.332 -3.042) 3.168 8.497 ( -0.182 2.319 1.861) 2.979 8.728 ( -4.986 -0.790 7.157) 8.758 8.851 ( -3.530 0.613 -0.846) 3.682 8.927 ( -0.969 0.347 -0.467) 1.130 9.231 ( 2.292 0.789 3.265) 4.066 9.576 ( 8.675 -4.184 0.570) 9.648 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -16.823 -3.184 15.201) 22.896 1.118 ( 12.309 4.962 22.587) 26.197 1.440 ( -1.340 -3.636 -2.385) 4.550 1.650 ( -2.639 9.894 1.327) 10.326 1.871 ( 8.366 0.916 -6.026) 10.351 1.970 ( -2.017 7.310 13.119) 15.152 2.076 ( 1.851 1.652 0.684) 2.574 2.275 ( 11.859 -6.963 -3.487) 14.187 2.531 ( 13.216 -0.326 -2.736) 13.500 2.651 ( 0.237 6.286 -3.822) 7.361 2.752 ( 2.294 3.354 -1.471) 4.321 3.047 ( 6.038 0.342 3.959) 7.228 3.193 ( 0.884 -0.374 1.694) 1.947 3.300 ( 4.003 0.181 4.564) 6.074 3.404 ( -3.721 -0.320 -0.966) 3.858 3.450 ( -4.445 2.206 -1.929) 5.324 3.521 ( 2.275 -3.177 1.878) 4.336 3.579 ( 0.905 0.023 3.016) 3.149 3.704 ( -7.754 -3.766 -0.211) 8.623 3.772 ( 0.804 4.728 -3.861) 6.157 3.845 ( -0.545 0.322 -1.428) 1.562 3.947 ( -0.914 3.552 1.201) 3.860 4.036 ( -0.721 2.013 -6.127) 6.489 4.108 ( -0.831 1.349 -1.260) 2.024 4.260 ( 1.297 -1.897 0.296) 2.317 4.349 ( -0.547 2.597 -0.600) 2.721 4.379 ( -3.283 1.909 -8.929) 9.703 4.410 ( -0.329 -0.657 1.333) 1.522 4.539 ( -1.706 -1.701 -2.147) 3.227 4.722 ( 2.537 1.606 1.507) 3.359 4.892 ( -2.244 0.679 -8.410) 8.731 5.005 ( 1.341 0.068 -5.151) 5.323 5.036 ( 5.633 -5.622 4.914) 9.353 5.115 ( 0.838 -3.328 -0.999) 3.574 5.247 ( -2.558 3.735 -1.673) 4.827 5.326 ( -3.642 -5.728 1.581) 6.970 5.509 ( -5.966 -1.523 0.791) 6.208 5.765 ( -1.498 -9.177 -8.177) 12.383 5.830 ( 0.331 -2.949 -2.153) 3.666 6.187 ( -2.220 6.128 -3.099) 7.217 6.251 ( 1.517 -11.002 5.286) 12.300 6.419 ( -1.382 -3.881 0.358) 4.135 6.571 ( -2.798 3.425 7.924) 9.075 6.650 ( -4.324 2.351 4.237) 6.494 6.799 ( -2.122 -0.821 3.212) 3.937 7.039 ( -0.848 6.493 -2.670) 7.072 7.123 ( -0.238 -6.484 2.011) 6.793 7.247 ( 0.479 1.777 0.821) 2.015 7.309 ( 0.564 -0.406 -1.920) 2.042 7.359 ( -0.119 2.961 -3.419) 4.525 7.643 ( -0.152 0.185 4.865) 4.870 7.715 ( 3.506 -1.313 -1.322) 3.970 8.111 ( 0.304 8.967 -4.576) 10.072 8.449 ( -2.545 -0.784 -1.098) 2.881 8.545 ( 2.484 4.059 1.074) 4.879 8.636 ( -3.210 0.302 3.651) 4.871 8.762 ( -4.286 1.421 -0.482) 4.541 8.929 ( 0.731 0.926 -0.603) 1.325 9.277 ( 1.632 0.693 3.678) 4.083 9.751 ( 6.758 -6.505 -0.274) 9.384 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 8.856 13.726 8.140) 18.250 1.351 ( 5.550 -5.572 -3.784) 8.727 1.515 ( 5.320 8.949 17.727) 20.558 1.818 ( 3.278 4.897 3.533) 6.871 1.972 ( 0.110 0.868 -0.450) 0.984 2.080 ( 1.971 -3.678 2.422) 4.825 2.120 ( 0.408 7.960 11.249) 13.787 2.360 ( 2.366 -2.633 -4.750) 5.924 2.623 ( -6.425 3.499 -6.598) 9.852 2.846 ( 2.628 6.282 0.486) 6.827 2.935 ( -1.265 -5.455 -0.455) 5.618 3.038 ( -3.761 -1.273 -7.464) 8.454 3.094 ( 3.027 4.311 -0.971) 5.357 3.217 ( -4.371 -7.337 2.140) 8.805 3.291 ( -2.263 -4.567 -7.690) 9.226 3.365 ( 0.864 -4.117 -2.248) 4.769 3.499 ( 4.580 5.432 8.039) 10.729 3.668 ( 2.797 0.469 6.151) 6.773 3.746 ( -2.561 2.253 1.699) 3.811 3.790 ( -2.987 -2.544 -5.100) 6.435 3.874 ( 4.246 7.108 1.602) 8.434 3.993 ( -1.912 0.263 -3.125) 3.673 4.098 ( 0.357 5.048 0.955) 5.150 4.161 ( -0.709 7.454 -0.483) 7.503 4.249 ( -1.656 -0.387 3.491) 3.883 4.302 ( -0.363 -1.866 -2.826) 3.406 4.358 ( -2.948 0.790 0.408) 3.080 4.452 ( 1.267 3.088 -11.617) 12.087 4.516 ( 1.004 3.063 0.032) 3.223 4.741 ( -3.108 -9.506 4.752) 11.073 4.888 ( 1.264 0.323 -5.734) 5.881 4.961 ( 0.107 0.674 3.444) 3.511 4.982 ( 0.100 0.923 -1.522) 1.783 5.083 ( 4.794 -0.465 -5.157) 7.057 5.225 ( -0.308 -3.521 -0.219) 3.541 5.362 ( 0.605 -0.371 -4.285) 4.343 5.457 ( 3.649 1.224 -0.717) 3.915 5.638 ( 0.774 -1.964 -4.765) 5.212 5.692 ( -2.266 -7.713 -1.603) 8.198 6.003 ( -0.530 -13.958 3.627) 14.431 6.239 ( -0.910 1.890 -1.317) 2.477 6.302 ( -1.466 -2.342 -0.951) 2.922 6.615 ( 0.184 4.121 8.596) 9.535 6.672 ( -0.828 3.573 6.603) 7.553 6.783 ( 0.869 0.243 1.766) 1.983 6.971 ( -0.765 -7.753 3.601) 8.583 7.171 ( 1.214 5.470 -1.716) 5.860 7.293 ( 1.526 -1.450 -1.702) 2.706 7.314 ( -0.053 2.551 0.554) 2.611 7.373 ( -0.067 -0.065 -0.453) 0.462 7.643 ( -1.502 1.981 1.435) 2.870 7.711 ( -0.206 -2.148 -0.801) 2.301 8.266 ( -0.796 5.845 -5.000) 7.733 8.380 ( -2.090 -0.904 -0.394) 2.311 8.620 ( 1.371 0.707 -0.082) 1.545 8.650 ( 2.247 -0.294 1.144) 2.539 8.816 ( -0.155 8.720 -0.399) 8.730 8.960 ( 0.881 0.111 -1.002) 1.339 9.312 ( -1.463 2.609 2.218) 3.724 9.612 ( -2.803 -11.225 0.886) 11.604 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 14.881 15.554 1.781) 21.600 1.399 ( -5.434 15.239 10.260) 19.158 1.559 ( 5.346 -2.447 -2.949) 6.578 1.867 ( -0.548 -0.912 -6.149) 6.240 1.995 ( -0.025 -0.976 4.321) 4.430 2.085 ( -3.514 -5.057 4.037) 7.363 2.175 ( 0.462 5.243 11.349) 12.510 2.314 ( -7.157 -4.500 -0.201) 8.457 2.413 ( -5.578 2.004 -13.757) 14.980 2.663 ( -9.865 -8.368 -0.634) 12.951 2.796 ( -6.706 5.295 -0.167) 8.546 3.031 ( 1.649 3.251 -5.113) 6.280 3.100 ( -3.536 -2.111 2.943) 5.061 3.313 ( 5.186 -0.601 0.370) 5.233 3.366 ( 2.061 -1.762 -0.206) 2.719 3.401 ( 6.060 -1.150 -2.772) 6.763 3.538 ( -1.861 1.784 4.780) 5.431 3.689 ( 0.690 4.729 4.696) 6.700 3.724 ( 0.266 -0.800 0.597) 1.033 3.763 ( 2.739 -0.079 1.243) 3.009 3.902 ( -3.267 1.076 -2.342) 4.161 3.961 ( -2.411 2.199 -4.917) 5.901 4.021 ( -4.410 0.869 1.353) 4.694 4.122 ( -3.784 3.210 2.660) 5.630 4.202 ( 1.466 5.546 0.417) 5.751 4.340 ( 2.068 1.694 1.407) 3.021 4.360 ( 3.357 1.799 -3.411) 5.113 4.451 ( -0.087 6.015 -9.655) 11.376 4.599 ( 2.493 -2.680 0.580) 3.705 4.657 ( -0.719 -2.681 1.692) 3.251 4.898 ( -0.446 -0.057 -4.035) 4.060 4.946 ( -0.313 -0.054 -2.067) 2.092 5.050 ( 1.668 -0.747 -1.378) 2.289 5.124 ( -1.322 1.305 -1.381) 2.315 5.224 ( 0.707 -3.048 0.530) 3.174 5.398 ( 2.109 -3.233 -4.859) 6.205 5.560 ( 5.264 -1.943 -4.729) 7.338 5.630 ( -0.497 -0.422 -4.464) 4.512 5.696 ( 2.185 -7.136 -1.334) 7.581 5.979 ( -0.866 -12.277 3.277) 12.736 6.262 ( 2.735 0.934 -1.270) 3.157 6.298 ( 0.990 -1.828 0.067) 2.079 6.643 ( 1.867 3.328 7.762) 8.650 6.687 ( 1.845 2.814 6.444) 7.270 6.828 ( 2.862 -0.570 2.181) 3.643 6.964 ( -0.004 -7.661 3.573) 8.453 7.195 ( 0.946 4.884 -2.592) 5.610 7.298 ( -0.377 -0.230 -2.347) 2.388 7.344 ( 2.145 1.764 -0.040) 2.778 7.387 ( 1.483 0.805 -0.083) 1.690 7.595 ( -2.948 3.011 1.834) 4.595 7.690 ( -1.536 -3.152 0.349) 3.524 8.234 ( -1.901 5.199 -3.456) 6.526 8.350 ( -0.557 -1.221 0.598) 1.470 8.673 ( 3.309 2.240 -0.607) 4.042 8.731 ( 4.531 -0.717 1.168) 4.734 8.799 ( -0.789 9.190 -1.599) 9.361 8.973 ( 0.343 -0.394 -1.814) 1.887 9.261 ( -3.187 0.848 3.382) 4.724 9.489 ( -7.835 -9.878 4.015) 13.232 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -10.781 11.603 8.785) 18.111 1.536 ( -5.006 6.910 -5.349) 10.071 1.614 ( -12.691 -5.713 2.199) 14.090 1.701 ( 2.139 2.181 -1.314) 3.326 1.818 ( -8.274 -3.657 -6.106) 10.914 1.914 ( -6.316 -5.923 -6.009) 10.540 2.155 ( -2.410 3.762 4.761) 6.529 2.266 ( 0.661 4.640 -3.792) 6.029 2.465 ( 8.708 4.003 -3.931) 10.359 2.675 ( 4.096 -7.147 10.577) 13.406 2.680 ( -1.764 6.878 0.758) 7.141 2.942 ( -6.801 -4.438 -3.954) 9.032 3.035 ( -3.778 3.039 0.824) 4.919 3.297 ( -3.306 -4.315 -0.829) 5.499 3.432 ( -2.470 2.563 4.350) 5.621 3.483 ( 6.558 5.421 -2.431) 8.849 3.576 ( 4.822 -1.137 4.999) 7.038 3.640 ( -5.922 3.239 -0.158) 6.752 3.764 ( 0.729 0.044 1.966) 2.097 3.795 ( 0.395 -6.336 -1.536) 6.531 3.857 ( -2.054 2.680 0.979) 3.516 3.916 ( 4.614 3.752 1.066) 6.042 3.977 ( -0.565 -1.113 0.395) 1.309 4.097 ( -0.100 1.337 1.678) 2.148 4.229 ( 1.118 2.410 0.936) 2.817 4.360 ( 0.057 5.901 0.902) 5.970 4.441 ( 2.084 3.487 -9.279) 10.129 4.485 ( 4.654 -1.443 -2.742) 5.591 4.607 ( 1.170 3.598 0.606) 3.831 4.730 ( 3.188 0.443 -0.817) 3.320 4.852 ( -3.700 1.776 -3.868) 5.640 4.886 ( -5.799 -0.502 -1.188) 5.941 5.024 ( -1.258 3.938 -0.388) 4.152 5.096 ( -1.422 -2.726 -4.396) 5.364 5.257 ( 2.111 -6.887 1.956) 7.464 5.426 ( 0.566 -3.625 -3.162) 4.843 5.617 ( -0.342 -6.751 -3.576) 7.648 5.638 ( 1.210 -0.999 -6.190) 6.386 5.756 ( 3.219 -3.298 -2.025) 5.033 5.992 ( 1.637 -11.126 -2.396) 11.498 6.307 ( 1.644 2.685 -0.421) 3.176 6.359 ( 3.865 -0.152 -0.040) 3.868 6.694 ( 2.399 1.349 7.135) 7.648 6.733 ( 1.848 1.603 6.651) 7.087 6.895 ( 3.227 -1.151 2.121) 4.030 6.971 ( 0.370 -6.391 3.328) 7.215 7.207 ( 0.252 3.678 -3.849) 5.330 7.288 ( -0.490 -0.328 -3.671) 3.718 7.387 ( 1.847 2.246 -0.987) 3.070 7.425 ( 1.223 1.489 1.573) 2.488 7.529 ( -2.722 4.537 1.574) 5.520 7.658 ( -1.238 -3.582 1.710) 4.158 8.198 ( -0.982 5.490 -1.340) 5.736 8.355 ( 0.898 -2.435 0.757) 2.703 8.700 ( -2.048 8.521 -0.388) 8.773 8.789 ( 3.440 1.299 2.416) 4.399 8.860 ( 3.607 0.608 -0.996) 3.791 8.984 ( 1.469 -2.666 -3.373) 4.544 9.192 ( -2.912 0.108 3.934) 4.896 9.325 ( -6.734 -6.785 5.558) 11.058 ======================= Grid point 115 (62/88) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -6.921 -3.154 -0.225) 7.610 1.152 ( -14.770 -7.839 -1.028) 16.753 1.412 ( -4.930 2.650 -5.886) 8.122 1.576 ( -7.001 -2.814 -9.119) 11.836 1.791 ( -6.828 -1.643 3.440) 7.820 1.899 ( -0.662 -2.920 6.768) 7.401 2.122 ( 0.972 9.702 -0.169) 9.752 2.238 ( -3.502 8.033 -4.207) 9.720 2.645 ( 3.289 6.087 10.315) 12.420 2.671 ( 5.599 3.286 1.235) 6.609 2.747 ( -2.041 -1.418 -1.103) 2.719 2.842 ( 0.872 4.256 -1.957) 4.765 2.993 ( 0.720 -3.781 -2.653) 4.675 3.260 ( -0.915 -3.225 1.368) 3.621 3.341 ( -4.752 2.907 2.265) 6.013 3.475 ( -6.084 -2.990 -4.688) 8.242 3.624 ( 5.157 2.658 -3.354) 6.701 3.657 ( 1.503 3.005 5.401) 6.361 3.739 ( -0.395 -2.638 2.797) 3.865 3.822 ( 0.858 -0.435 -0.767) 1.230 3.927 ( 6.025 -2.977 3.332) 7.501 3.976 ( 2.414 5.138 3.146) 6.490 4.010 ( 1.656 -4.484 1.604) 5.042 4.102 ( 0.769 3.521 1.059) 3.757 4.257 ( 0.418 0.270 0.503) 0.707 4.359 ( 0.481 5.316 -1.000) 5.431 4.481 ( 1.643 1.705 -2.796) 3.664 4.533 ( -2.486 1.779 -3.245) 4.458 4.615 ( -0.931 2.251 0.864) 2.585 4.701 ( -4.177 2.704 -0.263) 4.983 4.796 ( -0.178 -2.199 -8.239) 8.529 4.814 ( 0.245 7.512 -1.524) 7.668 4.987 ( -2.410 4.494 1.724) 5.383 5.096 ( 1.802 -2.157 -4.935) 5.679 5.288 ( 0.556 -13.208 1.359) 13.289 5.436 ( 0.366 -5.560 0.189) 5.575 5.568 ( -2.951 -3.325 -1.523) 4.699 5.662 ( 0.896 -2.951 -9.322) 9.819 5.820 ( 2.430 -2.933 -2.292) 4.445 6.014 ( 0.215 -10.733 -6.922) 12.774 6.339 ( 1.165 4.551 0.307) 4.708 6.426 ( 2.120 1.131 -0.554) 2.466 6.730 ( 0.511 1.115 7.498) 7.598 6.770 ( 1.372 -0.255 6.070) 6.228 6.953 ( 1.046 -2.258 2.999) 3.897 6.980 ( 1.015 -4.230 2.354) 4.946 7.203 ( -0.458 2.641 -4.595) 5.320 7.271 ( -1.036 -0.575 -5.398) 5.527 7.402 ( -2.350 2.459 2.897) 4.468 7.428 ( 1.401 1.971 0.550) 2.480 7.511 ( 0.681 5.581 0.115) 5.623 7.648 ( 0.242 -2.768 1.759) 3.288 8.198 ( 1.017 5.725 -0.228) 5.819 8.386 ( 1.839 -3.125 -0.082) 3.627 8.641 ( -2.865 7.013 1.066) 7.650 8.836 ( -0.940 -1.730 5.124) 5.489 8.890 ( 1.042 1.691 -1.079) 2.260 9.019 ( -0.281 -3.610 -3.064) 4.743 9.168 ( 1.043 0.454 3.231) 3.426 9.244 ( 0.059 -3.883 3.362) 5.137 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.040 -5.131 -0.567) 5.266 1.082 ( 8.466 -11.142 1.063) 14.034 1.432 ( 6.788 4.098 -5.985) 9.934 1.563 ( -4.636 2.602 5.857) 7.910 1.574 ( -2.494 -2.773 -2.265) 4.363 1.778 ( -8.078 -8.924 10.570) 16.020 2.091 ( -5.989 9.307 -2.371) 11.319 2.161 ( -0.840 4.907 0.855) 5.051 2.690 ( -1.425 2.798 -0.814) 3.244 2.733 ( 4.160 3.985 2.956) 6.475 2.792 ( 4.255 5.358 2.661) 7.341 2.887 ( 1.148 9.428 -2.244) 9.759 3.011 ( 0.218 -0.353 -3.389) 3.414 3.193 ( -1.908 -1.150 4.285) 4.830 3.313 ( 0.637 -1.851 -0.575) 2.041 3.439 ( 1.999 -11.266 -2.224) 11.656 3.622 ( -2.116 5.196 0.549) 5.637 3.702 ( 0.862 0.480 -2.234) 2.442 3.771 ( 1.672 4.780 3.053) 5.913 3.858 ( 1.608 -1.680 -0.560) 2.392 3.953 ( 0.134 -0.101 0.329) 0.370 4.035 ( 1.981 -5.738 1.699) 6.304 4.076 ( -1.908 5.868 0.266) 6.176 4.140 ( 3.389 5.026 8.683) 10.590 4.197 ( -2.873 -2.145 -0.227) 3.593 4.358 ( -3.154 0.032 -4.667) 5.633 4.450 ( -0.989 4.255 -0.413) 4.388 4.507 ( 0.910 3.236 -0.897) 3.479 4.565 ( -2.264 2.041 0.038) 3.049 4.686 ( 1.300 -1.068 -0.999) 1.957 4.778 ( -1.304 -2.708 -7.536) 8.113 4.861 ( 3.110 6.676 0.783) 7.406 4.950 ( -0.502 3.715 -3.688) 5.259 5.140 ( 2.166 1.808 -2.561) 3.811 5.269 ( -3.466 -15.742 1.691) 16.208 5.432 ( 0.193 -10.410 2.724) 10.762 5.531 ( -0.674 3.756 -3.994) 5.524 5.662 ( -0.804 -4.305 -8.793) 9.824 5.847 ( 0.096 -2.789 -2.616) 3.825 5.995 ( -1.537 -11.603 -6.543) 13.409 6.349 ( -0.320 4.771 -0.569) 4.816 6.446 ( -0.186 0.679 -1.020) 1.239 6.727 ( -0.948 1.890 8.211) 8.479 6.786 ( -0.276 -1.097 6.336) 6.436 6.931 ( -2.390 -0.888 3.559) 4.378 7.012 ( 1.009 -4.204 1.940) 4.739 7.184 ( -1.191 2.600 -4.260) 5.131 7.246 ( -0.820 -0.453 -5.602) 5.680 7.355 ( -1.686 3.232 2.322) 4.322 7.439 ( -0.708 0.121 2.365) 2.472 7.550 ( 3.014 5.313 -1.037) 6.196 7.661 ( 0.696 -1.313 1.037) 1.812 8.233 ( 1.939 6.649 -1.367) 7.059 8.430 ( 2.246 -2.564 -1.959) 3.932 8.587 ( -2.181 4.845 2.747) 5.981 8.776 ( -3.743 -3.592 6.703) 8.476 8.905 ( -0.131 1.464 -0.440) 1.534 8.967 ( -3.352 -1.633 -1.114) 3.891 9.207 ( 2.453 1.729 1.904) 3.554 9.330 ( 6.286 -4.186 0.315) 7.558 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 9.906 5.388 12.233) 16.638 1.205 ( -11.968 -4.810 17.137) 21.448 1.448 ( -1.798 -2.112 4.864) 5.600 1.503 ( 8.617 -10.335 8.711) 16.029 1.710 ( 12.925 4.411 -6.810) 15.261 1.811 ( 5.152 -1.350 -1.673) 5.582 2.004 ( 3.924 7.692 -3.187) 9.205 2.188 ( 2.164 -2.996 -2.310) 4.359 2.621 ( -5.288 10.173 0.808) 11.494 2.768 ( 0.428 2.360 -4.189) 4.827 2.813 ( -0.291 6.308 -2.433) 6.767 2.974 ( 4.932 7.297 5.302) 10.280 3.050 ( 4.133 -2.059 -0.964) 4.717 3.216 ( 2.130 -2.395 -1.666) 3.613 3.344 ( 2.938 -5.444 5.677) 8.396 3.449 ( -2.136 -9.171 3.163) 9.933 3.628 ( 2.906 7.961 0.103) 8.475 3.707 ( -2.741 3.736 -6.315) 7.833 3.721 ( -4.652 3.782 0.686) 6.034 3.852 ( -2.162 1.930 -2.250) 3.669 3.945 ( -6.460 4.364 3.014) 8.358 3.994 ( 3.054 1.951 -1.136) 3.798 4.059 ( -0.104 -3.594 1.723) 3.987 4.142 ( 0.224 -3.903 1.603) 4.225 4.221 ( -0.289 1.697 3.052) 3.504 4.307 ( 0.991 1.370 -2.825) 3.292 4.455 ( 0.124 1.987 -4.077) 4.537 4.494 ( -4.353 -1.544 -3.634) 5.877 4.539 ( 1.111 4.485 1.710) 4.927 4.716 ( 1.040 -1.268 0.527) 1.723 4.789 ( 3.558 -3.365 -0.952) 4.989 4.926 ( 3.318 4.171 -1.856) 5.644 4.961 ( 0.574 1.783 -5.318) 5.638 5.139 ( -6.397 -10.230 -2.614) 12.346 5.195 ( 1.930 -0.028 1.422) 2.397 5.449 ( -0.067 -2.772 3.163) 4.206 5.500 ( -2.757 -0.294 -5.269) 5.954 5.626 ( -1.610 -5.923 -6.545) 8.973 5.821 ( -2.326 -1.794 -3.860) 4.851 5.967 ( -0.299 -13.982 -1.732) 14.092 6.326 ( -1.727 4.260 -2.095) 5.052 6.420 ( -2.096 -1.029 -1.615) 2.839 6.695 ( -2.372 2.680 8.986) 9.672 6.760 ( -2.211 0.152 7.324) 7.652 6.865 ( -3.587 1.101 2.809) 4.687 7.015 ( -0.771 -5.683 2.334) 6.192 7.158 ( -0.838 3.850 -3.162) 5.052 7.241 ( 0.509 -0.554 -3.773) 3.847 7.332 ( -0.694 2.528 1.186) 2.878 7.413 ( -1.438 0.067 1.529) 2.100 7.620 ( 3.070 2.600 -0.499) 4.054 7.675 ( 0.646 -0.332 0.273) 0.775 8.265 ( 0.952 7.803 -4.148) 8.888 8.465 ( 0.213 -2.431 -3.733) 4.460 8.562 ( 0.462 4.126 4.101) 5.836 8.700 ( -3.547 -2.263 6.982) 8.151 8.867 ( -3.009 1.193 -0.796) 3.333 8.926 ( -0.113 -0.810 -0.539) 0.979 9.268 ( 2.841 3.327 1.263) 4.554 9.473 ( 6.717 -6.199 -0.161) 9.142 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -9.250 5.942 17.954) 21.053 1.275 ( 12.925 11.344 18.824) 25.496 1.321 ( -2.168 -9.171 3.868) 10.187 1.734 ( 4.367 -5.031 6.509) 9.314 1.911 ( 6.991 2.419 0.075) 7.398 1.970 ( 8.847 -1.068 -0.361) 8.918 2.191 ( -2.001 4.454 -1.625) 5.146 2.215 ( 9.016 1.503 -5.713) 10.779 2.593 ( 4.828 8.073 -2.364) 9.699 2.794 ( 0.047 3.313 3.838) 5.070 2.824 ( 5.616 7.418 -7.078) 11.690 3.029 ( -1.887 -3.050 1.266) 3.804 3.116 ( 2.603 -4.260 -2.781) 5.715 3.289 ( 4.058 -3.505 -1.872) 5.680 3.380 ( -3.308 -1.033 2.120) 4.062 3.420 ( -1.162 -3.148 3.170) 4.616 3.509 ( -6.773 3.400 0.569) 7.599 3.635 ( -6.214 -2.925 1.779) 7.094 3.721 ( 4.828 8.946 1.147) 10.230 3.805 ( -0.388 -0.375 -2.683) 2.737 3.874 ( -1.868 2.398 -2.075) 3.680 4.031 ( -0.439 2.113 -3.486) 4.100 4.052 ( 0.809 1.699 2.834) 3.402 4.175 ( 1.543 3.414 0.099) 3.748 4.211 ( 1.169 -0.759 2.829) 3.154 4.356 ( -0.348 -3.182 -1.722) 3.635 4.384 ( -2.261 1.323 -0.834) 2.750 4.439 ( -1.019 2.450 -7.297) 7.765 4.552 ( -0.808 2.784 0.298) 2.915 4.741 ( 1.324 -2.772 2.825) 4.173 4.895 ( 3.827 -3.784 2.439) 5.909 4.916 ( -2.487 0.651 -4.992) 5.615 4.994 ( 2.481 0.531 -6.887) 7.340 5.044 ( -1.994 -5.974 -0.677) 6.334 5.229 ( 0.376 0.360 -0.396) 0.654 5.408 ( -4.456 2.077 -4.755) 6.840 5.421 ( -0.883 -0.757 2.333) 2.607 5.619 ( 0.823 -5.639 -3.854) 6.879 5.757 ( -3.221 -4.030 -4.157) 6.626 5.986 ( 1.520 -14.177 2.296) 14.442 6.281 ( -2.297 3.139 -2.687) 4.727 6.359 ( -3.293 -2.404 -1.566) 4.368 6.640 ( -2.594 3.751 9.376) 10.426 6.708 ( -2.506 2.281 7.516) 8.244 6.798 ( -2.283 1.392 1.779) 3.212 6.992 ( -1.210 -7.005 3.010) 7.720 7.153 ( 0.438 5.016 -1.945) 5.397 7.261 ( 1.337 -0.784 -1.777) 2.358 7.321 ( -0.418 1.909 0.431) 2.001 7.386 ( -1.043 -0.162 0.071) 1.058 7.657 ( 0.220 1.254 1.148) 1.715 7.697 ( 1.370 -0.668 -1.184) 1.930 8.274 ( 0.113 7.407 -5.402) 9.169 8.431 ( -2.433 -1.418 -2.065) 3.492 8.600 ( 1.693 1.683 1.547) 2.844 8.639 ( -1.739 -0.289 4.206) 4.560 8.820 ( -0.957 4.470 -0.532) 4.602 8.939 ( 1.018 -0.388 -0.283) 1.126 9.315 ( 1.183 3.728 1.350) 4.138 9.595 ( 3.964 -9.194 -0.256) 10.015 ======================= Grid point 119 (66/88) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 9.202 -11.725 1.611) 14.992 1.177 ( 9.202 11.725 1.611) 14.992 1.723 ( 4.939 -11.070 11.526) 16.726 1.723 ( 4.939 11.070 11.526) 16.726 2.002 ( 2.432 -2.555 2.042) 4.076 2.002 ( 2.432 2.555 2.042) 4.076 2.295 ( -1.456 -6.211 1.086) 6.471 2.295 ( -1.456 6.211 1.086) 6.471 2.747 ( -8.467 -9.176 -6.844) 14.239 2.747 ( -8.467 9.176 -6.844) 14.239 3.014 ( 6.380 -8.630 1.706) 10.867 3.014 ( 6.380 8.630 1.706) 10.867 3.135 ( -5.337 -2.990 -3.711) 7.155 3.135 ( -5.337 2.990 -3.711) 7.155 3.264 ( 0.858 -4.848 -4.254) 6.507 3.264 ( 0.858 4.848 -4.254) 6.507 3.609 ( 4.159 -5.496 6.039) 9.163 3.609 ( 4.159 5.496 6.039) 9.163 3.762 ( -2.420 -0.269 0.383) 2.465 3.762 ( -2.420 0.269 0.383) 2.465 3.982 ( -0.057 -2.730 -0.863) 2.864 3.982 ( -0.057 2.730 -0.863) 2.864 4.200 ( -1.603 -4.799 -1.102) 5.178 4.200 ( -1.603 4.799 -1.102) 5.178 4.261 ( 0.564 -2.362 1.973) 3.128 4.261 ( 0.564 2.362 1.973) 3.128 4.428 ( 1.221 -5.077 -4.591) 6.953 4.428 ( 1.221 5.077 -4.591) 6.953 4.587 ( -1.763 -5.436 3.012) 6.460 4.587 ( -1.763 5.436 3.012) 6.460 4.926 ( -0.059 -2.659 -4.635) 5.344 4.926 ( -0.059 2.659 -4.635) 5.344 5.047 ( 4.462 -3.767 0.626) 5.872 5.047 ( 4.462 3.767 0.626) 5.872 5.254 ( -1.074 -7.203 -6.704) 9.898 5.254 ( -1.074 7.203 -6.704) 9.898 5.527 ( 0.782 -5.249 -1.876) 5.629 5.527 ( 0.782 5.249 -1.876) 5.629 5.764 ( -0.260 -10.559 1.179) 10.627 5.764 ( -0.260 10.559 1.179) 10.627 6.268 ( -1.427 -1.452 -1.347) 2.441 6.268 ( -1.427 1.452 -1.347) 2.441 6.686 ( 0.092 -2.386 9.771) 10.059 6.686 ( 0.092 2.386 9.771) 10.059 6.837 ( -0.691 -5.707 1.508) 5.944 6.837 ( -0.691 5.707 1.508) 5.944 7.250 ( 1.155 -3.047 -1.962) 3.803 7.250 ( 1.155 3.047 -1.962) 3.803 7.356 ( 0.355 -1.614 0.728) 1.806 7.356 ( 0.355 1.614 0.728) 1.806 7.678 ( -0.922 -1.656 -0.251) 1.912 7.678 ( -0.922 1.656 -0.251) 1.912 8.347 ( -1.745 -2.807 -2.089) 3.910 8.347 ( -1.745 2.807 -2.089) 3.910 8.636 ( 1.869 -0.939 0.357) 2.122 8.636 ( 1.869 0.939 0.357) 2.122 8.934 ( 1.111 -3.435 -0.569) 3.655 8.934 ( 1.111 3.435 -0.569) 3.655 9.417 ( -2.746 -8.461 1.133) 8.967 9.417 ( -2.746 8.461 1.133) 8.967 ======================= Grid point 121 (67/88) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 14.615 -6.661 -2.682) 16.283 1.452 ( 14.615 6.661 -2.682) 16.283 1.695 ( -8.091 -13.915 8.706) 18.299 1.695 ( -8.091 13.915 8.706) 18.299 2.015 ( -5.536 -4.400 -3.483) 7.883 2.015 ( -5.536 4.400 -3.483) 7.883 2.265 ( 0.497 -2.802 8.646) 9.102 2.265 ( 0.497 2.802 8.646) 9.102 2.495 ( -8.083 -7.262 -7.871) 13.418 2.495 ( -8.083 7.262 -7.871) 13.418 2.932 ( -6.088 -7.776 -1.727) 10.026 2.932 ( -6.088 7.776 -1.727) 10.026 3.223 ( 1.223 -8.114 -2.285) 8.518 3.223 ( 1.223 8.114 -2.285) 8.518 3.373 ( 9.936 -1.560 1.173) 10.126 3.373 ( 9.936 1.560 1.173) 10.126 3.607 ( -3.737 -5.770 2.120) 7.194 3.607 ( -3.737 5.770 2.120) 7.194 3.770 ( 2.507 -0.855 4.860) 5.535 3.770 ( 2.507 0.855 4.860) 5.535 3.937 ( -4.122 -2.819 -2.344) 5.517 3.937 ( -4.122 2.819 -2.344) 5.517 4.105 ( -4.260 -5.115 -2.298) 7.042 4.105 ( -4.260 5.115 -2.298) 7.042 4.304 ( 2.465 -4.118 0.866) 4.877 4.304 ( 2.465 4.118 0.866) 4.877 4.434 ( -0.811 -4.079 -3.122) 5.201 4.434 ( -0.811 4.079 -3.122) 5.201 4.628 ( 5.368 -3.714 1.360) 6.668 4.628 ( 5.368 3.714 1.360) 6.668 4.930 ( -0.381 -1.905 -4.081) 4.520 4.930 ( -0.381 1.905 -4.081) 4.520 5.077 ( -1.347 -4.924 -0.585) 5.138 5.077 ( -1.347 4.924 -0.585) 5.138 5.267 ( 1.505 -7.609 -5.270) 9.377 5.267 ( 1.505 7.609 -5.270) 9.377 5.555 ( 1.531 -3.168 -3.247) 4.788 5.555 ( 1.531 3.168 -3.247) 4.788 5.772 ( 1.423 -9.465 0.526) 9.586 5.772 ( 1.423 9.465 0.526) 9.586 6.274 ( 2.125 -0.783 -0.799) 2.401 6.274 ( 2.125 0.783 -0.799) 2.401 6.706 ( 1.176 -1.764 9.700) 9.929 6.706 ( 1.176 1.764 9.700) 9.929 6.846 ( 1.452 -3.777 1.491) 4.312 6.846 ( 1.452 3.777 1.491) 4.312 7.265 ( 0.267 -2.704 -2.732) 3.853 7.265 ( 0.267 2.704 -2.732) 3.853 7.382 ( 1.949 -1.408 0.454) 2.447 7.382 ( 1.949 1.408 0.454) 2.447 7.643 ( -2.161 -2.201 0.710) 3.165 7.643 ( -2.161 2.201 0.710) 3.165 8.312 ( -1.422 -3.009 -1.000) 3.475 8.312 ( -1.422 3.009 -1.000) 3.475 8.708 ( 4.578 -1.598 0.043) 4.849 8.708 ( 4.578 1.598 0.043) 4.849 8.936 ( -0.956 -4.311 -2.115) 4.896 8.936 ( -0.956 4.311 -2.115) 4.896 9.324 ( -5.322 -6.416 3.713) 9.126 9.324 ( -5.322 6.416 3.713) 9.126 ======================= Grid point 123 (68/88) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -19.140 -14.083 6.502) 24.636 1.387 ( -19.140 14.083 6.502) 24.636 1.667 ( -3.982 -6.507 -3.150) 8.253 1.667 ( -3.982 6.507 -3.150) 8.253 1.820 ( -0.915 -3.578 -6.140) 7.165 1.820 ( -0.915 3.578 -6.140) 7.165 2.272 ( 0.251 -4.927 -3.670) 6.149 2.272 ( 0.251 4.927 -3.670) 6.149 2.551 ( 9.039 -5.391 6.129) 12.179 2.551 ( 9.039 5.391 6.129) 12.179 2.812 ( -4.548 -7.267 -1.245) 8.663 2.812 ( -4.548 7.267 -1.245) 8.663 3.163 ( -5.282 -8.294 -0.019) 9.833 3.163 ( -5.282 8.294 -0.019) 9.833 3.496 ( 0.309 -3.624 3.382) 4.967 3.496 ( 0.309 3.624 3.382) 4.967 3.645 ( 6.457 -8.751 -0.981) 10.919 3.645 ( 6.457 8.751 -0.981) 10.919 3.724 ( -4.885 -3.760 0.941) 6.235 3.724 ( -4.885 3.760 0.941) 6.235 3.910 ( 0.960 -3.089 2.823) 4.293 3.910 ( 0.960 3.089 2.823) 4.293 4.038 ( -1.078 -6.208 -1.344) 6.443 4.038 ( -1.078 6.208 -1.344) 6.443 4.352 ( 0.538 -8.185 -2.848) 8.683 4.352 ( 0.538 8.185 -2.848) 8.683 4.448 ( 3.242 -2.044 -1.411) 4.084 4.448 ( 3.242 2.044 -1.411) 4.084 4.738 ( 3.192 -3.159 -0.706) 4.546 4.738 ( 3.192 3.159 -0.706) 4.546 4.878 ( -3.317 -0.464 -1.796) 3.801 4.878 ( -3.317 0.464 -1.796) 3.801 5.055 ( -0.364 -4.164 -1.648) 4.493 5.055 ( -0.364 4.164 -1.648) 4.493 5.263 ( -1.830 -10.319 -1.097) 10.537 5.263 ( -1.830 10.319 -1.097) 10.537 5.578 ( 0.807 -3.139 -4.107) 5.232 5.578 ( 0.807 3.139 -4.107) 5.232 5.820 ( 2.528 -7.343 -4.006) 8.738 5.820 ( 2.528 7.343 -4.006) 8.738 6.344 ( 3.839 -1.340 -0.743) 4.133 6.344 ( 3.839 1.340 -0.743) 4.133 6.734 ( 1.042 -1.745 8.987) 9.214 6.734 ( 1.042 1.745 8.987) 9.214 6.890 ( 2.286 -1.499 2.044) 3.413 6.890 ( 2.286 1.499 2.044) 3.413 7.262 ( -0.391 -2.201 -3.968) 4.554 7.262 ( -0.391 2.201 -3.968) 4.554 7.426 ( 1.697 -1.357 0.574) 2.247 7.426 ( 1.697 1.357 0.574) 2.247 7.599 ( -1.604 -2.999 1.579) 3.750 7.599 ( -1.604 2.999 1.579) 3.750 8.292 ( -0.257 -4.225 -0.127) 4.234 8.292 ( -0.257 4.225 -0.127) 4.234 8.801 ( 2.352 -1.077 2.365) 3.505 8.801 ( 2.352 1.077 2.365) 3.505 8.907 ( -0.298 -4.848 -4.502) 6.622 8.907 ( -0.298 4.848 -4.502) 6.622 9.222 ( -3.791 -3.449 5.034) 7.184 9.222 ( -3.791 3.449 5.034) 7.184 ======================= Grid point 125 (69/88) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -14.552 -7.150 1.353) 16.270 0.991 ( -14.552 7.150 1.353) 16.270 1.491 ( -4.921 -5.243 -9.387) 11.825 1.491 ( -4.921 5.243 -9.387) 11.825 1.819 ( -5.010 -3.679 6.415) 8.932 1.819 ( -5.010 3.679 6.415) 8.932 2.282 ( -0.806 -4.293 -4.597) 6.341 2.282 ( -0.806 4.293 -4.597) 6.341 2.700 ( 2.280 -1.916 4.596) 5.476 2.700 ( 2.280 1.916 4.596) 5.476 2.797 ( 4.568 -6.286 3.438) 8.497 2.797 ( 4.568 6.286 3.438) 8.497 3.089 ( 0.147 -10.951 -1.659) 11.077 3.089 ( 0.147 10.951 -1.659) 11.077 3.418 ( -7.569 -3.753 -0.701) 8.477 3.418 ( -7.569 3.753 -0.701) 8.477 3.675 ( 2.252 -3.160 -1.543) 4.176 3.675 ( 2.252 3.160 -1.543) 4.176 3.768 ( 2.757 -7.038 2.579) 7.987 3.768 ( 2.757 7.038 2.579) 7.987 3.911 ( 0.163 -3.674 2.663) 4.540 3.911 ( 0.163 3.674 2.663) 4.540 4.092 ( 4.775 -5.272 0.575) 7.136 4.092 ( 4.775 5.272 0.576) 7.136 4.334 ( -1.602 -6.313 -2.546) 6.993 4.334 ( -1.602 6.313 -2.546) 6.993 4.519 ( 2.036 -2.223 -2.325) 3.807 4.519 ( 2.036 2.223 -2.325) 3.807 4.698 ( -4.766 -2.234 -3.549) 6.348 4.698 ( -4.766 2.234 -3.549) 6.348 4.882 ( 2.468 -10.039 1.562) 10.455 4.882 ( 2.468 10.039 1.562) 10.455 5.031 ( -2.352 -9.079 0.030) 9.379 5.031 ( -2.352 9.079 0.030) 9.379 5.224 ( -0.761 -10.904 0.810) 10.960 5.224 ( -0.761 10.904 0.810) 10.960 5.592 ( 0.674 -4.905 -5.388) 7.318 5.592 ( 0.674 4.905 -5.388) 7.318 5.856 ( 0.759 -6.282 -6.805) 9.293 5.856 ( 0.759 6.282 -6.805) 9.293 6.411 ( 2.023 -2.598 -0.850) 3.401 6.411 ( 2.023 2.598 -0.850) 3.401 6.755 ( 0.524 -1.513 8.317) 8.470 6.755 ( 0.524 1.513 8.317) 8.470 6.933 ( 1.433 -0.686 2.403) 2.881 6.933 ( 1.433 0.686 2.403) 2.881 7.247 ( -0.863 -1.868 -5.062) 5.464 7.247 ( -0.863 1.868 -5.062) 5.464 7.437 ( -0.701 -0.983 2.173) 2.486 7.437 ( -0.701 0.983 2.173) 2.486 7.593 ( 1.029 -3.285 0.718) 3.517 7.593 ( 1.029 3.285 0.718) 3.517 8.305 ( 1.540 -5.185 -0.025) 5.409 8.305 ( 1.540 5.185 -0.025) 5.409 8.767 ( -3.752 -5.533 2.924) 7.297 8.767 ( -3.752 5.533 2.924) 7.297 8.943 ( 1.489 -3.751 -2.562) 4.780 8.943 ( 1.489 3.751 -2.562) 4.780 9.189 ( 0.966 -1.851 3.292) 3.898 9.189 ( 0.966 1.851 3.292) 3.898 ======================= Grid point 127 (70/88) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 5.461 -6.789 2.861) 9.171 0.889 ( 5.461 6.789 2.861) 9.171 1.523 ( 8.187 -4.427 -9.702) 13.445 1.523 ( 8.187 4.427 -9.702) 13.445 1.632 ( -11.500 -5.640 12.652) 18.003 1.632 ( -11.500 5.640 12.652) 18.003 2.199 ( -5.510 -1.733 -1.677) 6.014 2.199 ( -5.510 1.733 -1.677) 6.014 2.736 ( 1.420 -2.102 1.179) 2.797 2.736 ( 1.420 2.102 1.179) 2.797 2.917 ( 5.388 -6.058 2.202) 8.401 2.917 ( 5.388 6.058 2.202) 8.401 3.120 ( -0.395 -9.967 1.462) 10.082 3.120 ( -0.395 9.967 1.462) 10.082 3.286 ( -1.915 -1.382 -2.959) 3.786 3.286 ( -1.915 1.382 -2.959) 3.786 3.696 ( -0.089 -1.910 -2.425) 3.089 3.696 ( -0.089 1.910 -2.425) 3.089 3.842 ( 4.168 -4.599 2.002) 6.522 3.842 ( 4.168 4.599 2.002) 6.522 3.935 ( 1.518 -4.979 2.883) 5.951 3.935 ( 1.518 4.979 2.883) 5.951 4.145 ( -2.148 -3.353 -0.355) 3.998 4.145 ( -2.148 3.353 -0.355) 3.998 4.305 ( -0.053 -6.570 0.034) 6.570 4.305 ( -0.053 6.570 0.034) 6.570 4.510 ( -1.997 -2.224 -5.390) 6.163 4.510 ( -1.997 2.224 -5.390) 6.163 4.634 ( -0.703 -4.215 -0.820) 4.351 4.634 ( -0.703 4.215 -0.820) 4.351 4.889 ( -2.428 -13.138 2.950) 13.683 4.889 ( -2.428 13.138 2.950) 13.683 4.997 ( 0.130 -6.421 -0.948) 6.492 4.997 ( 0.130 6.421 -0.948) 6.492 5.244 ( 2.350 -8.384 0.506) 8.722 5.244 ( 2.350 8.384 0.506) 8.722 5.597 ( -0.205 -5.778 -5.184) 7.765 5.597 ( -0.205 5.778 -5.184) 7.765 5.843 ( -1.713 -4.518 -6.867) 8.397 5.843 ( -1.713 4.518 -6.867) 8.397 6.425 ( -0.623 -2.786 -1.334) 3.151 6.425 ( -0.623 2.786 -1.334) 3.151 6.760 ( -0.388 -1.702 8.546) 8.722 6.760 ( -0.388 1.702 8.546) 8.722 6.946 ( -0.384 -2.391 2.327) 3.358 6.946 ( -0.384 2.391 2.327) 3.358 7.226 ( -0.807 -1.698 -4.967) 5.311 7.226 ( -0.807 1.698 -4.967) 5.311 7.412 ( -1.441 -2.541 2.839) 4.074 7.412 ( -1.441 2.541 2.839) 4.074 7.626 ( 1.727 -2.670 -0.234) 3.188 7.626 ( 1.727 2.670 -0.234) 3.188 8.352 ( 2.561 -5.470 -1.726) 6.281 8.352 ( 2.561 5.470 -1.726) 6.281 8.688 ( -3.264 -5.377 4.638) 7.816 8.688 ( -3.264 5.377 4.638) 7.816 8.935 ( -1.716 -1.650 -0.827) 2.520 8.935 ( -1.716 1.650 -0.827) 2.520 9.256 ( 4.513 -3.358 0.753) 5.675 9.256 ( 4.513 3.358 0.753) 5.675 ======================= Grid point 129 (71/88) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 10.147 -6.131 13.678) 18.101 1.113 ( 10.147 6.131 13.678) 18.101 1.397 ( -7.442 -1.080 11.877) 14.057 1.397 ( -7.442 1.080 11.877) 14.057 1.780 ( 13.361 -3.119 -6.808) 15.316 1.780 ( 13.361 3.119 -6.808) 15.316 2.122 ( 0.099 -4.379 -3.216) 5.434 2.122 ( 0.099 4.379 -3.216) 5.434 2.747 ( -0.277 -3.501 0.241) 3.520 2.747 ( -0.277 3.501 0.241) 3.520 2.962 ( -0.966 -7.074 -3.771) 8.074 2.962 ( -0.966 7.074 -3.771) 8.074 3.130 ( 2.227 -7.477 0.529) 7.819 3.130 ( 2.227 7.477 0.529) 7.819 3.309 ( 2.900 -2.983 5.851) 7.180 3.309 ( 2.900 2.983 5.851) 7.180 3.707 ( 0.676 -0.686 -4.291) 4.398 3.707 ( 0.676 0.686 -4.291) 4.398 3.873 ( -4.905 -8.692 -2.291) 10.240 3.873 ( -4.905 8.692 -2.291) 10.240 3.961 ( 0.759 -6.612 1.059) 6.739 3.961 ( 0.759 6.612 1.059) 6.739 4.051 ( -1.178 -4.713 4.075) 6.341 4.051 ( -1.178 4.713 4.075) 6.341 4.316 ( 0.294 -3.195 0.149) 3.212 4.316 ( 0.294 3.195 0.149) 3.212 4.468 ( -1.993 -0.189 -4.116) 4.577 4.468 ( -1.993 0.189 -4.116) 4.577 4.637 ( 0.359 -5.380 0.049) 5.392 4.637 ( 0.359 5.380 0.049) 5.392 4.855 ( 0.333 -10.767 1.734) 10.911 4.855 ( 0.333 10.767 1.734) 10.911 5.001 ( -0.124 -1.987 -3.014) 3.612 5.001 ( -0.124 1.987 -3.014) 3.612 5.297 ( 1.718 -6.885 -0.499) 7.114 5.297 ( 1.718 6.885 -0.499) 7.114 5.573 ( -1.879 -3.765 -3.938) 5.763 5.573 ( -1.879 3.765 -3.938) 5.763 5.794 ( -2.064 -1.658 -4.232) 4.992 5.794 ( -2.064 1.658 -4.232) 4.992 6.389 ( -2.557 -2.399 -2.267) 4.175 6.389 ( -2.557 2.399 -2.267) 4.175 6.741 ( -1.657 -2.026 9.498) 9.852 6.741 ( -1.657 2.026 9.498) 9.852 6.918 ( -2.175 -4.183 1.928) 5.094 6.918 ( -2.175 4.183 1.928) 5.094 7.215 ( 0.064 -2.182 -3.605) 4.215 7.215 ( 0.064 2.182 -3.605) 4.215 7.384 ( -1.263 -2.596 2.093) 3.566 7.384 ( -1.263 2.596 2.093) 3.566 7.660 ( 1.396 -1.403 -0.572) 2.060 7.660 ( 1.396 1.403 -0.572) 2.060 8.392 ( 0.794 -5.303 -4.242) 6.837 8.392 ( 0.794 5.303 -4.242) 6.837 8.641 ( -1.368 -3.831 5.878) 7.148 8.641 ( -1.368 3.831 5.878) 7.148 8.897 ( -1.134 -1.859 -0.512) 2.237 8.897 ( -1.134 1.859 -0.512) 2.237 9.356 ( 4.436 -5.729 -0.211) 7.248 9.356 ( 4.436 5.729 -0.211) 7.248 ======================= Grid point 131 (72/88) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -3.212 -11.682 12.367) 17.313 1.112 ( -3.212 11.682 12.367) 17.313 1.524 ( 11.909 -13.920 13.151) 22.551 1.524 ( 11.909 13.920 13.151) 22.551 1.950 ( 3.167 -3.371 -0.765) 4.688 1.950 ( 3.167 3.371 -0.765) 4.688 2.240 ( 7.541 -1.582 -6.682) 10.199 2.240 ( 7.541 1.582 -6.682) 10.199 2.761 ( 2.523 -7.010 0.640) 7.478 2.761 ( 2.523 7.010 0.640) 7.478 2.938 ( -0.479 -4.074 -3.886) 5.650 2.938 ( -0.479 4.074 -3.886) 5.650 3.164 ( 1.587 -7.131 -3.467) 8.086 3.164 ( 1.587 7.131 -3.467) 8.086 3.385 ( -0.504 -0.806 5.056) 5.145 3.385 ( -0.504 0.806 5.056) 5.145 3.584 ( -8.237 -3.264 0.184) 8.862 3.584 ( -8.237 3.264 0.184) 8.862 3.792 ( -0.256 -2.254 -2.198) 3.159 3.792 ( -0.256 2.254 -2.198) 3.159 3.973 ( 0.482 -6.328 0.115) 6.348 3.973 ( 0.482 6.328 0.115) 6.348 4.119 ( 5.007 -3.751 3.128) 6.994 4.119 ( 5.007 3.751 3.128) 6.994 4.307 ( -1.531 -4.342 0.058) 4.604 4.307 ( -1.531 4.342 0.058) 4.604 4.426 ( -1.172 -3.377 -3.536) 5.028 4.426 ( -1.172 3.377 -3.536) 5.028 4.629 ( -1.347 -5.620 1.151) 5.893 4.629 ( -1.347 5.620 1.151) 5.893 4.904 ( 3.335 -4.072 -1.853) 5.581 4.904 ( 3.335 4.072 -1.853) 5.581 4.989 ( -0.446 -2.149 -2.316) 3.190 4.989 ( -0.446 2.149 -2.316) 3.190 5.294 ( -1.701 -5.767 -3.296) 6.856 5.294 ( -1.701 5.767 -3.296) 6.856 5.532 ( -1.261 -4.267 -2.547) 5.127 5.532 ( -1.261 4.267 -2.547) 5.127 5.769 ( -0.341 -7.196 -0.580) 7.227 5.769 ( -0.341 7.196 -0.580) 7.227 6.323 ( -3.220 -1.716 -2.418) 4.378 6.323 ( -3.220 1.716 -2.418) 4.378 6.703 ( -1.850 -2.405 9.966) 10.418 6.703 ( -1.850 2.405 9.966) 10.418 6.869 ( -2.139 -5.543 1.644) 6.164 6.869 ( -2.139 5.543 1.644) 6.164 7.226 ( 0.976 -2.791 -2.184) 3.676 7.226 ( 0.976 2.791 -2.184) 3.676 7.362 ( -0.760 -2.026 1.141) 2.446 7.362 ( -0.760 2.026 1.141) 2.446 7.682 ( 0.514 -1.099 -0.605) 1.355 7.682 ( 0.514 1.099 -0.605) 1.355 8.382 ( -1.262 -4.019 -3.662) 5.581 8.382 ( -1.262 4.019 -3.662) 5.581 8.624 ( -0.438 -1.070 2.838) 3.064 8.624 ( -0.438 1.070 2.838) 3.064 8.902 ( 1.395 -3.462 0.111) 3.734 8.902 ( 1.395 3.462 0.111) 3.734 9.427 ( 1.725 -7.867 -0.239) 8.057 9.427 ( 1.725 7.867 -0.239) 8.057 ======================= Grid point 147 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 0.000 -0.000) 0.000 1.479 ( 0.000 0.000 -0.000) 0.000 1.480 ( -0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.757 ( -0.000 0.000 0.000) 0.000 2.033 ( -0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.574 ( -0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.026 ( -0.000 0.000 0.000) 0.000 3.142 ( -0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.674 ( -0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 -0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.032 ( -0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.318 ( -0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.829 ( -0.000 0.000 -0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.917 ( -0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.458 ( -0.000 0.000 -0.000) 0.000 5.563 ( -0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.888 ( -0.000 0.000 0.000) 0.000 6.061 ( -0.000 0.000 0.000) 0.000 6.436 ( -0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.605 ( 0.000 0.000 -0.000) 0.000 6.624 ( -0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 6.871 ( -0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.242 ( -0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 -0.000) 0.000 7.757 ( -0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.607 ( -0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.926 ( -0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.872 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 11.570 0.000 5.725) 12.909 1.242 ( -8.850 0.000 15.653) 17.981 1.548 ( 2.243 0.000 -3.221) 3.925 1.580 ( -9.867 0.000 -14.499) 17.538 1.778 ( 9.649 0.000 -6.095) 11.413 2.077 ( 3.921 0.000 -5.146) 6.469 2.262 ( -1.005 0.000 -6.814) 6.888 2.404 ( -11.284 0.000 -2.085) 11.475 2.461 ( -11.532 0.000 -0.505) 11.543 2.502 ( -5.301 0.000 3.594) 6.404 2.766 ( -2.454 0.000 -4.545) 5.165 3.121 ( -4.968 0.000 -3.403) 6.021 3.217 ( 3.362 0.000 2.435) 4.152 3.335 ( -2.034 0.000 1.953) 2.819 3.432 ( -2.259 0.000 0.516) 2.317 3.459 ( -2.023 0.000 4.993) 5.387 3.519 ( 1.977 0.000 0.145) 1.982 3.615 ( -3.907 0.000 -9.183) 9.980 3.637 ( 0.682 0.000 -0.590) 0.902 3.755 ( 1.863 0.000 4.127) 4.528 3.850 ( 7.122 0.000 -4.679) 8.522 3.850 ( 0.832 0.000 -0.932) 1.249 3.899 ( 8.115 0.000 15.418) 17.423 4.052 ( -1.675 0.000 0.370) 1.715 4.142 ( -3.418 0.000 4.629) 5.754 4.283 ( -1.685 0.000 1.780) 2.451 4.316 ( 4.697 0.000 -0.742) 4.755 4.420 ( 1.192 0.000 -2.524) 2.791 4.436 ( 2.381 0.000 6.520) 6.942 4.817 ( -2.094 0.000 -6.585) 6.910 4.879 ( 2.485 0.000 -2.970) 3.873 4.952 ( 2.782 0.000 -0.039) 2.783 5.029 ( -2.981 0.000 5.527) 6.279 5.157 ( -8.060 0.000 0.929) 8.114 5.223 ( 0.019 0.000 -6.480) 6.480 5.444 ( 3.948 0.000 -1.142) 4.110 5.562 ( 1.245 0.000 0.276) 1.276 5.670 ( 4.546 0.000 5.787) 7.359 5.858 ( -2.312 0.000 -0.692) 2.413 6.117 ( 3.864 0.000 -2.725) 4.728 6.426 ( -0.787 0.000 0.814) 1.133 6.516 ( -4.293 0.000 1.103) 4.433 6.583 ( 4.499 0.000 -0.512) 4.528 6.742 ( 6.250 0.000 -2.426) 6.704 6.855 ( 3.143 0.000 -1.737) 3.591 6.888 ( 1.442 0.000 2.600) 2.973 7.194 ( -1.670 0.000 0.417) 1.722 7.234 ( 1.345 0.000 -0.878) 1.607 7.244 ( 0.010 0.000 -0.994) 0.994 7.314 ( -0.465 0.000 -0.966) 1.072 7.646 ( -5.687 0.000 5.689) 8.045 7.788 ( 0.136 0.000 -5.696) 5.698 7.982 ( 1.692 0.000 0.425) 1.745 8.424 ( -0.141 0.000 2.690) 2.694 8.490 ( -0.406 0.000 0.109) 0.421 8.669 ( 5.192 0.000 -0.310) 5.201 8.764 ( 4.278 0.000 -0.054) 4.278 8.927 ( 0.282 0.000 -1.616) 1.640 9.323 ( -2.339 0.000 0.291) 2.357 9.786 ( -7.462 0.000 1.773) 7.670 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.014 0.000 3.180) 3.180 1.263 ( 14.403 0.000 6.433) 15.774 1.327 ( -10.825 0.000 -8.663) 13.864 1.508 ( -8.337 0.000 -2.554) 8.720 1.880 ( -5.285 0.000 -5.110) 7.351 2.060 ( -9.062 0.000 -0.160) 9.063 2.075 ( -10.128 0.000 -6.746) 12.168 2.209 ( 5.787 0.000 -4.379) 7.257 2.366 ( 0.346 0.000 -4.509) 4.522 2.494 ( 0.933 0.000 5.895) 5.969 2.762 ( 0.537 0.000 -8.265) 8.283 2.951 ( -9.410 0.000 -2.838) 9.828 3.095 ( -9.132 0.000 0.734) 9.162 3.258 ( -4.082 0.000 -1.096) 4.227 3.371 ( -3.420 0.000 3.837) 5.140 3.459 ( -0.465 0.000 7.528) 7.543 3.582 ( 4.752 0.000 -7.687) 9.037 3.630 ( -0.339 0.000 -2.009) 2.037 3.713 ( 6.749 0.000 0.817) 6.798 3.833 ( 5.358 0.000 2.094) 5.753 3.867 ( 1.417 0.000 2.239) 2.649 3.951 ( -1.922 0.000 -3.007) 3.569 3.987 ( 5.486 0.000 -0.648) 5.525 4.115 ( 8.250 0.000 10.585) 13.420 4.184 ( 3.605 0.000 8.152) 8.914 4.272 ( 0.339 0.000 1.449) 1.488 4.378 ( 2.016 0.000 -2.191) 2.977 4.426 ( -0.793 0.000 -3.671) 3.755 4.506 ( 3.592 0.000 8.577) 9.299 4.739 ( -3.919 0.000 -6.802) 7.850 4.906 ( -0.887 0.000 -6.979) 7.035 4.907 ( -10.616 0.000 -1.469) 10.717 4.952 ( -3.997 0.000 9.611) 10.409 5.045 ( 2.158 0.000 2.568) 3.354 5.148 ( -4.135 0.000 -9.797) 10.634 5.599 ( 6.756 0.000 3.735) 7.719 5.627 ( 4.119 0.000 0.017) 4.119 5.722 ( -0.805 0.000 2.393) 2.524 5.847 ( 2.676 0.000 -0.436) 2.711 6.182 ( 2.068 0.000 -2.480) 3.229 6.406 ( -1.044 0.000 0.800) 1.315 6.426 ( -4.002 0.000 -0.010) 4.002 6.692 ( 4.964 0.000 -0.896) 5.044 6.855 ( 4.160 0.000 0.002) 4.160 6.932 ( 2.562 0.000 4.453) 5.138 6.959 ( 6.323 0.000 -3.592) 7.272 7.150 ( -2.419 0.000 -1.128) 2.668 7.235 ( -0.822 0.000 -1.242) 1.489 7.265 ( 1.092 0.000 -1.337) 1.726 7.305 ( -0.199 0.000 -0.712) 0.739 7.518 ( -6.177 0.000 4.345) 7.552 7.767 ( -1.461 0.000 -3.206) 3.523 8.026 ( 2.146 0.000 0.524) 2.209 8.435 ( 0.852 0.000 2.445) 2.589 8.481 ( -0.315 0.000 0.168) 0.358 8.791 ( 5.148 0.000 0.928) 5.231 8.863 ( 4.432 0.000 -0.479) 4.457 8.952 ( 2.594 0.000 -3.728) 4.541 9.262 ( -2.929 0.000 0.764) 3.027 9.595 ( -9.518 0.000 2.882) 9.945 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -1.950 0.000 -4.056) 4.501 1.197 ( 0.447 0.000 -1.419) 1.488 1.254 ( -8.855 0.000 -0.587) 8.875 1.585 ( 13.803 0.000 3.938) 14.353 1.646 ( -8.040 0.000 -0.189) 8.042 1.861 ( -11.126 0.000 -3.143) 11.562 2.011 ( -0.400 0.000 -0.640) 0.755 2.364 ( -0.150 0.000 0.662) 0.678 2.392 ( 9.533 0.000 -3.426) 10.130 2.521 ( -0.014 0.000 -0.029) 0.032 2.708 ( -4.286 0.000 -4.139) 5.958 2.751 ( -7.916 0.000 2.145) 8.202 3.011 ( 0.770 0.000 -2.409) 2.529 3.196 ( -1.392 0.000 -2.046) 2.474 3.306 ( -2.182 0.000 1.711) 2.773 3.420 ( -2.032 0.000 3.911) 4.407 3.636 ( 0.420 0.000 -1.159) 1.232 3.688 ( 3.950 0.000 -3.406) 5.215 3.751 ( -1.115 0.000 2.586) 2.816 3.902 ( 1.165 0.000 1.209) 1.679 3.961 ( 4.488 0.000 1.112) 4.624 3.983 ( 2.052 0.000 -1.573) 2.586 4.100 ( 5.885 0.000 0.813) 5.941 4.229 ( 1.784 0.000 -0.394) 1.827 4.274 ( 5.619 0.000 9.522) 11.056 4.275 ( -0.926 0.000 1.093) 1.433 4.363 ( -4.530 0.000 -3.215) 5.555 4.409 ( -2.296 0.000 -5.923) 6.353 4.554 ( 2.141 0.000 5.772) 6.156 4.714 ( 1.900 0.000 -3.114) 3.648 4.715 ( -5.053 0.000 -0.212) 5.058 4.846 ( -3.444 0.000 5.495) 6.485 4.873 ( -3.125 0.000 -2.149) 3.793 5.085 ( -1.318 0.000 -5.659) 5.810 5.091 ( 1.293 0.000 0.763) 1.501 5.635 ( -1.402 0.000 2.026) 2.464 5.702 ( 2.179 0.000 -0.039) 2.179 5.748 ( 2.268 0.000 0.025) 2.268 5.909 ( 1.841 0.000 0.430) 1.890 6.207 ( 0.445 0.000 -0.920) 1.022 6.361 ( -1.718 0.000 -0.174) 1.727 6.388 ( -0.520 0.000 0.334) 0.618 6.769 ( 1.920 0.000 -0.457) 1.974 6.916 ( 1.458 0.000 0.161) 1.467 6.993 ( 2.548 0.000 3.898) 4.657 7.094 ( -2.375 0.000 -2.563) 3.494 7.103 ( 6.789 0.000 -2.779) 7.336 7.217 ( -0.576 0.000 -0.571) 0.811 7.246 ( -3.639 0.000 0.535) 3.678 7.304 ( 0.025 0.000 -0.162) 0.164 7.416 ( -2.477 0.000 1.706) 3.008 7.741 ( -0.685 0.000 -0.939) 1.162 8.062 ( 0.939 0.000 0.222) 0.965 8.451 ( 0.422 0.000 0.859) 0.957 8.478 ( -0.046 0.000 0.091) 0.102 8.855 ( 1.127 0.000 0.672) 1.313 8.954 ( 3.654 0.000 1.161) 3.834 9.009 ( 1.343 0.000 -4.270) 4.476 9.223 ( -0.270 0.000 0.602) 0.659 9.419 ( -5.845 0.000 2.077) 6.203 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.000 7.620 -0.000) 7.620 1.341 ( -0.000 -5.970 0.000) 5.970 1.644 ( 0.000 15.985 -0.000) 15.985 1.675 ( -0.000 8.326 0.000) 8.326 1.765 ( -0.000 0.903 0.000) 0.903 2.044 ( -0.000 1.040 0.000) 1.040 2.285 ( 0.000 2.661 0.000) 2.661 2.389 ( 0.000 -5.652 0.000) 5.652 2.555 ( -0.000 -1.805 0.000) 1.805 2.735 ( 0.000 4.956 0.000) 4.956 2.936 ( 0.000 0.814 0.000) 0.814 3.007 ( -0.000 0.159 0.000) 0.159 3.203 ( 0.000 3.561 -0.000) 3.561 3.212 ( -0.000 -16.282 0.000) 16.282 3.332 ( -0.000 -2.944 0.000) 2.944 3.446 ( 0.000 -4.596 0.000) 4.596 3.640 ( -0.000 -0.348 -0.000) 0.348 3.643 ( 0.000 1.112 0.000) 1.112 3.694 ( 0.000 6.169 0.000) 6.169 3.723 ( -0.000 0.962 0.000) 0.962 3.787 ( -0.000 3.315 -0.000) 3.315 3.953 ( -0.000 5.722 0.000) 5.722 3.958 ( -0.000 11.924 -0.000) 11.924 3.998 ( 0.000 -0.103 0.000) 0.103 4.264 ( 0.000 1.803 0.000) 1.803 4.280 ( 0.000 0.196 0.000) 0.196 4.287 ( -0.000 -4.098 0.000) 4.098 4.351 ( -0.000 1.590 0.000) 1.590 4.435 ( 0.000 2.848 0.000) 2.848 4.820 ( 0.000 -2.596 0.000) 2.596 4.859 ( -0.000 2.911 0.000) 2.911 4.948 ( 0.000 1.690 0.000) 1.690 5.007 ( -0.000 -5.613 0.000) 5.613 5.194 ( 0.000 -2.274 0.000) 2.274 5.234 ( 0.000 2.737 0.000) 2.737 5.369 ( -0.000 -6.880 -0.000) 6.880 5.514 ( -0.000 -4.088 0.000) 4.088 5.562 ( 0.000 -2.923 0.000) 2.923 5.833 ( -0.000 -5.657 0.000) 5.657 6.133 ( -0.000 5.082 0.000) 5.082 6.361 ( 0.000 -15.698 0.000) 15.698 6.378 ( -0.000 -4.531 -0.000) 4.531 6.614 ( 0.000 3.310 0.000) 3.310 6.655 ( 0.000 4.086 0.000) 4.086 6.820 ( -0.000 -0.125 0.000) 0.125 7.016 ( 0.000 9.167 0.000) 9.167 7.132 ( 0.000 -4.913 0.000) 4.913 7.271 ( 0.446 0.128 -0.353) 0.583 7.271 ( -0.446 2.585 0.353) 2.647 7.326 ( 0.000 2.044 0.000) 2.044 7.711 ( 0.000 -2.050 -0.000) 2.050 7.724 ( -0.000 -2.565 0.000) 2.565 8.050 ( 0.000 7.697 0.000) 7.697 8.400 ( 0.000 -1.382 0.000) 1.382 8.606 ( 0.000 8.040 0.000) 8.040 8.609 ( -0.000 0.298 0.000) 0.298 8.712 ( 0.000 0.586 0.000) 0.586 8.934 ( -0.000 0.767 0.000) 0.767 9.339 ( 0.000 -0.816 0.000) 0.816 9.798 ( -0.000 -7.420 0.000) 7.420 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 13.090 8.568 1.884) 15.758 1.319 ( -6.056 6.328 7.321) 11.415 1.495 ( -2.207 -0.743 -5.092) 5.599 1.644 ( -6.277 6.366 -8.135) 12.087 1.881 ( 4.905 6.288 -5.371) 9.615 2.102 ( 6.260 2.489 -2.898) 7.333 2.234 ( -6.203 -2.881 -7.858) 10.418 2.272 ( -14.275 -8.134 -2.806) 16.668 2.442 ( -5.021 -3.894 5.218) 8.223 2.596 ( -9.471 8.264 -0.334) 12.574 2.799 ( -0.094 3.018 -3.610) 4.706 3.095 ( -4.467 -3.642 3.284) 6.633 3.226 ( 1.244 -5.474 -0.944) 5.693 3.287 ( 0.515 -0.893 1.698) 1.987 3.382 ( 2.832 0.389 1.961) 3.467 3.417 ( 2.693 -1.239 0.418) 2.994 3.554 ( -2.002 -0.706 1.397) 2.541 3.653 ( -1.686 4.036 -4.223) 6.080 3.731 ( -2.557 5.799 -3.402) 7.193 3.753 ( -0.861 -0.539 -1.650) 1.938 3.781 ( 7.503 1.259 2.150) 7.906 3.924 ( 2.291 1.895 6.017) 6.711 3.995 ( 1.042 2.344 -0.200) 2.573 4.043 ( 0.735 6.080 1.936) 6.423 4.151 ( -2.252 1.518 5.400) 6.044 4.300 ( -0.175 0.683 1.325) 1.501 4.328 ( 3.461 0.870 -0.994) 3.704 4.393 ( 1.528 -2.556 4.805) 5.653 4.493 ( 2.900 5.544 -1.449) 6.422 4.791 ( -1.780 -4.237 0.717) 4.652 4.824 ( -0.706 -0.081 -5.173) 5.221 4.945 ( -2.970 -2.849 -0.312) 4.127 5.063 ( 3.412 -1.099 1.993) 4.101 5.139 ( -6.977 -2.358 -1.474) 7.511 5.225 ( 0.117 4.517 -1.651) 4.811 5.388 ( 3.453 -5.424 -2.751) 6.993 5.543 ( 2.756 -1.519 0.076) 3.148 5.611 ( 3.945 -5.780 2.163) 7.324 5.818 ( -1.441 -4.212 -0.063) 4.452 6.169 ( 2.984 3.749 -0.775) 4.854 6.306 ( -3.003 -13.252 -0.244) 13.590 6.409 ( 0.905 -4.967 2.032) 5.442 6.649 ( 3.140 3.326 -0.523) 4.604 6.712 ( 4.444 1.704 0.778) 4.823 6.854 ( 3.085 0.035 -1.603) 3.477 7.018 ( 0.298 7.998 -0.112) 8.005 7.136 ( 0.229 -4.366 0.036) 4.372 7.243 ( -1.610 0.247 -0.742) 1.790 7.288 ( 0.637 2.051 -1.277) 2.498 7.337 ( 1.000 3.079 0.008) 3.238 7.645 ( -4.425 0.076 4.565) 6.358 7.743 ( 0.217 -3.514 -3.262) 4.800 8.058 ( 0.732 6.840 -0.012) 6.879 8.408 ( 0.740 -1.029 2.280) 2.609 8.563 ( -1.846 5.567 -0.692) 5.906 8.686 ( 4.985 2.077 -0.517) 5.426 8.760 ( 4.031 -0.250 0.184) 4.043 8.933 ( 0.027 0.600 -1.282) 1.415 9.314 ( -2.207 -0.672 0.504) 2.361 9.720 ( -6.771 -6.584 2.081) 9.671 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -7.174 1.907 1.330) 7.541 1.333 ( -7.150 3.126 -1.858) 8.022 1.420 ( 12.477 10.355 -2.112) 16.351 1.570 ( -7.245 5.057 -3.193) 9.394 1.873 ( -4.154 -8.349 -7.236) 11.803 1.895 ( -15.019 -1.721 -3.107) 15.433 2.054 ( -4.873 -5.882 -7.124) 10.445 2.255 ( 0.936 -1.583 -3.791) 4.213 2.353 ( 3.560 5.445 4.572) 7.952 2.597 ( 4.061 7.148 2.332) 8.545 2.775 ( -2.421 1.614 -5.569) 6.283 2.967 ( -7.535 1.448 0.275) 7.678 3.082 ( -9.060 -1.266 0.028) 9.148 3.250 ( -1.878 -1.277 -2.401) 3.305 3.426 ( 0.001 4.971 4.253) 6.542 3.495 ( -1.097 2.692 6.570) 7.184 3.550 ( 0.366 -4.862 -1.852) 5.216 3.630 ( 2.608 5.554 -4.905) 7.856 3.732 ( 2.784 -3.809 -3.175) 5.687 3.809 ( 5.438 -0.654 1.506) 5.681 3.900 ( 3.773 5.194 0.145) 6.421 3.929 ( -3.003 -0.228 -0.900) 3.144 4.032 ( 5.324 1.264 5.756) 7.942 4.114 ( 4.715 1.207 2.865) 5.648 4.183 ( 2.366 0.294 6.404) 6.834 4.310 ( 1.065 3.106 1.231) 3.506 4.358 ( 0.813 -1.864 -0.549) 2.107 4.463 ( 3.427 -0.746 2.857) 4.524 4.526 ( 1.182 4.945 -1.075) 5.196 4.727 ( -3.459 -1.189 -3.693) 5.198 4.822 ( -2.096 -4.825 4.976) 7.241 4.862 ( -4.624 -1.895 -2.872) 5.764 4.960 ( -6.811 1.469 -3.542) 7.816 5.067 ( -2.444 -2.756 -2.233) 4.308 5.246 ( 1.992 10.286 -0.085) 10.477 5.479 ( 3.233 -8.934 -1.162) 9.572 5.610 ( 2.976 -3.740 2.050) 5.201 5.707 ( 4.130 -5.376 0.925) 6.842 5.794 ( 0.081 -2.485 -0.908) 2.647 6.225 ( 0.341 1.533 -1.258) 2.012 6.252 ( -0.475 -11.651 -0.204) 11.662 6.417 ( -0.037 -1.034 1.931) 2.191 6.729 ( 3.852 2.282 -1.002) 4.588 6.807 ( 3.782 -0.740 2.234) 4.455 6.938 ( 4.337 -0.309 -0.854) 4.431 7.035 ( 1.466 4.994 -0.482) 5.227 7.134 ( -0.530 -2.564 -0.006) 2.618 7.204 ( -1.906 -0.993 -2.281) 3.133 7.301 ( 0.751 2.649 -1.309) 3.049 7.367 ( 1.669 4.986 -0.436) 5.276 7.537 ( -5.685 1.912 3.957) 7.186 7.734 ( -0.739 -2.922 -1.862) 3.543 8.080 ( 1.261 5.216 0.694) 5.411 8.427 ( 0.662 -0.893 2.561) 2.792 8.532 ( -0.748 4.945 -1.113) 5.123 8.802 ( 4.991 1.118 0.955) 5.203 8.860 ( 4.743 -0.480 -1.030) 4.877 8.943 ( 1.374 -0.898 -3.034) 3.450 9.257 ( -2.791 -0.393 0.999) 2.991 9.546 ( -8.726 -4.877 3.204) 10.497 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.601 -9.482 -3.104) 10.104 1.141 ( -6.123 -2.272 0.254) 6.536 1.316 ( -9.391 4.951 -0.505) 10.628 1.598 ( -7.563 -5.564 -0.926) 9.435 1.734 ( 12.413 8.539 -1.872) 15.182 1.880 ( -0.559 -2.451 0.567) 2.577 1.971 ( -5.117 6.965 -3.516) 9.331 2.247 ( 1.453 -8.570 -1.916) 8.901 2.516 ( 7.759 8.703 0.904) 11.694 2.643 ( -1.011 9.319 0.832) 9.410 2.699 ( -3.120 0.059 -2.660) 4.101 2.797 ( -6.954 3.829 1.620) 8.102 2.959 ( -1.837 -2.647 -1.554) 3.577 3.257 ( 2.832 1.636 -4.088) 5.236 3.349 ( -5.157 4.466 2.728) 7.347 3.431 ( -2.838 0.746 3.042) 4.227 3.610 ( 3.105 -1.144 -1.120) 3.493 3.680 ( 0.775 -0.332 0.022) 0.844 3.801 ( 2.379 0.786 -0.022) 2.506 3.877 ( 0.577 1.014 0.727) 1.374 3.896 ( 0.671 -5.952 -0.849) 6.050 4.002 ( 3.561 3.548 0.623) 5.065 4.125 ( 2.989 0.352 1.225) 3.249 4.184 ( 0.006 -1.319 0.793) 1.539 4.233 ( 5.030 -2.039 6.206) 8.245 4.337 ( 0.959 3.964 0.274) 4.087 4.360 ( -3.533 -1.698 -5.179) 6.495 4.515 ( 2.161 0.685 3.252) 3.964 4.541 ( 0.062 6.838 -3.083) 7.501 4.687 ( -0.030 -2.066 -1.162) 2.370 4.727 ( -5.053 -0.242 0.948) 5.147 4.753 ( -2.388 -5.378 4.593) 7.465 4.907 ( -0.580 4.284 -4.400) 6.169 5.009 ( -2.053 -2.226 -0.804) 3.133 5.284 ( 1.163 11.712 -0.271) 11.773 5.499 ( -0.389 -9.341 0.302) 9.354 5.664 ( 1.619 -7.981 0.622) 8.168 5.765 ( 1.361 -1.407 0.300) 1.981 5.818 ( 1.142 -5.836 -0.441) 5.964 6.192 ( -1.182 -9.466 -0.386) 9.548 6.277 ( 0.819 0.481 -0.251) 0.982 6.416 ( -0.083 1.597 0.731) 1.759 6.791 ( 1.643 1.580 -0.676) 2.377 6.863 ( 1.296 -2.222 1.379) 2.919 7.016 ( 2.440 0.532 1.269) 2.802 7.077 ( 1.392 -0.990 -1.400) 2.209 7.120 ( 0.197 -0.015 -0.324) 0.380 7.164 ( -1.850 -1.693 -1.357) 2.851 7.327 ( 2.070 4.715 -1.745) 5.437 7.388 ( -1.175 7.334 0.576) 7.450 7.427 ( -2.975 1.336 2.040) 3.847 7.719 ( -0.405 -2.102 -0.550) 2.210 8.104 ( 0.700 4.211 0.461) 4.294 8.430 ( -0.208 -1.161 0.753) 1.399 8.532 ( 0.337 4.378 -0.255) 4.398 8.864 ( 0.946 0.858 0.649) 1.432 8.949 ( 3.339 -0.594 1.463) 3.693 8.986 ( 1.326 -2.504 -4.517) 5.332 9.218 ( -0.399 -0.347 0.668) 0.852 9.385 ( -5.362 -3.356 2.192) 6.695 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 8.467 0.000) 8.467 1.268 ( 0.000 -2.453 0.000) 2.453 1.796 ( 0.000 2.475 0.000) 2.475 1.803 ( -0.000 5.031 -0.000) 5.031 1.985 ( 0.000 16.213 -0.000) 16.213 2.061 ( -0.000 0.427 0.000) 0.427 2.258 ( -0.000 -6.770 0.000) 6.770 2.316 ( -0.000 -0.168 -0.000) 0.168 2.540 ( 0.000 1.939 0.000) 1.939 2.846 ( 0.000 2.188 0.000) 2.188 2.924 ( -0.000 -8.051 0.000) 8.051 2.975 ( 0.000 2.639 0.000) 2.639 3.062 ( -0.000 4.506 0.000) 4.506 3.195 ( -0.000 -3.675 0.000) 3.675 3.243 ( 0.000 -6.633 0.000) 6.633 3.343 ( -0.000 -6.117 0.000) 6.117 3.642 ( 0.000 0.413 0.000) 0.413 3.687 ( -0.000 2.065 0.000) 2.065 3.755 ( -0.000 3.641 0.000) 3.641 3.806 ( 0.000 4.049 -0.000) 4.049 3.878 ( 0.000 5.167 0.000) 5.167 3.928 ( -0.000 -1.094 0.000) 1.094 4.131 ( -0.000 5.321 0.000) 5.321 4.138 ( 0.000 3.774 -0.000) 3.774 4.233 ( 0.000 1.117 0.000) 1.117 4.290 ( -0.000 1.993 0.000) 1.993 4.310 ( 0.000 2.416 0.000) 2.416 4.389 ( -0.000 1.891 0.000) 1.891 4.514 ( 0.000 6.118 0.000) 6.118 4.764 ( 0.000 -3.326 0.000) 3.326 4.844 ( -0.000 -4.989 0.000) 4.989 4.950 ( 0.000 -2.792 0.000) 2.792 4.978 ( -0.000 4.619 0.000) 4.619 5.076 ( -0.000 -5.918 0.000) 5.918 5.252 ( -0.000 -5.557 -0.000) 5.557 5.267 ( -0.000 -3.984 0.000) 3.984 5.447 ( -0.000 -0.394 0.000) 0.394 5.584 ( 0.000 6.753 0.000) 6.753 5.680 ( -0.000 -9.799 0.000) 9.799 6.042 ( 0.000 -15.133 0.000) 15.133 6.218 ( -0.000 2.143 0.000) 2.143 6.300 ( -0.000 -3.344 0.000) 3.344 6.716 ( 0.000 7.006 0.000) 7.006 6.734 ( -0.000 3.871 0.000) 3.871 6.817 ( -0.000 -0.441 0.000) 0.441 7.017 ( 0.000 -7.301 0.000) 7.301 7.153 ( 0.000 5.057 0.000) 5.057 7.247 ( -0.000 -1.494 0.000) 1.494 7.326 ( 0.000 2.662 0.000) 2.662 7.366 ( 0.000 1.164 0.000) 1.164 7.683 ( 0.000 -0.755 -0.000) 0.755 7.688 ( -0.000 -1.066 0.000) 1.066 8.205 ( 0.000 7.708 0.000) 7.708 8.375 ( 0.000 -1.673 0.000) 1.673 8.619 ( -0.000 0.814 0.000) 0.814 8.665 ( 0.000 -0.809 0.000) 0.809 8.816 ( 0.000 8.335 0.000) 8.335 8.948 ( -0.000 0.438 0.000) 0.438 9.339 ( 0.000 1.572 0.000) 1.572 9.617 ( -0.000 -10.751 0.000) 10.751 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 13.136 7.721 -6.006) 16.378 1.378 ( 8.845 0.628 -4.566) 9.974 1.597 ( -13.567 9.068 -6.082) 17.415 1.781 ( -5.388 4.862 4.765) 8.682 1.977 ( -4.868 5.817 -12.301) 14.451 2.081 ( -10.491 -8.356 -4.540) 14.160 2.107 ( -0.645 -4.893 -1.440) 5.142 2.193 ( -9.950 -2.418 -2.679) 10.585 2.470 ( -2.038 7.422 9.261) 12.042 2.730 ( -7.019 4.484 2.401) 8.668 2.868 ( -0.765 2.690 0.009) 2.796 2.962 ( 1.847 -8.349 4.662) 9.739 3.100 ( -1.227 -1.743 -1.889) 2.849 3.300 ( 1.642 -6.213 -2.667) 6.958 3.380 ( 6.250 3.813 3.048) 7.930 3.417 ( 9.624 0.369 1.598) 9.763 3.553 ( -4.155 1.416 -1.922) 4.791 3.718 ( 0.880 -2.511 0.002) 2.661 3.753 ( -3.867 1.923 -2.179) 4.837 3.790 ( -1.431 2.547 -4.024) 4.973 3.838 ( 1.809 4.371 -0.583) 4.767 3.935 ( 1.148 2.059 5.613) 6.088 4.101 ( -2.962 1.304 4.397) 5.460 4.133 ( 0.619 6.274 -1.788) 6.553 4.229 ( -2.601 3.584 0.662) 4.478 4.262 ( 1.829 -2.211 3.183) 4.286 4.356 ( 2.495 2.412 0.602) 3.522 4.390 ( 0.518 1.941 -1.286) 2.386 4.584 ( 1.767 2.882 -1.705) 3.786 4.737 ( 1.059 -0.188 5.554) 5.657 4.829 ( -1.185 -1.166 -2.567) 3.058 4.899 ( -1.994 -0.278 -0.724) 2.140 5.008 ( -1.808 -2.141 -2.360) 3.664 5.078 ( 0.241 -3.508 -3.073) 4.670 5.261 ( 0.708 -6.017 -1.107) 6.159 5.320 ( 4.250 -0.456 1.472) 4.521 5.471 ( 2.548 -3.247 -2.608) 4.882 5.576 ( -0.943 3.169 -0.494) 3.343 5.702 ( 1.939 -6.671 1.263) 7.061 6.012 ( -2.342 -14.391 -0.041) 14.580 6.245 ( 2.339 2.374 0.324) 3.349 6.326 ( 2.202 -3.393 1.741) 4.404 6.737 ( 1.909 5.807 0.490) 6.132 6.770 ( 2.840 3.652 1.150) 4.768 6.852 ( 3.000 -0.520 -1.318) 3.318 7.020 ( 0.238 -6.860 1.065) 6.946 7.146 ( -0.522 4.444 -1.371) 4.680 7.232 ( -1.287 -1.032 -1.465) 2.206 7.335 ( 0.801 2.761 -0.668) 2.951 7.387 ( 1.887 1.315 -0.027) 2.300 7.653 ( -2.420 0.695 2.601) 3.620 7.688 ( -0.294 -1.905 -0.775) 2.078 8.201 ( -0.258 7.417 0.912) 7.477 8.381 ( 0.528 -2.066 2.155) 3.032 8.641 ( 1.398 2.569 -1.982) 3.533 8.714 ( 4.374 -0.870 -2.432) 5.080 8.806 ( -0.248 6.012 0.998) 6.099 8.942 ( -0.683 -0.124 -0.792) 1.053 9.316 ( -2.089 1.502 1.367) 2.914 9.559 ( -5.020 -9.470 2.635) 11.038 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -17.212 6.656 -4.904) 19.095 1.433 ( -11.985 6.620 -0.640) 13.707 1.549 ( 9.541 2.060 -9.263) 13.457 1.662 ( -13.562 -3.393 -6.207) 15.296 1.671 ( -4.321 -1.725 -1.380) 4.853 1.857 ( -4.317 -9.046 -1.941) 10.210 2.009 ( 1.069 5.582 -8.717) 10.406 2.184 ( -0.901 -3.805 -2.595) 4.693 2.531 ( 7.256 11.012 7.205) 15.028 2.706 ( 2.471 3.629 1.614) 4.677 2.807 ( -4.218 1.241 -0.780) 4.465 2.977 ( -1.718 -3.933 6.598) 7.871 3.049 ( -4.032 1.595 -0.252) 4.344 3.235 ( -3.864 -1.210 -4.219) 5.847 3.458 ( 1.299 -1.412 -2.973) 3.538 3.536 ( -2.006 3.348 -2.123) 4.442 3.550 ( 0.371 2.113 5.179) 5.605 3.635 ( -2.100 -3.609 -2.440) 4.837 3.728 ( 2.448 0.589 0.498) 2.567 3.809 ( 3.833 4.482 0.439) 5.914 3.925 ( 0.434 -1.898 4.097) 4.536 3.994 ( 5.206 3.453 1.676) 6.468 4.081 ( 2.176 1.643 6.604) 7.145 4.127 ( -2.409 -0.861 1.686) 3.064 4.201 ( 1.115 3.056 -6.184) 6.987 4.301 ( 1.522 -2.732 4.464) 5.450 4.377 ( 1.437 3.455 -0.879) 3.844 4.442 ( 2.483 -1.009 0.023) 2.680 4.588 ( 0.990 2.979 -2.849) 4.239 4.729 ( -3.721 -0.030 -0.968) 3.845 4.818 ( -3.446 2.144 -1.559) 4.348 4.867 ( -0.278 2.888 2.644) 3.926 4.954 ( 0.157 1.841 -4.023) 4.427 5.071 ( -0.886 1.092 1.387) 1.975 5.272 ( 0.568 -10.137 -2.453) 10.445 5.409 ( 3.498 1.083 2.477) 4.421 5.534 ( 2.050 -6.399 -3.311) 7.491 5.543 ( -1.466 -2.334 -1.033) 2.943 5.754 ( 2.604 -3.028 1.661) 4.325 5.961 ( -2.166 -14.271 -0.740) 14.453 6.302 ( 2.623 3.291 0.116) 4.210 6.383 ( 2.651 -1.985 1.868) 3.803 6.786 ( 2.292 3.809 0.641) 4.491 6.833 ( 2.497 2.552 1.373) 3.826 6.925 ( 3.515 -1.062 -0.932) 3.788 7.027 ( 0.278 -5.610 1.740) 5.880 7.135 ( -0.325 3.047 -1.556) 3.437 7.197 ( -1.814 -0.392 -2.428) 3.056 7.360 ( 1.571 3.366 -1.314) 3.940 7.436 ( 2.337 1.436 -0.473) 2.783 7.587 ( -3.641 3.058 2.696) 5.466 7.678 ( -0.515 -2.509 0.162) 2.567 8.200 ( 0.151 6.755 1.650) 6.955 8.394 ( 0.399 -2.798 2.711) 3.917 8.648 ( -0.522 6.672 -3.675) 7.636 8.827 ( 5.214 -0.009 -2.670) 5.858 8.840 ( 3.622 -0.342 0.547) 3.679 8.919 ( -1.201 -1.684 -0.822) 2.225 9.261 ( -2.743 1.249 1.963) 3.597 9.430 ( -6.571 -6.678 3.732) 10.085 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.878 -2.462 -2.797) 9.628 1.094 ( -11.590 -3.997 -1.401) 12.340 1.385 ( -8.888 1.462 -0.844) 9.047 1.439 ( -5.568 -7.584 1.311) 9.500 1.786 ( 4.303 2.992 -6.696) 8.504 1.986 ( 6.649 1.112 0.219) 6.745 2.081 ( 3.982 2.759 -7.565) 8.983 2.137 ( -1.994 1.976 1.781) 3.324 2.684 ( 2.604 5.663 0.074) 6.233 2.726 ( 0.221 5.084 0.321) 5.099 2.782 ( 3.477 5.054 3.436) 7.031 2.890 ( -5.490 5.693 2.551) 8.310 2.942 ( -3.987 0.635 -0.144) 4.040 3.246 ( 4.880 -3.329 -2.317) 6.345 3.389 ( -4.959 -2.008 -3.995) 6.677 3.405 ( -7.318 -2.426 1.823) 7.923 3.597 ( 4.447 0.758 1.265) 4.685 3.681 ( 0.968 -2.434 -0.811) 2.742 3.782 ( 1.956 2.450 1.539) 3.492 3.829 ( -1.246 0.752 1.266) 1.928 3.945 ( 0.827 0.862 0.504) 1.296 4.061 ( -2.483 -4.649 0.723) 5.319 4.080 ( 2.805 2.879 1.615) 4.332 4.189 ( 6.269 -0.764 7.631) 9.906 4.237 ( 1.561 2.522 -2.964) 4.193 4.318 ( -2.121 -1.159 -3.636) 4.366 4.408 ( 0.802 2.719 -0.204) 2.842 4.471 ( 0.681 -2.697 0.237) 2.792 4.623 ( 0.703 -0.396 -4.411) 4.484 4.665 ( -0.086 2.707 0.949) 2.870 4.727 ( -2.408 0.083 -0.720) 2.515 4.822 ( -3.826 12.097 2.297) 12.894 4.978 ( 1.168 1.791 -4.023) 4.556 5.062 ( -0.441 8.452 3.645) 9.215 5.294 ( 1.408 -13.012 -0.557) 13.100 5.455 ( 0.239 -5.072 1.312) 5.244 5.508 ( -0.262 1.690 -2.985) 3.440 5.563 ( 0.200 -10.397 0.330) 10.404 5.803 ( 1.513 -1.501 1.003) 2.356 5.925 ( -1.017 -14.589 -0.745) 14.643 6.344 ( 1.073 4.008 0.075) 4.150 6.426 ( 1.130 -0.369 0.632) 1.347 6.823 ( 0.978 2.006 0.176) 2.238 6.868 ( 0.753 1.800 0.714) 2.077 6.991 ( 2.472 -2.474 -0.684) 3.564 7.025 ( -0.652 -3.803 1.565) 4.164 7.134 ( 0.235 1.606 -0.258) 1.643 7.161 ( -1.233 0.220 -1.884) 2.262 7.403 ( 2.470 3.364 -1.841) 4.561 7.459 ( -1.082 1.398 0.886) 1.977 7.524 ( -1.333 6.103 1.092) 6.342 7.669 ( -0.263 -2.914 0.253) 2.936 8.206 ( 0.249 6.100 0.939) 6.177 8.397 ( -0.104 -2.789 1.081) 2.993 8.637 ( -0.183 6.693 -1.517) 6.865 8.879 ( -0.005 -0.497 -0.575) 0.760 8.914 ( 1.539 -3.585 -0.590) 3.946 8.936 ( 2.864 -1.092 -1.084) 3.251 9.218 ( -0.895 0.591 1.016) 1.477 9.310 ( -3.949 -4.033 2.221) 6.066 ======================= Grid point 171 (85/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.000 -4.768 0.000) 4.768 1.208 ( -0.000 4.768 0.000) 4.768 1.844 ( -0.000 -1.315 0.000) 1.315 1.844 ( 0.000 1.315 0.000) 1.315 2.084 ( -0.000 -2.957 0.000) 2.957 2.084 ( 0.000 2.957 0.000) 2.957 2.265 ( 0.000 -5.423 0.000) 5.423 2.265 ( -0.000 5.423 -0.000) 5.423 2.658 ( 0.000 -9.981 0.000) 9.981 2.658 ( 0.000 9.981 0.000) 9.981 3.038 ( 0.000 -7.021 0.000) 7.021 3.038 ( 0.000 7.021 0.000) 7.021 3.079 ( 0.000 -8.665 0.000) 8.665 3.079 ( 0.000 8.665 0.000) 8.665 3.223 ( -0.000 -6.042 0.000) 6.042 3.223 ( -0.000 6.042 0.000) 6.042 3.670 ( 0.000 -2.142 0.000) 2.142 3.670 ( -0.000 2.142 0.000) 2.142 3.834 ( -0.000 -2.017 -0.000) 2.017 3.834 ( 0.000 2.017 -0.000) 2.017 3.922 ( 0.000 -0.378 0.000) 0.378 3.922 ( 0.000 0.378 0.000) 0.378 4.158 ( 0.000 -0.285 0.000) 0.285 4.158 ( 0.000 0.285 0.000) 0.285 4.291 ( -0.000 -2.753 0.000) 2.753 4.291 ( -0.000 2.753 0.000) 2.753 4.383 ( 0.000 -3.160 0.000) 3.160 4.383 ( -0.000 3.160 0.000) 3.160 4.657 ( 0.000 -8.105 0.000) 8.105 4.657 ( 0.000 8.105 0.000) 8.105 4.837 ( 0.000 -4.981 0.000) 4.981 4.837 ( 0.000 4.981 0.000) 4.981 5.063 ( -0.000 -1.109 0.000) 1.109 5.063 ( -0.000 1.109 0.000) 1.109 5.170 ( -0.000 -0.339 0.000) 0.339 5.170 ( 0.000 0.339 0.000) 0.339 5.511 ( 0.000 -6.620 0.000) 6.620 5.511 ( 0.000 6.620 0.000) 6.620 5.779 ( 0.000 -12.469 0.000) 12.469 5.779 ( 0.000 12.469 0.000) 12.469 6.252 ( -0.000 -1.837 0.000) 1.837 6.252 ( -0.000 1.837 0.000) 1.837 6.793 ( 0.000 -2.195 0.000) 2.195 6.793 ( -0.000 2.195 0.000) 2.195 6.865 ( -0.000 -8.280 0.000) 8.280 6.865 ( 0.000 8.280 0.000) 8.280 7.217 ( 0.000 -2.086 0.000) 2.086 7.217 ( -0.000 2.086 0.000) 2.086 7.364 ( 0.000 -1.206 0.000) 1.206 7.364 ( -0.000 1.206 0.000) 1.206 7.678 ( 0.000 -0.110 0.000) 0.110 7.678 ( -0.000 0.110 0.000) 0.110 8.321 ( 0.000 -4.331 0.000) 4.331 8.321 ( 0.000 4.331 0.000) 4.331 8.641 ( -0.000 -1.359 0.000) 1.359 8.641 ( 0.000 1.359 0.000) 1.359 8.930 ( 0.000 -3.061 0.000) 3.061 8.930 ( -0.000 3.061 0.000) 3.061 9.428 ( 0.000 -8.006 0.000) 8.006 9.428 ( -0.000 8.006 0.000) 8.006 ======================= Grid point 175 (86/88) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 12.156 -4.052 -7.825) 15.014 1.350 ( 12.156 4.052 -7.825) 15.014 1.767 ( -9.457 -7.000 -4.953) 12.766 1.767 ( -9.457 7.000 -4.953) 12.766 1.986 ( -12.169 -2.692 -2.072) 12.634 1.986 ( -12.169 2.692 -2.072) 12.634 2.132 ( -5.181 -5.070 -3.410) 8.011 2.132 ( -5.181 5.070 -3.410) 8.011 2.651 ( 0.470 -10.206 11.130) 15.108 2.651 ( 0.470 10.206 11.130) 15.108 2.896 ( -4.470 -3.227 -0.943) 5.593 2.896 ( -4.470 3.227 -0.943) 5.593 3.164 ( 2.520 -7.069 -2.439) 7.891 3.164 ( 2.520 7.069 -2.439) 7.891 3.419 ( 10.426 -0.523 1.617) 10.563 3.419 ( 10.426 0.523 1.617) 10.563 3.622 ( -2.260 -5.446 -0.414) 5.911 3.622 ( -2.260 5.446 -0.414) 5.911 3.792 ( -4.184 -2.023 -4.502) 6.470 3.792 ( -4.184 2.023 -4.502) 6.470 3.940 ( 2.611 -3.669 3.615) 5.775 3.940 ( 2.611 3.669 3.615) 5.775 4.124 ( -3.288 -3.663 3.618) 6.109 4.124 ( -3.288 3.663 3.618) 6.109 4.270 ( -0.432 -1.784 -1.284) 2.241 4.270 ( -0.432 1.784 -1.284) 2.241 4.403 ( 0.594 -1.537 0.147) 1.655 4.403 ( 0.594 1.537 0.147) 1.655 4.677 ( 1.904 -7.266 -0.476) 7.526 4.677 ( 1.904 7.266 -0.476) 7.526 4.849 ( 0.936 -3.434 -0.591) 3.608 4.849 ( 0.936 3.434 -0.591) 3.608 5.033 ( -2.074 -3.257 -3.649) 5.313 5.033 ( -2.074 3.257 -3.649) 5.313 5.226 ( 3.631 -4.662 1.853) 6.193 5.226 ( 3.631 4.662 1.853) 6.193 5.514 ( 0.361 -6.019 -0.704) 6.071 5.514 ( 0.361 6.019 -0.704) 6.071 5.772 ( -0.565 -10.716 -0.394) 10.738 5.772 ( -0.565 10.716 -0.394) 10.738 6.281 ( 2.537 -1.757 1.329) 3.360 6.281 ( 2.537 1.757 1.329) 3.360 6.820 ( 2.033 -2.328 -0.462) 3.125 6.820 ( 2.033 2.328 -0.462) 3.125 6.880 ( 1.454 -7.097 1.431) 7.384 6.880 ( 1.454 7.097 1.431) 7.384 7.205 ( -0.963 -2.014 -1.422) 2.647 7.205 ( -0.963 2.014 -1.422) 2.647 7.381 ( 1.461 -1.735 -0.527) 2.329 7.381 ( 1.461 1.735 -0.527) 2.329 7.667 ( -1.075 -0.702 0.990) 1.622 7.667 ( -1.075 0.702 0.990) 1.622 8.319 ( -0.177 -4.715 1.803) 5.051 8.319 ( -0.177 4.715 1.803) 5.051 8.682 ( 3.615 -2.026 -2.246) 4.714 8.682 ( 3.615 2.026 -2.246) 4.714 8.909 ( -1.749 -3.711 -0.590) 4.144 8.909 ( -1.749 3.711 -0.590) 4.144 9.395 ( -2.980 -6.961 2.584) 8.001 9.395 ( -2.980 6.961 2.584) 8.001 ======================= Grid point 177 (87/88) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -21.532 -9.243 -9.228) 25.184 1.389 ( -21.532 9.243 -9.228) 25.184 1.619 ( -3.827 -6.438 0.104) 7.490 1.619 ( -3.827 6.438 0.104) 7.490 1.692 ( 1.922 -6.070 -5.929) 8.701 1.692 ( 1.922 6.070 -5.929) 8.701 2.117 ( 1.286 -4.252 -4.693) 6.462 2.117 ( 1.286 4.252 -4.693) 6.462 2.706 ( 3.609 -4.995 4.626) 7.706 2.706 ( 3.609 4.995 4.626) 7.706 2.852 ( 0.327 -5.358 4.904) 7.271 2.852 ( 0.327 5.358 4.904) 7.271 3.152 ( -4.158 -6.689 -0.982) 7.937 3.152 ( -4.158 6.689 -0.982) 7.937 3.492 ( -0.975 -4.066 -8.888) 9.822 3.492 ( -0.975 4.066 -8.888) 9.822 3.603 ( -2.845 -2.543 4.288) 5.741 3.603 ( -2.845 2.543 4.288) 5.741 3.788 ( 5.551 -6.404 4.520) 9.605 3.788 ( 5.551 6.404 4.520) 9.605 3.980 ( -1.356 -6.494 -0.290) 6.640 3.980 ( -1.356 6.494 -0.290) 6.640 4.084 ( 1.737 -1.921 4.737) 5.399 4.084 ( 1.737 1.921 4.737) 5.399 4.264 ( -0.075 -1.785 -1.523) 2.347 4.264 ( -0.075 1.785 -1.523) 2.347 4.426 ( 1.695 -1.243 -0.003) 2.102 4.426 ( 1.695 1.243 -0.003) 2.102 4.693 ( -1.372 -4.927 -3.969) 6.474 4.693 ( -1.372 4.927 -3.969) 6.474 4.872 ( 1.514 -7.890 0.748) 8.068 4.872 ( 1.514 7.890 0.748) 8.068 5.012 ( 0.699 -3.324 -2.660) 4.315 5.012 ( 0.699 3.324 -2.660) 4.315 5.269 ( -0.112 -8.201 1.628) 8.362 5.269 ( -0.112 8.201 1.628) 8.362 5.523 ( 0.326 -3.286 -0.236) 3.310 5.523 ( 0.326 3.286 -0.236) 3.310 5.762 ( -0.062 -6.265 -1.016) 6.347 5.762 ( -0.062 6.265 -1.016) 6.347 6.349 ( 3.347 -1.813 1.189) 3.988 6.349 ( 3.347 1.813 1.189) 3.988 6.856 ( 1.116 -2.334 0.199) 2.595 6.856 ( 1.116 2.334 0.199) 2.595 6.927 ( 2.547 -3.439 1.468) 4.524 6.927 ( 2.547 3.439 1.468) 4.524 7.180 ( -1.250 -1.567 -1.896) 2.759 7.180 ( -1.250 1.567 -1.896) 2.759 7.420 ( 2.037 -2.602 -1.118) 3.489 7.420 ( 2.037 2.602 -1.118) 3.489 7.638 ( -1.505 -2.160 1.601) 3.081 7.638 ( -1.505 2.160 1.601) 3.081 8.317 ( -0.019 -5.261 2.480) 5.817 8.317 ( -0.019 5.261 2.480) 5.817 8.764 ( 2.911 -5.051 -5.252) 7.847 8.764 ( 2.911 5.051 -5.252) 7.847 8.877 ( -0.211 -2.489 1.216) 2.778 8.877 ( -0.211 2.489 1.216) 2.778 9.317 ( -3.992 -4.695 3.377) 7.027 9.317 ( -3.992 4.695 3.377) 7.027 ======================= Grid point 179 (88/88) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -12.879 -6.558 -3.482) 14.866 0.974 ( -12.879 6.558 -3.482) 14.866 1.383 ( -7.223 -0.716 1.265) 7.368 1.383 ( -7.223 0.716 1.265) 7.368 1.881 ( 5.010 -6.612 -5.460) 9.931 1.881 ( 5.010 6.612 -5.460) 9.931 2.159 ( 2.439 -2.069 -1.651) 3.600 2.159 ( 2.439 2.069 -1.651) 3.600 2.745 ( 0.245 -2.203 0.601) 2.297 2.745 ( 0.245 2.203 0.601) 2.297 2.904 ( 1.246 -3.928 3.452) 5.376 2.904 ( 1.246 3.928 3.452) 5.376 3.077 ( 0.436 -12.144 2.082) 12.329 3.077 ( 0.436 12.144 2.082) 12.329 3.372 ( -6.724 -1.891 -5.907) 9.148 3.372 ( -6.724 1.891 -5.907) 9.148 3.629 ( 2.615 -2.484 1.476) 3.897 3.629 ( 2.615 2.484 1.476) 3.897 3.853 ( -0.462 -3.535 2.328) 4.258 3.853 ( -0.462 3.535 2.328) 4.258 3.952 ( 0.215 -4.656 0.991) 4.765 3.952 ( 0.215 4.656 0.991) 4.765 4.144 ( 1.990 -3.253 1.475) 4.088 4.144 ( 1.990 3.253 1.475) 4.088 4.289 ( 2.312 -2.784 0.762) 3.698 4.289 ( 2.312 2.784 0.762) 3.698 4.437 ( -1.170 -1.313 -2.292) 2.889 4.437 ( -1.170 1.313 -2.292) 2.889 4.641 ( -1.838 -2.996 -1.453) 3.803 4.641 ( -1.838 2.996 -1.453) 3.803 4.929 ( 3.166 -12.981 0.758) 13.383 4.929 ( 3.166 12.981 0.758) 13.383 5.024 ( -0.506 -8.139 -1.711) 8.332 5.024 ( -0.506 8.139 -1.711) 8.332 5.243 ( -1.291 -10.290 0.717) 10.395 5.243 ( -1.291 10.290 0.717) 10.395 5.524 ( -0.105 -5.044 0.275) 5.052 5.524 ( -0.105 5.044 0.275) 5.052 5.769 ( 0.376 -1.974 -0.534) 2.079 5.769 ( 0.376 1.974 -0.534) 2.079 6.404 ( 1.435 -2.121 0.370) 2.588 6.404 ( 1.435 2.121 0.370) 2.588 6.870 ( 0.285 -2.374 0.245) 2.404 6.870 ( 0.285 2.374 0.245) 2.404 6.971 ( 1.180 -1.592 0.718) 2.107 6.971 ( 1.180 1.592 0.718) 2.107 7.157 ( -0.619 -0.690 -0.979) 1.348 7.157 ( -0.619 0.690 -0.979) 1.348 7.455 ( 1.035 -1.856 -0.765) 2.259 7.455 ( 1.035 1.856 -0.765) 2.259 7.612 ( -0.759 -3.407 0.959) 3.620 7.612 ( -0.759 3.407 0.959) 3.620 8.318 ( 0.032 -5.308 1.219) 5.447 8.318 ( 0.032 5.308 1.219) 5.447 8.776 ( -0.456 -7.393 -2.599) 7.850 8.776 ( -0.456 7.393 -2.599) 7.850 8.915 ( 2.057 -1.135 0.453) 2.393 8.915 ( 2.057 1.135 0.453) 2.393 9.246 ( -2.138 -2.442 1.705) 3.667 9.246 ( -2.138 2.442 1.705) 3.667 =================== 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 3/15120 10.0 107.174 96.991 126.480 0.000 9.821 0.000 3/15120 20.0 27.997 24.149 30.683 0.000 2.749 0.000 3/15120 30.0 12.721 11.344 12.914 0.000 1.195 0.000 3/15120 40.0 7.502 6.896 7.308 0.000 0.699 0.000 3/15120 50.0 5.146 4.839 4.917 0.000 0.481 0.000 3/15120 60.0 3.873 3.710 3.671 0.000 0.363 0.000 3/15120 70.0 3.097 3.012 2.928 0.000 0.290 0.000 3/15120 80.0 2.581 2.542 2.441 0.000 0.241 0.000 3/15120 90.0 2.216 2.206 2.098 0.000 0.206 0.000 3/15120 100.0 1.944 1.953 1.845 0.000 0.180 0.000 3/15120 110.0 1.734 1.756 1.649 0.000 0.159 0.000 3/15120 120.0 1.566 1.597 1.493 0.000 0.143 0.000 3/15120 130.0 1.430 1.466 1.365 0.000 0.130 0.000 3/15120 140.0 1.317 1.357 1.259 0.000 0.118 0.000 3/15120 150.0 1.220 1.263 1.169 0.000 0.109 0.000 3/15120 160.0 1.138 1.182 1.091 0.000 0.101 0.000 3/15120 170.0 1.066 1.110 1.024 0.000 0.094 0.000 3/15120 180.0 1.003 1.048 0.964 0.000 0.088 0.000 3/15120 190.0 0.948 0.992 0.911 0.000 0.083 0.000 3/15120 200.0 0.898 0.942 0.864 0.000 0.078 0.000 3/15120 210.0 0.854 0.897 0.822 0.000 0.074 0.000 3/15120 220.0 0.813 0.856 0.784 0.000 0.070 0.000 3/15120 230.0 0.777 0.819 0.749 0.000 0.067 0.000 3/15120 240.0 0.743 0.784 0.717 0.000 0.064 0.000 3/15120 250.0 0.713 0.753 0.688 0.000 0.061 0.000 3/15120 260.0 0.685 0.724 0.661 0.000 0.059 0.000 3/15120 270.0 0.659 0.697 0.636 0.000 0.056 0.000 3/15120 280.0 0.635 0.673 0.613 0.000 0.054 0.000 3/15120 290.0 0.613 0.649 0.592 0.000 0.052 0.000 3/15120 300.0 0.592 0.628 0.572 0.000 0.050 0.000 3/15120 310.0 0.572 0.608 0.553 0.000 0.048 0.000 3/15120 320.0 0.554 0.589 0.536 0.000 0.047 0.000 3/15120 330.0 0.537 0.571 0.520 0.000 0.045 0.000 3/15120 340.0 0.521 0.554 0.504 0.000 0.044 0.000 3/15120 350.0 0.506 0.538 0.490 0.000 0.043 0.000 3/15120 360.0 0.492 0.523 0.476 0.000 0.041 0.000 3/15120 370.0 0.479 0.509 0.463 0.000 0.040 0.000 3/15120 380.0 0.466 0.496 0.451 0.000 0.039 0.000 3/15120 390.0 0.454 0.483 0.439 0.000 0.038 0.000 3/15120 400.0 0.442 0.471 0.428 0.000 0.037 0.000 3/15120 410.0 0.431 0.460 0.418 0.000 0.036 0.000 3/15120 420.0 0.421 0.449 0.408 0.000 0.035 0.000 3/15120 430.0 0.411 0.439 0.398 0.000 0.034 0.000 3/15120 440.0 0.402 0.429 0.389 0.000 0.034 0.000 3/15120 450.0 0.393 0.419 0.381 0.000 0.033 0.000 3/15120 460.0 0.384 0.410 0.372 0.000 0.032 0.000 3/15120 470.0 0.376 0.401 0.364 0.000 0.031 0.000 3/15120 480.0 0.368 0.393 0.357 0.000 0.031 0.000 3/15120 490.0 0.361 0.385 0.349 0.000 0.030 0.000 3/15120 500.0 0.353 0.377 0.342 0.000 0.029 0.000 3/15120 510.0 0.346 0.370 0.336 0.000 0.029 0.000 3/15120 520.0 0.340 0.363 0.329 0.000 0.028 0.000 3/15120 530.0 0.333 0.356 0.323 0.000 0.028 0.000 3/15120 540.0 0.327 0.349 0.317 0.000 0.027 0.000 3/15120 550.0 0.321 0.343 0.311 0.000 0.027 0.000 3/15120 560.0 0.315 0.337 0.306 0.000 0.026 0.000 3/15120 570.0 0.310 0.331 0.300 0.000 0.026 0.000 3/15120 580.0 0.304 0.325 0.295 0.000 0.025 0.000 3/15120 590.0 0.299 0.320 0.290 0.000 0.025 0.000 3/15120 600.0 0.294 0.315 0.285 0.000 0.024 0.000 3/15120 610.0 0.289 0.309 0.281 0.000 0.024 0.000 3/15120 620.0 0.285 0.304 0.276 0.000 0.024 0.000 3/15120 630.0 0.280 0.300 0.272 0.000 0.023 0.000 3/15120 640.0 0.276 0.295 0.267 0.000 0.023 0.000 3/15120 650.0 0.272 0.290 0.263 0.000 0.022 0.000 3/15120 660.0 0.267 0.286 0.259 0.000 0.022 0.000 3/15120 670.0 0.263 0.282 0.255 0.000 0.022 0.000 3/15120 680.0 0.260 0.278 0.252 0.000 0.021 0.000 3/15120 690.0 0.256 0.274 0.248 0.000 0.021 0.000 3/15120 700.0 0.252 0.270 0.245 0.000 0.021 0.000 3/15120 710.0 0.249 0.266 0.241 0.000 0.021 0.000 3/15120 720.0 0.245 0.262 0.238 0.000 0.020 0.000 3/15120 730.0 0.242 0.259 0.234 0.000 0.020 0.000 3/15120 740.0 0.238 0.255 0.231 0.000 0.020 0.000 3/15120 750.0 0.235 0.252 0.228 0.000 0.019 0.000 3/15120 760.0 0.232 0.248 0.225 0.000 0.019 0.000 3/15120 770.0 0.229 0.245 0.222 0.000 0.019 0.000 3/15120 780.0 0.226 0.242 0.219 0.000 0.019 0.000 3/15120 790.0 0.223 0.239 0.217 0.000 0.018 0.000 3/15120 800.0 0.221 0.236 0.214 0.000 0.018 0.000 3/15120 810.0 0.218 0.233 0.211 0.000 0.018 0.000 3/15120 820.0 0.215 0.230 0.209 0.000 0.018 0.000 3/15120 830.0 0.213 0.228 0.206 0.000 0.018 0.000 3/15120 840.0 0.210 0.225 0.204 0.000 0.017 0.000 3/15120 850.0 0.208 0.222 0.201 0.000 0.017 0.000 3/15120 860.0 0.205 0.220 0.199 0.000 0.017 0.000 3/15120 870.0 0.203 0.217 0.197 0.000 0.017 0.000 3/15120 880.0 0.200 0.215 0.195 0.000 0.017 0.000 3/15120 890.0 0.198 0.212 0.192 0.000 0.016 0.000 3/15120 900.0 0.196 0.210 0.190 0.000 0.016 0.000 3/15120 910.0 0.194 0.208 0.188 0.000 0.016 0.000 3/15120 920.0 0.192 0.205 0.186 0.000 0.016 0.000 3/15120 930.0 0.190 0.203 0.184 0.000 0.016 0.000 3/15120 940.0 0.188 0.201 0.182 0.000 0.015 0.000 3/15120 950.0 0.186 0.199 0.180 0.000 0.015 0.000 3/15120 960.0 0.184 0.197 0.178 0.000 0.015 0.000 3/15120 970.0 0.182 0.195 0.176 0.000 0.015 0.000 3/15120 980.0 0.180 0.193 0.175 0.000 0.015 0.000 3/15120 990.0 0.178 0.191 0.173 0.000 0.015 0.000 3/15120 1000.0 0.176 0.189 0.171 0.000 0.015 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m766.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:04:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|