----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.964944343615770 0.000000000000000 0.000000000000000 b 0.000000000000000 3.970885920000000 0.000000000000000 c -1.978938665588476 0.000000000000000 5.143123028785523 Atomic positions (fractional): *1 K 0.36064831394297 0.24329884033437 0.72157756615911 39.098 2 K 0.63935168605703 0.74329884033437 0.27842243384089 39.098 *3 H 0.02821508334868 0.09092503185071 0.05628717940794 1.008 4 H 0.97178491665132 0.59092503185071 0.94371282059206 1.008 *5 O 0.09838956648917 0.26635313781493 0.19588540542400 15.999 6 O 0.90161043351083 0.76635313781493 0.80411459457600 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.964944343615770 0.000000000000000 0.000000000000000 b 0.000000000000000 3.970885920000000 0.000000000000000 c -1.978938665588476 0.000000000000000 5.143123028785523 Atomic positions (fractional): *1 K 0.36064831394297 0.24329884033437 0.72157756615911 39.098 > 1 2 K 0.63935168605703 0.74329884033437 0.27842243384089 39.098 > 2 *3 H 0.02821508334868 0.09092503185071 0.05628717940794 1.008 > 3 4 H 0.97178491665132 0.59092503185071 0.94371282059206 1.008 > 4 *5 O 0.09838956648917 0.26635313781493 0.19588540542400 15.999 > 5 6 O 0.90161043351083 0.76635313781493 0.80411459457600 15.999 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.894833030847311 0.000000000000000 0.000000000000000 b 0.000000000000000 11.912657760000000 0.000000000000000 c -3.957877331176952 0.000000000000000 10.286246057571047 Atomic positions (fractional): *1 K 0.12021610464766 0.08109961344479 0.36078878307955 39.098 > 1 2 K 0.45354943798099 0.08109961344479 0.36078878307955 39.098 > 1 3 K 0.78688277131432 0.08109961344479 0.36078878307955 39.098 > 1 4 K 0.12021610464766 0.41443294677812 0.36078878307955 39.098 > 1 5 K 0.45354943798099 0.41443294677812 0.36078878307955 39.098 > 1 6 K 0.78688277131432 0.41443294677812 0.36078878307955 39.098 > 1 7 K 0.12021610464766 0.74776628011146 0.36078878307955 39.098 > 1 8 K 0.45354943798099 0.74776628011146 0.36078878307955 39.098 > 1 9 K 0.78688277131432 0.74776628011146 0.36078878307955 39.098 > 1 10 K 0.12021610464766 0.08109961344479 0.86078878307955 39.098 > 1 11 K 0.45354943798099 0.08109961344479 0.86078878307955 39.098 > 1 12 K 0.78688277131432 0.08109961344479 0.86078878307955 39.098 > 1 13 K 0.12021610464766 0.41443294677812 0.86078878307955 39.098 > 1 14 K 0.45354943798099 0.41443294677812 0.86078878307955 39.098 > 1 15 K 0.78688277131432 0.41443294677812 0.86078878307955 39.098 > 1 16 K 0.12021610464766 0.74776628011146 0.86078878307955 39.098 > 1 17 K 0.45354943798099 0.74776628011146 0.86078878307955 39.098 > 1 18 K 0.78688277131432 0.74776628011146 0.86078878307955 39.098 > 1 19 K 0.21311722868568 0.24776628011146 0.13921121692045 39.098 > 2 20 K 0.54645056201901 0.24776628011146 0.13921121692045 39.098 > 2 21 K 0.87978389535234 0.24776628011146 0.13921121692045 39.098 > 2 22 K 0.21311722868568 0.58109961344479 0.13921121692045 39.098 > 2 23 K 0.54645056201901 0.58109961344479 0.13921121692045 39.098 > 2 24 K 0.87978389535234 0.58109961344479 0.13921121692045 39.098 > 2 25 K 0.21311722868568 0.91443294677812 0.13921121692045 39.098 > 2 26 K 0.54645056201901 0.91443294677812 0.13921121692045 39.098 > 2 27 K 0.87978389535234 0.91443294677812 0.13921121692045 39.098 > 2 28 K 0.21311722868568 0.24776628011146 0.63921121692045 39.098 > 2 29 K 0.54645056201901 0.24776628011146 0.63921121692045 39.098 > 2 30 K 0.87978389535234 0.24776628011146 0.63921121692045 39.098 > 2 31 K 0.21311722868568 0.58109961344479 0.63921121692045 39.098 > 2 32 K 0.54645056201901 0.58109961344479 0.63921121692045 39.098 > 2 33 K 0.87978389535234 0.58109961344479 0.63921121692045 39.098 > 2 34 K 0.21311722868568 0.91443294677812 0.63921121692045 39.098 > 2 35 K 0.54645056201901 0.91443294677812 0.63921121692045 39.098 > 2 36 K 0.87978389535234 0.91443294677812 0.63921121692045 39.098 > 2 *37 H 0.00940502778289 0.03030834395024 0.02814358970397 1.008 > 3 38 H 0.34273836111623 0.03030834395024 0.02814358970397 1.008 > 3 39 H 0.67607169444956 0.03030834395024 0.02814358970397 1.008 > 3 40 H 0.00940502778289 0.36364167728357 0.02814358970397 1.008 > 3 41 H 0.34273836111623 0.36364167728357 0.02814358970397 1.008 > 3 42 H 0.67607169444956 0.36364167728357 0.02814358970397 1.008 > 3 43 H 0.00940502778289 0.69697501061690 0.02814358970397 1.008 > 3 44 H 0.34273836111623 0.69697501061690 0.02814358970397 1.008 > 3 45 H 0.67607169444956 0.69697501061690 0.02814358970397 1.008 > 3 46 H 0.00940502778289 0.03030834395024 0.52814358970397 1.008 > 3 47 H 0.34273836111623 0.03030834395024 0.52814358970397 1.008 > 3 48 H 0.67607169444956 0.03030834395024 0.52814358970397 1.008 > 3 49 H 0.00940502778289 0.36364167728357 0.52814358970397 1.008 > 3 50 H 0.34273836111623 0.36364167728357 0.52814358970397 1.008 > 3 51 H 0.67607169444956 0.36364167728357 0.52814358970397 1.008 > 3 52 H 0.00940502778289 0.69697501061690 0.52814358970397 1.008 > 3 53 H 0.34273836111623 0.69697501061690 0.52814358970397 1.008 > 3 54 H 0.67607169444956 0.69697501061690 0.52814358970397 1.008 > 3 55 H 0.32392830555044 0.19697501061690 0.47185641029603 1.008 > 4 56 H 0.65726163888377 0.19697501061690 0.47185641029603 1.008 > 4 57 H 0.99059497221711 0.19697501061690 0.47185641029603 1.008 > 4 58 H 0.32392830555044 0.53030834395024 0.47185641029603 1.008 > 4 59 H 0.65726163888377 0.53030834395024 0.47185641029603 1.008 > 4 60 H 0.99059497221711 0.53030834395024 0.47185641029603 1.008 > 4 61 H 0.32392830555044 0.86364167728357 0.47185641029603 1.008 > 4 62 H 0.65726163888377 0.86364167728357 0.47185641029603 1.008 > 4 63 H 0.99059497221711 0.86364167728357 0.47185641029603 1.008 > 4 64 H 0.32392830555044 0.19697501061690 0.97185641029603 1.008 > 4 65 H 0.65726163888377 0.19697501061690 0.97185641029603 1.008 > 4 66 H 0.99059497221711 0.19697501061690 0.97185641029603 1.008 > 4 67 H 0.32392830555044 0.53030834395024 0.97185641029603 1.008 > 4 68 H 0.65726163888377 0.53030834395024 0.97185641029603 1.008 > 4 69 H 0.99059497221711 0.53030834395024 0.97185641029603 1.008 > 4 70 H 0.32392830555044 0.86364167728357 0.97185641029603 1.008 > 4 71 H 0.65726163888377 0.86364167728357 0.97185641029603 1.008 > 4 72 H 0.99059497221711 0.86364167728357 0.97185641029603 1.008 > 4 *73 O 0.03279652216306 0.08878437927164 0.09794270271200 15.999 > 5 74 O 0.36612985549639 0.08878437927164 0.09794270271200 15.999 > 5 75 O 0.69946318882972 0.08878437927164 0.09794270271200 15.999 > 5 76 O 0.03279652216306 0.42211771260498 0.09794270271200 15.999 > 5 77 O 0.36612985549639 0.42211771260498 0.09794270271200 15.999 > 5 78 O 0.69946318882972 0.42211771260498 0.09794270271200 15.999 > 5 79 O 0.03279652216306 0.75545104593831 0.09794270271200 15.999 > 5 80 O 0.36612985549639 0.75545104593831 0.09794270271200 15.999 > 5 81 O 0.69946318882972 0.75545104593831 0.09794270271200 15.999 > 5 82 O 0.03279652216306 0.08878437927164 0.59794270271200 15.999 > 5 83 O 0.36612985549639 0.08878437927164 0.59794270271200 15.999 > 5 84 O 0.69946318882972 0.08878437927164 0.59794270271200 15.999 > 5 85 O 0.03279652216306 0.42211771260498 0.59794270271200 15.999 > 5 86 O 0.36612985549639 0.42211771260498 0.59794270271200 15.999 > 5 87 O 0.69946318882972 0.42211771260498 0.59794270271200 15.999 > 5 88 O 0.03279652216306 0.75545104593831 0.59794270271200 15.999 > 5 89 O 0.36612985549639 0.75545104593831 0.59794270271200 15.999 > 5 90 O 0.69946318882972 0.75545104593831 0.59794270271200 15.999 > 5 91 O 0.30053681117028 0.25545104593831 0.40205729728800 15.999 > 6 92 O 0.63387014450361 0.25545104593831 0.40205729728800 15.999 > 6 93 O 0.96720347783694 0.25545104593831 0.40205729728800 15.999 > 6 94 O 0.30053681117028 0.58878437927164 0.40205729728800 15.999 > 6 95 O 0.63387014450361 0.58878437927164 0.40205729728800 15.999 > 6 96 O 0.96720347783694 0.58878437927164 0.40205729728800 15.999 > 6 97 O 0.30053681117028 0.92211771260498 0.40205729728800 15.999 > 6 98 O 0.63387014450361 0.92211771260498 0.40205729728800 15.999 > 6 99 O 0.96720347783694 0.92211771260498 0.40205729728800 15.999 > 6 100 O 0.30053681117028 0.25545104593831 0.90205729728800 15.999 > 6 101 O 0.63387014450361 0.25545104593831 0.90205729728800 15.999 > 6 102 O 0.96720347783694 0.25545104593831 0.90205729728800 15.999 > 6 103 O 0.30053681117028 0.58878437927164 0.90205729728800 15.999 > 6 104 O 0.63387014450361 0.58878437927164 0.90205729728800 15.999 > 6 105 O 0.96720347783694 0.58878437927164 0.90205729728800 15.999 > 6 106 O 0.30053681117028 0.92211771260498 0.90205729728800 15.999 > 6 107 O 0.63387014450361 0.92211771260498 0.90205729728800 15.999 > 6 108 O 0.96720347783694 0.92211771260498 0.90205729728800 15.999 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5293360 0.0000000 -0.0000874 0.0000000 2.6018817 0.0000000 -0.0000876 0.0000000 2.5547490 -------------------------- Born effective charges -------------------------- 1 K 1.1617828 -0.0001802 -0.0000648 -0.0002157 1.1154425 -0.0043426 -0.0001530 -0.0301488 1.1492670 2 K 1.1617828 0.0001802 -0.0000648 0.0002157 1.1154425 0.0043426 -0.0001530 0.0301488 1.1492670 3 H 0.1968212 0.0009558 0.0007342 0.0011363 0.6835143 0.4145752 0.0008637 0.3684704 0.5079374 4 H 0.1968212 -0.0009558 0.0007342 -0.0011363 0.6835143 -0.4145752 0.0008637 -0.3684704 0.5079374 5 O -1.3586040 -0.0000417 -0.0006693 -0.0001584 -1.7989569 -0.0112359 -0.0007107 -0.0100498 -1.6572045 6 O -1.3586040 0.0000417 -0.0006693 0.0001584 -1.7989569 0.0112359 -0.0007107 0.0100498 -1.6572045 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 1494 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (174, 171), data: True |-- (174, 171), data: True |-- (324, 319), data: True |-- (324, 318), data: True |-- (324, 318), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 2.090 Solver_block: 200 / 400 - Time: 2.060 Solver_block: 300 / 400 - Time: 2.062 Solver_block: 400 / 400 - Time: 2.074 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.323 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 1494 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (174, 171), data: True |-- (174, 171), data: True |-- (324, 319), data: True |-- (324, 318), data: True |-- (324, 318), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 20:37:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:37:29]------------------------- 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): [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.964944343615770 0.000000000000000 0.000000000000000 b 0.000000000000000 3.970885920000000 0.000000000000000 c -1.978938665588476 0.000000000000000 5.143123028785523 Atomic positions (fractional): 1 K 0.36064831394297 0.24329884033437 0.72157756615911 39.098 2 K 0.63935168605703 0.74329884033437 0.27842243384089 39.098 3 H 0.02821508334868 0.09092503185071 0.05628717940794 1.008 4 H 0.97178491665132 0.59092503185071 0.94371282059206 1.008 5 O 0.09838956648917 0.26635313781493 0.19588540542400 15.999 6 O 0.90161043351083 0.76635313781493 0.80411459457600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894833030847311 0.000000000000000 0.000000000000000 b 0.000000000000000 11.912657760000000 0.000000000000000 c -3.957877331176952 0.000000000000000 10.286246057571047 Atomic positions (fractional): 1 K 0.12021610464766 0.08109961344479 0.36078878307955 39.098 > 1 2 K 0.45354943798099 0.08109961344479 0.36078878307955 39.098 > 1 3 K 0.78688277131432 0.08109961344479 0.36078878307955 39.098 > 1 4 K 0.12021610464766 0.41443294677812 0.36078878307955 39.098 > 1 5 K 0.45354943798099 0.41443294677812 0.36078878307955 39.098 > 1 6 K 0.78688277131432 0.41443294677812 0.36078878307955 39.098 > 1 7 K 0.12021610464766 0.74776628011146 0.36078878307955 39.098 > 1 8 K 0.45354943798099 0.74776628011146 0.36078878307955 39.098 > 1 9 K 0.78688277131432 0.74776628011146 0.36078878307955 39.098 > 1 10 K 0.12021610464766 0.08109961344479 0.86078878307955 39.098 > 1 11 K 0.45354943798099 0.08109961344479 0.86078878307955 39.098 > 1 12 K 0.78688277131432 0.08109961344479 0.86078878307955 39.098 > 1 13 K 0.12021610464766 0.41443294677812 0.86078878307955 39.098 > 1 14 K 0.45354943798099 0.41443294677812 0.86078878307955 39.098 > 1 15 K 0.78688277131432 0.41443294677812 0.86078878307955 39.098 > 1 16 K 0.12021610464766 0.74776628011146 0.86078878307955 39.098 > 1 17 K 0.45354943798099 0.74776628011146 0.86078878307955 39.098 > 1 18 K 0.78688277131432 0.74776628011146 0.86078878307955 39.098 > 1 19 K 0.21311722868568 0.24776628011146 0.13921121692045 39.098 > 19 20 K 0.54645056201901 0.24776628011146 0.13921121692045 39.098 > 19 21 K 0.87978389535234 0.24776628011146 0.13921121692045 39.098 > 19 22 K 0.21311722868568 0.58109961344479 0.13921121692045 39.098 > 19 23 K 0.54645056201901 0.58109961344479 0.13921121692045 39.098 > 19 24 K 0.87978389535234 0.58109961344479 0.13921121692045 39.098 > 19 25 K 0.21311722868568 0.91443294677812 0.13921121692045 39.098 > 19 26 K 0.54645056201901 0.91443294677812 0.13921121692045 39.098 > 19 27 K 0.87978389535234 0.91443294677812 0.13921121692045 39.098 > 19 28 K 0.21311722868568 0.24776628011146 0.63921121692045 39.098 > 19 29 K 0.54645056201901 0.24776628011146 0.63921121692045 39.098 > 19 30 K 0.87978389535234 0.24776628011146 0.63921121692045 39.098 > 19 31 K 0.21311722868568 0.58109961344479 0.63921121692045 39.098 > 19 32 K 0.54645056201901 0.58109961344479 0.63921121692045 39.098 > 19 33 K 0.87978389535234 0.58109961344479 0.63921121692045 39.098 > 19 34 K 0.21311722868568 0.91443294677812 0.63921121692045 39.098 > 19 35 K 0.54645056201901 0.91443294677812 0.63921121692045 39.098 > 19 36 K 0.87978389535234 0.91443294677812 0.63921121692045 39.098 > 19 37 H 0.00940502778289 0.03030834395024 0.02814358970397 1.008 > 37 38 H 0.34273836111623 0.03030834395024 0.02814358970397 1.008 > 37 39 H 0.67607169444956 0.03030834395024 0.02814358970397 1.008 > 37 40 H 0.00940502778289 0.36364167728357 0.02814358970397 1.008 > 37 41 H 0.34273836111623 0.36364167728357 0.02814358970397 1.008 > 37 42 H 0.67607169444956 0.36364167728357 0.02814358970397 1.008 > 37 43 H 0.00940502778289 0.69697501061690 0.02814358970397 1.008 > 37 44 H 0.34273836111623 0.69697501061690 0.02814358970397 1.008 > 37 45 H 0.67607169444956 0.69697501061690 0.02814358970397 1.008 > 37 46 H 0.00940502778289 0.03030834395024 0.52814358970397 1.008 > 37 47 H 0.34273836111623 0.03030834395024 0.52814358970397 1.008 > 37 48 H 0.67607169444956 0.03030834395024 0.52814358970397 1.008 > 37 49 H 0.00940502778289 0.36364167728357 0.52814358970397 1.008 > 37 50 H 0.34273836111623 0.36364167728357 0.52814358970397 1.008 > 37 51 H 0.67607169444956 0.36364167728357 0.52814358970397 1.008 > 37 52 H 0.00940502778289 0.69697501061690 0.52814358970397 1.008 > 37 53 H 0.34273836111623 0.69697501061690 0.52814358970397 1.008 > 37 54 H 0.67607169444956 0.69697501061690 0.52814358970397 1.008 > 37 55 H 0.32392830555044 0.19697501061690 0.47185641029603 1.008 > 55 56 H 0.65726163888377 0.19697501061690 0.47185641029603 1.008 > 55 57 H 0.99059497221711 0.19697501061690 0.47185641029603 1.008 > 55 58 H 0.32392830555044 0.53030834395024 0.47185641029603 1.008 > 55 59 H 0.65726163888377 0.53030834395024 0.47185641029603 1.008 > 55 60 H 0.99059497221711 0.53030834395024 0.47185641029603 1.008 > 55 61 H 0.32392830555044 0.86364167728357 0.47185641029603 1.008 > 55 62 H 0.65726163888377 0.86364167728357 0.47185641029603 1.008 > 55 63 H 0.99059497221711 0.86364167728357 0.47185641029603 1.008 > 55 64 H 0.32392830555044 0.19697501061690 0.97185641029603 1.008 > 55 65 H 0.65726163888377 0.19697501061690 0.97185641029603 1.008 > 55 66 H 0.99059497221711 0.19697501061690 0.97185641029603 1.008 > 55 67 H 0.32392830555044 0.53030834395024 0.97185641029603 1.008 > 55 68 H 0.65726163888377 0.53030834395024 0.97185641029603 1.008 > 55 69 H 0.99059497221711 0.53030834395024 0.97185641029603 1.008 > 55 70 H 0.32392830555044 0.86364167728357 0.97185641029603 1.008 > 55 71 H 0.65726163888377 0.86364167728357 0.97185641029603 1.008 > 55 72 H 0.99059497221711 0.86364167728357 0.97185641029603 1.008 > 55 73 O 0.03279652216306 0.08878437927164 0.09794270271200 15.999 > 73 74 O 0.36612985549639 0.08878437927164 0.09794270271200 15.999 > 73 75 O 0.69946318882972 0.08878437927164 0.09794270271200 15.999 > 73 76 O 0.03279652216306 0.42211771260498 0.09794270271200 15.999 > 73 77 O 0.36612985549639 0.42211771260498 0.09794270271200 15.999 > 73 78 O 0.69946318882972 0.42211771260498 0.09794270271200 15.999 > 73 79 O 0.03279652216306 0.75545104593831 0.09794270271200 15.999 > 73 80 O 0.36612985549639 0.75545104593831 0.09794270271200 15.999 > 73 81 O 0.69946318882972 0.75545104593831 0.09794270271200 15.999 > 73 82 O 0.03279652216306 0.08878437927164 0.59794270271200 15.999 > 73 83 O 0.36612985549639 0.08878437927164 0.59794270271200 15.999 > 73 84 O 0.69946318882972 0.08878437927164 0.59794270271200 15.999 > 73 85 O 0.03279652216306 0.42211771260498 0.59794270271200 15.999 > 73 86 O 0.36612985549639 0.42211771260498 0.59794270271200 15.999 > 73 87 O 0.69946318882972 0.42211771260498 0.59794270271200 15.999 > 73 88 O 0.03279652216306 0.75545104593831 0.59794270271200 15.999 > 73 89 O 0.36612985549639 0.75545104593831 0.59794270271200 15.999 > 73 90 O 0.69946318882972 0.75545104593831 0.59794270271200 15.999 > 73 91 O 0.30053681117028 0.25545104593831 0.40205729728800 15.999 > 91 92 O 0.63387014450361 0.25545104593831 0.40205729728800 15.999 > 91 93 O 0.96720347783694 0.25545104593831 0.40205729728800 15.999 > 91 94 O 0.30053681117028 0.58878437927164 0.40205729728800 15.999 > 91 95 O 0.63387014450361 0.58878437927164 0.40205729728800 15.999 > 91 96 O 0.96720347783694 0.58878437927164 0.40205729728800 15.999 > 91 97 O 0.30053681117028 0.92211771260498 0.40205729728800 15.999 > 91 98 O 0.63387014450361 0.92211771260498 0.40205729728800 15.999 > 91 99 O 0.96720347783694 0.92211771260498 0.40205729728800 15.999 > 91 100 O 0.30053681117028 0.25545104593831 0.90205729728800 15.999 > 91 101 O 0.63387014450361 0.25545104593831 0.90205729728800 15.999 > 91 102 O 0.96720347783694 0.25545104593831 0.90205729728800 15.999 > 91 103 O 0.30053681117028 0.58878437927164 0.90205729728800 15.999 > 91 104 O 0.63387014450361 0.58878437927164 0.90205729728800 15.999 > 91 105 O 0.96720347783694 0.58878437927164 0.90205729728800 15.999 > 91 106 O 0.30053681117028 0.92211771260498 0.90205729728800 15.999 > 91 107 O 0.63387014450361 0.92211771260498 0.90205729728800 15.999 > 91 108 O 0.96720347783694 0.92211771260498 0.90205729728800 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5293360 0.0000000 -0.0000874 0.0000000 2.6018817 0.0000000 -0.0000876 0.0000000 2.5547490 -------------------------- Born effective charges -------------------------- 1 K 1.1617828 -0.0001802 -0.0000648 -0.0002157 1.1154425 -0.0043426 -0.0001530 -0.0301488 1.1492670 2 K 1.1617828 0.0001802 -0.0000648 0.0002157 1.1154425 0.0043426 -0.0001530 0.0301488 1.1492670 3 H 0.1968212 0.0009558 0.0007342 0.0011363 0.6835143 0.4145752 0.0008637 0.3684704 0.5079374 4 H 0.1968212 -0.0009558 0.0007342 -0.0011363 0.6835143 -0.4145752 0.0008637 -0.3684704 0.5079374 5 O -1.3586040 -0.0000417 -0.0006693 -0.0001584 -1.7989569 -0.0112359 -0.0007107 -0.0100498 -1.6572045 6 O -1.3586040 0.0000417 -0.0006693 0.0001584 -1.7989569 0.0112359 -0.0007107 0.0100498 -1.6572045 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 37, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:37:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:37:41]------------------------- 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): [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.964944343615770 0.000000000000000 0.000000000000000 b 0.000000000000000 3.970885920000000 0.000000000000000 c -1.978938665588476 0.000000000000000 5.143123028785523 Atomic positions (fractional): 1 K 0.36064831394297 0.24329884033437 0.72157756615911 39.098 2 K 0.63935168605703 0.74329884033437 0.27842243384089 39.098 3 H 0.02821508334868 0.09092503185071 0.05628717940794 1.008 4 H 0.97178491665132 0.59092503185071 0.94371282059206 1.008 5 O 0.09838956648917 0.26635313781493 0.19588540542400 15.999 6 O 0.90161043351083 0.76635313781493 0.80411459457600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894833030847311 0.000000000000000 0.000000000000000 b 0.000000000000000 11.912657760000000 0.000000000000000 c -3.957877331176952 0.000000000000000 10.286246057571047 Atomic positions (fractional): 1 K 0.12021610464766 0.08109961344479 0.36078878307955 39.098 > 1 2 K 0.45354943798099 0.08109961344479 0.36078878307955 39.098 > 1 3 K 0.78688277131432 0.08109961344479 0.36078878307955 39.098 > 1 4 K 0.12021610464766 0.41443294677812 0.36078878307955 39.098 > 1 5 K 0.45354943798099 0.41443294677812 0.36078878307955 39.098 > 1 6 K 0.78688277131432 0.41443294677812 0.36078878307955 39.098 > 1 7 K 0.12021610464766 0.74776628011146 0.36078878307955 39.098 > 1 8 K 0.45354943798099 0.74776628011146 0.36078878307955 39.098 > 1 9 K 0.78688277131432 0.74776628011146 0.36078878307955 39.098 > 1 10 K 0.12021610464766 0.08109961344479 0.86078878307955 39.098 > 1 11 K 0.45354943798099 0.08109961344479 0.86078878307955 39.098 > 1 12 K 0.78688277131432 0.08109961344479 0.86078878307955 39.098 > 1 13 K 0.12021610464766 0.41443294677812 0.86078878307955 39.098 > 1 14 K 0.45354943798099 0.41443294677812 0.86078878307955 39.098 > 1 15 K 0.78688277131432 0.41443294677812 0.86078878307955 39.098 > 1 16 K 0.12021610464766 0.74776628011146 0.86078878307955 39.098 > 1 17 K 0.45354943798099 0.74776628011146 0.86078878307955 39.098 > 1 18 K 0.78688277131432 0.74776628011146 0.86078878307955 39.098 > 1 19 K 0.21311722868568 0.24776628011146 0.13921121692045 39.098 > 19 20 K 0.54645056201901 0.24776628011146 0.13921121692045 39.098 > 19 21 K 0.87978389535234 0.24776628011146 0.13921121692045 39.098 > 19 22 K 0.21311722868568 0.58109961344479 0.13921121692045 39.098 > 19 23 K 0.54645056201901 0.58109961344479 0.13921121692045 39.098 > 19 24 K 0.87978389535234 0.58109961344479 0.13921121692045 39.098 > 19 25 K 0.21311722868568 0.91443294677812 0.13921121692045 39.098 > 19 26 K 0.54645056201901 0.91443294677812 0.13921121692045 39.098 > 19 27 K 0.87978389535234 0.91443294677812 0.13921121692045 39.098 > 19 28 K 0.21311722868568 0.24776628011146 0.63921121692045 39.098 > 19 29 K 0.54645056201901 0.24776628011146 0.63921121692045 39.098 > 19 30 K 0.87978389535234 0.24776628011146 0.63921121692045 39.098 > 19 31 K 0.21311722868568 0.58109961344479 0.63921121692045 39.098 > 19 32 K 0.54645056201901 0.58109961344479 0.63921121692045 39.098 > 19 33 K 0.87978389535234 0.58109961344479 0.63921121692045 39.098 > 19 34 K 0.21311722868568 0.91443294677812 0.63921121692045 39.098 > 19 35 K 0.54645056201901 0.91443294677812 0.63921121692045 39.098 > 19 36 K 0.87978389535234 0.91443294677812 0.63921121692045 39.098 > 19 37 H 0.00940502778289 0.03030834395024 0.02814358970397 1.008 > 37 38 H 0.34273836111623 0.03030834395024 0.02814358970397 1.008 > 37 39 H 0.67607169444956 0.03030834395024 0.02814358970397 1.008 > 37 40 H 0.00940502778289 0.36364167728357 0.02814358970397 1.008 > 37 41 H 0.34273836111623 0.36364167728357 0.02814358970397 1.008 > 37 42 H 0.67607169444956 0.36364167728357 0.02814358970397 1.008 > 37 43 H 0.00940502778289 0.69697501061690 0.02814358970397 1.008 > 37 44 H 0.34273836111623 0.69697501061690 0.02814358970397 1.008 > 37 45 H 0.67607169444956 0.69697501061690 0.02814358970397 1.008 > 37 46 H 0.00940502778289 0.03030834395024 0.52814358970397 1.008 > 37 47 H 0.34273836111623 0.03030834395024 0.52814358970397 1.008 > 37 48 H 0.67607169444956 0.03030834395024 0.52814358970397 1.008 > 37 49 H 0.00940502778289 0.36364167728357 0.52814358970397 1.008 > 37 50 H 0.34273836111623 0.36364167728357 0.52814358970397 1.008 > 37 51 H 0.67607169444956 0.36364167728357 0.52814358970397 1.008 > 37 52 H 0.00940502778289 0.69697501061690 0.52814358970397 1.008 > 37 53 H 0.34273836111623 0.69697501061690 0.52814358970397 1.008 > 37 54 H 0.67607169444956 0.69697501061690 0.52814358970397 1.008 > 37 55 H 0.32392830555044 0.19697501061690 0.47185641029603 1.008 > 55 56 H 0.65726163888377 0.19697501061690 0.47185641029603 1.008 > 55 57 H 0.99059497221711 0.19697501061690 0.47185641029603 1.008 > 55 58 H 0.32392830555044 0.53030834395024 0.47185641029603 1.008 > 55 59 H 0.65726163888377 0.53030834395024 0.47185641029603 1.008 > 55 60 H 0.99059497221711 0.53030834395024 0.47185641029603 1.008 > 55 61 H 0.32392830555044 0.86364167728357 0.47185641029603 1.008 > 55 62 H 0.65726163888377 0.86364167728357 0.47185641029603 1.008 > 55 63 H 0.99059497221711 0.86364167728357 0.47185641029603 1.008 > 55 64 H 0.32392830555044 0.19697501061690 0.97185641029603 1.008 > 55 65 H 0.65726163888377 0.19697501061690 0.97185641029603 1.008 > 55 66 H 0.99059497221711 0.19697501061690 0.97185641029603 1.008 > 55 67 H 0.32392830555044 0.53030834395024 0.97185641029603 1.008 > 55 68 H 0.65726163888377 0.53030834395024 0.97185641029603 1.008 > 55 69 H 0.99059497221711 0.53030834395024 0.97185641029603 1.008 > 55 70 H 0.32392830555044 0.86364167728357 0.97185641029603 1.008 > 55 71 H 0.65726163888377 0.86364167728357 0.97185641029603 1.008 > 55 72 H 0.99059497221711 0.86364167728357 0.97185641029603 1.008 > 55 73 O 0.03279652216306 0.08878437927164 0.09794270271200 15.999 > 73 74 O 0.36612985549639 0.08878437927164 0.09794270271200 15.999 > 73 75 O 0.69946318882972 0.08878437927164 0.09794270271200 15.999 > 73 76 O 0.03279652216306 0.42211771260498 0.09794270271200 15.999 > 73 77 O 0.36612985549639 0.42211771260498 0.09794270271200 15.999 > 73 78 O 0.69946318882972 0.42211771260498 0.09794270271200 15.999 > 73 79 O 0.03279652216306 0.75545104593831 0.09794270271200 15.999 > 73 80 O 0.36612985549639 0.75545104593831 0.09794270271200 15.999 > 73 81 O 0.69946318882972 0.75545104593831 0.09794270271200 15.999 > 73 82 O 0.03279652216306 0.08878437927164 0.59794270271200 15.999 > 73 83 O 0.36612985549639 0.08878437927164 0.59794270271200 15.999 > 73 84 O 0.69946318882972 0.08878437927164 0.59794270271200 15.999 > 73 85 O 0.03279652216306 0.42211771260498 0.59794270271200 15.999 > 73 86 O 0.36612985549639 0.42211771260498 0.59794270271200 15.999 > 73 87 O 0.69946318882972 0.42211771260498 0.59794270271200 15.999 > 73 88 O 0.03279652216306 0.75545104593831 0.59794270271200 15.999 > 73 89 O 0.36612985549639 0.75545104593831 0.59794270271200 15.999 > 73 90 O 0.69946318882972 0.75545104593831 0.59794270271200 15.999 > 73 91 O 0.30053681117028 0.25545104593831 0.40205729728800 15.999 > 91 92 O 0.63387014450361 0.25545104593831 0.40205729728800 15.999 > 91 93 O 0.96720347783694 0.25545104593831 0.40205729728800 15.999 > 91 94 O 0.30053681117028 0.58878437927164 0.40205729728800 15.999 > 91 95 O 0.63387014450361 0.58878437927164 0.40205729728800 15.999 > 91 96 O 0.96720347783694 0.58878437927164 0.40205729728800 15.999 > 91 97 O 0.30053681117028 0.92211771260498 0.40205729728800 15.999 > 91 98 O 0.63387014450361 0.92211771260498 0.40205729728800 15.999 > 91 99 O 0.96720347783694 0.92211771260498 0.40205729728800 15.999 > 91 100 O 0.30053681117028 0.25545104593831 0.90205729728800 15.999 > 91 101 O 0.63387014450361 0.25545104593831 0.90205729728800 15.999 > 91 102 O 0.96720347783694 0.25545104593831 0.90205729728800 15.999 > 91 103 O 0.30053681117028 0.58878437927164 0.90205729728800 15.999 > 91 104 O 0.63387014450361 0.58878437927164 0.90205729728800 15.999 > 91 105 O 0.96720347783694 0.58878437927164 0.90205729728800 15.999 > 91 106 O 0.30053681117028 0.92211771260498 0.90205729728800 15.999 > 91 107 O 0.63387014450361 0.92211771260498 0.90205729728800 15.999 > 91 108 O 0.96720347783694 0.92211771260498 0.90205729728800 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5293360 0.0000000 -0.0000874 0.0000000 2.6018817 0.0000000 -0.0000876 0.0000000 2.5547490 -------------------------- Born effective charges -------------------------- 1 K 1.1617828 -0.0001802 -0.0000648 -0.0002157 1.1154425 -0.0043426 -0.0001530 -0.0301488 1.1492670 2 K 1.1617828 0.0001802 -0.0000648 0.0002157 1.1154425 0.0043426 -0.0001530 0.0301488 1.1492670 3 H 0.1968212 0.0009558 0.0007342 0.0011363 0.6835143 0.4145752 0.0008637 0.3684704 0.5079374 4 H 0.1968212 -0.0009558 0.0007342 -0.0011363 0.6835143 -0.4145752 0.0008637 -0.3684704 0.5079374 5 O -1.3586040 -0.0000417 -0.0006693 -0.0001584 -1.7989569 -0.0112359 -0.0007107 -0.0100498 -1.6572045 6 O -1.3586040 0.0000417 -0.0006693 0.0001584 -1.7989569 0.0112359 -0.0007107 0.0100498 -1.6572045 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 13 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.96, Number of G-points: 313, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/504) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 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 2.362 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 24.660 ( 0.000 0.000 0.000) 0.000 27.378 ( 0.000 0.000 0.000) 0.000 29.662 ( 0.000 0.000 0.000) 0.000 35.061 ( 0.000 0.000 0.000) 0.000 94.125 ( 0.000 0.000 0.000) 0.000 97.311 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/504) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 11.875 0.000 33.485) 35.528 0.593 ( 28.517 0.000 10.585) 30.418 0.940 ( 48.968 0.000 7.030) 49.470 2.574 ( 21.836 0.000 -0.698) 21.847 3.732 ( -1.340 0.000 -1.687) 2.154 4.583 ( 2.494 0.000 0.928) 2.661 4.797 ( -1.183 0.000 -0.817) 1.438 4.907 ( -3.783 0.000 -8.520) 9.322 5.320 ( 2.113 0.000 6.347) 6.689 7.352 ( -1.661 0.000 0.434) 1.717 8.265 ( 4.113 0.000 -10.527) 11.302 9.145 ( -5.886 0.000 4.273) 7.274 24.659 ( -0.238 0.000 0.327) 0.404 27.384 ( 0.719 0.000 0.016) 0.719 30.042 ( 6.892 0.000 -14.209) 15.793 35.048 ( -4.167 0.000 2.935) 5.097 94.125 ( -0.009 0.000 -0.097) 0.098 97.429 ( -13.991 0.000 32.420) 35.310 ======================= Grid point 2 (3/504) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 14.080 0.000 30.573) 33.660 1.168 ( 27.172 0.000 10.030) 28.964 1.849 ( 46.724 0.000 5.154) 47.007 3.042 ( 27.929 0.000 -0.545) 27.934 3.682 ( -2.210 0.000 -2.948) 3.684 4.644 ( 1.669 0.000 -8.295) 8.462 4.740 ( 0.146 0.000 -1.526) 1.533 4.801 ( -2.547 0.000 -0.515) 2.599 5.402 ( 2.209 0.000 4.881) 5.358 7.319 ( -2.263 0.000 0.756) 2.386 8.265 ( 2.000 0.000 -5.737) 6.075 9.033 ( -8.352 0.000 0.682) 8.380 24.656 ( -0.425 0.000 0.604) 0.739 27.403 ( 1.299 0.000 0.035) 1.300 30.079 ( 5.233 0.000 -6.981) 8.725 34.970 ( -5.700 0.000 0.543) 5.725 94.124 ( -0.016 0.000 -0.178) 0.179 97.389 ( -8.841 0.000 15.795) 18.101 ======================= Grid point 3 (4/504) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 14.865 0.000 27.571) 31.323 1.705 ( 24.953 0.000 9.131) 26.572 2.670 ( 41.143 0.000 0.719) 41.150 3.497 ( 20.304 0.000 2.249) 20.428 3.619 ( -1.620 0.000 -3.363) 3.733 4.449 ( -7.952 0.000 -17.234) 18.980 4.743 ( -2.840 0.000 0.426) 2.871 4.954 ( 16.000 0.000 5.861) 17.040 5.456 ( 0.864 0.000 2.333) 2.488 7.291 ( -1.164 0.000 0.650) 1.333 8.252 ( 0.471 0.000 -4.861) 4.884 8.859 ( -10.829 0.000 -0.075) 10.830 24.652 ( -0.523 0.000 0.780) 0.939 27.430 ( 1.627 0.000 0.053) 1.628 30.131 ( 4.854 0.000 -4.465) 6.595 34.857 ( -6.721 0.000 -0.396) 6.733 94.122 ( -0.019 0.000 -0.227) 0.228 97.332 ( -7.300 0.000 9.878) 12.283 ======================= Grid point 4 (5/504) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 14.836 0.000 24.552) 28.687 2.187 ( 21.827 0.000 7.908) 23.215 3.283 ( 27.284 0.000 -6.870) 28.135 3.538 ( -2.603 0.000 -3.492) 4.356 3.869 ( 16.079 0.000 9.244) 18.547 4.160 ( -10.090 0.000 -18.074) 20.699 4.694 ( -2.532 0.000 0.463) 2.574 5.362 ( 23.292 0.000 6.252) 24.116 5.463 ( -0.942 0.000 0.085) 0.946 7.292 ( 1.372 0.000 -0.486) 1.456 8.200 ( -2.885 0.000 -5.598) 6.298 8.658 ( -11.229 0.000 1.202) 11.293 24.648 ( -0.515 0.000 0.811) 0.960 27.460 ( 1.635 0.000 0.064) 1.636 30.188 ( 4.261 0.000 -3.048) 5.239 34.730 ( -6.614 0.000 -0.747) 6.656 94.120 ( -0.016 0.000 -0.233) 0.234 97.267 ( -6.055 0.000 6.490) 8.876 ======================= Grid point 5 (6/504) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 14.403 0.000 21.590) 25.953 2.594 ( 17.564 0.000 6.333) 18.671 3.461 ( -2.632 0.000 -3.163) 4.115 3.557 ( 10.005 0.000 -7.617) 12.574 3.830 ( -11.632 0.000 -17.225) 20.784 4.215 ( 11.630 0.000 6.837) 13.490 4.693 ( 3.266 0.000 1.844) 3.751 5.430 ( -2.184 0.000 -0.806) 2.328 5.835 ( 23.120 0.000 6.686) 24.067 7.332 ( 4.390 0.000 -3.140) 5.397 8.048 ( -9.927 0.000 -5.385) 11.293 8.501 ( -7.172 0.000 2.594) 7.627 24.645 ( -0.406 0.000 0.672) 0.786 27.488 ( 1.317 0.000 0.059) 1.318 30.238 ( 3.199 0.000 -1.974) 3.759 34.616 ( -5.279 0.000 -0.710) 5.327 94.118 ( -0.011 0.000 -0.191) 0.191 97.208 ( -4.440 0.000 4.014) 5.986 ======================= Grid point 6 (7/504) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 13.153 0.000 18.137) 22.404 2.895 ( 11.221 0.000 4.115) 11.952 3.387 ( -3.335 0.000 -2.489) 4.161 3.478 ( -10.954 0.000 -15.561) 19.030 3.647 ( 2.633 0.000 -4.341) 5.077 4.331 ( 0.381 0.000 1.267) 1.323 4.842 ( 8.367 0.000 2.812) 8.827 5.385 ( -1.885 0.000 -0.695) 2.009 6.244 ( 15.877 0.000 6.175) 17.035 7.407 ( 7.799 0.000 -6.434) 10.110 7.793 ( -14.669 0.000 -0.954) 14.700 8.429 ( -2.942 0.000 1.648) 3.372 24.643 ( -0.223 0.000 0.382) 0.442 27.507 ( 0.733 0.000 0.036) 0.734 30.273 ( 1.717 0.000 -0.984) 1.979 34.537 ( -2.927 0.000 -0.418) 2.956 94.117 ( -0.005 0.000 -0.108) 0.108 97.167 ( -2.365 0.000 1.929) 3.052 ======================= Grid point 7 (8/504) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 -0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 -0.000) 0.000 7.573 ( -0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 24.643 ( 0.000 0.000 0.000) 0.000 27.514 ( 0.000 0.000 0.000) 0.000 30.285 ( 0.000 0.000 0.000) 0.000 34.509 ( 0.000 0.000 0.000) 0.000 94.117 ( 0.000 0.000 0.000) 0.000 97.152 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 15 (9/504) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 30.744 0.000) 30.744 0.599 ( 0.000 30.545 0.000) 30.545 0.912 ( 0.000 46.259 0.000) 46.259 2.438 ( 0.000 7.634 0.000) 7.634 3.789 ( 0.000 3.929 0.000) 3.929 4.536 ( 0.000 -2.339 0.000) 2.339 4.939 ( 0.000 -3.868 0.000) 3.868 5.241 ( 0.000 -2.123 0.000) 2.123 5.269 ( 0.000 -2.190 0.000) 2.190 6.726 ( 0.000 1.888 0.000) 1.888 8.357 ( 0.000 5.015 0.000) 5.015 9.266 ( 0.000 -3.235 0.000) 3.235 25.302 ( 0.000 12.806 0.000) 12.806 27.411 ( 0.000 3.429 0.000) 3.429 29.630 ( 0.000 -3.260 0.000) 3.260 34.891 ( 0.000 -17.449 0.000) 17.449 95.641 ( 0.000 1.640 0.000) 1.640 97.272 ( 0.000 -4.024 0.000) 4.024 ======================= Grid point 16 (10/504) ======================= q-point: ( 0.07 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 13.707 20.130 -0.832) 24.368 0.772 ( 11.710 21.647 20.153) 31.810 1.371 ( 34.316 33.227 8.597) 48.534 2.636 ( 20.622 6.386 -0.843) 21.604 3.771 ( -1.613 3.793 -1.082) 4.261 4.560 ( 2.974 -2.003 0.016) 3.586 4.840 ( -3.503 -2.975 -13.414) 14.179 5.107 ( -8.378 13.872 -0.757) 16.224 5.296 ( 1.863 -2.284 6.844) 7.452 7.011 ( 14.212 -17.838 2.990) 23.003 8.302 ( 1.482 4.274 -14.121) 14.828 9.189 ( -10.721 0.239 11.238) 15.533 25.045 ( -12.578 26.293 -4.295) 29.462 27.419 ( 0.873 3.569 0.005) 3.674 29.831 ( 13.089 -12.606 -3.598) 18.525 34.871 ( -2.977 -17.711 1.201) 17.999 94.889 ( -34.034 40.207 -18.587) 55.860 97.341 ( -6.382 -7.111 21.286) 23.332 ======================= Grid point 17 (11/504) ======================= q-point: ( 0.14 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 15.514 8.974 16.158) 24.131 1.222 ( 22.154 9.058 15.508) 28.519 2.099 ( 39.259 22.141 5.934) 45.461 3.077 ( 26.255 3.645 -0.701) 26.516 3.721 ( -2.135 3.805 -2.681) 5.121 4.625 ( 0.603 -2.180 -9.987) 10.240 4.695 ( 1.965 -2.780 -4.106) 5.334 4.991 ( -5.270 14.418 0.736) 15.368 5.377 ( 1.911 -2.461 5.419) 6.251 7.167 ( 3.740 -13.178 0.569) 13.710 8.247 ( 2.253 -0.093 -11.967) 12.177 9.056 ( -11.886 1.011 8.844) 14.850 24.890 ( -4.333 21.806 -0.950) 22.252 27.442 ( 1.580 3.967 0.027) 4.271 29.979 ( 7.696 -8.761 -4.420) 12.470 34.801 ( -5.226 -17.285 0.199) 18.059 94.444 ( -10.921 26.812 -5.726) 29.511 97.334 ( -7.152 -5.421 13.701) 16.378 ======================= Grid point 18 (12/504) ======================= q-point: ( 0.21 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 15.385 4.112 20.933) 26.302 1.733 ( 23.151 4.315 12.144) 26.497 2.819 ( 36.623 14.065 1.084) 39.246 3.478 ( 14.284 -1.097 1.475) 14.402 3.686 ( 3.319 6.012 -3.187) 7.570 4.420 ( -7.560 -2.802 -16.866) 18.694 4.840 ( 3.449 5.807 -1.527) 6.924 4.971 ( 7.995 4.208 6.135) 10.921 5.431 ( 0.768 -2.515 2.792) 3.836 7.208 ( 1.603 -8.243 -0.458) 8.410 8.204 ( 0.675 -3.533 -9.087) 9.773 8.884 ( -12.788 1.618 6.018) 14.225 24.836 ( -1.957 18.241 0.136) 18.346 27.475 ( 1.980 4.552 0.046) 4.964 30.073 ( 6.022 -5.611 -3.531) 8.956 34.693 ( -6.367 -16.752 -0.530) 17.929 94.298 ( -3.987 16.526 -2.170) 17.138 97.287 ( -6.588 -4.511 9.089) 12.098 ======================= Grid point 19 (13/504) ======================= q-point: ( 0.29 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 15.116 1.497 20.980) 25.902 2.209 ( 20.951 2.812 9.817) 23.308 3.364 ( 22.780 7.423 -5.990) 24.696 3.537 ( -0.191 0.320 -2.867) 2.891 3.897 ( 13.932 2.730 5.699) 15.298 4.149 ( -8.732 -0.864 -16.509) 18.696 4.795 ( -3.398 9.274 0.011) 9.877 5.329 ( 20.827 -3.243 5.909) 21.890 5.446 ( 0.650 -1.718 0.664) 1.953 7.238 ( 2.947 -5.754 -1.988) 6.764 8.130 ( -3.133 -5.739 -7.072) 9.632 8.692 ( -12.144 2.471 4.616) 13.225 24.811 ( -1.143 16.493 0.474) 16.539 27.511 ( 1.993 5.209 0.056) 5.577 30.151 ( 4.977 -3.713 -2.605) 6.734 34.572 ( -6.312 -16.233 -0.824) 17.437 94.239 ( -1.702 11.722 -1.033) 11.890 97.229 ( -5.635 -3.952 6.087) 9.188 ======================= Grid point 20 (14/504) ======================= q-point: ( 0.36 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 14.549 -0.007 19.458) 24.296 2.614 ( 17.013 2.242 7.528) 18.739 3.444 ( -2.594 -1.256 -2.734) 3.972 3.625 ( 7.990 5.833 -8.533) 13.065 3.830 ( -9.835 0.252 -15.019) 17.955 4.222 ( 11.198 1.199 4.420) 12.098 4.774 ( 1.643 7.496 2.315) 8.016 5.407 ( -1.894 -2.303 -0.404) 3.009 5.794 ( 22.132 -4.032 6.129) 23.316 7.290 ( 5.429 -4.724 -4.685) 8.588 7.978 ( -9.399 -5.829 -4.274) 11.857 8.531 ( -8.395 2.291 3.462) 9.365 24.798 ( -0.702 15.611 0.482) 15.634 27.545 ( 1.608 5.809 0.052) 6.027 30.214 ( 3.658 -2.490 -1.741) 4.755 34.462 ( -5.051 -15.791 -0.759) 16.597 94.213 ( -0.767 9.479 -0.541) 9.525 97.173 ( -4.176 -3.562 3.792) 6.671 ======================= Grid point 21 (15/504) ======================= q-point: ( 0.43 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 13.153 -1.036 16.758) 21.329 2.910 ( 10.358 1.510 4.534) 11.407 3.357 ( -4.082 -2.235 -5.815) 7.448 3.503 ( -9.097 1.943 -10.947) 14.366 3.717 ( 2.271 6.607 -4.199) 8.151 4.335 ( 1.016 0.515 0.244) 1.165 4.889 ( 6.663 4.508 2.956) 8.571 5.368 ( -1.731 -1.711 -0.509) 2.486 6.181 ( 14.889 -6.254 5.476) 17.052 7.371 ( 8.463 -4.659 -7.582) 12.281 7.748 ( -13.847 -3.425 0.688) 14.280 8.440 ( -3.844 0.923 1.744) 4.321 24.792 ( -0.345 15.182 0.292) 15.189 27.568 ( 0.896 6.229 0.032) 6.293 30.256 ( 1.949 -1.769 -0.880) 2.775 34.386 ( -2.803 -15.494 -0.443) 15.752 94.201 ( -0.302 8.479 -0.242) 8.488 97.134 ( -2.233 -3.319 1.827) 4.397 ======================= Grid point 22 (16/504) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 0.000 -1.245 0.000) 1.245 2.996 ( 0.000 -1.670 0.000) 1.670 3.256 ( 0.000 0.674 0.000) 0.674 3.375 ( -0.000 2.728 -0.000) 2.728 3.724 ( 0.000 6.374 0.000) 6.374 4.335 ( 0.000 0.583 0.000) 0.583 4.970 ( 0.000 3.173 0.000) 3.173 5.349 ( 0.000 -1.506 0.000) 1.506 6.347 ( 0.000 -7.587 0.000) 7.587 7.478 ( 0.000 -9.609 -0.000) 9.609 7.557 ( -0.000 3.087 0.000) 3.087 8.412 ( 0.000 0.253 0.000) 0.253 24.789 ( 0.000 15.053 0.000) 15.053 27.576 ( 0.000 6.380 0.000) 6.380 30.271 ( 0.000 -1.527 0.000) 1.527 34.359 ( 0.000 -15.389 0.000) 15.389 94.197 ( 0.000 8.193 0.000) 8.193 97.120 ( 0.000 -3.235 0.000) 3.235 ======================= Grid point 30 (17/504) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 29.063 0.000) 29.063 1.209 ( 0.000 32.611 0.000) 32.611 1.777 ( 0.000 42.740 0.000) 42.740 2.643 ( 0.000 13.045 0.000) 13.045 3.899 ( 0.000 7.310 0.000) 7.310 4.469 ( 0.000 -4.465 0.000) 4.465 4.831 ( 0.000 -7.161 0.000) 7.161 5.191 ( 0.000 -2.765 0.000) 2.765 5.205 ( 0.000 -4.310 0.000) 4.310 6.765 ( 0.000 1.697 0.000) 1.697 8.486 ( 0.000 7.818 0.000) 7.818 9.179 ( 0.000 -5.451 0.000) 5.451 25.670 ( 0.000 25.023 0.000) 25.023 27.509 ( 0.000 6.678 0.000) 6.678 29.536 ( 0.000 -6.376 0.000) 6.376 34.395 ( 0.000 -33.348 0.000) 33.348 95.689 ( 0.000 3.221 0.000) 3.221 97.159 ( 0.000 -7.452 0.000) 7.452 ======================= Grid point 31 (18/504) ======================= q-point: ( 0.07 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 3.316 28.486 -8.174) 29.821 1.276 ( 4.299 28.597 13.250) 31.809 2.058 ( 22.732 36.248 8.648) 43.651 2.809 ( 17.375 11.049 -0.877) 20.610 3.873 ( -2.175 6.625 -1.104) 7.060 4.507 ( 4.164 -3.462 -0.239) 5.421 4.746 ( -3.230 -6.460 -12.515) 14.450 5.224 ( 1.411 -1.400 0.238) 2.002 5.248 ( 1.491 -1.592 7.347) 7.663 6.818 ( 5.810 -4.340 -1.778) 7.467 8.416 ( -0.639 7.011 -15.707) 17.212 9.144 ( -10.086 -4.125 16.209) 19.531 25.570 ( -7.846 29.325 -2.648) 30.472 27.521 ( 1.306 6.940 -0.001) 7.062 29.630 ( 8.772 -9.219 -0.477) 12.734 34.374 ( -2.369 -33.271 0.058) 33.355 95.388 ( -21.512 15.860 -12.430) 29.475 97.187 ( -2.329 -8.808 10.301) 13.752 ======================= Grid point 32 (19/504) ======================= q-point: ( 0.14 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 12.326 18.862 -2.043) 22.625 1.533 ( 11.117 21.252 19.160) 30.698 2.596 ( 29.262 27.507 6.643) 40.706 3.177 ( 21.412 6.306 -0.784) 22.335 3.821 ( -1.433 6.301 -2.758) 7.026 4.553 ( -3.018 -5.228 -14.315) 15.536 4.640 ( 6.758 -2.772 -0.468) 7.319 5.221 ( -2.047 6.865 -0.770) 7.205 5.319 ( 0.807 -2.751 6.770) 7.352 6.917 ( 6.542 -11.001 -3.346) 13.229 8.285 ( -0.975 3.647 -16.316) 16.747 9.044 ( -13.851 -2.089 17.710) 22.580 25.420 ( -6.211 31.950 -1.858) 32.601 27.555 ( 2.368 7.673 0.017) 8.030 29.790 ( 9.164 -10.190 -1.566) 13.794 34.312 ( -4.361 -32.807 -0.380) 33.097 94.951 ( -16.474 23.189 -8.843) 29.788 97.194 ( -4.523 -8.767 9.617) 13.777 ======================= Grid point 33 (20/504) ======================= q-point: ( 0.21 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 15.227 9.937 6.900) 19.447 1.911 ( 15.891 13.879 17.387) 27.340 3.155 ( 28.169 19.249 1.420) 34.147 3.469 ( 8.794 0.281 0.877) 8.842 3.826 ( 6.118 7.932 -4.185) 10.856 4.348 ( -6.425 -4.409 -15.389) 17.249 4.855 ( 14.850 -1.785 1.117) 14.998 5.151 ( -4.648 9.971 0.768) 11.028 5.368 ( 0.428 -3.640 3.909) 5.358 7.000 ( 5.847 -12.255 -4.782) 14.395 8.161 ( -2.358 -0.554 -11.344) 11.600 8.896 ( -14.353 -0.465 13.519) 19.723 25.324 ( -3.689 31.319 -0.788) 31.546 27.604 ( 2.974 8.743 0.037) 9.235 29.932 ( 7.920 -8.530 -1.872) 11.790 34.217 ( -5.477 -32.020 -0.840) 32.496 94.680 ( -8.984 21.204 -4.699) 23.504 97.164 ( -5.038 -8.035 7.199) 11.906 ======================= Grid point 34 (21/504) ======================= q-point: ( 0.29 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 15.436 4.562 12.122) 20.150 2.319 ( 16.786 8.788 13.927) 23.515 3.464 ( 1.371 0.525 -1.913) 2.411 3.628 ( 15.967 10.674 -5.603) 20.007 3.951 ( 6.057 1.730 -4.257) 7.602 4.153 ( -1.790 2.252 -8.411) 8.890 4.991 ( -2.879 9.237 -1.513) 9.793 5.250 ( 14.197 -4.255 5.215) 15.712 5.401 ( 3.237 -2.809 1.964) 4.714 7.067 ( 6.072 -11.794 -6.563) 14.799 8.034 ( -5.345 -3.259 -5.866) 8.579 8.725 ( -12.964 0.720 8.898) 15.740 25.269 ( -2.179 30.227 -0.195) 30.306 27.659 ( 3.000 9.947 0.049) 10.389 30.050 ( 6.537 -6.514 -1.645) 9.374 34.110 ( -5.500 -31.150 -1.025) 31.649 94.538 ( -4.607 18.141 -2.440) 18.875 97.118 ( -4.602 -7.323 5.039) 10.009 ======================= Grid point 35 (22/504) ======================= q-point: ( 0.36 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 14.763 1.466 14.073) 20.449 2.689 ( 14.474 5.662 10.189) 18.584 3.414 ( -3.190 -1.987 -3.307) 5.006 3.721 ( -1.718 2.155 -11.664) 11.985 3.879 ( 0.595 6.399 -8.199) 10.418 4.274 ( 9.106 4.264 0.820) 10.088 4.939 ( -1.050 8.424 2.156) 8.758 5.341 ( -1.020 -4.482 0.517) 4.625 5.691 ( 19.113 -6.303 4.788) 20.687 7.130 ( 6.725 -12.179 -8.598) 16.355 7.882 ( -8.864 -2.934 -0.797) 9.371 8.566 ( -9.689 1.059 4.994) 10.951 25.238 ( -1.261 29.419 0.046) 29.446 27.709 ( 2.426 11.047 0.047) 11.310 30.143 ( 4.764 -4.862 -1.189) 6.910 34.012 ( -4.429 -30.386 -0.892) 30.720 94.466 ( -2.267 16.056 -1.247) 16.263 97.073 ( -3.495 -6.746 3.194) 8.242 ======================= Grid point 36 (23/504) ======================= q-point: ( 0.43 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 13.113 -0.439 13.633) 18.921 2.951 ( 7.141 2.682 4.703) 8.961 3.317 ( -2.656 -1.754 -7.176) 7.850 3.539 ( -7.425 1.636 -6.376) 9.923 3.879 ( 1.871 9.575 -3.804) 10.471 4.359 ( 1.312 2.161 -1.646) 3.017 4.993 ( 3.616 5.504 2.868) 7.183 5.317 ( -1.334 -3.615 -0.070) 3.854 6.019 ( 12.577 -9.918 3.979) 16.504 7.187 ( 5.979 -14.487 -8.526) 17.841 7.719 ( -9.063 1.102 2.569) 9.484 8.455 ( -5.101 0.532 2.107) 5.545 25.222 ( -0.588 28.957 0.074) 28.963 27.744 ( 1.355 11.817 0.029) 11.895 30.203 ( 2.527 -3.799 -0.622) 4.605 33.944 ( -2.465 -29.868 -0.511) 29.974 94.432 ( -0.930 14.958 -0.533) 14.997 97.040 ( -1.886 -6.366 1.549) 6.818 ======================= Grid point 37 (24/504) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.000 -0.865 0.000) 0.865 2.957 ( 0.000 -2.138 0.000) 2.138 3.286 ( 0.000 2.380 0.000) 2.380 3.431 ( -0.000 2.579 -0.000) 2.579 3.882 ( 0.000 9.408 0.000) 9.408 4.355 ( 0.000 1.689 0.000) 1.689 5.046 ( 0.000 4.039 0.000) 4.039 5.303 ( 0.000 -3.310 0.000) 3.310 6.154 ( 0.000 -11.629 0.000) 11.629 7.215 ( 0.000 -17.060 0.000) 17.060 7.635 ( -0.000 4.949 0.000) 4.949 8.416 ( 0.000 0.147 0.000) 0.147 25.217 ( 0.000 28.808 0.000) 28.808 27.757 ( 0.000 12.095 0.000) 12.095 30.224 ( 0.000 -3.432 0.000) 3.432 33.920 ( 0.000 -29.685 0.000) 29.685 94.422 ( 0.000 14.623 0.000) 14.623 97.028 ( 0.000 -6.233 0.000) 6.233 ======================= Grid point 45 (25/504) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 26.959 0.000) 26.959 1.851 ( 0.000 33.331 0.000) 33.331 2.555 ( 0.000 37.282 0.000) 37.282 2.921 ( 0.000 15.099 0.000) 15.099 4.066 ( 0.000 9.763 0.000) 9.763 4.367 ( 0.000 -5.903 0.000) 5.903 4.666 ( 0.000 -9.780 0.000) 9.780 5.098 ( 0.000 -6.585 0.000) 6.585 5.150 ( 0.000 -1.389 0.000) 1.389 6.769 ( 0.000 -1.924 0.000) 1.924 8.642 ( 0.000 7.906 0.000) 7.906 9.067 ( 0.000 -5.667 0.000) 5.667 26.265 ( 0.000 36.158 0.000) 36.158 27.667 ( 0.000 9.567 0.000) 9.567 29.385 ( 0.000 -9.196 0.000) 9.196 33.618 ( 0.000 -46.370 0.000) 46.370 95.766 ( 0.000 4.731 0.000) 4.731 96.990 ( 0.000 -9.851 0.000) 9.851 ======================= Grid point 46 (26/504) ======================= q-point: ( 0.07 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.244 27.619 -4.676) 28.013 1.857 ( 1.915 31.098 3.966) 31.408 2.740 ( 14.745 33.504 8.561) 37.593 3.045 ( 12.905 12.728 -0.762) 18.142 4.018 ( -3.522 7.925 -1.642) 8.826 4.433 ( 6.492 -3.779 -0.583) 7.535 4.596 ( -2.897 -8.776 -10.174) 13.745 5.155 ( 4.697 -5.189 -0.951) 7.064 5.198 ( 2.428 -2.925 7.833) 8.707 6.758 ( 0.640 -3.526 -4.365) 5.648 8.555 ( -2.592 6.930 -15.879) 17.518 9.054 ( -8.922 -4.573 18.389) 20.944 26.216 ( -4.251 37.734 -1.467) 38.001 27.685 ( 1.944 9.905 0.009) 10.094 29.446 ( 6.306 -10.049 0.031) 11.864 33.599 ( -1.852 -46.178 -0.377) 46.216 95.620 ( -11.650 9.665 -6.918) 16.643 97.000 ( -1.276 -10.407 5.181) 11.695 ======================= Grid point 47 (27/504) ======================= q-point: ( 0.14 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.341 24.605 -7.914) 26.393 1.996 ( 5.679 25.751 14.635) 30.159 3.126 ( 20.618 26.418 6.813) 34.196 3.308 ( 14.309 6.976 -0.183) 15.920 3.956 ( -0.178 7.387 -4.060) 8.431 4.431 ( -4.114 -7.040 -13.386) 15.674 4.592 ( 9.631 -2.071 0.231) 9.854 5.220 ( 2.152 -3.467 2.042) 4.563 5.299 ( 2.307 -1.941 4.256) 5.216 6.742 ( 2.736 -8.083 -7.958) 11.668 8.370 ( -5.158 4.903 -14.834) 16.452 8.991 ( -13.037 -3.052 20.257) 24.282 26.117 ( -4.953 39.971 -1.673) 40.312 27.736 ( 3.524 10.852 0.033) 11.410 29.588 ( 9.002 -10.764 -0.348) 14.036 33.547 ( -3.405 -45.583 -0.821) 45.717 95.331 ( -13.232 16.546 -7.337) 22.421 97.003 ( -2.806 -10.716 6.039) 12.617 ======================= Grid point 48 (28/504) ======================= q-point: ( 0.21 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 10.594 17.295 -2.828) 20.478 2.244 ( 9.132 19.791 17.141) 27.729 3.446 ( 5.619 2.819 -1.562) 6.478 3.569 ( 18.716 17.116 3.624) 25.620 3.969 ( 5.148 5.807 -8.351) 11.400 4.268 ( -3.400 -2.739 -9.984) 10.897 4.816 ( 14.600 -1.809 1.260) 14.766 5.249 ( -0.443 -1.076 0.058) 1.165 5.321 ( -1.957 -0.238 3.614) 4.116 6.753 ( 5.412 -13.328 -10.288) 17.686 8.183 ( -6.747 2.795 -7.861) 10.730 8.871 ( -13.856 -1.984 15.685) 21.023 26.027 ( -3.834 40.886 -1.230) 41.084 27.809 ( 4.431 12.232 0.062) 13.010 29.751 ( 9.170 -10.097 -0.678) 13.657 33.469 ( -4.326 -44.669 -1.176) 44.893 95.078 ( -9.709 19.368 -5.168) 22.273 96.984 ( -3.528 -10.408 5.030) 12.086 ======================= Grid point 49 (29/504) ======================= q-point: ( 0.29 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 13.215 10.175 3.234) 16.989 2.543 ( 10.901 13.926 15.584) 23.572 3.442 ( -2.238 -2.166 -2.382) 3.921 3.845 ( 6.419 7.245 -10.361) 14.179 3.968 ( 5.262 3.806 -6.074) 8.892 4.248 ( 5.736 6.813 -0.974) 8.959 5.082 ( 8.826 -0.494 -0.489) 8.853 5.207 ( -0.839 0.257 1.570) 1.799 5.340 ( 3.388 -3.373 3.264) 5.789 6.788 ( 6.587 -16.832 -11.498) 21.422 8.020 ( -7.748 1.925 -1.450) 8.115 8.719 ( -12.662 -1.191 10.344) 16.393 25.962 ( -2.578 40.920 -0.758) 41.008 27.891 ( 4.476 13.783 0.081) 14.492 29.902 ( 8.043 -8.704 -0.745) 11.875 33.381 ( -4.395 -43.648 -1.274) 43.888 94.909 ( -5.971 19.556 -3.147) 20.688 96.950 ( -3.413 -9.884 3.685) 11.087 ======================= Grid point 50 (30/504) ======================= q-point: ( 0.36 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 13.714 4.936 7.612) 16.443 2.832 ( 9.863 8.872 11.798) 17.753 3.365 ( -3.061 -3.034 -5.034) 6.627 3.720 ( -5.612 -1.165 -10.033) 11.555 4.054 ( 4.667 10.305 -5.491) 12.575 4.379 ( 6.575 6.195 -1.078) 9.098 5.065 ( -2.684 3.958 1.165) 4.922 5.242 ( -0.407 -5.330 1.035) 5.444 5.562 ( 14.874 -6.810 3.524) 16.734 6.822 ( 5.757 -19.083 -11.191) 22.859 7.884 ( -7.613 3.062 2.407) 8.552 8.570 ( -9.833 -0.588 5.859) 11.461 25.921 ( -1.564 40.697 -0.413) 40.729 27.966 ( 3.626 15.204 0.078) 15.630 30.025 ( 5.983 -7.314 -0.604) 9.469 33.300 ( -3.571 -42.745 -1.064) 42.907 94.811 ( -3.259 19.016 -1.737) 19.372 96.916 ( -2.656 -9.373 2.379) 10.029 ======================= Grid point 51 (31/504) ======================= q-point: ( 0.43 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 12.464 1.482 9.713) 15.871 3.006 ( 1.111 2.649 2.273) 3.663 3.296 ( 1.376 -0.172 -4.115) 4.342 3.562 ( -6.100 0.766 -4.191) 7.441 4.072 ( 1.458 10.108 -3.322) 10.739 4.421 ( 0.346 4.062 -2.841) 4.968 5.072 ( 1.350 2.112 2.293) 3.397 5.229 ( -0.985 -5.317 0.229) 5.412 5.817 ( 9.806 -10.494 2.610) 14.598 6.837 ( 3.196 -20.717 -7.691) 22.329 7.786 ( -5.030 5.498 2.775) 7.952 8.458 ( -5.474 -0.239 2.530) 6.036 25.899 ( -0.739 40.501 -0.178) 40.508 28.018 ( 2.028 16.201 0.048) 16.328 30.106 ( 3.195 -6.345 -0.334) 7.112 33.243 ( -2.000 -42.134 -0.601) 42.186 94.762 ( -1.410 18.554 -0.765) 18.623 96.890 ( -1.448 -9.010 1.162) 9.199 ======================= Grid point 52 (32/504) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.000 0.259 0.000) 0.259 2.920 ( 0.000 -1.590 -0.000) 1.590 3.344 ( 0.000 3.566 0.000) 3.566 3.467 ( -0.000 1.236 -0.000) 1.236 4.073 ( 0.000 9.985 0.000) 9.985 4.404 ( 0.000 3.295 0.000) 3.295 5.100 ( 0.000 1.062 0.000) 1.062 5.220 ( 0.000 -5.215 0.000) 5.215 5.919 ( 0.000 -12.116 0.000) 12.116 6.837 ( 0.000 -21.327 0.000) 21.327 7.749 ( 0.000 6.833 0.000) 6.833 8.417 ( 0.000 -0.140 0.000) 0.140 25.892 ( 0.000 40.428 0.000) 40.428 28.037 ( 0.000 16.561 0.000) 16.561 30.133 ( 0.000 -6.001 0.000) 6.001 33.222 ( 0.000 -41.919 0.000) 41.919 94.747 ( 0.000 18.388 0.000) 18.388 96.881 ( 0.000 -8.879 0.000) 8.879 ======================= Grid point 60 (33/504) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 24.302 0.000) 24.302 2.482 ( 0.000 31.284 0.000) 31.284 3.199 ( 0.000 12.805 0.000) 12.805 3.213 ( 0.000 30.186 0.000) 30.186 4.255 ( 0.000 -5.092 0.000) 5.092 4.261 ( 0.000 9.642 0.000) 9.642 4.455 ( 0.000 -11.889 0.000) 11.889 4.949 ( 0.000 -8.748 0.000) 8.748 5.156 ( 0.000 2.703 0.000) 2.703 6.668 ( 0.000 -8.864 0.000) 8.864 8.780 ( 0.000 6.059 0.000) 6.059 8.974 ( 0.000 -3.677 0.000) 3.677 27.061 ( 0.000 45.811 0.000) 45.811 27.877 ( 0.000 11.919 0.000) 11.919 29.183 ( 0.000 -11.553 0.000) 11.553 32.623 ( 0.000 -55.601 0.000) 55.601 95.872 ( 0.000 6.210 0.000) 6.210 96.786 ( 0.000 -11.049 0.000) 11.049 ======================= Grid point 61 (34/504) ======================= q-point: ( 0.07 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -0.683 24.563 -1.336) 24.609 2.459 ( 0.383 30.293 -2.753) 30.421 3.272 ( 7.514 10.404 -1.050) 12.877 3.342 ( 9.436 27.651 9.077) 30.594 4.150 ( -3.714 4.543 -3.410) 6.787 4.364 ( 4.466 -5.966 -6.722) 10.036 4.437 ( 1.412 -3.866 0.434) 4.138 5.016 ( 7.105 -8.711 -1.296) 11.315 5.179 ( 0.401 1.473 5.223) 5.441 6.638 ( -1.244 -9.528 -5.375) 11.010 8.676 ( -4.622 5.455 -13.591) 15.357 8.981 ( -7.311 -2.894 17.560) 19.240 27.033 ( -2.536 46.451 -1.004) 46.531 27.901 ( 2.675 12.275 0.044) 12.563 29.235 ( 5.479 -11.766 0.181) 12.980 32.609 ( -1.324 -55.389 -0.587) 55.408 95.793 ( -6.542 8.606 -3.947) 11.508 96.788 ( -0.907 -11.364 2.639) 11.701 ======================= Grid point 62 (35/504) ======================= q-point: ( 0.14 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 1.114 24.353 -7.511) 25.509 2.506 ( 3.032 26.278 7.293) 27.440 3.402 ( 6.213 3.578 -1.467) 7.318 3.622 ( 13.738 22.954 8.754) 28.147 4.078 ( 0.755 3.024 -10.964) 11.398 4.311 ( -1.869 -3.170 -3.742) 5.248 4.566 ( 10.199 -0.354 -0.265) 10.208 5.137 ( 5.967 -5.916 -1.611) 8.556 5.239 ( 1.728 -2.224 5.979) 6.609 6.557 ( -1.314 -12.020 -10.362) 15.924 8.472 ( -8.343 5.570 -9.330) 13.700 8.934 ( -11.320 -2.815 17.475) 21.010 26.967 ( -3.468 47.704 -1.456) 47.852 27.971 ( 4.846 13.274 0.099) 14.131 29.369 ( 8.835 -11.948 0.124) 14.860 32.569 ( -2.444 -54.784 -1.108) 54.850 95.614 ( -8.927 13.222 -5.077) 16.742 96.784 ( -1.908 -11.774 3.434) 12.412 ======================= Grid point 63 (36/504) ======================= q-point: ( 0.21 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 5.193 20.644 -7.087) 22.436 2.650 ( 4.753 21.430 12.824) 25.423 3.441 ( -0.359 -2.055 -2.261) 3.076 3.917 ( 11.742 13.962 -0.609) 18.253 3.999 ( 1.420 0.089 -9.856) 9.958 4.308 ( 3.207 6.981 -1.147) 7.767 4.790 ( 14.256 -0.855 0.865) 14.308 5.194 ( 1.160 -3.280 0.578) 3.527 5.290 ( -0.231 -3.349 2.006) 3.911 6.467 ( 1.084 -16.665 -13.466) 21.453 8.267 ( -9.493 5.783 -2.449) 11.382 8.824 ( -12.640 -2.906 13.782) 18.925 26.897 ( -3.104 48.688 -1.417) 48.808 28.072 ( 6.094 14.730 0.155) 15.941 29.541 ( 9.862 -11.613 -0.045) 15.235 32.509 ( -3.146 -53.901 -1.448) 54.012 95.427 ( -7.840 16.781 -4.271) 19.008 96.767 ( -2.480 -11.873 3.052) 12.507 ======================= Grid point 64 (37/504) ======================= q-point: ( 0.29 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 8.696 14.808 -3.009) 17.434 2.839 ( 5.670 16.108 13.597) 21.829 3.382 ( -2.872 -4.102 -4.386) 6.657 3.835 ( -3.598 -3.718 -11.896) 12.972 4.174 ( 9.196 12.945 -1.610) 15.960 4.391 ( 6.463 7.575 -0.178) 9.959 5.052 ( 11.129 -1.080 1.142) 11.239 5.193 ( -1.671 -2.331 -1.170) 3.097 5.271 ( -0.120 -3.886 2.582) 4.667 6.420 ( 4.040 -20.923 -13.477) 25.214 8.102 ( -8.703 6.217 2.391) 10.959 8.682 ( -11.764 -2.642 9.675) 15.459 26.839 ( -2.293 49.216 -1.148) 49.282 28.185 ( 6.163 16.373 0.188) 17.495 29.713 ( 9.075 -10.873 -0.165) 14.164 32.440 ( -3.252 -52.935 -1.497) 53.056 95.281 ( -5.526 18.617 -2.958) 19.644 96.740 ( -2.457 -11.732 2.299) 12.205 ======================= Grid point 65 (38/504) ======================= q-point: ( 0.36 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 10.541 8.766 1.626) 13.806 3.019 ( 3.883 9.774 9.976) 14.496 3.300 ( -1.445 -3.335 -5.394) 6.504 3.693 ( -4.594 -1.616 -7.096) 8.606 4.252 ( 3.113 9.885 -4.435) 11.273 4.501 ( 4.511 6.061 -1.747) 7.755 5.087 ( -3.408 -1.284 0.560) 3.684 5.151 ( -1.675 -3.846 0.204) 4.200 5.433 ( 11.807 -6.262 2.518) 13.600 6.414 ( 4.264 -22.452 -10.951) 25.342 7.987 ( -6.586 7.085 4.030) 10.479 8.545 ( -9.136 -1.936 5.975) 11.087 26.799 ( -1.459 49.441 -0.793) 49.469 28.289 ( 5.003 17.889 0.176) 18.576 29.857 ( 6.895 -10.076 -0.187) 12.210 32.376 ( -2.687 -52.093 -1.223) 52.177 95.186 ( -3.300 19.344 -1.770) 19.703 96.713 ( -1.930 -11.497 1.498) 11.754 ======================= Grid point 66 (39/504) ======================= q-point: ( 0.43 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 10.397 3.711 5.340) 12.263 3.036 ( -4.629 0.089 -3.476) 5.789 3.324 ( 4.915 3.214 2.724) 6.473 3.573 ( -4.634 0.458 -3.638) 5.909 4.259 ( 0.928 8.871 -2.809) 9.352 4.504 ( -1.170 4.140 -3.196) 5.359 5.067 ( 0.046 -2.555 1.847) 3.153 5.121 ( -1.400 -5.458 -0.193) 5.638 5.629 ( 7.430 -8.512 1.599) 11.411 6.414 ( 2.358 -22.228 -6.351) 23.237 7.920 ( -3.506 8.037 2.853) 9.221 8.446 ( -5.066 -1.128 2.805) 5.899 26.775 ( -0.702 49.522 -0.404) 49.529 28.361 ( 2.804 18.964 0.108) 19.171 29.953 ( 3.712 -9.498 -0.120) 10.199 32.330 ( -1.523 -51.534 -0.684) 51.561 95.134 ( -1.502 19.571 -0.814) 19.645 96.693 ( -1.054 -11.294 0.733) 11.366 ======================= Grid point 67 (40/504) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.000 1.030 0.000) 1.030 2.897 ( -0.000 -0.841 -0.000) 0.841 3.419 ( 0.000 3.991 0.000) 3.991 3.488 ( -0.000 1.145 -0.000) 1.145 4.257 ( 0.000 8.695 0.000) 8.695 4.472 ( 0.000 3.308 0.000) 3.308 5.080 ( 0.000 -2.889 0.000) 2.889 5.106 ( 0.000 -6.270 0.000) 6.270 5.704 ( 0.000 -9.641 0.000) 9.641 6.413 ( 0.000 -21.862 0.000) 21.862 7.899 ( 0.000 8.452 0.000) 8.452 8.409 ( 0.000 -0.767 0.000) 0.767 26.767 ( 0.000 49.541 0.000) 49.541 28.388 ( 0.000 19.355 0.000) 19.355 29.986 ( 0.000 -9.291 0.000) 9.291 32.314 ( 0.000 -51.340 0.000) 51.340 95.118 ( 0.000 19.616 0.000) 19.616 96.686 ( 0.000 -11.214 0.000) 11.214 ======================= Grid point 75 (41/504) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 21.035 0.000) 21.035 3.045 ( 0.000 26.493 0.000) 26.493 3.360 ( 0.000 2.534 0.000) 2.534 3.722 ( 0.000 21.683 0.000) 21.683 4.206 ( 0.000 -4.911 0.000) 4.911 4.214 ( 0.000 -6.305 0.000) 6.305 4.394 ( 0.000 2.829 0.000) 2.829 4.761 ( 0.000 -10.627 0.000) 10.627 5.292 ( 0.000 12.173 0.000) 12.173 6.420 ( 0.000 -16.641 0.000) 16.641 8.872 ( 0.000 3.403 0.000) 3.403 8.929 ( 0.000 -1.099 0.000) 1.099 28.025 ( 0.000 52.505 0.000) 52.505 28.127 ( 0.000 14.661 0.000) 14.661 28.941 ( 0.000 -13.284 0.000) 13.284 31.491 ( 0.000 -60.654 0.000) 60.654 96.006 ( 0.000 7.695 0.000) 7.695 96.569 ( 0.000 -11.137 0.000) 11.137 ======================= Grid point 76 (42/504) ======================= q-point: ( 0.07 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -0.740 21.017 -0.227) 21.032 3.006 ( -0.613 25.581 -5.979) 26.278 3.387 ( 2.580 0.877 -0.867) 2.859 3.812 ( 5.844 19.501 7.867) 21.825 4.134 ( -1.717 -9.054 -12.837) 15.802 4.253 ( 4.082 2.540 2.649) 5.489 4.460 ( 3.307 1.480 5.532) 6.613 4.828 ( 7.343 -10.570 -0.986) 12.908 5.287 ( -0.762 10.571 0.539) 10.612 6.380 ( -2.400 -16.976 -5.338) 17.957 8.769 ( -5.884 4.269 -7.815) 10.673 8.938 ( -5.986 -1.778 12.548) 14.015 28.004 ( -1.866 52.916 -0.942) 52.958 28.157 ( 3.302 14.459 0.162) 14.832 28.993 ( 5.435 -12.999 0.247) 14.092 31.480 ( -0.865 -60.476 -0.692) 60.486 95.963 ( -3.721 9.031 -2.198) 10.011 96.565 ( -0.879 -11.459 1.133) 11.549 ======================= Grid point 77 (43/504) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.879 21.024 -5.097) 21.651 2.987 ( 1.240 22.597 0.290) 22.633 3.409 ( 0.464 -2.812 -2.174) 3.585 3.954 ( 2.620 -2.553 -8.530) 9.281 4.061 ( 4.546 10.773 2.941) 12.058 4.381 ( 6.291 7.724 4.010) 10.739 4.574 ( 7.732 0.691 1.182) 7.852 4.982 ( 9.831 -9.437 -1.837) 13.750 5.271 ( -1.661 6.291 1.155) 6.609 6.263 ( -4.301 -18.164 -10.267) 21.303 8.586 ( -9.665 6.104 -3.012) 11.821 8.877 ( -10.138 -3.261 12.291) 16.263 27.954 ( -2.536 53.408 -1.470) 53.488 28.245 ( 6.050 15.002 0.281) 16.179 29.127 ( 8.874 -12.689 0.282) 15.486 31.451 ( -1.623 -59.978 -1.267) 60.013 95.857 ( -5.583 12.018 -3.131) 13.616 96.552 ( -1.663 -12.124 1.518) 12.331 ======================= Grid point 78 (44/504) ======================= q-point: ( 0.21 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.292 19.490 -7.606) 20.961 3.046 ( 2.007 18.321 6.813) 19.650 3.368 ( -2.211 -5.095 -4.399) 7.085 3.856 ( -1.815 -7.968 -11.751) 14.313 4.256 ( 9.135 14.433 6.322) 18.213 4.480 ( 2.928 9.201 0.390) 9.664 4.788 ( 14.795 1.015 0.406) 14.836 5.116 ( 5.459 -5.475 -2.013) 7.990 5.242 ( -2.497 0.480 1.149) 2.790 6.102 ( -3.499 -20.673 -13.300) 24.830 8.397 ( -10.470 7.303 1.875) 12.903 8.756 ( -11.678 -4.125 10.614) 16.311 27.899 ( -2.258 54.107 -1.605) 54.178 28.372 ( 7.640 16.167 0.375) 17.885 29.303 ( 10.091 -12.681 0.181) 16.207 31.406 ( -2.151 -59.270 -1.609) 59.331 95.733 ( -5.461 14.977 -2.935) 16.210 96.528 ( -2.063 -12.727 1.356) 12.965 ======================= Grid point 79 (45/504) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 4.095 15.859 -6.139) 17.492 3.134 ( 1.125 11.981 8.088) 14.499 3.289 ( -1.681 -3.792 -5.499) 6.888 3.747 ( -2.771 -5.287 -7.400) 9.507 4.416 ( 4.484 11.608 -0.054) 12.444 4.531 ( 4.348 6.631 -0.447) 7.942 5.062 ( 12.842 2.238 0.224) 13.037 5.137 ( -1.144 -2.671 -1.024) 3.081 5.189 ( -3.080 -4.062 -0.024) 5.097 5.990 ( 1.545 -23.029 -12.412) 26.207 8.243 ( -8.973 7.881 4.654) 12.817 8.617 ( -10.766 -4.119 8.370) 14.245 27.853 ( -1.661 54.833 -1.454) 54.877 28.516 ( 7.761 17.581 0.420) 19.222 29.482 ( 9.420 -12.800 0.057) 15.893 31.354 ( -2.310 -58.526 -1.633) 58.595 95.627 ( -4.232 17.075 -2.227) 17.732 96.499 ( -1.985 -13.119 1.008) 13.307 ======================= Grid point 80 (46/504) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 6.095 10.793 -2.829) 12.714 3.123 ( -3.725 -2.152 -3.590) 5.603 3.307 ( 3.444 6.679 4.688) 8.857 3.655 ( -3.040 -2.474 -4.135) 5.698 4.431 ( 0.384 8.515 -3.716) 9.298 4.602 ( 2.137 4.022 -1.816) 4.903 5.049 ( -5.486 -1.977 -0.108) 5.832 5.083 ( -3.186 -3.358 -0.782) 4.694 5.339 ( 11.401 -2.621 0.922) 11.735 5.978 ( 4.405 -21.866 -8.689) 23.938 8.139 ( -6.247 8.189 4.821) 11.372 8.494 ( -8.090 -3.402 5.782) 10.510 27.819 ( -1.048 55.394 -1.094) 55.415 28.648 ( 6.340 18.957 0.378) 19.993 29.634 ( 7.209 -12.925 -0.029) 14.799 31.304 ( -1.984 -57.921 -1.319) 57.970 95.552 ( -2.711 18.286 -1.422) 18.541 96.472 ( -1.523 -13.306 0.644) 13.409 ======================= Grid point 81 (47/504) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 6.722 5.232 1.097) 8.589 3.009 ( -4.776 -2.694 -5.969) 8.105 3.412 ( 3.632 5.342 5.395) 8.417 3.579 ( -2.801 0.053 -2.792) 3.955 4.409 ( -0.063 6.528 -2.538) 7.005 4.566 ( -2.861 1.895 -3.143) 4.654 4.995 ( -1.146 -3.849 1.046) 4.150 5.028 ( -2.261 -4.299 -0.315) 4.867 5.506 ( 6.305 -3.572 0.498) 7.264 6.003 ( 3.010 -19.540 -4.466) 20.268 8.083 ( -3.105 8.375 2.958) 9.409 8.411 ( -4.335 -2.519 2.946) 5.815 27.800 ( -0.500 55.731 -0.586) 55.736 28.741 ( 3.576 19.991 0.229) 20.309 29.735 ( 3.890 -13.025 -0.045) 13.593 31.268 ( -1.158 -57.555 -0.733) 57.571 95.509 ( -1.288 18.866 -0.680) 18.923 96.454 ( -0.818 -13.365 0.310) 13.394 ======================= Grid point 82 (48/504) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.000 1.001 0.000) 1.001 2.886 ( -0.000 -0.311 -0.000) 0.311 3.493 ( 0.000 3.452 0.000) 3.452 3.517 ( -0.000 1.794 -0.000) 1.794 4.400 ( 0.000 5.892 0.000) 5.892 4.518 ( 0.000 1.214 0.000) 1.214 4.992 ( 0.000 -5.070 0.000) 5.070 5.006 ( -0.000 -4.163 -0.000) 4.163 5.566 ( 0.000 -4.109 0.000) 4.109 6.015 ( 0.000 -18.530 0.000) 18.530 8.066 ( 0.000 8.437 0.000) 8.437 8.382 ( 0.000 -2.123 0.000) 2.123 27.793 ( 0.000 55.842 0.000) 55.842 28.775 ( 0.000 20.381 0.000) 20.381 29.770 ( 0.000 -13.066 0.000) 13.066 31.254 ( 0.000 -57.437 0.000) 57.437 95.495 ( 0.000 19.034 0.000) 19.034 96.448 ( 0.000 -13.374 0.000) 13.374 ======================= Grid point 90 (49/504) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.000 16.788 0.000) 16.788 3.281 ( 0.000 -9.884 0.000) 9.884 3.504 ( 0.000 20.921 0.000) 20.921 3.851 ( 0.000 -13.450 0.000) 13.450 4.153 ( 0.000 11.766 0.000) 11.766 4.329 ( 0.000 9.692 0.000) 9.692 4.352 ( 0.000 -6.885 0.000) 6.885 4.543 ( 0.000 -11.605 0.000) 11.605 5.621 ( 0.000 20.678 0.000) 20.678 6.042 ( 0.000 -21.598 0.000) 21.598 8.914 ( 0.000 1.050 0.000) 1.050 8.921 ( 0.000 -0.047 0.000) 0.047 28.395 ( 0.000 14.355 0.000) 14.355 28.673 ( 0.000 -14.244 0.000) 14.244 29.125 ( 0.000 59.084 0.000) 59.084 30.300 ( 0.000 -61.656 0.000) 61.656 96.170 ( 0.000 9.145 0.000) 9.145 96.359 ( 0.000 -10.390 0.000) 10.390 ======================= Grid point 91 (50/504) ======================= q-point: ( 0.07 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -1.012 16.574 0.068) 16.605 3.265 ( -1.841 -8.313 -0.039) 8.515 3.478 ( 1.070 18.695 -8.434) 20.537 3.817 ( -0.002 -15.026 -9.364) 17.706 4.201 ( 2.508 12.982 7.309) 15.108 4.360 ( 3.524 2.194 3.314) 5.312 4.442 ( 6.058 1.106 4.381) 7.558 4.614 ( 7.731 -11.164 -0.521) 13.590 5.590 ( -2.367 19.693 -2.874) 20.042 6.000 ( -2.957 -21.422 -4.489) 22.087 8.844 ( -5.984 3.444 -0.874) 6.959 8.900 ( -5.711 -2.369 5.816) 8.488 28.430 ( 3.810 14.494 0.094) 14.987 28.701 ( 2.978 -11.871 0.037) 12.239 29.128 ( 0.689 56.646 -0.599) 56.653 30.292 ( -0.510 -61.491 -0.721) 61.497 96.146 ( -2.104 9.939 -0.991) 10.208 96.348 ( -1.233 -10.873 0.032) 10.943 ======================= Grid point 92 (51/504) ======================= q-point: ( 0.14 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -1.988 16.308 -3.119) 16.723 3.218 ( -2.634 -6.903 -1.214) 7.487 3.444 ( 1.296 14.681 -7.067) 16.345 3.740 ( -0.244 -13.990 -10.567) 17.534 4.330 ( 5.108 11.741 8.698) 15.479 4.478 ( 4.525 -1.974 6.353) 8.046 4.616 ( 11.346 6.630 1.200) 13.196 4.791 ( 11.630 -9.945 -0.844) 15.325 5.498 ( -4.662 16.708 -5.061) 18.069 5.875 ( -5.713 -20.918 -8.470) 23.280 8.702 ( -9.831 5.730 2.326) 11.614 8.802 ( -9.785 -4.520 7.150) 12.935 28.529 ( 6.859 14.931 0.137) 16.432 28.773 ( 4.601 -2.673 -0.008) 5.321 29.146 ( 1.991 47.199 -0.957) 47.251 30.272 ( -0.992 -61.018 -1.304) 61.040 96.087 ( -3.357 11.834 -1.516) 12.394 96.317 ( -2.103 -12.022 -0.042) 12.205 ======================= Grid point 93 (52/504) ======================= q-point: ( 0.21 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -1.180 15.698 -6.414) 16.999 3.156 ( -2.390 -9.253 -3.519) 10.184 3.428 ( 0.547 13.422 -2.257) 13.622 3.672 ( -0.765 -11.069 -6.439) 12.828 4.484 ( 5.548 8.751 6.349) 12.152 4.580 ( 2.490 -0.410 4.158) 4.864 4.859 ( 14.593 6.336 -0.382) 15.914 4.991 ( 10.376 -6.857 -1.227) 12.498 5.359 ( -6.247 12.153 -5.780) 14.837 5.692 ( -6.357 -20.657 -10.890) 24.201 8.538 ( -10.789 7.001 4.956) 13.783 8.662 ( -11.110 -5.667 7.654) 14.633 28.670 ( 8.431 16.071 0.002) 18.148 28.854 ( 4.133 16.467 -0.101) 16.978 29.194 ( 4.223 27.165 -0.910) 27.507 30.240 ( -1.408 -60.337 -1.633) 60.375 96.012 ( -3.538 13.924 -1.540) 14.449 96.275 ( -2.391 -13.294 -0.136) 13.508 ======================= Grid point 94 (53/504) ======================= q-point: ( 0.29 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 0.574 13.763 -6.951) 15.430 3.084 ( -1.790 -9.987 -6.112) 11.845 3.435 ( 0.332 11.370 2.023) 11.553 3.622 ( -1.346 -7.905 -2.585) 8.425 4.593 ( 2.038 5.770 2.047) 6.453 4.626 ( 1.566 2.264 0.493) 2.797 5.083 ( 4.737 -0.425 -0.826) 4.827 5.100 ( 2.922 -2.132 -1.658) 3.979 5.229 ( -0.010 11.315 -4.660) 12.237 5.555 ( 1.155 -20.872 -9.407) 22.923 8.393 ( -9.295 7.330 6.030) 13.285 8.521 ( -9.900 -5.789 7.153) 13.516 28.813 ( 6.753 23.470 -0.795) 24.435 28.924 ( 4.293 31.645 0.473) 31.939 29.282 ( 5.848 4.915 -0.663) 7.668 30.200 ( -1.681 -59.665 -1.639) 59.712 95.943 ( -2.946 15.605 -1.255) 15.930 96.233 ( -2.141 -14.329 -0.171) 14.489 ======================= Grid point 95 (54/504) ======================= q-point: ( 0.36 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 1.818 10.272 -5.431) 11.761 3.010 ( -1.571 -7.982 -6.560) 10.451 3.466 ( 0.815 7.821 3.674) 8.679 3.588 ( -1.268 -4.720 -0.574) 4.921 4.575 ( -2.087 5.924 -2.892) 6.915 4.640 ( -1.008 -0.505 -1.905) 2.213 5.019 ( -5.835 -0.886 -1.306) 6.045 5.028 ( -4.370 -1.937 -1.313) 4.957 5.370 ( 10.467 6.612 -1.549) 12.477 5.598 ( 6.989 -16.436 -5.129) 18.582 8.290 ( -6.453 7.151 5.257) 10.974 8.411 ( -7.108 -5.247 5.541) 10.428 28.879 ( 2.060 44.457 -1.273) 44.523 29.033 ( 6.445 24.578 1.008) 25.428 29.381 ( 5.223 -8.497 -0.514) 9.987 30.159 ( -1.640 -59.299 -1.314) 59.336 95.891 ( -2.003 16.700 -0.846) 16.841 96.198 ( -1.549 -15.006 -0.143) 15.086 ======================= Grid point 96 (55/504) ======================= q-point: ( 0.43 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 2.233 5.462 -2.379) 6.362 2.938 ( -1.883 -4.481 -4.865) 6.877 3.509 ( 1.175 4.268 3.148) 5.432 3.567 ( -0.829 -1.636 -0.384) 1.874 4.512 ( -2.051 4.174 -2.646) 5.350 4.569 ( -3.647 -1.553 -2.849) 4.882 4.945 ( -2.120 -0.992 0.093) 2.342 4.960 ( -2.461 -2.374 -0.076) 3.420 5.511 ( 5.732 4.431 -0.760) 7.285 5.682 ( 4.506 -13.046 -2.372) 14.005 8.233 ( -3.210 6.855 3.020) 8.149 8.344 ( -3.651 -4.575 3.014) 6.584 28.894 ( 0.626 52.952 -0.720) 52.960 29.139 ( 4.205 23.317 0.637) 23.702 29.453 ( 2.903 -15.101 -0.351) 15.381 30.126 ( -1.067 -59.339 -0.725) 59.353 95.860 ( -0.990 17.277 -0.418) 17.310 96.176 ( -0.800 -15.360 -0.079) 15.381 ======================= Grid point 97 (56/504) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.000 0.550 0.000) 0.550 2.882 ( -0.000 -0.222 -0.000) 0.222 3.543 ( 0.000 1.514 0.000) 1.514 3.548 ( -0.000 0.981 -0.000) 0.981 4.483 ( -0.000 2.819 0.000) 2.819 4.519 ( 0.000 -1.009 0.000) 1.009 4.927 ( 0.000 -1.341 0.000) 1.341 4.939 ( -0.000 -2.371 0.000) 2.371 5.561 ( 0.000 3.831 0.000) 3.831 5.715 ( 0.000 -12.007 0.000) 12.007 8.214 ( 0.000 6.714 0.000) 6.714 8.321 ( 0.000 -4.276 0.000) 4.276 28.896 ( 0.000 54.963 0.000) 54.963 29.181 ( 0.000 23.855 0.000) 23.855 29.478 ( 0.000 -17.331 0.000) 17.331 30.114 ( 0.000 -59.449 0.000) 59.449 95.849 ( 0.000 17.452 0.000) 17.452 96.168 ( 0.000 -15.467 0.000) 15.467 ======================= Grid point 195 (57/504) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 3.941 0.000 17.642) 18.077 0.583 ( 0.216 0.000 29.617) 29.618 0.895 ( 4.427 0.000 45.575) 45.789 2.345 ( -0.536 0.000 -1.700) 1.783 3.704 ( -0.072 0.000 -4.677) 4.678 4.539 ( 0.352 0.000 -1.945) 1.976 4.821 ( -0.291 0.000 1.140) 1.176 4.950 ( -0.596 0.000 -3.275) 3.329 5.298 ( 0.226 0.000 0.784) 0.816 7.305 ( 0.457 0.000 -6.099) 6.116 8.078 ( -0.780 0.000 5.839) 5.891 9.277 ( -0.491 0.000 -2.893) 2.934 24.669 ( 0.006 0.000 0.881) 0.881 27.379 ( -0.042 0.000 0.092) 0.101 29.665 ( -0.107 0.000 0.356) 0.372 35.145 ( 0.022 0.000 -2.057) 2.057 94.125 ( -0.051 0.000 0.019) 0.055 98.295 ( 0.202 0.000 -0.518) 0.556 ======================= Grid point 196 (58/504) ======================= q-point: ( 0.07 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 30.606 0.000 13.796) 33.572 0.960 ( 17.399 0.000 23.398) 29.158 1.369 ( 17.025 0.000 37.857) 41.509 2.547 ( 22.525 0.000 -1.906) 22.605 3.656 ( -1.055 0.000 -6.039) 6.130 4.526 ( -0.870 0.000 -7.242) 7.295 4.779 ( -4.046 0.000 1.675) 4.379 4.853 ( -2.845 0.000 0.907) 2.986 5.377 ( 4.837 0.000 -0.191) 4.841 7.300 ( 2.134 0.000 -7.290) 7.596 8.156 ( 3.266 0.000 1.975) 3.817 9.175 ( -6.946 0.000 -1.645) 7.138 24.673 ( -0.267 0.000 1.121) 1.152 27.386 ( 0.713 0.000 0.104) 0.721 29.810 ( 11.406 0.000 -6.452) 13.104 35.074 ( -5.059 0.000 -0.880) 5.135 94.123 ( -0.134 0.000 -0.027) 0.137 97.968 ( -25.105 0.000 15.359) 29.431 ======================= Grid point 197 (59/504) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 20.662 0.000 18.023) 27.418 1.490 ( 16.132 0.000 25.781) 30.412 2.030 ( 33.100 0.000 15.685) 36.628 3.038 ( 30.131 0.000 0.486) 30.135 3.588 ( -1.434 0.000 -6.709) 6.860 4.364 ( -7.047 0.000 -14.823) 16.413 4.794 ( -0.650 0.000 2.476) 2.560 4.859 ( 4.396 0.000 6.318) 7.697 5.442 ( 2.685 0.000 -0.689) 2.772 7.269 ( 0.394 0.000 -7.809) 7.819 8.204 ( 0.915 0.000 1.460) 1.724 9.023 ( -8.605 0.000 -1.894) 8.811 24.675 ( -0.512 0.000 1.238) 1.340 27.405 ( 1.287 0.000 0.133) 1.294 29.942 ( 8.364 0.000 -5.816) 10.188 34.965 ( -6.180 0.000 -1.190) 6.293 94.121 ( -0.116 0.000 -0.093) 0.149 97.704 ( -16.451 0.000 13.633) 21.366 ======================= Grid point 198 (60/504) ======================= q-point: ( 0.21 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 13.444 0.000 24.417) 27.874 1.945 ( 18.698 0.000 17.893) 25.880 2.687 ( 31.478 0.000 1.567) 31.517 3.509 ( 0.368 0.000 -5.608) 5.620 3.588 ( 25.092 0.000 4.870) 25.560 4.105 ( -9.188 0.000 -16.713) 19.072 4.758 ( -3.270 0.000 1.064) 3.439 5.103 ( 15.183 0.000 8.729) 17.514 5.465 ( 0.706 0.000 -0.973) 1.202 7.217 ( 0.872 0.000 -9.807) 9.846 8.209 ( -1.680 0.000 1.801) 2.463 8.844 ( -9.635 0.000 -1.554) 9.760 24.672 ( -0.689 0.000 1.198) 1.382 27.432 ( 1.604 0.000 0.152) 1.611 30.042 ( 6.744 0.000 -4.123) 7.905 34.838 ( -6.740 0.000 -1.469) 6.898 94.118 ( -0.076 0.000 -0.127) 0.148 97.533 ( -11.974 0.000 9.607) 15.352 ======================= Grid point 199 (61/504) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 11.136 0.000 23.731) 26.214 2.382 ( 17.575 0.000 12.874) 21.785 3.153 ( 21.939 0.000 -6.028) 22.752 3.446 ( -1.131 0.000 -5.863) 5.971 3.807 ( -10.382 0.000 -17.006) 19.924 4.067 ( 18.981 0.000 10.770) 21.824 4.712 ( -1.996 0.000 1.495) 2.494 5.415 ( 4.533 0.000 -3.019) 5.446 5.541 ( 16.250 0.000 10.033) 19.098 7.171 ( 2.875 0.000 -12.705) 13.026 8.160 ( -5.639 0.000 2.082) 6.011 8.667 ( -8.890 0.000 -0.341) 8.896 24.667 ( -0.769 0.000 0.994) 1.256 27.463 ( 1.597 0.000 0.151) 1.605 30.130 ( 5.559 0.000 -2.685) 6.174 34.709 ( -6.332 0.000 -1.409) 6.487 94.116 ( -0.029 0.000 -0.113) 0.117 97.398 ( -9.282 0.000 6.342) 11.242 ======================= Grid point 200 (62/504) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 10.429 0.000 18.631) 21.352 2.746 ( 13.594 0.000 9.933) 16.837 3.383 ( 0.847 0.000 -4.811) 4.885 3.417 ( 8.932 0.000 -6.458) 11.022 3.504 ( -9.165 0.000 -14.549) 17.195 4.346 ( 3.824 0.000 5.726) 6.886 4.769 ( 6.505 0.000 6.415) 9.136 5.395 ( -1.037 0.000 -2.735) 2.924 5.984 ( 21.174 0.000 8.320) 22.750 7.151 ( 5.820 0.000 -14.728) 15.836 8.030 ( -10.413 0.000 2.890) 10.806 8.531 ( -6.221 0.000 0.539) 6.244 24.659 ( -0.737 0.000 0.659) 0.988 27.490 ( 1.265 0.000 0.131) 1.272 30.204 ( 4.213 0.000 -1.461) 4.459 34.598 ( -4.814 0.000 -1.104) 4.939 94.116 ( 0.017 0.000 -0.054) 0.057 97.287 ( -6.902 0.000 3.754) 7.857 ======================= Grid point 201 (63/504) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 1.438 0.000 4.334) 4.567 2.974 ( 5.728 0.000 3.163) 6.543 3.277 ( -1.671 0.000 1.104) 2.003 3.342 ( -0.903 0.000 -2.777) 2.920 3.560 ( 7.319 0.000 -4.352) 8.516 4.359 ( -2.123 0.000 1.310) 2.495 4.947 ( 4.663 0.000 7.853) 9.133 5.364 ( -0.620 0.000 -1.405) 1.536 6.333 ( 10.934 0.000 2.361) 11.185 7.210 ( 12.157 0.000 -11.266) 16.575 7.844 ( -12.287 0.000 4.314) 13.022 8.445 ( -3.666 0.000 0.142) 3.668 24.650 ( -0.594 0.000 0.267) 0.651 27.508 ( 0.671 0.000 0.099) 0.679 30.259 ( 2.589 0.000 -0.407) 2.621 34.526 ( -2.374 0.000 -0.684) 2.471 94.116 ( 0.049 0.000 0.035) 0.061 97.203 ( -4.418 0.000 1.666) 4.722 ======================= Grid point 202 (64/504) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -14.195 0.000 -12.099) 18.652 3.015 ( -4.477 0.000 -0.191) 4.481 3.346 ( 2.935 0.000 0.500) 2.977 3.468 ( 10.867 0.000 13.972) 17.701 3.643 ( 4.352 0.000 -1.260) 4.531 4.338 ( -0.717 0.000 0.711) 1.010 4.988 ( -5.562 0.000 4.732) 7.302 5.362 ( 1.059 0.000 0.087) 1.062 6.366 ( -5.343 0.000 -5.149) 7.421 7.424 ( 13.301 0.000 -5.132) 14.257 7.695 ( -4.983 0.000 6.829) 8.454 8.397 ( -1.352 0.000 -1.095) 1.740 24.642 ( -0.362 0.000 -0.090) 0.373 27.515 ( -0.063 0.000 0.068) 0.092 30.290 ( 0.804 0.000 0.457) 0.925 34.506 ( 0.554 0.000 -0.270) 0.616 94.118 ( 0.062 0.000 0.129) 0.143 97.152 ( -1.903 0.000 -0.022) 1.903 ======================= Grid point 203 (65/504) ======================= q-point: (-0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -17.314 0.000 -12.568) 21.395 2.829 ( -14.005 0.000 -2.505) 14.228 3.423 ( 4.180 0.000 1.329) 4.386 3.688 ( 1.669 0.000 2.734) 3.203 3.792 ( 12.728 0.000 11.524) 17.170 4.321 ( -3.332 0.000 0.289) 3.344 4.828 ( -12.418 0.000 0.901) 12.451 5.399 ( 2.185 0.000 1.182) 2.484 6.125 ( -16.211 0.000 -5.229) 17.034 7.421 ( -5.049 0.000 -3.048) 5.897 7.900 ( 15.563 0.000 7.749) 17.386 8.382 ( 1.358 0.000 -2.933) 3.232 24.636 ( -0.082 0.000 -0.328) 0.338 27.507 ( -0.789 0.000 0.049) 0.791 30.294 ( -0.912 0.000 1.097) 1.426 34.541 ( 3.401 0.000 0.028) 3.401 94.120 ( 0.056 0.000 0.202) 0.209 97.133 ( 0.369 0.000 -1.357) 1.407 ======================= Grid point 204 (66/504) ======================= q-point: (-0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -19.412 0.000 -12.065) 22.856 2.501 ( -19.872 0.000 -3.071) 20.108 3.505 ( 3.855 0.000 1.425) 4.110 3.696 ( -4.929 0.000 5.929) 7.710 4.022 ( -7.278 0.000 -1.741) 7.483 4.189 ( 0.380 0.000 7.286) 7.296 4.677 ( -2.537 0.000 -0.186) 2.543 5.441 ( 1.149 0.000 0.973) 1.506 5.740 ( -22.713 0.000 -2.765) 22.881 7.317 ( -3.609 0.000 -2.725) 4.522 8.204 ( 8.971 0.000 9.045) 12.740 8.425 ( 8.265 0.000 -5.325) 9.832 24.634 ( 0.188 0.000 -0.400) 0.442 27.488 ( -1.362 0.000 0.049) 1.363 30.274 ( -2.282 0.000 1.482) 2.721 34.624 ( 5.592 0.000 0.129) 5.593 94.122 ( 0.037 0.000 0.232) 0.235 97.144 ( 2.076 0.000 -2.295) 3.095 ======================= Grid point 205 (67/504) ======================= q-point: (-0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -21.090 0.000 -10.683) 23.641 2.082 ( -24.109 0.000 -2.638) 24.253 3.398 ( -36.085 0.000 3.941) 36.299 3.581 ( 3.188 0.000 0.941) 3.323 3.725 ( -8.397 0.000 -4.634) 9.591 4.438 ( 11.909 0.000 8.231) 14.477 4.690 ( 2.498 0.000 -0.055) 2.499 5.282 ( -23.699 0.000 -1.602) 23.753 5.456 ( -1.699 0.000 0.128) 1.704 7.265 ( -0.487 0.000 -1.451) 1.530 8.309 ( 0.319 0.000 3.638) 3.652 8.629 ( 14.115 0.000 -1.165) 14.163 24.637 ( 0.388 0.000 -0.306) 0.494 27.460 ( -1.671 0.000 0.065) 1.672 30.235 ( -3.053 0.000 1.512) 3.407 34.737 ( 6.687 0.000 0.013) 6.687 94.124 ( 0.012 0.000 0.210) 0.211 97.173 ( 2.953 0.000 -2.519) 3.882 ======================= Grid point 206 (68/504) ======================= q-point: (-0.21 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -22.039 0.000 -6.112) 22.870 1.606 ( -27.231 0.000 -0.769) 27.242 2.653 ( -45.197 0.000 -0.977) 45.208 3.478 ( -18.070 0.000 0.256) 18.072 3.655 ( 2.730 0.000 0.309) 2.748 4.674 ( 9.033 0.000 2.674) 9.420 4.745 ( 3.839 0.000 0.442) 3.864 4.888 ( -17.512 0.000 -0.613) 17.522 5.409 ( -3.334 0.000 -0.557) 3.380 7.276 ( 1.808 0.000 0.660) 1.925 8.320 ( -0.291 0.000 0.557) 0.628 8.858 ( 11.159 0.000 0.201) 11.161 24.644 ( 0.470 0.000 -0.079) 0.477 27.430 ( -1.659 0.000 0.091) 1.661 30.187 ( -3.096 0.000 0.682) 3.171 34.858 ( 6.490 0.000 -0.170) 6.493 94.126 ( -0.012 0.000 0.138) 0.139 97.214 ( 2.933 0.000 -0.791) 3.037 ======================= Grid point 207 (69/504) ======================= q-point: (-0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -19.714 0.000 9.551) 21.906 1.105 ( -28.924 0.000 4.054) 29.206 1.796 ( -48.624 0.000 -0.351) 48.625 3.052 ( -27.726 0.000 0.511) 27.731 3.701 ( 2.346 0.000 -1.054) 2.572 4.665 ( -7.593 0.000 0.481) 7.608 4.765 ( 2.633 0.000 -1.211) 2.898 4.848 ( 6.092 0.000 -3.844) 7.204 5.347 ( -3.505 0.000 2.537) 4.327 7.326 ( 2.240 0.000 2.142) 3.099 8.306 ( -0.732 0.000 -3.081) 3.167 9.031 ( 7.699 0.000 1.240) 7.798 24.652 ( 0.420 0.000 0.229) 0.478 27.404 ( -1.333 0.000 0.118) 1.338 30.127 ( -3.149 0.000 -3.286) 4.551 34.964 ( 5.267 0.000 0.255) 5.273 94.126 ( -0.031 0.000 0.036) 0.047 97.286 ( 3.716 0.000 8.076) 8.890 ======================= Grid point 208 (70/504) ======================= q-point: (-0.07 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -6.772 0.000 34.004) 34.672 0.668 ( -24.591 0.000 16.858) 29.814 0.937 ( -46.300 0.000 7.516) 46.906 2.577 ( -22.246 0.000 -0.303) 22.248 3.720 ( 1.223 0.000 -2.857) 3.108 4.581 ( -2.851 0.000 -1.021) 3.028 4.793 ( 1.882 0.000 -0.634) 1.986 4.886 ( 3.758 0.000 -5.534) 6.689 5.332 ( -1.887 0.000 4.604) 4.976 7.362 ( 0.003 0.000 -0.788) 0.788 8.212 ( -6.694 0.000 -8.543) 10.854 9.176 ( 7.406 0.000 3.834) 8.340 24.661 ( 0.251 0.000 0.565) 0.619 27.385 ( -0.764 0.000 0.120) 0.773 29.960 ( -12.049 0.000 -14.774) 19.065 35.063 ( 5.483 0.000 2.392) 5.982 94.125 ( -0.018 0.000 0.004) 0.018 97.620 ( 25.548 0.000 34.559) 42.977 ======================= Grid point 209 (71/504) ======================= q-point: ( 0.00 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 6.460 15.971 15.780) 23.363 0.689 ( 0.007 25.997 9.209) 27.580 1.391 ( 0.823 36.120 34.293) 49.813 2.420 ( -0.519 7.572 -1.763) 7.791 3.759 ( -0.035 4.483 -4.028) 6.028 4.517 ( 0.275 -2.208 -1.822) 2.876 4.697 ( -0.611 -5.681 -10.533) 11.983 5.234 ( -2.225 12.045 -2.614) 12.525 5.277 ( 2.035 -1.819 0.678) 2.813 6.915 ( 0.053 -19.785 6.300) 20.764 8.091 ( -0.535 4.137 -8.584) 9.544 9.464 ( -0.198 6.259 6.394) 8.950 25.057 ( -0.009 26.218 -12.370) 28.990 27.412 ( -0.050 3.448 0.109) 3.450 29.633 ( -0.071 -3.266 0.350) 3.286 34.924 ( 0.040 -20.138 0.644) 20.148 94.782 ( -0.089 38.406 -35.732) 52.458 97.870 ( 0.122 -27.663 21.986) 35.336 ======================= Grid point 210 (72/504) ======================= q-point: ( 0.07 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 15.407 2.135 20.450) 25.693 1.112 ( 22.859 15.404 13.957) 30.897 1.766 ( 14.827 30.818 29.695) 45.292 2.608 ( 21.216 6.260 -1.920) 22.204 3.706 ( -1.673 4.486 -5.902) 7.600 4.501 ( -1.570 -2.713 -8.669) 9.219 4.632 ( 0.973 -6.576 -1.437) 6.801 5.099 ( -6.222 13.100 -0.288) 14.506 5.368 ( 4.319 -0.550 0.070) 4.355 7.035 ( 8.097 -20.959 -4.554) 22.926 8.080 ( 2.317 -0.917 -2.093) 3.254 9.372 ( -11.058 10.949 3.764) 16.011 24.942 ( -3.891 23.560 -4.153) 24.238 27.420 ( 0.854 3.579 0.122) 3.682 29.746 ( 9.811 -5.684 -3.378) 11.831 34.885 ( -3.822 -18.841 -0.569) 19.233 94.499 ( -7.631 29.625 -14.576) 33.887 97.794 ( -16.617 -15.114 16.952) 28.141 ======================= Grid point 211 (73/504) ======================= q-point: ( 0.14 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 19.020 -4.924 20.174) 28.161 1.607 ( 18.834 10.201 19.320) 28.845 2.302 ( 25.836 22.928 15.429) 37.832 3.071 ( 28.287 3.479 0.482) 28.504 3.628 ( -1.743 3.826 -6.934) 8.109 4.330 ( -6.575 -3.283 -14.594) 16.340 4.725 ( 6.755 -3.539 3.305) 8.311 5.024 ( -2.792 11.707 2.549) 12.302 5.427 ( 2.311 -1.423 -0.341) 2.735 7.098 ( 4.815 -16.154 -9.784) 19.490 8.115 ( 1.433 -4.099 1.009) 4.458 9.174 ( -12.737 10.388 2.247) 16.589 24.874 ( -2.268 19.403 -0.503) 19.542 27.443 ( 1.558 3.975 0.147) 4.271 29.886 ( 8.589 -5.340 -4.259) 10.974 34.792 ( -5.607 -17.697 -1.260) 18.607 94.331 ( -4.203 19.199 -4.917) 20.260 97.619 ( -13.790 -8.284 12.930) 20.639 ======================= Grid point 212 (74/504) ======================= q-point: ( 0.21 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 17.056 -5.875 19.698) 26.710 2.059 ( 16.320 8.058 19.672) 26.800 2.849 ( 26.524 14.888 2.447) 30.514 3.495 ( 5.268 -1.170 -2.306) 5.869 3.632 ( 17.899 4.163 0.301) 18.380 4.088 ( -8.247 -1.439 -15.772) 17.856 4.828 ( 0.695 5.371 0.287) 5.423 5.111 ( 10.946 1.623 7.898) 13.595 5.448 ( 0.539 -1.735 -0.767) 1.972 7.094 ( 3.847 -12.146 -12.401) 17.779 8.132 ( -1.233 -4.790 2.774) 5.671 8.954 ( -12.667 8.257 1.007) 15.154 24.841 ( -1.484 17.039 0.471) 17.110 27.477 ( 1.949 4.557 0.162) 4.958 30.001 ( 7.220 -4.088 -3.413) 8.971 34.673 ( -6.343 -16.965 -1.545) 18.178 94.255 ( -2.046 13.270 -1.946) 13.567 97.475 ( -10.849 -5.873 9.064) 15.309 ======================= Grid point 213 (75/504) ======================= q-point: ( 0.29 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 14.527 -5.214 18.554) 24.134 2.465 ( 14.731 6.370 16.412) 22.955 3.253 ( 18.785 9.299 -5.072) 21.565 3.444 ( -1.549 -0.368 -6.628) 6.816 3.811 ( -8.936 0.067 -14.055) 16.655 4.051 ( 17.284 -0.340 7.044) 18.667 4.809 ( -1.464 8.666 1.611) 8.935 5.395 ( 4.854 -2.222 -1.936) 5.679 5.512 ( 14.842 -2.672 8.790) 17.456 7.078 ( 4.984 -9.388 -14.581) 18.044 8.099 ( -5.177 -4.363 3.781) 7.755 8.741 ( -11.273 5.885 0.608) 12.731 24.822 ( -1.141 15.838 0.633) 15.892 27.513 ( 1.949 5.212 0.160) 5.567 30.101 ( 6.002 -2.958 -2.342) 7.090 34.549 ( -6.006 -16.368 -1.465) 17.496 94.220 ( -0.984 10.281 -0.884) 10.366 97.351 ( -8.646 -4.705 6.005) 11.531 ======================= Grid point 214 (76/504) ======================= q-point: ( 0.36 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 12.501 -4.314 15.288) 20.214 2.806 ( 11.501 4.685 12.256) 17.448 3.338 ( -3.173 -3.351 -8.591) 9.752 3.470 ( 5.259 4.689 -6.576) 9.638 3.585 ( -2.462 7.051 -8.543) 11.347 4.307 ( 5.523 -2.864 3.840) 7.311 4.854 ( 4.125 7.444 6.010) 10.418 5.379 ( -0.995 -1.662 -2.476) 3.143 5.931 ( 20.151 -5.246 7.621) 22.173 7.082 ( 7.454 -7.100 -15.415) 18.536 7.992 ( -9.786 -3.092 4.411) 11.171 8.569 ( -8.137 3.235 0.619) 8.778 24.808 ( -0.895 15.251 0.477) 15.285 27.547 ( 1.551 5.814 0.142) 6.019 30.183 ( 4.534 -2.116 -1.310) 5.172 34.443 ( -4.565 -15.873 -1.136) 16.556 94.203 ( -0.420 8.824 -0.400) 8.843 97.248 ( -6.499 -3.976 3.568) 8.414 ======================= Grid point 215 (77/504) ======================= q-point: ( 0.43 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 4.256 -3.026 4.489) 6.887 2.984 ( 1.294 0.455 1.016) 1.707 3.254 ( 2.966 -0.858 3.231) 4.469 3.389 ( -3.480 3.567 -3.563) 6.127 3.643 ( 6.169 7.803 -2.987) 10.385 4.347 ( -0.595 -1.019 0.785) 1.418 4.986 ( 3.271 3.736 6.956) 8.547 5.349 ( -0.627 -1.509 -1.393) 2.147 6.259 ( 10.353 -7.294 2.001) 12.822 7.163 ( 12.999 -5.214 -11.291) 17.990 7.822 ( -12.060 -1.734 5.027) 13.180 8.458 ( -4.623 1.096 0.182) 4.754 24.796 ( -0.620 15.028 0.198) 15.042 27.569 ( 0.832 6.239 0.113) 6.295 30.243 ( 2.731 -1.641 -0.381) 3.208 34.375 ( -2.231 -15.526 -0.691) 15.701 94.197 ( -0.075 8.210 -0.110) 8.211 97.169 ( -4.182 -3.495 1.594) 5.679 ======================= Grid point 216 (78/504) ======================= q-point: (-0.50 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -13.441 -0.789 -11.693) 17.833 3.019 ( -3.411 0.240 0.788) 3.509 3.344 ( 1.241 0.188 -0.528) 1.361 3.470 ( 10.662 0.187 12.848) 16.697 3.721 ( 3.836 7.293 -0.265) 8.245 4.345 ( 0.149 0.734 0.850) 1.133 5.012 ( -5.326 2.377 3.978) 7.059 5.345 ( 0.937 -1.688 -0.118) 1.934 6.296 ( -4.617 -6.886 -4.468) 9.418 7.382 ( 14.053 -5.434 -5.329) 15.982 7.670 ( -6.457 -1.373 6.742) 9.436 8.401 ( -1.420 0.330 -1.005) 1.771 24.789 ( -0.279 15.067 -0.077) 15.070 27.577 ( -0.065 6.396 0.086) 6.397 30.275 ( 0.727 -1.593 0.391) 1.795 34.356 ( 0.573 -15.373 -0.255) 15.386 94.198 ( 0.198 8.165 0.101) 8.168 97.120 ( -1.809 -3.220 -0.008) 3.693 ======================= Grid point 217 (79/504) ======================= q-point: (-0.43 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -16.560 0.914 -11.900) 20.413 2.840 ( -14.178 1.087 -2.607) 14.456 3.401 ( 3.967 -1.662 0.517) 4.331 3.743 ( 5.542 2.839 7.960) 10.106 3.805 ( 8.247 3.338 6.626) 11.093 4.342 ( -3.050 2.007 0.841) 3.747 4.866 ( -10.528 3.756 0.285) 11.181 5.377 ( 1.914 -2.237 0.802) 3.051 6.075 ( -15.377 -5.003 -4.633) 16.821 7.400 ( -4.920 -2.773 -2.848) 6.325 7.836 ( 14.353 -5.738 7.546) 17.201 8.391 ( 1.857 0.692 -3.045) 3.633 24.786 ( 0.127 15.344 -0.254) 15.347 27.568 ( -0.955 6.251 0.070) 6.324 30.275 ( -1.231 -2.012 0.958) 2.545 34.391 ( 3.296 -15.434 0.061) 15.782 94.206 ( 0.526 8.676 0.274) 8.696 97.103 ( 0.340 -3.130 -1.276) 3.397 ======================= Grid point 218 (80/504) ======================= q-point: (-0.36 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -18.334 3.130 -11.078) 21.648 2.506 ( -20.052 0.663 -3.533) 20.372 3.475 ( 3.527 -2.238 0.792) 4.251 3.775 ( -4.429 7.081 6.338) 10.485 4.031 ( -1.768 0.654 1.492) 2.404 4.198 ( -4.351 1.206 4.550) 6.410 4.751 ( -0.538 7.143 -0.377) 7.173 5.409 ( 0.629 -3.178 0.460) 3.272 5.708 ( -21.755 -3.159 -2.418) 22.116 7.292 ( -4.232 -2.663 -2.314) 5.510 8.136 ( 10.541 -6.510 10.025) 15.937 8.431 ( 6.884 0.537 -6.688) 9.613 24.790 ( 0.598 15.909 -0.284) 15.923 27.545 ( -1.657 5.835 0.071) 6.066 30.245 ( -2.878 -2.922 1.281) 4.296 34.471 ( 5.385 -15.695 0.173) 16.594 94.223 ( 1.102 9.990 0.422) 10.060 97.112 ( 1.957 -3.191 -2.159) 4.322 ======================= Grid point 219 (81/504) ======================= q-point: (-0.29 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -19.165 6.585 -9.424) 22.349 2.082 ( -24.098 0.470 -3.073) 24.298 3.471 ( -27.299 5.958 4.534) 28.307 3.551 ( -4.705 -0.518 -1.472) 4.957 3.810 ( -6.115 7.180 -2.404) 9.732 4.412 ( 11.363 -2.596 7.930) 14.098 4.799 ( 4.507 10.236 0.220) 11.187 5.252 ( -22.161 -3.086 -1.571) 22.429 5.430 ( -2.699 -2.460 -0.141) 3.655 7.225 ( -1.865 -3.991 -1.210) 4.569 8.308 ( 1.677 -0.588 8.342) 8.529 8.573 ( 13.407 -4.871 -6.163) 15.539 24.805 ( 1.210 16.939 -0.169) 16.983 27.512 ( -2.034 5.237 0.087) 5.619 30.191 ( -4.049 -4.401 1.262) 6.112 34.580 ( 6.420 -16.102 0.061) 17.335 94.256 ( 2.358 12.766 0.527) 12.993 97.140 ( 2.788 -3.347 -2.352) 4.951 ======================= Grid point 220 (82/504) ======================= q-point: (-0.21 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -18.390 11.906 -5.885) 22.684 1.609 ( -26.644 1.520 -0.449) 26.691 2.801 ( -40.795 13.966 -0.795) 43.127 3.465 ( -13.133 -0.739 0.158) 13.155 3.723 ( -1.519 6.223 0.486) 6.424 4.643 ( 9.631 -3.136 2.763) 10.499 4.869 ( -14.486 -0.202 -2.487) 14.700 4.895 ( 2.736 11.859 2.372) 12.399 5.377 ( -3.298 -3.092 -0.646) 4.566 7.201 ( -0.968 -7.090 0.568) 7.178 8.354 ( 0.234 3.305 1.593) 3.676 8.782 ( 11.856 -7.111 -0.878) 13.853 24.835 ( 2.315 18.864 -0.014) 19.005 27.475 ( -2.018 4.579 0.112) 5.005 30.117 ( -4.941 -6.706 0.528) 8.347 34.696 ( 6.221 -16.571 -0.142) 17.701 94.325 ( 5.511 18.431 0.307) 19.239 97.179 ( 2.784 -3.541 -0.725) 4.562 ======================= Grid point 221 (83/504) ======================= q-point: (-0.14 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -15.549 16.230 -0.779) 22.490 1.150 ( -25.150 7.763 7.578) 27.390 2.051 ( -41.136 22.473 0.815) 46.882 3.089 ( -25.974 3.715 0.460) 26.242 3.738 ( 2.016 3.747 -0.849) 4.339 4.648 ( -7.767 -1.444 -0.317) 7.906 4.780 ( 6.478 -2.852 -6.765) 9.791 4.997 ( 5.489 15.059 1.255) 16.077 5.319 ( -3.234 -2.728 2.804) 5.076 7.173 ( -4.114 -12.849 1.873) 13.621 8.337 ( -0.541 3.352 -7.260) 8.014 8.994 ( 10.258 -3.619 6.307) 12.574 24.896 ( 5.086 22.410 -0.494) 22.985 27.443 ( -1.619 3.992 0.135) 4.310 30.010 ( -7.017 -10.100 -1.940) 12.451 34.797 ( 4.985 -17.066 0.046) 17.780 94.483 ( 13.870 29.013 -2.816) 32.281 97.245 ( 3.260 -4.106 6.832) 8.612 ======================= Grid point 222 (84/504) ======================= q-point: (-0.07 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -11.017 14.920 4.842) 19.168 0.877 ( -16.172 20.417 14.985) 30.049 1.425 ( -28.373 35.048 14.181) 47.270 2.640 ( -21.057 6.370 -0.421) 22.004 3.763 ( 1.638 3.954 -2.094) 4.765 4.554 ( -3.007 -2.215 -0.919) 3.846 4.776 ( 2.067 -3.375 -14.547) 15.076 5.118 ( 7.500 14.180 0.527) 16.050 5.312 ( -1.578 -1.932 5.212) 5.778 7.040 ( -12.727 -19.205 3.529) 23.308 8.221 ( -3.165 3.365 -14.751) 15.458 9.262 ( 11.671 2.598 12.519) 17.311 25.016 ( 9.730 26.127 -5.847) 28.486 27.420 ( -0.926 3.586 0.132) 3.706 29.808 ( -12.708 -10.310 -4.649) 17.012 34.878 ( 3.505 -18.269 1.208) 18.641 94.771 ( 23.716 38.992 -22.825) 51.027 97.477 ( 12.507 -11.240 26.461) 31.352 ======================= Grid point 223 (85/504) ======================= q-point: ( 0.00 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 4.772 29.043 -3.197) 29.605 1.220 ( -0.440 27.784 5.290) 28.286 2.130 ( -0.076 38.759 27.598) 47.581 2.624 ( -0.556 12.988 -1.862) 13.132 3.867 ( -0.032 6.661 -3.809) 7.673 4.454 ( 0.209 -4.232 -1.480) 4.489 4.580 ( -0.420 -6.705 -15.295) 16.705 5.208 ( -0.873 -4.570 0.387) 4.668 5.343 ( 0.521 0.330 6.983) 7.010 6.705 ( 0.021 -4.684 -7.595) 8.924 8.221 ( -0.607 8.553 -12.284) 14.981 9.479 ( 0.066 -2.953 17.132) 17.384 25.578 ( -0.021 29.129 -7.481) 30.075 27.511 ( -0.067 6.707 0.155) 6.709 29.540 ( -0.007 -6.384 0.336) 6.393 34.396 ( 0.039 -34.264 -0.324) 34.266 95.302 ( -0.074 17.884 -27.623) 32.907 97.437 ( 0.064 -17.988 18.509) 25.810 ======================= Grid point 224 (86/504) ======================= q-point: ( 0.07 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.554 20.474 6.955) 22.097 1.490 ( 16.817 22.406 9.290) 29.515 2.412 ( 9.988 34.422 24.316) 43.311 2.781 ( 18.127 11.265 -1.629) 21.404 3.809 ( -2.282 5.886 -6.103) 8.781 4.417 ( -2.798 -5.682 -12.213) 13.757 4.526 ( 4.614 -4.836 -1.812) 6.925 5.219 ( 1.084 -0.907 -0.056) 1.414 5.384 ( 0.087 1.683 3.289) 3.696 6.703 ( 6.386 -11.811 -11.346) 17.578 8.150 ( -0.693 6.912 -5.040) 8.583 9.478 ( -10.588 0.613 12.498) 16.392 25.480 ( -4.485 31.343 -5.318) 32.106 27.523 ( 1.260 6.967 0.166) 7.082 29.615 ( 7.224 -7.733 -0.784) 10.611 34.368 ( -2.605 -34.133 -1.001) 34.247 95.021 ( -9.728 22.493 -19.411) 31.263 97.478 ( -7.454 -16.404 14.618) 23.202 ======================= Grid point 225 (87/504) ======================= q-point: ( 0.14 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 14.120 8.005 13.033) 20.816 1.876 ( 16.000 16.960 15.022) 27.736 2.798 ( 17.738 26.649 12.788) 34.472 3.173 ( 22.835 7.165 1.510) 23.981 3.718 ( -1.666 4.926 -8.216) 9.723 4.249 ( -4.991 -4.653 -13.701) 15.306 4.660 ( 9.592 -3.304 2.083) 10.357 5.216 ( -1.703 5.841 0.296) 6.092 5.401 ( 0.277 -0.471 1.049) 1.183 6.751 ( 8.278 -17.202 -14.548) 24.002 8.118 ( -1.479 3.889 0.730) 4.224 9.312 ( -14.959 3.364 8.527) 17.544 25.376 ( -3.858 31.453 -2.335) 31.775 27.557 ( 2.325 7.698 0.185) 8.044 29.753 ( 8.655 -8.099 -1.920) 12.008 34.293 ( -4.488 -33.334 -1.568) 33.671 94.751 ( -8.278 22.059 -9.972) 25.584 97.411 ( -9.009 -12.601 10.729) 18.843 ======================= Grid point 226 (88/504) ======================= q-point: ( 0.21 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 16.454 0.670 15.254) 22.447 2.262 ( 14.302 12.879 17.079) 25.732 3.188 ( 18.607 18.301 2.024) 26.178 3.479 ( 4.668 0.135 -1.497) 4.904 3.724 ( 11.930 4.484 -4.422) 13.490 4.067 ( -4.224 -0.048 -12.016) 12.737 4.882 ( 11.614 -0.317 1.901) 11.772 5.191 ( -0.170 5.505 3.197) 6.368 5.408 ( -0.018 -1.994 0.151) 2.000 6.793 ( 8.350 -17.517 -16.483) 25.461 8.094 ( -3.368 1.112 4.239) 5.527 9.081 ( -15.549 4.044 5.296) 16.917 25.308 ( -2.628 30.410 -0.767) 30.533 27.607 ( 2.925 8.769 0.196) 9.246 29.892 ( 8.186 -7.004 -2.015) 10.960 34.191 ( -5.344 -32.353 -1.769) 32.839 94.583 ( -5.069 19.230 -4.834) 20.465 97.316 ( -8.312 -10.156 7.590) 15.161 ======================= Grid point 227 (89/504) ======================= q-point: ( 0.29 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 15.669 -2.199 15.230) 21.962 2.619 ( 12.449 9.500 15.585) 22.093 3.392 ( -0.645 -1.071 -7.143) 7.252 3.499 ( 10.289 10.627 -5.518) 15.788 3.808 ( -2.966 0.387 -6.994) 7.607 4.092 ( 12.325 4.562 -0.134) 13.143 4.985 ( 0.035 8.149 1.047) 8.216 5.326 ( 5.420 -4.708 0.977) 7.245 5.457 ( 10.227 -2.689 5.197) 11.783 6.828 ( 8.711 -15.665 -17.035) 24.727 8.045 ( -6.212 -0.641 5.864) 8.567 8.839 ( -14.064 3.579 2.961) 14.811 25.266 ( -1.779 29.481 -0.127) 29.535 27.662 ( 2.941 9.972 0.191) 10.398 30.017 ( 7.057 -5.561 -1.576) 9.122 34.084 ( -5.128 -31.375 -1.619) 31.832 94.490 ( -2.765 16.807 -2.374) 17.198 97.221 ( -7.059 -8.582 5.087) 12.221 ======================= Grid point 228 (90/504) ======================= q-point: ( 0.36 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 13.846 -2.839 13.188) 19.331 2.911 ( 8.645 6.065 11.320) 15.481 3.270 ( -3.705 -3.430 -9.759) 10.988 3.560 ( -1.623 3.806 -4.987) 6.480 3.757 ( 4.039 10.525 -3.762) 11.884 4.276 ( 6.517 0.285 -0.516) 6.544 5.006 ( 1.094 7.257 4.595) 8.658 5.329 ( -0.824 -3.522 -1.710) 4.000 5.797 ( 17.359 -8.136 5.758) 20.017 6.880 ( 9.947 -13.537 -15.521) 22.871 7.947 ( -9.231 -0.853 6.033) 11.061 8.628 ( -10.782 2.444 1.527) 11.160 25.239 ( -1.172 28.930 0.056) 28.954 27.711 ( 2.358 11.069 0.171) 11.319 30.121 ( 5.337 -4.338 -0.954) 6.944 33.991 ( -3.886 -30.525 -1.223) 30.796 94.442 ( -1.310 15.316 -1.142) 15.414 97.136 ( -5.448 -7.465 3.055) 9.734 ======================= Grid point 229 (91/504) ======================= q-point: ( 0.43 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 6.603 -2.315 4.246) 8.184 2.981 ( -3.130 -0.789 -1.562) 3.586 3.263 ( 6.701 1.813 5.512) 8.864 3.458 ( -5.135 3.188 -3.356) 6.913 3.830 ( 4.523 10.771 -1.065) 11.731 4.334 ( 1.834 0.120 -0.880) 2.038 5.070 ( 1.029 4.142 4.896) 6.495 5.304 ( -0.664 -3.198 -1.232) 3.491 6.073 ( 9.130 -11.184 1.236) 14.490 6.991 ( 12.701 -12.700 -10.014) 20.564 7.805 ( -10.289 0.617 5.143) 11.520 8.480 ( -6.344 1.057 0.548) 6.455 25.223 ( -0.635 28.734 0.035) 28.741 27.746 ( 1.280 11.835 0.143) 11.905 30.193 ( 3.092 -3.613 -0.320) 4.766 33.932 ( -1.838 -29.923 -0.710) 29.988 94.422 ( -0.330 14.620 -0.445) 14.630 97.069 ( -3.549 -6.682 1.387) 7.692 ======================= Grid point 230 (92/504) ======================= q-point: (-0.50 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -11.553 0.128 -10.488) 15.605 3.021 ( -1.000 0.005 2.733) 2.910 3.358 ( -2.367 1.024 -1.615) 3.043 3.476 ( 9.811 0.511 10.121) 14.105 3.896 ( 2.913 10.162 0.997) 10.619 4.367 ( 2.027 1.609 0.996) 2.773 5.069 ( -4.479 3.037 2.282) 5.873 5.296 ( 0.596 -3.448 -0.534) 3.539 6.118 ( -3.153 -10.897 -3.141) 11.771 7.182 ( 11.494 -14.897 -2.744) 19.015 7.681 ( -5.313 2.641 3.772) 7.031 8.407 ( -1.734 0.279 -0.756) 1.912 25.217 ( -0.074 28.836 -0.039) 28.836 27.758 ( -0.074 12.108 0.119) 12.109 30.226 ( 0.537 -3.534 0.224) 3.582 33.917 ( 0.627 -29.658 -0.212) 29.665 94.423 ( 0.503 14.574 0.025) 14.582 97.028 ( -1.551 -6.214 0.023) 6.404 ======================= Grid point 231 (93/504) ======================= q-point: (-0.43 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -14.474 3.214 -9.724) 17.731 2.870 ( -13.762 2.006 -3.267) 14.286 3.373 ( 3.255 -1.252 -0.208) 3.493 3.741 ( 10.573 -1.395 11.505) 15.688 3.950 ( 1.709 9.571 2.780) 10.112 4.393 ( -2.051 3.276 1.686) 4.217 4.959 ( -6.403 5.180 -0.746) 8.270 5.314 ( 1.243 -4.208 -0.019) 4.388 5.941 ( -13.211 -8.386 -3.336) 15.999 7.270 ( -1.435 -11.726 0.160) 11.814 7.741 ( 9.021 -2.341 4.261) 10.247 8.402 ( 2.388 0.364 -2.991) 3.845 25.221 ( 0.570 29.199 -0.071) 29.205 27.745 ( -1.424 11.829 0.108) 11.914 30.215 ( -2.016 -4.161 0.612) 4.664 33.951 ( 3.009 -29.767 0.151) 29.919 94.442 ( 1.520 15.174 0.411) 15.255 97.014 ( 0.275 -6.045 -1.060) 6.144 ======================= Grid point 232 (94/504) ======================= q-point: (-0.36 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -15.343 7.468 -7.816) 18.769 2.536 ( -19.215 2.775 -5.226) 20.106 3.436 ( 3.496 -1.726 0.068) 3.900 3.930 ( -1.948 7.296 8.221) 11.163 4.036 ( 5.112 0.637 5.802) 7.759 4.251 ( -11.156 4.432 -0.832) 12.033 4.919 ( 3.147 9.052 -0.233) 9.586 5.323 ( -0.688 -5.444 -0.627) 5.523 5.625 ( -18.887 -5.204 -1.665) 19.662 7.199 ( -4.931 -7.628 -0.119) 9.084 7.986 ( 11.757 -7.644 7.987) 16.138 8.443 ( 5.626 0.556 -6.846) 8.878 25.238 ( 1.374 29.820 -0.018) 29.852 27.710 ( -2.487 11.059 0.113) 11.336 30.163 ( -4.271 -5.471 0.798) 6.987 34.024 ( 4.815 -30.226 0.291) 30.609 94.487 ( 3.166 16.571 0.773) 16.888 97.022 ( 1.652 -6.125 -1.802) 6.595 ======================= Grid point 233 (95/504) ======================= q-point: (-0.29 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -14.307 13.599 -5.484) 20.486 2.126 ( -21.920 4.605 -4.840) 22.915 3.488 ( 1.318 -1.399 0.565) 2.004 3.697 ( -27.238 11.999 1.472) 29.801 3.971 ( -4.986 8.975 -0.133) 10.268 4.341 ( 10.139 -4.566 6.654) 12.958 5.027 ( 7.085 11.627 1.188) 13.668 5.170 ( -17.920 -4.987 -1.930) 18.701 5.370 ( -5.051 -3.544 -0.452) 6.187 7.113 ( -4.448 -7.600 0.033) 8.806 8.247 ( 8.376 -6.072 13.810) 17.255 8.503 ( 8.784 -1.180 -13.025) 15.754 25.272 ( 2.512 30.704 0.097) 30.806 27.660 ( -3.054 9.963 0.132) 10.422 30.075 ( -6.091 -7.366 0.713) 9.585 34.122 ( 5.684 -30.945 0.183) 31.463 94.575 ( 6.181 18.966 1.028) 19.974 97.045 ( 2.366 -6.361 -1.927) 7.055 ======================= Grid point 234 (96/504) ======================= q-point: (-0.21 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -11.304 20.965 -5.853) 24.527 1.709 ( -21.421 9.322 0.762) 23.374 3.136 ( -32.697 19.397 -0.434) 38.020 3.461 ( -7.499 0.272 0.024) 7.504 3.872 ( -5.193 8.805 0.665) 10.243 4.555 ( 9.289 -5.922 2.380) 11.270 4.833 ( -15.737 -2.228 -0.923) 15.921 5.159 ( 5.980 12.044 1.366) 13.516 5.302 ( -3.214 -4.265 -0.649) 5.380 7.035 ( -4.632 -9.278 0.378) 10.377 8.431 ( 2.129 3.914 6.125) 7.574 8.621 ( 13.718 -8.306 -5.588) 16.982 25.333 ( 4.324 31.709 0.083) 32.003 27.605 ( -3.025 8.764 0.156) 9.273 29.954 ( -7.653 -9.552 0.218) 12.242 34.224 ( 5.475 -31.781 -0.075) 32.249 94.737 ( 11.690 22.029 0.470) 24.943 97.079 ( 2.395 -6.673 -0.571) 7.113 ======================= Grid point 235 (97/504) ======================= q-point: (-0.14 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -9.336 24.275 -12.852) 29.010 1.441 ( -12.973 20.935 13.465) 28.069 2.553 ( -31.139 27.780 2.248) 41.790 3.188 ( -21.064 6.199 0.345) 21.960 3.839 ( 1.110 6.407 -0.814) 6.553 4.612 ( -8.099 -2.154 -1.237) 8.471 4.687 ( 5.971 -6.314 -6.371) 10.775 5.239 ( 0.770 4.606 1.052) 4.787 5.259 ( -1.234 -0.035 3.730) 3.929 6.939 ( -6.223 -9.902 -0.584) 11.710 8.428 ( 1.256 5.645 -12.285) 13.578 8.902 ( 13.195 -5.379 13.385) 19.550 25.432 ( 6.876 31.977 -0.817) 32.718 27.557 ( -2.423 7.695 0.173) 8.069 29.800 ( -9.240 -10.905 -0.666) 14.309 34.312 ( 4.316 -32.610 -0.236) 32.895 95.008 ( 19.333 23.036 -4.121) 30.355 97.132 ( 2.472 -7.381 4.571) 9.027 ======================= Grid point 236 (98/504) ======================= q-point: (-0.07 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.550 29.847 -9.307) 31.303 1.345 ( -9.961 26.484 9.602) 29.881 2.131 ( -18.820 36.672 14.730) 43.772 2.812 ( -17.832 11.040 -0.421) 20.977 3.865 ( 2.148 6.439 -2.055) 7.092 4.498 ( -3.926 -3.523 -1.190) 5.407 4.679 ( 2.020 -6.427 -15.413) 16.821 5.237 ( -1.900 -1.822 1.731) 3.151 5.284 ( -0.405 -0.145 7.604) 7.616 6.807 ( -6.106 -6.257 -3.743) 9.510 8.333 ( -0.078 7.394 -16.642) 18.210 9.243 ( 10.477 -3.522 19.394) 22.322 25.551 ( 7.039 29.944 -4.208) 31.047 27.523 ( -1.374 6.961 0.169) 7.097 29.626 ( -8.480 -8.940 -0.712) 12.343 34.373 ( 2.500 -33.490 -0.139) 33.584 95.302 ( 18.108 18.199 -18.387) 31.578 97.257 ( 4.225 -11.244 14.952) 19.179 ======================= Grid point 237 (99/504) ======================= q-point: ( 0.00 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 4.768 31.251 -10.584) 33.337 1.747 ( -1.975 26.429 3.624) 26.749 2.851 ( 1.612 33.013 20.046) 38.656 2.907 ( -2.384 17.678 2.155) 17.968 4.009 ( 0.093 7.410 -6.396) 9.789 4.357 ( 0.151 -5.645 -1.064) 5.746 4.444 ( -0.275 -6.729 -15.209) 16.634 5.098 ( -0.830 -6.837 -0.012) 6.887 5.312 ( 0.288 -2.520 10.389) 10.694 6.638 ( 0.178 -3.887 -13.782) 14.321 8.403 ( -0.794 9.867 -10.797) 14.647 9.390 ( 0.282 -5.554 19.796) 20.562 26.221 ( -0.034 37.528 -4.054) 37.746 27.670 ( -0.074 9.596 0.211) 9.598 29.388 ( 0.062 -9.200 0.324) 9.206 33.607 ( 0.024 -46.754 -1.170) 46.769 95.567 ( -0.026 11.002 -16.609) 19.923 97.128 ( 0.037 -14.637 11.005) 18.312 ======================= Grid point 238 (100/504) ======================= q-point: ( 0.07 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -1.529 26.729 -2.910) 26.931 1.948 ( 13.096 24.237 5.117) 28.020 2.990 ( 9.993 16.541 0.591) 19.334 3.099 ( 9.181 28.953 19.349) 36.013 3.919 ( -3.197 4.498 -9.462) 10.953 4.307 ( -2.311 -4.653 -12.432) 13.474 4.434 ( 6.926 -4.593 -1.376) 8.423 5.141 ( 4.880 -6.159 -0.524) 7.875 5.379 ( -0.123 -2.037 7.713) 7.979 6.542 ( 1.618 -6.659 -17.721) 19.000 8.316 ( -2.891 9.742 -4.423) 11.083 9.434 ( -8.948 -4.327 16.281) 19.075 26.159 ( -3.162 38.979 -3.918) 39.302 27.688 ( 1.883 9.951 0.228) 10.130 29.447 ( 5.815 -9.668 0.042) 11.282 33.580 ( -1.869 -46.677 -1.645) 46.743 95.379 ( -7.191 15.380 -14.901) 22.590 97.170 ( -3.477 -15.354 9.915) 18.605 ======================= Grid point 239 (101/504) ======================= q-point: ( 0.14 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 6.641 18.579 3.401) 20.021 2.241 ( 12.978 20.124 10.394) 26.105 3.222 ( 14.054 12.335 -0.754) 18.715 3.410 ( 11.391 20.861 13.108) 27.143 3.795 ( -0.896 2.268 -12.494) 12.730 4.180 ( -2.464 -1.341 -10.070) 10.453 4.598 ( 11.322 -3.003 0.925) 11.749 5.222 ( 3.534 -3.618 -0.355) 5.070 5.406 ( -1.616 -0.557 4.104) 4.445 6.467 ( 4.914 -12.401 -19.616) 23.722 8.239 ( -4.597 8.056 1.423) 9.384 9.316 ( -14.391 -2.359 12.221) 19.027 26.072 ( -3.608 40.192 -2.684) 40.443 27.738 ( 3.468 10.912 0.250) 11.452 29.579 ( 8.565 -9.882 -0.572) 13.090 33.519 ( -3.343 -46.017 -2.005) 46.182 95.148 ( -8.084 18.679 -10.089) 22.716 97.149 ( -5.389 -14.150 7.689) 16.981 ======================= Grid point 240 (102/504) ======================= q-point: ( 0.21 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 12.048 9.710 8.382) 17.598 2.546 ( 11.494 15.970 13.238) 23.715 3.395 ( 4.047 0.515 -4.412) 6.009 3.608 ( 6.534 12.840 -3.108) 14.738 3.796 ( 7.582 4.927 -3.639) 9.747 4.113 ( 2.799 4.936 -6.229) 8.426 4.850 ( 14.743 -2.133 2.567) 15.116 5.245 ( -0.790 -0.706 -0.034) 1.060 5.387 ( -2.191 -0.379 2.221) 3.143 6.453 ( 8.433 -17.198 -19.460) 27.305 8.165 ( -6.253 5.863 5.176) 10.013 9.109 ( -16.026 -0.900 8.398) 18.115 25.998 ( -2.872 40.487 -1.550) 40.618 27.812 ( 4.370 12.301 0.258) 13.057 29.735 ( 9.088 -9.159 -0.879) 12.933 33.437 ( -4.077 -45.003 -2.076) 45.235 94.963 ( -6.077 19.529 -5.982) 21.309 97.093 ( -5.712 -12.663 5.586) 14.972 ======================= Grid point 241 (103/504) ======================= q-point: ( 0.29 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 14.026 3.521 10.963) 18.147 2.827 ( 9.445 11.748 12.667) 19.689 3.328 ( -3.184 -4.388 -9.685) 11.099 3.659 ( 1.614 3.225 -5.622) 6.679 3.895 ( 5.558 10.091 -2.092) 11.709 4.209 ( 9.256 6.962 -3.288) 12.039 5.084 ( 5.360 1.660 1.187) 5.735 5.237 ( 1.433 -3.720 0.906) 4.088 5.406 ( 5.055 -2.870 3.475) 6.773 6.493 ( 10.058 -18.538 -17.525) 27.422 8.080 ( -7.827 4.150 6.593) 11.043 8.873 ( -14.970 -0.037 5.213) 15.852 25.947 ( -2.004 40.380 -0.813) 40.437 27.894 ( 4.403 13.851 0.244) 14.537 29.886 ( 8.214 -7.975 -0.830) 11.479 33.350 ( -3.940 -43.891 -1.829) 44.105 94.844 ( -3.768 19.191 -3.334) 19.839 97.026 ( -5.173 -11.345 3.803) 13.036 ======================= Grid point 242 (104/504) ======================= q-point: ( 0.36 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 13.626 0.287 11.116) 17.587 3.027 ( 2.752 4.938 5.035) 7.570 3.218 ( 0.314 -1.095 -5.867) 5.976 3.605 ( -3.658 0.877 -2.709) 4.635 3.976 ( 4.832 11.625 -1.876) 12.729 4.322 ( 5.541 4.198 -4.433) 8.244 5.106 ( -0.742 2.631 2.742) 3.872 5.246 ( -0.710 -4.835 -0.600) 4.924 5.635 ( 13.455 -8.262 3.601) 16.195 6.569 ( 10.385 -18.161 -13.630) 24.969 7.974 ( -8.718 3.687 6.008) 11.212 8.656 ( -11.912 0.349 2.851) 12.253 25.913 ( -1.237 40.269 -0.385) 40.290 27.969 ( 3.540 15.254 0.208) 15.661 30.013 ( 6.272 -6.865 -0.576) 9.317 33.275 ( -2.954 -42.899 -1.340) 43.022 94.776 ( -1.925 18.668 -1.745) 18.848 96.963 ( -4.105 -10.250 2.314) 11.281 ======================= Grid point 243 (105/504) ======================= q-point: ( 0.43 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 7.947 -0.448 4.574) 9.180 2.958 ( -4.168 -1.449 -2.829) 5.242 3.318 ( 6.872 3.642 4.971) 9.231 3.501 ( -5.847 1.147 -2.503) 6.462 4.043 ( 3.258 10.964 0.261) 11.441 4.362 ( 2.794 2.752 -2.910) 4.883 5.120 ( -0.255 0.525 2.410) 2.480 5.227 ( -0.846 -4.653 -0.411) 4.747 5.849 ( 7.571 -11.457 0.476) 13.740 6.684 ( 10.440 -18.438 -7.250) 22.394 7.856 ( -7.816 4.649 3.940) 9.911 8.494 ( -7.369 0.264 1.133) 7.460 25.896 ( -0.538 40.295 -0.137) 40.299 28.020 ( 1.933 16.220 0.160) 16.336 30.100 ( 3.523 -6.175 -0.254) 7.114 33.229 ( -1.299 -42.196 -0.736) 42.223 94.746 ( -0.506 18.350 -0.761) 18.372 96.913 ( -2.703 -9.412 1.073) 9.851 ======================= Grid point 244 (106/504) ======================= q-point: (-0.50 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -9.057 2.203 -8.221) 12.429 3.019 ( 1.675 -0.240 4.482) 4.790 3.372 ( -4.838 0.292 -2.268) 5.351 3.492 ( 8.005 1.201 6.628) 10.462 4.098 ( 2.090 10.360 1.750) 10.712 4.412 ( 3.559 2.976 0.784) 4.705 5.106 ( -2.987 0.159 0.644) 3.060 5.214 ( 0.045 -4.792 -0.512) 4.819 5.895 ( -1.862 -11.628 -2.064) 11.956 6.834 ( 8.484 -20.257 -0.349) 21.964 7.764 ( -3.813 5.780 1.301) 7.046 8.410 ( -2.176 -0.067 -0.527) 2.240 25.892 ( 0.162 40.470 0.024) 40.470 28.038 ( -0.094 16.543 0.121) 16.543 30.134 ( 0.322 -6.092 0.032) 6.101 33.220 ( 0.698 -41.890 -0.156) 41.896 94.746 ( 0.772 18.334 -0.078) 18.351 96.882 ( -1.179 -8.872 0.045) 8.950 ======================= Grid point 245 (107/504) ======================= q-point: (-0.43 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -11.392 6.475 -5.753) 14.311 2.920 ( -11.230 3.293 -4.733) 12.624 3.348 ( 2.181 -1.393 0.230) 2.598 3.708 ( 9.372 -1.876 9.520) 13.491 4.143 ( 0.932 9.945 2.963) 10.419 4.467 ( -0.365 4.231 1.861) 4.637 5.038 ( -2.582 2.387 -1.044) 3.668 5.220 ( 0.647 -5.178 -0.483) 5.241 5.765 ( -10.415 -9.369 -2.158) 14.174 6.951 ( 2.506 -20.178 3.598) 20.649 7.761 ( 3.473 3.947 0.126) 5.259 8.403 ( 2.419 -0.288 -2.685) 3.626 25.902 ( 0.928 40.750 0.154) 40.760 28.018 ( -2.112 16.156 0.104) 16.294 30.111 ( -2.904 -6.670 0.219) 7.278 33.251 ( 2.609 -42.024 0.271) 42.105 94.774 ( 2.284 18.632 0.477) 18.777 96.871 ( 0.231 -8.636 -0.778) 8.674 ======================= Grid point 246 (108/504) ======================= q-point: (-0.36 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -11.279 12.080 -2.041) 16.653 2.624 ( -15.446 6.535 -8.363) 18.741 3.404 ( 3.320 -1.737 0.237) 3.755 3.945 ( 8.634 -3.428 10.415) 13.956 4.157 ( -3.230 9.456 4.365) 10.905 4.361 ( -10.391 6.511 -2.529) 12.521 5.063 ( 5.532 5.083 0.756) 7.551 5.214 ( -1.351 -5.251 -1.380) 5.595 5.514 ( -15.164 -6.068 -1.029) 16.365 6.969 ( -2.913 -16.397 3.744) 17.070 7.893 ( 9.674 -1.208 2.468) 10.056 8.448 ( 5.386 -0.093 -5.517) 7.710 25.928 ( 1.837 41.060 0.267) 41.102 27.966 ( -3.696 15.149 0.114) 15.594 30.034 ( -5.741 -7.836 0.274) 9.718 33.315 ( 4.022 -42.573 0.445) 42.764 94.839 ( 4.465 19.175 0.954) 19.711 96.878 ( 1.303 -8.655 -1.334) 8.853 ======================= Grid point 247 (109/504) ======================= q-point: (-0.29 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -8.954 18.979 1.762) 21.059 2.275 ( -15.965 10.919 -9.269) 21.448 3.461 ( 2.444 -1.511 0.125) 2.876 3.945 ( -20.700 13.004 1.444) 24.488 4.129 ( -1.101 4.935 6.485) 8.224 4.256 ( 4.908 -1.960 -0.074) 5.286 5.074 ( -13.648 -4.172 -1.417) 14.342 5.206 ( 7.066 5.951 1.304) 9.330 5.297 ( -6.115 -3.902 -0.247) 7.258 6.918 ( -4.562 -13.021 2.306) 13.988 8.128 ( 12.482 -4.545 6.914) 14.976 8.508 ( 6.483 0.812 -8.752) 10.922 25.973 ( 2.978 41.259 0.322) 41.368 27.891 ( -4.537 13.736 0.143) 14.467 29.912 ( -7.891 -9.351 0.177) 12.237 33.397 ( 4.652 -43.438 0.334) 43.687 94.954 ( 7.730 19.630 1.185) 21.130 96.897 ( 1.872 -8.837 -1.401) 9.141 ======================= Grid point 248 (110/504) ======================= q-point: (-0.21 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -5.562 26.110 -9.129) 28.214 1.963 ( -12.837 16.576 5.325) 21.631 3.467 ( -3.306 0.584 0.382) 3.379 3.521 ( -24.574 19.344 -0.607) 31.280 4.054 ( -6.689 9.769 0.833) 11.869 4.417 ( 8.410 -8.233 1.701) 11.891 4.793 ( -14.069 -1.747 -0.926) 14.207 5.226 ( -2.850 -3.302 -0.198) 4.366 5.310 ( 2.269 3.180 1.821) 4.310 6.849 ( -3.888 -10.434 0.117) 11.135 8.428 ( 13.670 -4.617 9.258) 17.143 8.556 ( 6.197 2.299 -9.018) 11.181 26.041 ( 4.327 41.035 0.148) 41.262 27.810 ( -4.490 12.202 0.178) 13.003 29.757 ( -9.158 -10.712 -0.070) 14.094 33.481 ( 4.417 -44.455 0.005) 44.674 95.137 ( 11.957 19.002 0.406) 22.455 96.925 ( 1.929 -9.116 -0.403) 9.326 ======================= Grid point 249 (111/504) ======================= q-point: (-0.14 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -4.017 26.814 -14.082) 30.552 1.911 ( -4.816 26.797 11.911) 29.718 3.089 ( -22.710 26.810 3.209) 35.282 3.315 ( -13.829 6.464 0.349) 15.269 3.978 ( -0.340 7.831 -1.447) 7.971 4.529 ( 4.392 -8.338 -7.299) 11.920 4.584 ( -8.144 -2.064 0.566) 8.420 5.190 ( -1.812 -2.405 2.796) 4.109 5.299 ( -4.817 -2.106 2.584) 5.857 6.784 ( -2.083 -7.309 -3.541) 8.385 8.535 ( 4.776 4.835 -15.526) 16.948 8.805 ( 13.152 -4.017 18.558) 23.098 26.128 ( 5.263 39.895 -0.656) 40.246 27.737 ( -3.589 10.840 0.202) 11.420 29.589 ( -9.059 -11.086 -0.295) 14.320 33.551 ( 3.425 -45.443 -0.396) 45.573 95.376 ( 14.768 15.733 -3.320) 21.833 96.965 ( 1.837 -9.705 2.757) 10.255 ======================= Grid point 250 (112/504) ======================= q-point: (-0.07 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 4.801 30.379 -10.437) 32.479 1.876 ( -6.894 28.000 4.140) 29.132 2.815 ( -12.201 33.167 13.686) 37.897 3.050 ( -13.390 13.162 0.547) 18.783 4.002 ( 3.499 7.141 -3.411) 8.653 4.424 ( -5.773 -3.948 -1.941) 7.258 4.537 ( 1.556 -7.658 -13.123) 15.273 5.164 ( -5.004 -5.222 0.859) 7.283 5.247 ( -2.063 -2.999 9.526) 10.198 6.719 ( -0.591 -4.515 -8.590) 9.722 8.486 ( 1.854 8.001 -15.057) 17.152 9.156 ( 9.240 -4.917 21.086) 23.541 26.206 ( 3.999 38.035 -2.415) 38.321 27.687 ( -2.019 9.911 0.209) 10.117 29.445 ( -6.148 -10.047 -0.089) 11.779 33.596 ( 1.892 -46.264 -0.765) 46.309 95.570 ( 10.566 11.039 -11.088) 18.880 97.037 ( 1.922 -11.635 8.084) 14.298 ======================= Grid point 251 (113/504) ======================= q-point: ( 0.00 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 3.545 24.092 1.975) 24.431 2.277 ( -1.622 29.631 -13.976) 32.802 3.178 ( 0.149 12.837 -2.175) 13.020 3.491 ( -0.833 29.004 22.216) 36.544 4.081 ( 0.200 -2.845 -16.229) 16.477 4.248 ( 0.915 -4.964 -0.765) 5.105 4.390 ( -1.019 3.675 -5.406) 6.616 4.944 ( -0.798 -8.984 -0.474) 9.032 5.273 ( 0.149 -0.910 9.108) 9.154 6.516 ( 0.336 -9.270 -15.222) 17.826 8.593 ( -0.880 9.523 -6.816) 11.744 9.278 ( 0.373 -5.837 18.388) 19.296 27.034 ( -0.058 46.287 -2.662) 46.363 27.879 ( -0.056 11.940 0.259) 11.943 29.186 ( 0.121 -11.551 0.322) 11.556 32.607 ( 0.008 -55.792 -1.637) 55.816 95.761 ( 0.023 9.433 -9.930) 13.697 96.856 ( 0.028 -13.653 5.948) 14.893 ======================= Grid point 252 (114/504) ======================= q-point: ( 0.07 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -4.232 26.447 -7.087) 27.705 2.413 ( 11.066 23.551 0.585) 26.028 3.237 ( 7.494 10.342 -2.682) 13.050 3.664 ( 2.775 25.772 19.586) 32.489 3.929 ( -2.543 -3.392 -16.461) 16.998 4.276 ( -0.172 0.085 -2.759) 2.765 4.382 ( 6.773 1.903 -4.407) 8.302 4.994 ( 6.232 -8.776 -0.918) 10.803 5.333 ( -0.422 -2.095 8.247) 8.520 6.390 ( -0.895 -9.881 -19.079) 21.505 8.514 ( -4.424 10.430 -1.676) 11.453 9.330 ( -7.659 -6.102 16.051) 18.802 26.992 ( -2.133 46.947 -2.981) 47.090 27.905 ( 2.629 12.343 0.302) 12.624 29.240 ( 5.347 -11.635 0.308) 12.809 32.582 ( -1.277 -55.673 -2.112) 55.728 95.644 ( -4.651 12.414 -10.013) 16.614 96.881 ( -1.860 -14.597 5.757) 15.801 ======================= Grid point 253 (115/504) ======================= q-point: ( 0.14 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 1.356 22.474 -3.688) 22.815 2.635 ( 10.621 20.086 5.760) 23.440 3.355 ( 5.919 2.941 -3.635) 7.543 3.746 ( 0.943 0.132 -13.012) 13.046 3.892 ( 4.666 19.009 9.500) 21.757 4.232 ( 0.046 6.647 -5.193) 8.435 4.552 ( 12.628 -1.471 -0.047) 12.713 5.117 ( 6.691 -7.009 -0.594) 9.708 5.366 ( -1.474 -2.864 5.928) 6.747 6.235 ( -0.112 -12.542 -21.235) 24.663 8.416 ( -6.913 9.905 3.108) 12.472 9.239 ( -13.077 -5.275 12.913) 19.120 26.926 ( -2.768 47.843 -2.589) 47.993 27.975 ( 4.803 13.381 0.341) 14.221 29.370 ( 8.612 -11.605 0.025) 14.451 32.534 ( -2.287 -55.074 -2.387) 55.173 95.479 ( -6.116 15.794 -7.934) 18.703 96.870 ( -3.250 -14.542 4.665) 15.614 ======================= Grid point 254 (116/504) ======================= q-point: ( 0.21 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 6.632 15.985 1.068) 17.340 2.863 ( 8.817 16.293 8.705) 20.468 3.346 ( -1.800 -4.817 -8.330) 9.789 3.701 ( 2.965 -0.522 -10.358) 10.786 4.043 ( 5.340 17.064 3.623) 18.244 4.245 ( 5.585 8.230 -4.081) 10.751 4.815 ( 15.098 -1.270 2.247) 15.317 5.193 ( 1.641 -3.993 -0.251) 4.325 5.357 ( -3.199 -2.919 3.740) 5.722 6.122 ( 4.427 -17.221 -20.412) 27.071 8.309 ( -8.406 8.680 6.076) 13.525 9.058 ( -15.133 -4.045 9.602) 18.373 26.863 ( -2.410 48.474 -1.929) 48.572 28.077 ( 6.042 14.859 0.351) 16.044 29.538 ( 9.743 -11.169 -0.231) 14.823 32.471 ( -2.811 -54.149 -2.365) 54.273 95.328 ( -5.292 18.023 -5.427) 19.553 96.833 ( -3.741 -13.959 3.456) 14.859 ======================= Grid point 255 (117/504) ======================= q-point: ( 0.29 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 10.171 9.184 5.221) 14.664 3.057 ( 5.519 11.212 7.329) 14.487 3.234 ( -1.864 -4.832 -9.301) 10.646 3.670 ( -0.991 -0.819 -4.526) 4.705 4.132 ( 4.681 12.716 -2.305) 13.745 4.350 ( 7.508 7.540 -3.956) 11.352 5.076 ( 9.239 -1.193 1.798) 9.488 5.180 ( -1.729 -2.767 -0.496) 3.300 5.334 ( 0.514 -4.657 3.405) 5.792 6.119 ( 8.802 -19.980 -16.192) 27.182 8.197 ( -8.929 7.608 6.743) 13.530 8.844 ( -14.384 -2.741 6.508) 16.024 26.815 ( -1.715 48.853 -1.280) 48.900 28.190 ( 6.088 16.496 0.316) 17.587 29.708 ( 9.091 -10.476 -0.330) 13.874 32.404 ( -2.723 -53.124 -2.030) 53.232 95.217 ( -3.634 19.084 -3.372) 19.718 96.787 ( -3.525 -13.193 2.374) 13.860 ======================= Grid point 256 (118/504) ======================= q-point: ( 0.36 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 11.490 3.826 7.765) 14.386 3.051 ( -3.700 -2.053 -7.451) 8.569 3.272 ( 5.660 5.987 3.992) 9.155 3.605 ( -3.542 -0.610 -2.327) 4.282 4.192 ( 3.447 10.353 -1.208) 10.979 4.420 ( 3.910 5.419 -6.197) 9.114 5.108 ( -1.979 -1.959 1.087) 2.989 5.157 ( -1.857 -3.949 0.565) 4.400 5.482 ( 10.336 -7.439 2.170) 12.918 6.195 ( 9.479 -19.967 -10.561) 24.496 8.083 ( -8.305 7.242 5.423) 12.281 8.643 ( -11.612 -1.578 3.820) 12.326 26.783 ( -0.988 49.127 -0.720) 49.142 28.293 ( 4.900 17.971 0.235) 18.629 29.852 ( 7.002 -9.807 -0.292) 12.054 32.349 ( -2.000 -52.217 -1.455) 52.275 95.149 ( -1.973 19.474 -1.911) 19.667 96.743 ( -2.830 -12.413 1.455) 12.814 ======================= Grid point 257 (119/504) ======================= q-point: ( 0.43 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 8.381 1.096 5.153) 9.899 2.931 ( -3.442 -1.260 -3.432) 5.021 3.395 ( 5.209 4.010 2.334) 6.976 3.509 ( -5.157 0.012 -2.511) 5.736 4.243 ( 2.234 9.354 1.018) 9.671 4.429 ( 2.220 3.758 -3.995) 5.917 5.087 ( -0.916 -3.501 -0.099) 3.621 5.131 ( -1.537 -5.038 1.372) 5.443 5.646 ( 6.093 -9.155 0.029) 10.997 6.304 ( 8.312 -19.992 -4.452) 22.104 7.978 ( -6.404 7.561 2.826) 10.304 8.488 ( -7.420 -0.870 1.537) 7.627 26.768 ( -0.302 49.375 -0.256) 49.377 28.364 ( 2.680 18.974 0.131) 19.163 29.950 ( 3.864 -9.383 -0.189) 10.149 32.316 ( -0.752 -51.587 -0.766) 51.599 95.117 ( -0.517 19.580 -0.902) 19.608 96.708 ( -1.844 -11.733 0.682) 11.896 ======================= Grid point 258 (120/504) ======================= q-point: (-0.50 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -6.140 3.934 -4.676) 8.663 3.011 ( 4.115 -0.674 5.836) 7.173 3.376 ( -5.101 0.473 -3.972) 6.482 3.518 ( 5.747 1.287 3.113) 6.661 4.286 ( 1.445 8.791 2.021) 9.135 4.475 ( 4.102 3.222 0.636) 5.255 5.067 ( -1.275 -3.805 -0.685) 4.071 5.117 ( -0.592 -5.113 0.601) 5.182 5.688 ( -0.981 -9.162 -1.272) 9.301 6.424 ( 6.072 -21.384 0.964) 22.251 7.899 ( -3.167 7.906 -0.018) 8.516 8.402 ( -2.493 -0.821 -0.527) 2.677 26.769 ( 0.363 49.599 0.113) 49.600 28.388 ( -0.123 19.281 0.040) 19.281 29.986 ( 0.154 -9.327 -0.097) 9.328 32.313 ( 0.766 -51.322 -0.107) 51.328 95.117 ( 0.864 19.580 -0.166) 19.600 96.687 ( -0.748 -11.230 0.033) 11.255 ======================= Grid point 259 (121/504) ======================= q-point: (-0.43 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -7.807 8.896 -0.397) 11.843 2.999 ( -5.781 4.699 -5.694) 9.377 3.318 ( 0.582 -1.613 0.724) 1.862 3.670 ( 7.420 -2.131 6.051) 9.809 4.324 ( 0.715 8.522 2.899) 9.030 4.550 ( 1.413 4.009 1.625) 4.551 5.039 ( 0.022 -2.115 -0.604) 2.200 5.125 ( 0.981 -4.417 0.139) 4.527 5.597 ( -7.954 -7.498 -1.289) 11.006 6.525 ( 2.768 -23.012 4.412) 23.594 7.875 ( 1.446 7.273 -1.786) 7.627 8.389 ( 2.099 -1.214 -2.540) 3.511 26.783 ( 1.053 49.750 0.380) 49.763 28.360 ( -2.905 18.825 -0.002) 19.048 29.954 ( -3.585 -9.675 -0.064) 10.318 32.341 ( 2.195 -51.452 0.380) 51.500 95.147 ( 2.437 19.487 0.420) 19.643 96.681 ( 0.283 -10.928 -0.497) 10.943 ======================= Grid point 260 (122/504) ======================= q-point: (-0.36 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -7.593 14.184 4.764) 16.779 2.795 ( -8.672 11.040 -11.616) 18.221 3.362 ( 2.805 -2.709 1.154) 4.066 3.859 ( 7.821 -5.204 8.051) 12.372 4.338 ( -2.562 8.833 3.789) 9.947 4.489 ( -7.496 6.271 -2.468) 10.080 5.093 ( 3.431 -1.656 1.112) 3.969 5.151 ( 2.858 -1.161 0.031) 3.085 5.399 ( -12.415 -5.386 -0.536) 13.543 6.581 ( -0.327 -22.863 5.396) 23.494 7.936 ( 6.808 5.085 -1.312) 8.598 8.435 ( 5.401 -1.351 -4.361) 7.072 26.812 ( 1.814 49.746 0.522) 49.782 28.287 ( -5.075 17.723 0.013) 18.436 29.858 ( -6.808 -10.368 -0.101) 12.404 32.394 ( 3.193 -51.961 0.587) 52.063 95.213 ( 4.458 19.144 0.871) 19.675 96.689 ( 1.085 -10.792 -0.858) 10.880 ======================= Grid point 261 (123/504) ======================= q-point: (-0.29 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -6.736 17.821 9.814) 21.430 2.560 ( -6.456 18.779 -14.406) 24.533 3.422 ( 2.919 -2.687 0.434) 3.991 4.054 ( 7.405 -7.089 7.712) 12.828 4.198 ( -15.378 11.471 1.292) 19.229 4.358 ( -3.582 8.244 -2.862) 9.433 5.021 ( -11.325 -0.932 -1.746) 11.497 5.223 ( -4.768 -3.451 1.039) 5.977 5.258 ( 4.877 -0.270 1.987) 5.273 6.596 ( -1.155 -20.150 3.808) 20.539 8.105 ( 11.769 2.124 1.434) 12.045 8.514 ( 6.910 -0.468 -5.458) 8.818 26.856 ( 2.653 49.474 0.498) 49.548 28.184 ( -6.214 16.220 0.068) 17.369 29.713 ( -9.038 -11.219 -0.185) 14.408 32.459 ( 3.561 -52.776 0.470) 52.898 95.322 ( 6.958 18.167 0.996) 19.479 96.707 ( 1.537 -10.754 -0.896) 10.901 ======================= Grid point 262 (124/504) ======================= q-point: (-0.21 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -6.785 18.744 -2.453) 20.085 2.433 ( -0.630 27.834 -0.223) 27.842 3.459 ( 0.461 -1.482 -0.113) 1.556 3.883 ( -18.218 17.392 -0.018) 25.186 4.229 ( 3.378 -4.317 7.895) 9.611 4.257 ( -2.647 4.495 -6.105) 8.030 4.770 ( -13.189 -0.605 -0.900) 13.234 5.186 ( -1.349 -0.441 0.709) 1.586 5.295 ( -2.810 -4.062 1.912) 5.296 6.602 ( 0.484 -15.659 -0.071) 15.666 8.371 ( 15.331 -0.392 3.234) 15.673 8.602 ( 6.329 1.658 -3.356) 7.353 26.913 ( 3.417 48.801 0.210) 48.921 28.071 ( -6.140 14.612 0.134) 15.850 29.539 ( -9.866 -11.909 -0.270) 15.467 32.524 ( 3.282 -53.750 0.077) 53.850 95.475 ( 9.308 15.986 0.235) 18.500 96.731 ( 1.613 -10.793 -0.269) 10.916 ======================= Grid point 263 (125/504) ======================= q-point: (-0.14 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -1.197 24.489 -8.503) 25.951 2.453 ( -0.641 28.437 4.554) 28.806 3.411 ( -5.914 3.329 -0.766) 6.830 3.580 ( -15.827 23.034 4.911) 28.376 4.135 ( -2.888 7.818 -4.371) 9.411 4.346 ( 4.526 -9.755 -3.338) 11.260 4.564 ( -9.568 -0.194 0.936) 9.615 5.168 ( -2.967 -0.878 -0.523) 3.138 5.202 ( -6.736 -5.690 4.854) 10.065 6.608 ( 1.889 -11.795 -5.271) 13.057 8.604 ( 10.002 2.444 -12.339) 16.071 8.764 ( 9.532 -0.337 16.728) 19.256 26.977 ( 3.593 47.703 -0.488) 47.841 27.971 ( -4.897 13.200 0.188) 14.081 29.365 ( -8.804 -12.097 -0.242) 14.964 32.575 ( 2.478 -54.695 -0.476) 54.753 95.645 ( 9.711 12.483 -2.325) 15.986 96.762 ( 1.467 -11.077 1.511) 11.276 ======================= Grid point 264 (126/504) ======================= q-point: (-0.07 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 4.153 26.506 -6.564) 27.620 2.422 ( -4.090 28.127 -3.463) 28.633 3.263 ( -7.465 10.797 -1.576) 13.221 3.430 ( -8.116 27.059 15.588) 32.265 4.106 ( 3.685 2.427 -7.973) 9.112 4.321 ( -2.557 -7.411 -8.077) 11.256 4.449 ( -3.675 0.714 -0.123) 3.745 5.028 ( -7.712 -8.664 0.052) 11.599 5.213 ( -0.257 0.304 7.589) 7.600 6.587 ( 1.633 -9.856 -10.495) 14.489 8.632 ( 3.469 7.013 -10.864) 13.388 9.068 ( 7.996 -4.028 19.156) 21.145 27.027 ( 2.402 46.593 -1.608) 46.683 27.903 ( -2.734 12.247 0.225) 12.551 29.233 ( -5.321 -11.795 0.014) 12.939 32.604 ( 1.326 -55.428 -1.070) 55.454 95.763 ( 6.162 9.385 -6.642) 13.045 96.807 ( 1.170 -12.070 4.225) 12.842 ======================= Grid point 265 (127/504) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.938 20.624 1.872) 20.730 2.817 ( 0.448 25.649 -17.141) 30.853 3.346 ( 0.050 3.168 -1.408) 3.467 3.862 ( -0.057 -4.672 -9.437) 10.530 4.038 ( -0.379 14.159 9.142) 16.858 4.203 ( 0.598 1.448 -0.657) 1.699 4.520 ( -0.655 5.995 3.331) 6.890 4.752 ( -0.570 -10.796 -0.875) 10.846 5.313 ( 0.023 6.418 2.774) 6.991 6.272 ( 0.376 -15.792 -14.273) 21.290 8.768 ( -0.748 8.525 -1.600) 8.705 9.167 ( 0.252 -5.714 14.475) 15.564 28.004 ( -0.197 53.004 -2.144) 53.048 28.129 ( 0.073 14.305 0.253) 14.307 28.945 ( 0.171 -13.270 0.332) 13.275 31.472 ( -0.001 -60.743 -1.883) 60.772 95.944 ( 0.052 9.692 -5.756) 11.272 96.598 ( 0.035 -12.873 2.509) 13.116 ======================= Grid point 266 (128/504) ======================= q-point: ( 0.07 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -4.973 22.649 -7.246) 24.295 2.850 ( 9.171 21.209 -4.811) 23.602 3.356 ( 1.622 0.746 -2.462) 3.041 3.752 ( 0.575 -9.490 -18.316) 20.636 4.138 ( 0.406 18.160 15.213) 23.693 4.279 ( 7.240 2.574 1.683) 7.867 4.517 ( 0.172 8.502 -2.311) 8.812 4.807 ( 6.984 -10.270 -0.890) 12.452 5.329 ( -1.061 2.800 3.971) 4.973 6.145 ( -2.236 -15.352 -17.245) 23.197 8.713 ( -5.321 10.018 2.024) 11.523 9.204 ( -6.772 -6.914 13.467) 16.584 27.968 ( -1.743 52.915 -2.625) 53.009 28.163 ( 3.368 14.661 0.390) 15.048 29.000 ( 5.401 -12.966 0.388) 14.051 31.449 ( -0.793 -60.608 -2.383) 60.660 95.875 ( -2.845 11.702 -6.176) 13.534 96.605 ( -1.236 -13.828 2.445) 14.097 ======================= Grid point 267 (129/504) ======================= q-point: ( 0.14 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -1.494 21.250 -7.587) 22.614 3.004 ( 8.490 17.653 1.532) 19.648 3.327 ( -1.694 -5.874 -7.119) 9.383 3.676 ( 3.474 -5.061 -13.359) 14.701 4.256 ( 3.215 15.583 9.751) 18.661 4.407 ( 3.128 10.166 -2.398) 10.903 4.559 ( 9.608 2.882 -0.822) 10.064 4.960 ( 9.378 -8.761 -0.231) 12.836 5.325 ( -2.494 -0.473 4.083) 4.808 5.961 ( -3.791 -15.722 -18.774) 24.779 8.612 ( -8.426 10.182 5.214) 14.208 9.120 ( -11.742 -6.876 11.673) 17.928 27.913 ( -2.130 53.286 -2.544) 53.389 28.252 ( 6.065 15.326 0.475) 16.489 29.132 ( 8.742 -12.684 0.206) 15.407 31.412 ( -1.418 -60.114 -2.627) 60.188 95.769 ( -4.113 14.341 -5.364) 15.854 96.589 ( -2.208 -14.412 1.955) 14.710 ======================= Grid point 268 (130/504) ======================= q-point: ( 0.21 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 2.449 17.433 -4.491) 18.168 3.160 ( 5.892 13.494 4.419) 15.373 3.217 ( -2.301 -7.728 -10.701) 13.398 3.665 ( 2.070 -3.067 -6.723) 7.674 4.364 ( 2.121 15.360 0.591) 15.517 4.414 ( 4.498 8.718 -4.166) 10.658 4.805 ( 14.913 0.348 1.737) 15.018 5.101 ( 4.942 -5.234 0.540) 7.218 5.293 ( -4.102 -2.918 3.694) 6.244 5.780 ( -0.804 -17.974 -18.007) 25.455 8.489 ( -9.830 9.515 6.950) 15.345 8.960 ( -13.740 -6.002 9.436) 17.716 27.861 ( -1.749 53.917 -2.122) 53.987 28.381 ( 7.621 16.460 0.479) 18.145 29.305 ( 9.992 -12.668 0.001) 16.134 31.364 ( -1.764 -59.385 -2.553) 59.466 95.662 ( -3.908 16.562 -4.032) 17.488 96.556 ( -2.583 -14.603 1.410) 14.896 ======================= Grid point 269 (131/504) ======================= q-point: ( 0.29 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 5.783 12.139 -0.550) 13.458 3.091 ( -2.445 -6.641 -10.178) 12.396 3.297 ( 4.765 9.751 4.386) 11.705 3.641 ( -0.885 -2.190 -3.463) 4.192 4.363 ( 1.736 10.830 -5.143) 12.114 4.495 ( 4.797 6.985 -3.488) 9.163 5.070 ( 10.749 0.862 0.915) 10.822 5.124 ( -1.569 -2.699 -0.231) 3.130 5.234 ( -3.631 -5.238 3.845) 7.443 5.729 ( 7.183 -19.784 -12.935) 24.704 8.359 ( -9.677 8.728 6.776) 14.688 8.772 ( -13.076 -4.696 6.937) 15.529 27.822 ( -1.126 54.610 -1.538) 54.644 28.524 ( 7.701 17.812 0.395) 19.410 29.481 ( 9.388 -12.776 -0.120) 15.855 31.316 ( -1.731 -58.614 -2.166) 58.679 95.577 ( -2.901 18.005 -2.716) 18.438 96.518 ( -2.419 -14.495 0.944) 14.726 ======================= Grid point 270 (132/504) ======================= q-point: ( 0.36 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 7.840 6.448 3.241) 10.656 2.987 ( -2.124 -4.247 -7.918) 9.233 3.397 ( 3.771 6.163 2.305) 7.584 3.587 ( -2.649 -1.188 -2.825) 4.050 4.370 ( 1.753 7.883 -2.040) 8.329 4.516 ( 1.633 4.043 -6.488) 7.817 5.058 ( -3.737 -2.598 1.058) 4.672 5.095 ( -4.447 -2.604 1.243) 5.301 5.359 ( 10.201 -4.525 1.079) 11.212 5.818 ( 9.100 -18.231 -6.859) 21.499 8.238 ( -8.243 8.261 4.950) 12.676 8.595 ( -10.567 -3.361 4.293) 11.891 27.799 ( -0.511 55.223 -0.897) 55.233 28.654 ( 6.227 19.092 0.229) 20.083 29.632 ( 7.238 -12.898 -0.142) 14.791 31.275 ( -1.249 -57.986 -1.543) 58.020 95.521 ( -1.663 18.770 -1.642) 18.914 96.484 ( -1.882 -14.194 0.564) 14.329 ======================= Grid point 271 (133/504) ======================= q-point: ( 0.43 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 7.159 1.954 4.548) 8.703 2.908 ( -1.756 -1.157 -2.760) 3.470 3.464 ( 2.944 2.892 -1.668) 4.451 3.511 ( -2.881 0.328 -2.944) 4.132 4.396 ( 1.423 6.289 1.163) 6.552 4.493 ( 0.838 2.487 -3.817) 4.632 5.011 ( -2.150 -3.752 0.307) 4.335 5.037 ( -2.544 -4.397 1.252) 5.232 5.511 ( 5.809 -4.233 -0.038) 7.188 5.936 ( 7.006 -17.414 -2.178) 18.896 8.134 ( -5.912 8.147 2.149) 10.293 8.457 ( -6.912 -2.436 1.668) 7.516 27.791 ( 0.026 55.687 -0.276) 55.688 28.744 ( 3.417 19.981 0.015) 20.271 29.734 ( 3.960 -12.983 -0.106) 13.574 31.252 ( -0.338 -57.600 -0.808) 57.606 95.494 ( -0.447 19.066 -0.826) 19.089 96.460 ( -1.133 -13.805 0.250) 13.854 ======================= Grid point 272 (134/504) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -2.911 4.257 -0.397) 5.172 2.991 ( 5.038 -1.477 6.420) 8.293 3.401 ( -3.411 2.286 -6.143) 7.389 3.534 ( 3.911 0.111 -0.602) 3.959 4.430 ( 1.112 5.921 2.043) 6.362 4.524 ( 3.778 1.670 1.137) 4.285 4.986 ( -0.691 -3.871 -0.333) 3.946 5.017 ( -0.379 -4.941 0.917) 5.039 5.560 ( -0.237 -3.538 -0.379) 3.566 6.031 ( 3.774 -18.547 1.390) 18.978 8.058 ( -2.908 8.166 -0.721) 8.699 8.374 ( -2.645 -2.243 -0.740) 3.546 27.796 ( 0.498 55.953 0.252) 55.956 28.773 ( -0.161 20.204 -0.175) 20.205 29.770 ( 0.069 -13.001 -0.084) 13.002 31.253 ( 0.816 -57.459 -0.100) 57.465 95.493 ( 0.755 19.032 -0.204) 19.048 96.448 ( -0.303 -13.411 -0.022) 13.414 ======================= Grid point 273 (135/504) ======================= q-point: (-0.43 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -4.249 8.994 4.297) 10.836 3.077 ( 1.703 1.971 -1.008) 2.793 3.309 ( -2.191 2.016 -3.141) 4.328 3.620 ( 5.308 -3.217 1.688) 6.433 4.468 ( 1.106 6.238 2.587) 6.843 4.610 ( 2.867 1.892 1.552) 3.769 4.986 ( 1.645 -2.548 0.366) 3.054 5.045 ( 2.467 -3.964 1.268) 4.838 5.497 ( -6.511 -2.246 -0.303) 6.894 6.089 ( 0.727 -21.197 3.814) 21.550 8.026 ( 0.897 7.988 -2.671) 8.470 8.353 ( 1.623 -2.667 -2.699) 4.127 27.812 ( 0.953 55.973 0.619) 55.985 28.736 ( -3.693 19.683 -0.268) 20.028 29.734 ( -3.855 -12.967 -0.130) 13.529 31.279 ( 1.878 -57.546 0.434) 57.578 95.518 ( 2.073 18.675 0.282) 18.792 96.449 ( 0.497 -13.038 -0.256) 13.050 ======================= Grid point 274 (136/504) ======================= q-point: (-0.36 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -4.648 12.697 7.526) 15.475 3.035 ( -1.074 12.345 -9.580) 15.663 3.302 ( 1.366 -2.786 1.651) 3.515 3.744 ( 5.922 -6.747 4.349) 9.975 4.493 ( -0.824 7.056 2.434) 7.509 4.592 ( -4.438 4.121 -2.049) 6.394 5.067 ( 4.801 -0.397 1.805) 5.145 5.122 ( 5.007 -1.950 2.377) 5.876 5.328 ( -11.792 -1.124 -0.021) 11.846 6.118 ( -0.474 -23.991 4.834) 24.477 8.062 ( 5.463 7.285 -2.909) 9.559 8.393 ( 5.294 -3.053 -3.849) 7.223 27.838 ( 1.441 55.704 0.776) 55.728 28.641 ( -6.402 18.590 -0.246) 19.663 29.632 ( -7.206 -12.909 -0.229) 14.786 31.324 ( 2.530 -57.880 0.670) 57.940 95.572 ( 3.598 17.872 0.617) 18.241 96.461 ( 1.162 -12.662 -0.428) 12.723 ======================= Grid point 275 (137/504) ======================= q-point: (-0.29 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -4.106 14.803 6.108) 16.532 2.956 ( 0.005 19.902 -7.838) 21.390 3.354 ( 2.824 -3.995 1.105) 5.015 3.887 ( 6.149 -9.796 4.902) 12.562 4.404 ( -10.435 9.248 -0.360) 13.948 4.509 ( -2.116 6.738 -1.696) 7.263 5.049 ( -12.947 3.870 -1.120) 13.559 5.175 ( 0.362 -0.978 2.566) 2.770 5.221 ( 1.932 -2.654 2.460) 4.102 6.158 ( 2.004 -24.339 3.735) 24.705 8.189 ( 10.193 5.857 -1.127) 11.810 8.485 ( 7.704 -2.568 -3.806) 8.968 27.874 ( 1.981 55.141 0.688) 55.181 28.510 ( -7.788 17.210 -0.144) 18.891 29.478 ( -9.429 -12.826 -0.326) 15.922 31.376 ( 2.650 -58.465 0.552) 58.528 95.656 ( 5.199 16.402 0.654) 17.219 96.483 ( 1.589 -12.246 -0.458) 12.357 ======================= Grid point 276 (138/504) ======================= q-point: (-0.21 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -2.321 17.609 -0.741) 17.777 2.944 ( 1.732 23.604 -0.860) 23.683 3.405 ( 2.182 -3.763 -0.214) 4.355 4.020 ( 5.360 -11.972 1.594) 13.213 4.187 ( -12.204 13.546 0.050) 18.233 4.442 ( -4.814 8.402 -0.506) 9.697 4.776 ( -14.465 1.795 -0.682) 14.592 5.174 ( -6.834 -6.759 3.205) 10.132 5.233 ( 1.781 4.963 -0.133) 5.275 6.239 ( 5.047 -21.340 -0.141) 21.929 8.408 ( 13.606 3.680 1.230) 14.148 8.610 ( 8.102 -0.877 -1.639) 8.312 27.919 ( 2.479 54.387 0.330) 54.445 28.368 ( -7.661 15.813 -0.016) 17.571 29.298 ( -10.089 -12.729 -0.365) 16.247 31.423 ( 2.308 -59.208 0.120) 59.253 95.765 ( 6.320 14.134 0.071) 15.483 96.511 ( 1.701 -11.827 -0.180) 11.950 ======================= Grid point 277 (139/504) ======================= q-point: (-0.14 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.347 20.654 -4.162) 21.072 2.977 ( 1.371 24.423 -0.809) 24.475 3.418 ( -0.377 -2.445 -1.362) 2.824 3.968 ( -10.063 13.978 3.661) 17.608 4.103 ( 2.640 -8.033 -7.232) 11.127 4.342 ( -6.471 8.699 3.119) 11.282 4.564 ( -8.467 -0.185 1.834) 8.665 5.015 ( -10.948 -10.170 1.031) 14.978 5.267 ( 1.437 8.720 0.507) 8.852 6.313 ( 4.790 -18.400 -5.426) 19.772 8.649 ( 11.707 2.624 -3.805) 12.586 8.767 ( 7.994 -0.001 8.711) 11.823 27.965 ( 2.600 53.736 -0.326) 53.800 28.243 ( -6.080 14.648 0.095) 15.860 29.122 ( -8.810 -12.758 -0.272) 15.507 31.458 ( 1.659 -59.943 -0.517) 59.968 95.874 ( 5.997 11.442 -1.504) 13.005 96.542 ( 1.503 -11.611 0.608) 11.724 ======================= Grid point 278 (140/504) ======================= q-point: (-0.07 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 2.668 21.698 -2.911) 22.054 2.943 ( -1.625 24.955 -9.396) 26.714 3.379 ( -2.163 0.650 -1.447) 2.682 3.877 ( -4.542 14.547 8.796) 17.596 4.058 ( 0.791 -3.845 -11.010) 11.689 4.252 ( -4.743 2.917 -0.206) 5.572 4.505 ( -2.415 2.261 6.616) 7.397 4.837 ( -8.060 -10.840 -0.085) 13.508 5.292 ( 0.745 8.907 1.289) 9.030 6.328 ( 2.841 -16.706 -10.303) 19.832 8.756 ( 4.662 5.787 -4.776) 8.833 9.000 ( 6.780 -3.170 14.184) 16.037 28.001 ( 1.728 53.431 -1.238) 53.473 28.157 ( -3.321 14.028 0.170) 14.416 28.991 ( -5.250 -13.068 0.009) 14.084 31.475 ( 0.850 -60.498 -1.225) 60.516 95.945 ( 3.604 9.547 -3.868) 10.913 96.573 ( 1.004 -11.951 1.765) 12.122 ======================= Grid point 279 (141/504) ======================= q-point: ( 0.00 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 0.575 16.308 1.033) 16.351 3.261 ( 1.967 15.826 -15.734) 22.403 3.284 ( -1.285 -4.536 -2.797) 5.482 3.617 ( 0.181 -15.935 -18.931) 24.745 4.315 ( 0.087 9.568 -0.875) 9.608 4.351 ( -1.172 13.188 15.015) 20.019 4.530 ( 0.341 -9.458 2.613) 9.818 4.539 ( -0.342 -6.613 8.050) 10.424 5.549 ( 0.066 17.190 -6.170) 18.264 5.921 ( 0.264 -19.716 -11.390) 22.771 8.922 ( -0.432 7.323 3.914) 8.315 9.052 ( -0.055 -6.229 9.360) 11.244 28.398 ( -0.013 14.360 0.303) 14.363 28.676 ( -0.056 -14.180 0.283) 14.183 29.105 ( 0.126 59.050 -1.999) 59.084 30.280 ( 0.008 -61.684 -1.984) 61.716 96.141 ( 0.059 10.661 -2.765) 11.014 96.359 ( 0.049 -11.833 -0.194) 11.835 ======================= Grid point 280 (142/504) ======================= q-point: ( 0.07 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -4.525 17.471 -5.638) 18.908 3.217 ( 3.297 10.854 -7.320) 13.501 3.263 ( 0.847 -3.905 -6.647) 7.755 3.529 ( 4.257 -13.429 -15.427) 20.891 4.366 ( 5.931 8.329 -0.410) 10.233 4.430 ( 1.041 7.542 9.163) 11.913 4.604 ( 1.554 -1.326 6.673) 6.979 4.618 ( 6.497 -6.736 2.686) 9.737 5.487 ( -2.292 13.720 -5.735) 15.046 5.812 ( -2.841 -18.207 -13.034) 22.571 8.898 ( -5.816 9.018 5.940) 12.265 9.061 ( -6.215 -7.854 9.839) 14.040 28.435 ( 3.766 14.575 0.364) 15.058 28.704 ( 2.860 -11.159 0.286) 11.523 29.099 ( 0.978 55.880 -2.357) 55.939 30.260 ( -0.414 -61.506 -2.483) 61.557 96.104 ( -1.732 12.081 -3.111) 12.595 96.346 ( -1.213 -12.923 -0.375) 12.986 ======================= Grid point 281 (143/504) ======================= q-point: ( 0.14 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -2.964 17.411 -9.277) 19.949 3.136 ( -3.559 -12.185 -8.606) 15.336 3.319 ( 6.595 13.499 -3.721) 15.478 3.542 ( 4.823 -9.192 -7.413) 12.756 4.482 ( 4.485 7.951 3.011) 9.613 4.542 ( 6.617 2.383 0.540) 7.053 4.666 ( 4.460 6.490 1.521) 8.021 4.795 ( 10.350 -7.706 1.616) 13.004 5.392 ( -4.500 8.456 -3.590) 10.229 5.644 ( -5.550 -16.091 -12.900) 21.357 8.803 ( -9.528 9.420 7.407) 15.309 8.974 ( -10.572 -8.194 9.622) 16.477 28.534 ( 6.729 15.210 0.353) 16.635 28.774 ( 4.363 -0.364 0.151) 4.381 29.113 ( 2.592 44.602 -2.290) 44.736 30.232 ( -0.750 -61.006 -2.705) 61.070 96.042 ( -2.697 13.931 -2.893) 14.482 96.312 ( -2.046 -14.092 -0.506) 14.249 ======================= Grid point 282 (144/504) ======================= q-point: ( 0.21 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -0.218 15.267 -8.007) 17.241 3.018 ( -1.969 -11.850 -9.899) 15.565 3.406 ( 4.235 10.699 -0.052) 11.507 3.574 ( 2.465 -6.592 -3.357) 7.797 4.558 ( 3.178 5.690 -2.608) 7.020 4.587 ( 0.773 4.842 -2.674) 5.585 4.855 ( 14.222 6.105 -0.584) 15.488 4.994 ( 9.692 -6.242 1.424) 11.616 5.281 ( -6.001 2.984 -0.717) 6.740 5.453 ( -5.460 -14.417 -10.963) 18.917 8.668 ( -11.020 8.874 7.804) 16.159 8.828 ( -12.308 -7.553 8.678) 16.847 28.672 ( 7.997 17.247 0.206) 19.012 28.852 ( 4.081 20.017 -0.108) 20.429 29.167 ( 5.050 22.394 -1.728) 23.021 30.197 ( -0.990 -60.304 -2.612) 60.369 95.973 ( -2.763 15.592 -2.331) 16.005 96.269 ( -2.269 -15.029 -0.511) 15.208 ======================= Grid point 283 (145/504) ======================= q-point: ( 0.29 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 2.227 11.700 -5.109) 12.959 2.934 ( -0.358 -9.407 -8.338) 12.575 3.466 ( 2.209 7.366 0.672) 7.719 3.579 ( 0.203 -4.381 -1.965) 4.806 4.538 ( 0.287 6.633 -7.320) 9.882 4.590 ( 1.218 1.715 -4.847) 5.284 5.088 ( 1.452 0.566 1.037) 1.872 5.116 ( 7.751 0.088 2.517) 8.150 5.172 ( -4.214 2.778 0.023) 5.047 5.377 ( 6.676 -15.713 -7.688) 18.723 8.523 ( -10.511 7.988 6.838) 14.868 8.664 ( -11.666 -6.432 6.937) 15.019 28.802 ( 5.618 28.206 -0.209) 28.761 28.930 ( 5.263 30.771 -0.009) 31.218 29.264 ( 6.436 1.015 -1.053) 6.600 30.161 ( -1.083 -59.655 -2.233) 59.706 95.914 ( -2.209 16.755 -1.669) 16.983 96.227 ( -1.985 -15.602 -0.420) 15.734 ======================= Grid point 284 (146/504) ======================= q-point: ( 0.36 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 3.878 7.058 -1.352) 8.166 2.889 ( 0.545 -5.879 -5.197) 7.866 3.497 ( 1.420 4.070 -1.003) 4.426 3.556 ( -0.876 -2.160 -2.750) 3.605 4.497 ( -0.019 5.189 -4.268) 6.719 4.556 ( -0.385 -0.429 -5.967) 5.995 5.025 ( -5.181 -0.347 1.954) 5.548 5.048 ( -6.380 -2.270 2.305) 7.153 5.347 ( 11.102 4.011 -0.732) 11.827 5.513 ( 9.958 -12.699 -3.237) 16.460 8.390 ( -8.613 7.218 4.665) 12.167 8.512 ( -9.433 -5.302 4.495) 11.718 28.864 ( 2.050 46.634 -0.220) 46.680 29.043 ( 6.567 24.658 -0.024) 25.518 29.370 ( 5.567 -10.719 -0.534) 12.090 30.129 ( -0.888 -59.365 -1.650) 59.395 95.872 ( -1.370 17.395 -1.062) 17.481 96.194 ( -1.394 -15.822 -0.296) 15.886 ======================= Grid point 285 (147/504) ======================= q-point: ( 0.43 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 4.267 2.194 2.300) 5.321 2.881 ( 0.933 -1.728 -0.529) 2.034 3.504 ( 0.882 1.333 -4.483) 4.759 3.517 ( -0.105 -0.008 -3.750) 3.752 4.486 ( 0.439 3.085 0.070) 3.117 4.517 ( -0.191 -0.118 -2.081) 2.093 4.959 ( -3.143 -1.175 1.150) 3.547 4.971 ( -3.313 -2.240 1.014) 4.126 5.502 ( 6.263 3.613 -0.150) 7.232 5.651 ( 6.471 -11.539 -0.727) 13.250 8.281 ( -5.940 6.755 1.810) 9.176 8.390 ( -6.321 -4.531 1.694) 7.960 28.889 ( 0.948 54.073 0.288) 54.082 29.141 ( 4.011 23.239 -0.492) 23.588 29.449 ( 3.213 -15.994 -0.064) 16.314 30.109 ( -0.213 -59.510 -0.961) 59.518 95.850 ( -0.452 17.607 -0.565) 17.622 96.173 ( -0.662 -15.767 -0.184) 15.782 ======================= Grid point 286 (148/504) ======================= q-point: (-0.50 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.490 3.455 3.285) 4.792 2.953 ( 3.547 -2.449 5.594) 7.062 3.459 ( -0.414 3.382 -6.501) 7.340 3.516 ( 2.131 -2.063 -4.268) 5.198 4.512 ( 1.481 2.587 2.152) 3.676 4.538 ( 2.625 -0.244 1.996) 3.307 4.934 ( -0.331 -1.291 0.482) 1.417 4.943 ( -0.235 -2.324 0.630) 2.420 5.566 ( 0.592 4.289 0.490) 4.358 5.728 ( 1.824 -12.325 1.132) 12.511 8.204 ( -2.792 6.646 -1.008) 7.278 8.311 ( -2.720 -4.348 -0.970) 5.220 28.905 ( 0.397 55.943 0.859) 55.951 29.170 ( -0.263 22.592 -0.999) 22.615 29.481 ( 0.244 -16.827 0.257) 16.831 30.111 ( 0.881 -59.677 -0.256) 59.684 95.848 ( 0.488 17.482 -0.176) 17.489 96.167 ( 0.121 -15.511 -0.103) 15.512 ======================= Grid point 287 (149/504) ======================= q-point: (-0.43 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -0.727 7.360 6.107) 9.592 3.046 ( 2.422 -4.537 5.213) 7.323 3.409 ( -0.070 7.008 -6.165) 9.334 3.537 ( 3.081 -5.571 -2.825) 6.965 4.565 ( 2.309 3.861 2.188) 5.002 4.616 ( 3.320 -1.264 1.811) 3.988 4.958 ( 2.987 -0.156 1.459) 3.328 4.980 ( 3.397 -2.386 1.884) 4.559 5.529 ( -5.173 5.957 0.981) 7.950 5.733 ( -2.502 -14.923 2.480) 15.333 8.171 ( 0.893 6.748 -3.009) 7.443 8.282 ( 1.173 -4.664 -2.952) 5.643 28.915 ( -0.240 53.998 1.341) 54.015 29.119 ( -4.351 21.317 -1.275) 21.794 29.459 ( -2.818 -13.959 0.235) 14.243 30.137 ( 1.860 -59.525 0.336) 59.555 95.865 ( 1.479 17.029 0.116) 17.094 96.176 ( 0.907 -15.075 -0.058) 15.102 ======================= Grid point 288 (150/504) ======================= q-point: (-0.36 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -1.379 10.114 5.900) 11.790 3.109 ( 1.573 -5.421 2.744) 6.276 3.383 ( 1.291 11.055 -3.845) 11.776 3.590 ( 3.882 -9.398 -0.016) 10.168 4.602 ( 0.185 3.946 0.446) 3.976 4.638 ( -1.380 0.369 -1.247) 1.896 5.070 ( 6.341 0.410 3.473) 7.242 5.087 ( 5.644 -1.451 3.489) 6.792 5.399 ( -9.549 9.375 1.149) 13.431 5.687 ( -3.942 -19.530 3.229) 20.184 8.201 ( 5.074 6.723 -3.531) 9.133 8.315 ( 5.112 -4.992 -3.716) 8.054 28.910 ( -1.871 44.714 1.788) 44.789 29.007 ( -6.454 23.095 -1.508) 24.027 29.387 ( -5.104 -7.138 0.042) 8.775 30.178 ( 2.233 -59.430 0.626) 59.475 95.902 ( 2.516 16.183 0.295) 16.380 96.199 ( 1.642 -14.426 -0.051) 14.519 ======================= Grid point 289 (151/504) ======================= q-point: (-0.29 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -0.709 12.062 3.109) 12.477 3.145 ( 1.425 -4.924 0.425) 5.144 3.406 ( 2.852 13.360 -0.659) 13.677 3.672 ( 4.391 -12.524 1.881) 13.404 4.545 ( -6.003 5.035 -1.514) 7.980 4.588 ( -2.521 0.882 -1.750) 3.193 5.113 ( -9.842 1.607 1.568) 10.095 5.150 ( -2.820 -2.496 3.069) 4.858 5.307 ( 3.579 14.426 2.118) 15.014 5.687 ( 2.873 -23.202 2.945) 23.564 8.309 ( 9.134 6.118 -2.267) 11.225 8.415 ( 8.409 -4.656 -2.957) 10.057 28.828 ( -8.355 17.997 0.610) 19.852 28.916 ( -2.766 35.143 -0.281) 35.252 29.288 ( -5.521 6.989 -0.128) 8.907 30.222 ( 2.051 -59.768 0.531) 59.805 95.959 ( 3.455 14.859 0.286) 15.259 96.234 ( 2.207 -13.535 -0.077) 13.714 ======================= Grid point 290 (152/504) ======================= q-point: (-0.21 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 0.496 14.075 -0.434) 14.090 3.176 ( 2.196 -4.972 -0.429) 5.452 3.460 ( 2.818 14.656 0.038) 14.925 3.763 ( 4.157 -14.652 0.772) 15.250 4.406 ( -8.055 8.779 -0.106) 11.915 4.513 ( -4.644 -1.637 -0.256) 4.931 4.868 ( -15.249 7.429 0.289) 16.964 5.024 ( -11.529 -8.136 1.728) 14.216 5.431 ( 6.649 15.419 0.461) 16.797 5.807 ( 7.547 -22.163 -0.002) 23.412 8.492 ( 11.640 4.530 0.139) 12.491 8.570 ( 9.867 -3.218 -0.685) 10.401 28.671 ( -8.698 15.341 0.069) 17.635 28.856 ( -4.127 14.908 0.191) 15.469 29.200 ( -3.790 29.514 -0.336) 29.758 30.257 ( 1.590 -60.410 0.100) 60.431 96.028 ( 3.949 13.119 -0.043) 13.701 96.275 ( 2.424 -12.485 -0.116) 12.719 ======================= Grid point 291 (153/504) ======================= q-point: (-0.14 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 1.515 15.952 -2.262) 16.182 3.215 ( 2.619 -6.459 -1.216) 7.075 3.484 ( 0.729 16.131 -4.323) 16.717 3.807 ( 1.965 -15.411 -5.879) 16.611 4.285 ( -6.434 11.791 5.531) 14.527 4.441 ( -4.603 -2.852 5.314) 7.587 4.608 ( -12.766 8.057 -0.207) 15.098 4.807 ( -12.360 -10.969 0.527) 16.533 5.528 ( 4.710 17.789 -2.401) 18.558 5.919 ( 6.045 -21.372 -4.380) 22.638 8.705 ( 10.527 2.885 0.890) 10.951 8.751 ( 8.981 -1.706 4.062) 10.003 28.528 ( -6.908 14.766 0.100) 16.302 28.775 ( -4.721 -3.717 0.184) 6.011 29.147 ( -1.732 48.437 -0.775) 48.474 30.279 ( 1.043 -61.065 -0.556) 61.076 96.094 ( 3.555 11.367 -0.801) 11.936 96.316 ( 2.131 -11.580 -0.126) 11.776 ======================= Grid point 292 (154/504) ======================= q-point: (-0.07 0.46 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 2.098 16.762 -1.480) 16.957 3.250 ( 2.331 -6.796 -1.854) 7.420 3.412 ( -2.171 16.816 -12.061) 20.807 3.745 ( -0.609 -15.301 -14.355) 20.989 4.270 ( -2.351 13.503 12.469) 18.529 4.388 ( -6.319 8.861 1.210) 10.951 4.475 ( -2.903 -4.793 9.616) 11.130 4.616 ( -8.145 -11.661 -0.425) 14.230 5.566 ( 2.395 18.503 -4.893) 19.288 5.958 ( 3.246 -20.690 -8.406) 22.567 8.857 ( 5.374 4.645 1.706) 7.305 8.936 ( 5.940 -3.559 7.994) 10.576 28.431 ( -3.820 14.441 0.204) 14.939 28.703 ( -3.040 -12.215 0.225) 12.589 29.120 ( -0.573 57.068 -1.401) 57.088 30.287 ( 0.501 -61.524 -1.298) 61.539 96.137 ( 2.102 10.358 -1.863) 10.732 96.347 ( 1.293 -11.287 -0.112) 11.362 ======================= Grid point 377 (155/504) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 2.793 0.000 15.697) 15.943 1.143 ( 0.253 0.000 27.779) 27.780 1.762 ( 5.900 0.000 42.929) 43.333 2.301 ( -1.974 0.000 -2.374) 3.088 3.572 ( -0.115 0.000 -8.797) 8.798 4.489 ( 0.164 0.000 -2.960) 2.964 4.831 ( -0.857 0.000 -3.045) 3.163 4.876 ( 0.208 0.000 -1.401) 1.416 5.316 ( -0.434 0.000 1.024) 1.112 7.140 ( 0.119 0.000 -10.629) 10.629 8.228 ( -0.793 0.000 9.180) 9.215 9.199 ( -0.462 0.000 -5.012) 5.034 24.692 ( 0.014 0.000 1.468) 1.468 27.381 ( -0.065 0.000 0.168) 0.180 29.674 ( -0.174 0.000 0.557) 0.584 35.091 ( 0.093 0.000 -3.364) 3.365 94.126 ( -0.080 0.000 0.041) 0.090 98.281 ( 0.028 0.000 -0.847) 0.848 ======================= Grid point 378 (156/504) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 31.769 0.000 9.594) 33.186 1.436 ( 10.711 0.000 24.519) 26.757 2.139 ( 4.105 0.000 37.223) 37.448 2.516 ( 25.486 0.000 0.364) 25.489 3.501 ( -0.476 0.000 -9.738) 9.750 4.372 ( -9.134 0.000 -7.853) 12.046 4.822 ( 2.788 0.000 1.514) 3.173 4.872 ( -0.268 0.000 0.721) 0.770 5.357 ( 3.660 0.000 -0.981) 3.789 7.089 ( 2.370 0.000 -13.495) 13.702 8.279 ( -0.955 0.000 9.024) 9.075 9.110 ( -5.139 0.000 -4.617) 6.909 24.700 ( -0.330 0.000 1.524) 1.560 27.388 ( 0.706 0.000 0.177) 0.728 29.744 ( 6.668 0.000 -1.473) 6.829 35.032 ( -3.703 0.000 -2.953) 4.736 94.124 ( -0.196 0.000 0.038) 0.200 98.129 ( -14.219 0.000 3.858) 14.734 ======================= Grid point 379 (157/504) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 29.875 0.000 8.571) 31.080 1.830 ( 15.909 0.000 19.256) 24.977 2.464 ( 9.013 0.000 23.578) 25.242 3.092 ( 32.770 0.000 6.833) 33.474 3.425 ( -0.226 0.000 -9.847) 9.850 4.111 ( -11.291 0.000 -11.117) 15.845 4.832 ( -2.803 0.000 1.767) 3.313 4.985 ( 9.858 0.000 4.737) 10.937 5.415 ( 3.299 0.000 -0.461) 3.331 7.019 ( 1.417 0.000 -16.527) 16.588 8.312 ( -2.132 0.000 8.390) 8.657 8.965 ( -7.379 0.000 -3.867) 8.331 24.701 ( -0.661 0.000 1.416) 1.563 27.408 ( 1.287 0.000 0.190) 1.301 29.862 ( 7.667 0.000 -2.616) 8.101 34.928 ( -5.615 0.000 -2.418) 6.114 94.120 ( -0.200 0.000 0.024) 0.201 97.896 ( -15.040 0.000 6.525) 16.394 ======================= Grid point 380 (158/504) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 15.631 0.000 15.511) 22.021 2.340 ( 21.645 0.000 12.098) 24.797 2.783 ( 13.269 0.000 9.889) 16.548 3.359 ( 0.350 0.000 -9.083) 9.089 3.696 ( 20.391 0.000 0.787) 20.406 3.860 ( -1.356 0.000 -3.723) 3.962 4.783 ( -3.518 0.000 1.402) 3.787 5.220 ( 11.738 0.000 0.396) 11.745 5.496 ( 5.278 0.000 7.370) 9.065 6.920 ( 1.780 0.000 -19.183) 19.265 8.312 ( -4.329 0.000 7.536) 8.691 8.800 ( -8.015 0.000 -2.973) 8.549 24.696 ( -0.923 0.000 1.151) 1.475 27.436 ( 1.591 0.000 0.194) 1.603 29.980 ( 7.224 0.000 -2.285) 7.577 34.803 ( -6.331 0.000 -1.971) 6.631 94.117 ( -0.135 0.000 0.017) 0.136 97.684 ( -13.197 0.000 5.871) 14.444 ======================= Grid point 381 (159/504) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 13.630 0.000 11.871) 18.075 2.740 ( 12.061 0.000 15.848) 19.915 3.072 ( 15.239 0.000 -1.174) 15.284 3.313 ( 1.040 0.000 -7.707) 7.777 3.526 ( -10.077 0.000 -11.705) 15.445 4.268 ( 17.116 0.000 9.078) 19.374 4.758 ( 1.208 0.000 3.405) 3.613 5.329 ( 3.472 0.000 -5.152) 6.212 5.775 ( 15.629 0.000 13.840) 20.876 6.834 ( 4.380 0.000 -20.409) 20.874 8.250 ( -7.952 0.000 5.980) 9.949 8.646 ( -6.987 0.000 -1.736) 7.199 24.685 ( -1.065 0.000 0.783) 1.322 27.466 ( 1.569 0.000 0.182) 1.579 30.089 ( 6.301 0.000 -1.430) 6.461 34.679 ( -5.909 0.000 -1.504) 6.097 94.116 ( -0.045 0.000 0.039) 0.060 97.501 ( -11.004 0.000 4.140) 11.757 ======================= Grid point 382 (160/504) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 9.466 0.000 8.362) 12.630 2.967 ( 1.117 0.000 7.291) 7.376 3.282 ( 3.161 0.000 -5.360) 6.223 3.313 ( 7.418 0.000 -5.213) 9.067 3.325 ( 0.571 0.000 -1.451) 1.560 4.420 ( -1.441 0.000 2.036) 2.494 4.935 ( 10.039 0.000 9.442) 13.782 5.334 ( 1.093 0.000 -2.997) 3.190 6.151 ( 14.629 0.000 8.869) 17.108 6.827 ( 10.717 0.000 -16.846) 19.966 8.108 ( -11.375 0.000 3.910) 12.028 8.528 ( -5.318 0.000 -0.635) 5.356 24.669 ( -1.054 0.000 0.394) 1.125 27.493 ( 1.224 0.000 0.160) 1.235 30.184 ( 4.943 0.000 -0.529) 4.971 34.576 ( -4.374 0.000 -1.035) 4.495 94.116 ( 0.038 0.000 0.092) 0.099 97.347 ( -8.529 0.000 2.363) 8.851 ======================= Grid point 383 (161/504) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -13.009 0.000 -4.227) 13.679 3.045 ( 2.943 0.000 3.295) 4.418 3.290 ( 2.524 0.000 -2.287) 3.406 3.429 ( 8.900 0.000 7.860) 11.874 3.491 ( 9.262 0.000 -2.486) 9.590 4.376 ( -2.769 0.000 0.396) 2.798 5.116 ( 1.720 0.000 7.894) 8.079 5.343 ( 1.305 0.000 -0.137) 1.313 6.336 ( 2.645 0.000 -1.093) 2.862 7.036 ( 20.216 0.000 -5.965) 21.077 7.916 ( -11.504 0.000 2.398) 11.751 8.440 ( -4.065 0.000 -0.498) 4.096 24.653 ( -0.883 0.000 0.076) 0.887 27.511 ( 0.627 0.000 0.138) 0.643 30.257 ( 3.212 0.000 0.177) 3.217 34.513 ( -1.958 0.000 -0.632) 2.057 94.118 ( 0.089 0.000 0.154) 0.178 97.229 ( -5.812 0.000 0.964) 5.892 ======================= Grid point 384 (162/504) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -17.005 0.000 -3.052) 17.276 3.011 ( -7.428 0.000 -0.132) 7.429 3.353 ( 4.559 0.000 0.226) 4.564 3.618 ( 6.245 0.000 -0.974) 6.321 3.670 ( 12.230 0.000 5.240) 13.305 4.349 ( -0.550 0.000 0.264) 0.611 5.082 ( -9.734 0.000 3.416) 10.316 5.385 ( 2.210 0.000 2.916) 3.658 6.280 ( -6.725 0.000 -2.102) 7.045 7.344 ( 12.325 0.000 -3.079) 12.703 7.792 ( -0.214 0.000 2.474) 2.484 8.375 ( -2.555 0.000 -0.848) 2.692 24.640 ( -0.581 0.000 -0.101) 0.590 27.516 ( -0.102 0.000 0.128) 0.163 30.301 ( 1.298 0.000 0.568) 1.417 34.499 ( 0.898 0.000 -0.367) 0.970 94.121 ( 0.099 0.000 0.199) 0.222 97.152 ( -3.085 0.000 0.129) 3.088 ======================= Grid point 385 (163/504) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -20.005 0.000 -0.124) 20.006 2.801 ( -15.132 0.000 -0.291) 15.135 3.438 ( 4.538 0.000 0.197) 4.542 3.704 ( 3.855 0.000 -0.528) 3.891 3.928 ( 13.158 0.000 1.691) 13.266 4.330 ( -3.630 0.000 0.141) 3.632 4.850 ( -15.222 0.000 0.709) 15.238 5.448 ( 1.647 0.000 3.976) 4.304 6.074 ( -15.519 0.000 0.605) 15.530 7.359 ( -3.952 0.000 -2.480) 4.666 8.003 ( 17.618 0.000 1.194) 17.658 8.337 ( -1.048 0.000 -0.713) 1.267 24.632 ( -0.210 0.000 -0.109) 0.236 27.509 ( -0.818 0.000 0.134) 0.829 30.311 ( -0.538 0.000 0.578) 0.789 34.539 ( 3.628 0.000 -0.293) 3.640 94.124 ( 0.074 0.000 0.203) 0.217 97.119 ( -0.634 0.000 0.013) 0.634 ======================= Grid point 386 (164/504) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -22.267 0.000 4.015) 22.626 2.479 ( -20.466 0.000 0.870) 20.485 3.516 ( 4.097 0.000 -0.346) 4.112 3.738 ( 0.182 0.000 -2.681) 2.687 4.001 ( -19.631 0.000 2.575) 19.799 4.253 ( 8.053 0.000 -2.964) 8.581 4.677 ( -2.731 0.000 0.038) 2.731 5.485 ( -0.803 0.000 3.458) 3.550 5.736 ( -22.551 0.000 2.330) 22.671 7.281 ( -2.546 0.000 -0.335) 2.568 8.293 ( 8.154 0.000 -8.074) 11.475 8.362 ( 9.330 0.000 6.814) 11.554 24.631 ( 0.149 0.000 0.041) 0.155 27.490 ( -1.382 0.000 0.155) 1.391 30.290 ( -2.064 0.000 0.105) 2.066 34.622 ( 5.695 0.000 -0.402) 5.709 94.126 ( 0.029 0.000 0.158) 0.161 97.129 ( 1.378 0.000 0.938) 1.667 ======================= Grid point 387 (165/504) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -22.732 0.000 10.793) 25.164 2.090 ( -23.989 0.000 3.375) 24.225 3.386 ( -35.734 0.000 -4.822) 36.058 3.580 ( 3.062 0.000 -1.128) 3.263 3.732 ( -8.888 0.000 5.147) 10.271 4.431 ( 12.327 0.000 -8.386) 14.909 4.689 ( 2.515 0.000 0.021) 2.515 5.301 ( -24.322 0.000 3.350) 24.552 5.488 ( -3.314 0.000 2.621) 4.225 7.272 ( 0.667 0.000 2.009) 2.117 8.296 ( 0.807 0.000 -4.475) 4.547 8.637 ( 13.870 0.000 1.807) 13.988 24.637 ( 0.417 0.000 0.308) 0.518 27.463 ( -1.686 0.000 0.183) 1.696 30.239 ( -3.248 0.000 -1.142) 3.443 34.732 ( 6.748 0.000 -0.577) 6.772 94.127 ( -0.019 0.000 0.075) 0.078 97.185 ( 3.197 0.000 3.649) 4.851 ======================= Grid point 388 (166/504) ======================= q-point: (-0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -19.054 0.000 21.755) 28.919 1.677 ( -25.576 0.000 7.880) 26.762 2.636 ( -43.816 0.000 -0.720) 43.822 3.504 ( -18.986 0.000 2.315) 19.126 3.630 ( 2.073 0.000 -2.824) 3.504 4.542 ( 8.125 0.000 -14.061) 16.239 4.741 ( 2.713 0.000 0.262) 2.725 4.940 ( -16.560 0.000 5.263) 17.376 5.448 ( -3.189 0.000 2.712) 4.186 7.316 ( 2.016 0.000 2.064) 2.885 8.271 ( -0.342 0.000 -4.150) 4.164 8.871 ( 11.138 0.000 0.773) 11.165 24.649 ( 0.538 0.000 0.638) 0.834 27.433 ( -1.677 0.000 0.205) 1.689 30.153 ( -4.668 0.000 -3.694) 5.953 34.851 ( 6.806 0.000 -0.588) 6.831 94.127 ( -0.052 0.000 -0.006) 0.052 97.309 ( 6.313 0.000 9.375) 11.302 ======================= Grid point 389 (167/504) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -10.488 0.000 31.919) 33.598 1.306 ( -23.531 0.000 15.367) 28.105 1.840 ( -44.392 0.000 5.267) 44.703 3.063 ( -28.905 0.000 0.714) 28.914 3.642 ( 1.790 0.000 -5.015) 5.325 4.529 ( 2.280 0.000 -13.912) 14.097 4.771 ( -0.755 0.000 3.695) 3.771 4.825 ( -0.449 0.000 2.627) 2.665 5.415 ( -2.472 0.000 1.984) 3.170 7.341 ( 0.010 0.000 -2.865) 2.865 8.228 ( -1.953 0.000 -1.653) 2.558 9.052 ( 8.753 0.000 -0.047) 8.753 24.665 ( 0.496 0.000 0.976) 1.095 27.407 ( -1.366 0.000 0.199) 1.381 30.006 ( -7.984 0.000 -6.891) 10.547 34.966 ( 6.353 0.000 -0.515) 6.374 94.126 ( -0.033 0.000 -0.010) 0.035 97.579 ( 14.625 0.000 16.693) 22.193 ======================= Grid point 390 (168/504) ======================= q-point: (-0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -31.741 0.000 11.962) 33.920 1.089 ( -15.094 0.000 23.984) 28.338 1.430 ( -5.633 0.000 38.104) 38.518 2.565 ( -23.697 0.000 -0.526) 23.703 3.622 ( 0.750 0.000 -7.118) 7.157 4.487 ( 2.037 0.000 -6.957) 7.249 4.812 ( 2.374 0.000 2.088) 3.161 4.858 ( 2.104 0.000 0.319) 2.128 5.368 ( -3.857 0.000 0.095) 3.858 7.255 ( -4.001 0.000 -9.451) 10.263 8.199 ( -2.098 0.000 5.439) 5.829 9.178 ( 5.698 0.000 -2.764) 6.333 24.680 ( 0.309 0.000 1.271) 1.308 27.388 ( -0.823 0.000 0.166) 0.839 29.786 ( -10.093 0.000 -4.153) 10.914 35.064 ( 4.785 0.000 -1.867) 5.136 94.126 ( 0.021 0.000 0.042) 0.047 98.038 ( 21.329 0.000 10.447) 23.750 ======================= Grid point 391 (169/504) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 2.365 20.203 12.078) 23.656 1.090 ( 2.195 0.004 28.279) 28.364 2.082 ( 4.450 27.170 34.920) 44.468 2.378 ( -2.727 7.855 -1.659) 8.479 3.624 ( -0.111 4.699 -9.437) 10.542 4.471 ( 0.146 -1.899 -2.784) 3.373 4.603 ( -0.370 -11.512 -1.414) 11.604 5.153 ( -0.823 14.964 -5.152) 15.848 5.293 ( -0.035 -2.394 0.878) 2.550 6.852 ( 0.300 -23.591 -10.145) 25.681 8.137 ( -0.975 -2.212 9.883) 10.174 9.467 ( -0.251 16.801 -4.271) 17.337 24.924 ( 0.006 21.544 -2.901) 21.739 27.415 ( -0.078 3.492 0.194) 3.499 29.643 ( -0.132 -3.281 0.549) 3.329 34.900 ( 0.088 -19.165 -2.552) 19.334 94.395 ( -0.072 23.253 -9.860) 25.257 98.089 ( 0.013 -17.349 4.777) 17.995 ======================= Grid point 392 (170/504) ======================= q-point: ( 0.07 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 21.302 6.982 13.368) 26.100 1.437 ( 15.079 4.268 22.335) 27.284 2.374 ( 3.620 19.874 25.943) 32.880 2.593 ( 23.849 8.928 5.266) 26.005 3.544 ( -0.901 3.929 -10.426) 11.178 4.339 ( -9.322 -3.473 -7.244) 12.306 4.666 ( 5.610 -7.803 2.938) 10.049 5.083 ( -2.315 12.320 -1.806) 12.665 5.343 ( 4.079 -1.217 -1.521) 4.520 6.829 ( 5.171 -22.697 -14.636) 27.497 8.198 ( -0.841 -2.707 11.371) 11.719 9.354 ( -7.836 16.835 -4.586) 19.127 24.897 ( -1.216 19.215 -0.839) 19.272 27.424 ( 0.841 3.625 0.204) 3.726 29.707 ( 6.240 -3.728 -0.987) 7.336 34.850 ( -3.290 -18.494 -2.657) 18.971 94.320 ( -1.886 18.053 -5.345) 18.922 97.997 ( -11.705 -12.671 5.695) 18.166 ======================= Grid point 393 (171/504) ======================= q-point: ( 0.14 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 19.057 -4.070 17.302) 26.059 1.911 ( 22.560 7.542 13.689) 27.445 2.647 ( 10.223 16.066 16.090) 24.930 3.138 ( 28.916 5.100 8.509) 30.571 3.457 ( -0.355 2.864 -10.339) 10.734 4.092 ( -10.602 -1.871 -10.023) 14.709 4.798 ( 4.878 -3.030 3.845) 6.911 5.074 ( 2.605 7.951 1.620) 8.522 5.400 ( 3.180 -1.434 -0.860) 3.592 6.807 ( 4.906 -19.387 -18.351) 27.142 8.252 ( -1.975 -2.656 10.980) 11.468 9.152 ( -10.660 14.064 -3.890) 18.071 24.873 ( -1.315 17.174 0.321) 17.227 27.447 ( 1.549 4.014 0.214) 4.307 29.825 ( 7.686 -3.723 -2.100) 8.794 34.754 ( -5.217 -17.735 -2.379) 18.639 94.261 ( -1.614 13.578 -2.456) 13.893 97.807 ( -13.356 -8.785 6.653) 17.315 ======================= Grid point 394 (172/504) ======================= q-point: ( 0.21 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 15.935 -5.484 16.367) 23.492 2.391 ( 19.725 5.101 12.473) 23.889 2.940 ( 12.718 13.853 7.225) 20.146 3.361 ( -0.227 -0.085 -9.549) 9.552 3.716 ( 21.777 1.814 3.514) 22.134 3.847 ( -5.064 -0.499 -5.970) 7.844 4.846 ( -0.662 5.482 1.484) 5.718 5.222 ( 10.140 0.417 0.768) 10.177 5.469 ( 4.529 -2.618 6.182) 8.098 6.758 ( 5.041 -15.156 -20.474) 25.967 8.270 ( -4.273 -2.390 9.666) 10.835 8.930 ( -10.984 10.395 -3.192) 15.456 24.853 ( -1.290 15.924 0.624) 15.988 27.480 ( 1.929 4.590 0.216) 4.984 29.948 ( 7.482 -3.172 -1.962) 8.361 34.637 ( -5.963 -17.062 -1.992) 18.184 94.226 ( -1.024 10.723 -1.109) 10.828 97.619 ( -12.155 -6.584 5.675) 14.943 ======================= Grid point 395 (173/504) ======================= q-point: ( 0.29 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 13.319 -5.231 13.189) 19.460 2.778 ( 13.233 3.469 12.785) 18.724 3.180 ( 9.832 8.280 -2.382) 13.073 3.300 ( 1.526 0.282 -6.729) 6.906 3.587 ( -7.529 5.572 -8.875) 12.903 4.195 ( 15.430 -5.818 6.871) 17.865 4.860 ( 2.094 8.643 3.591) 9.590 5.321 ( 2.993 -0.873 -4.744) 5.676 5.727 ( 14.975 -4.828 12.871) 20.328 6.721 ( 7.122 -10.758 -20.615) 24.319 8.223 ( -7.773 -2.047 7.415) 10.936 8.724 ( -9.541 6.682 -2.056) 11.829 24.834 ( -1.241 15.257 0.525) 15.317 27.517 ( 1.916 5.244 0.204) 5.587 30.065 ( 6.605 -2.497 -1.277) 7.176 34.519 ( -5.578 -16.445 -1.525) 17.432 94.206 ( -0.541 9.100 -0.482) 9.129 97.450 ( -10.302 -5.212 3.963) 12.207 ======================= Grid point 396 (174/504) ======================= q-point: ( 0.36 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 8.875 -4.837 8.778) 13.387 3.000 ( 1.009 1.891 4.169) 4.688 3.192 ( 3.733 -3.244 -4.563) 6.730 3.382 ( 2.880 5.657 -1.276) 6.475 3.487 ( 4.067 11.281 -2.615) 12.274 4.362 ( 1.420 -5.098 1.811) 5.593 4.998 ( 6.992 5.542 7.962) 11.958 5.322 ( 0.884 -1.305 -2.938) 3.333 6.082 ( 13.831 -6.928 7.762) 17.307 6.760 ( 12.703 -6.556 -15.988) 21.447 8.091 ( -11.237 -1.514 4.560) 12.221 8.565 ( -7.089 3.398 -0.688) 7.891 24.815 ( -1.103 14.968 0.282) 15.012 27.550 ( 1.508 5.848 0.184) 6.042 30.166 ( 5.174 -1.946 -0.499) 5.550 34.421 ( -4.112 -15.910 -1.040) 16.466 94.198 ( -0.186 8.267 -0.152) 8.271 97.305 ( -8.048 -4.258 2.266) 9.382 ======================= Grid point 397 (175/504) ======================= q-point: ( 0.43 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -11.306 -2.463 -4.062) 12.264 3.046 ( 3.522 0.057 4.454) 5.679 3.274 ( 3.766 -0.460 -4.269) 5.711 3.451 ( 6.143 2.272 7.697) 10.106 3.604 ( 7.347 9.733 -1.219) 12.255 4.358 ( -0.975 -1.695 0.260) 1.973 5.135 ( 0.766 1.783 6.943) 7.209 5.326 ( 1.125 -1.697 -0.381) 2.072 6.261 ( 3.301 -7.385 -0.884) 8.137 6.989 ( 20.140 -4.926 -5.973) 21.577 7.902 ( -11.614 -1.204 2.540) 11.950 8.454 ( -4.924 1.373 -0.257) 5.119 24.799 ( -0.837 14.935 0.048) 14.959 27.572 ( 0.786 6.277 0.165) 6.329 30.241 ( 3.291 -1.670 0.125) 3.692 34.361 ( -1.799 -15.520 -0.619) 15.636 94.197 ( 0.081 7.962 0.043) 7.962 97.194 ( -5.509 -3.597 0.933) 6.645 ======================= Grid point 398 (176/504) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -15.997 -0.273 -2.972) 16.273 3.029 ( -7.663 1.596 0.242) 7.831 3.322 ( 4.485 -2.061 -0.879) 5.014 3.666 ( 11.210 -0.001 5.468) 12.472 3.714 ( 5.702 8.218 -0.486) 10.014 4.358 ( 0.700 0.874 0.240) 1.145 5.091 ( -9.281 0.982 2.881) 9.768 5.363 ( 1.973 -2.279 2.511) 3.923 6.223 ( -5.925 -5.746 -1.669) 8.421 7.300 ( 13.539 -4.982 -3.025) 14.740 7.765 ( -2.145 -2.183 2.324) 3.843 8.382 ( -2.752 0.676 -0.578) 2.892 24.787 ( -0.445 15.097 -0.086) 15.104 27.579 ( -0.106 6.440 0.157) 6.443 30.284 ( 1.173 -1.759 0.469) 2.166 34.350 ( 0.929 -15.332 -0.342) 15.364 94.201 ( 0.322 8.090 0.152) 8.098 97.121 ( -2.936 -3.197 0.136) 4.343 ======================= Grid point 399 (177/504) ======================= q-point: (-0.43 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -18.936 1.618 -0.125) 19.005 2.810 ( -15.672 0.812 -0.437) 15.699 3.403 ( 4.559 -2.570 -0.091) 5.234 3.790 ( 3.465 7.752 -0.176) 8.493 3.919 ( 12.941 -0.947 1.609) 13.075 4.355 ( -3.238 2.402 0.143) 4.034 4.879 ( -13.146 2.922 0.510) 13.476 5.417 ( 1.330 -3.069 3.515) 4.853 6.032 ( -14.841 -4.299 0.725) 15.468 7.340 ( -3.481 -2.206 -2.281) 4.710 7.938 ( 16.341 -6.245 1.160) 17.532 8.347 ( -0.814 0.894 -0.508) 1.311 24.783 ( 0.040 15.440 -0.087) 15.440 27.571 ( -0.987 6.299 0.164) 6.378 30.290 ( -0.898 -2.257 0.472) 2.475 34.389 ( 3.532 -15.373 -0.266) 15.776 94.211 ( 0.636 8.713 0.173) 8.738 97.090 ( -0.613 -3.039 0.019) 3.100 ======================= Grid point 400 (178/504) ======================= q-point: (-0.36 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -20.876 3.764 3.617) 21.519 2.480 ( -20.701 0.206 0.910) 20.722 3.480 ( 3.920 -2.706 -0.286) 4.772 3.822 ( 0.146 7.408 -2.825) 7.930 4.029 ( -14.996 2.675 2.039) 15.369 4.246 ( 4.579 -0.629 -2.553) 5.281 4.749 ( -0.470 7.044 0.055) 7.060 5.445 ( -1.379 -4.019 3.139) 5.283 5.708 ( -21.480 -2.802 2.354) 21.789 7.260 ( -3.197 -2.209 -0.318) 3.899 8.235 ( 14.793 -6.990 -6.878) 17.749 8.359 ( 2.725 0.909 5.920) 6.580 24.788 ( 0.589 16.006 0.024) 16.017 27.547 ( -1.681 5.885 0.185) 6.123 30.259 ( -2.692 -3.176 0.053) 4.164 34.469 ( 5.492 -15.634 -0.387) 16.575 94.227 ( 1.190 10.068 0.053) 10.139 97.099 ( 1.298 -3.104 0.886) 3.479 ======================= Grid point 401 (179/504) ======================= q-point: (-0.29 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -21.206 5.764 8.828) 23.682 2.094 ( -23.629 0.892 4.217) 24.019 3.463 ( -28.526 6.729 -5.109) 29.751 3.547 ( -3.061 -1.285 0.975) 3.459 3.816 ( -6.601 7.154 2.928) 10.165 4.402 ( 11.659 -2.744 -8.342) 14.596 4.798 ( 4.341 10.105 -0.247) 11.001 5.271 ( -22.440 -2.977 3.365) 22.886 5.461 ( -4.233 -2.560 2.754) 5.662 7.230 ( -0.872 -4.239 1.532) 4.590 8.286 ( 2.212 -1.540 -8.895) 9.294 8.595 ( 13.087 -3.540 6.913) 15.218 24.805 ( 1.221 16.926 0.155) 16.970 27.515 ( -2.054 5.285 0.211) 5.674 30.194 ( -4.203 -4.500 -0.992) 6.237 34.575 ( 6.472 -16.074 -0.597) 17.338 94.257 ( 2.276 12.610 -0.405) 12.820 97.151 ( 3.002 -3.426 3.410) 5.690 ======================= Grid point 402 (180/504) ======================= q-point: (-0.21 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -19.589 4.611 15.266) 25.259 1.712 ( -23.550 4.784 10.574) 26.255 2.791 ( -38.864 14.633 -0.102) 41.528 3.482 ( -12.790 -1.281 1.424) 12.932 3.704 ( -3.116 6.444 -2.350) 7.533 4.505 ( 7.989 -3.356 -13.969) 16.438 4.825 ( -5.863 3.937 -1.129) 7.152 4.981 ( -6.076 6.995 5.347) 10.697 5.420 ( -3.000 -2.720 3.084) 5.090 7.230 ( -0.862 -8.486 0.897) 8.577 8.241 ( -0.441 -2.142 -8.519) 8.795 8.875 ( 12.786 -0.046 6.815) 14.489 24.835 ( 2.058 18.419 0.060) 18.534 27.479 ( -2.041 4.623 0.230) 5.059 30.090 ( -5.940 -6.056 -2.902) 8.965 34.688 ( 6.455 -16.667 -0.695) 17.887 94.307 ( 4.259 16.881 -1.877) 17.511 97.266 ( 5.703 -4.340 8.614) 11.205 ======================= Grid point 403 (181/504) ======================= q-point: (-0.14 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -17.802 -3.521 20.713) 27.538 1.422 ( -19.863 11.974 17.530) 29.073 2.137 ( -33.722 24.960 8.375) 42.782 3.098 ( -27.042 3.547 0.611) 27.281 3.684 ( 1.822 4.045 -4.914) 6.621 4.499 ( 3.143 -3.150 -14.872) 15.523 4.687 ( -5.710 -3.829 1.879) 7.127 5.032 ( 4.117 14.337 2.158) 15.071 5.395 ( -2.128 -1.906 2.412) 3.739 7.175 ( -4.952 -15.428 -4.297) 16.764 8.163 ( -2.589 -2.676 -4.585) 5.906 9.152 ( 12.882 6.450 6.052) 15.626 24.879 ( 3.073 20.542 -0.902) 20.790 27.446 ( -1.658 4.031 0.224) 4.365 29.932 ( -8.727 -6.832 -4.721) 12.047 34.794 ( 5.725 -17.540 -0.697) 18.464 94.380 ( 6.445 22.405 -5.869) 24.041 97.503 ( 11.917 -7.395 15.245) 20.715 ======================= Grid point 404 (182/504) ======================= q-point: (-0.07 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -11.091 -3.755 24.923) 27.537 1.139 ( -22.672 15.403 13.325) 30.477 1.869 ( -8.534 31.705 27.926) 43.104 2.629 ( -22.429 6.579 -0.090) 23.375 3.672 ( 1.288 4.510 -7.296) 8.673 4.461 ( 2.577 -2.831 -8.042) 8.907 4.636 ( -1.886 -8.017 0.309) 8.241 5.121 ( 4.783 14.340 -0.637) 15.130 5.354 ( -3.941 -1.226 -0.069) 4.128 6.995 ( -8.000 -21.641 -8.852) 24.712 8.113 ( -2.257 -1.970 4.190) 5.151 9.393 ( 9.688 12.951 0.748) 16.191 24.922 ( 2.680 22.204 -2.991) 22.565 27.424 ( -0.983 3.630 0.195) 3.765 29.734 ( -8.839 -4.914 -2.402) 10.394 34.877 ( 3.884 -18.769 -1.452) 19.221 94.430 ( 4.776 25.572 -10.974) 28.234 97.875 ( 15.376 -14.636 12.729) 24.752 ======================= Grid point 405 (183/504) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.423 14.256 17.049) 22.876 1.359 ( -1.022 25.180 8.548) 26.611 2.552 ( 3.245 14.514 -1.514) 14.950 2.719 ( -2.960 31.976 27.627) 42.362 3.725 ( -0.147 5.162 -10.761) 11.935 4.391 ( -1.845 -10.122 -3.763) 10.956 4.417 ( 1.805 -3.721 -2.305) 4.735 5.218 ( -1.520 -4.945 0.525) 5.200 5.386 ( 0.360 7.638 -2.050) 7.917 6.454 ( 0.463 -15.055 -16.933) 22.662 8.190 ( -0.951 6.671 7.555) 10.123 9.673 ( -0.032 4.445 3.008) 5.367 25.446 ( -0.012 31.432 -5.329) 31.881 27.515 ( -0.104 6.779 0.263) 6.785 29.548 ( -0.032 -6.403 0.531) 6.425 34.372 ( 0.070 -34.818 -2.134) 34.883 94.860 ( -0.034 22.545 -16.803) 28.118 97.707 ( -0.007 -20.449 9.218) 22.431 ======================= Grid point 406 (184/504) ======================= q-point: ( 0.07 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 5.506 9.863 18.853) 21.978 1.674 ( 19.701 17.978 10.466) 28.651 2.688 ( 13.639 12.436 -1.837) 18.548 2.969 ( 8.005 27.974 25.393) 38.619 3.626 ( -1.730 3.755 -12.251) 12.930 4.241 ( -8.010 -6.094 -5.658) 11.546 4.533 ( 8.140 -6.002 1.924) 10.295 5.223 ( 0.925 -0.973 0.404) 1.402 5.372 ( 0.782 6.139 -3.737) 7.229 6.394 ( 6.019 -19.189 -18.834) 27.553 8.231 ( -1.968 5.394 10.938) 12.353 9.593 ( -9.110 7.063 0.024) 11.527 25.394 ( -2.021 31.108 -3.278) 31.346 27.527 ( 1.235 7.039 0.273) 7.152 29.605 ( 5.509 -6.743 -0.252) 8.711 34.333 ( -2.521 -34.447 -2.463) 34.627 94.722 ( -3.654 21.477 -11.269) 24.527 97.690 ( -7.355 -17.855 7.399) 20.680 ======================= Grid point 407 (185/504) ======================= q-point: ( 0.14 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 12.796 2.007 19.409) 23.334 2.117 ( 20.521 13.379 10.417) 26.620 2.965 ( 15.239 14.082 2.413) 20.889 3.321 ( 13.482 14.356 13.121) 23.664 3.516 ( 0.735 3.005 -10.478) 10.925 4.049 ( -7.843 -2.153 -7.518) 11.076 4.725 ( 10.350 -4.251 4.690) 12.133 5.227 ( -0.605 5.361 0.364) 5.407 5.377 ( 2.027 0.410 -2.390) 3.161 6.390 ( 8.562 -21.114 -20.893) 30.913 8.262 ( -3.539 3.513 11.892) 12.895 9.378 ( -13.506 8.046 -1.124) 15.761 25.339 ( -2.194 30.227 -1.388) 30.339 27.562 ( 2.299 7.766 0.278) 8.104 29.723 ( 7.766 -6.707 -1.127) 10.323 34.253 ( -4.264 -33.585 -2.409) 33.940 94.593 ( -3.701 19.309 -6.237) 20.626 97.578 ( -9.769 -14.245 6.387) 18.416 ======================= Grid point 408 (186/504) ======================= q-point: ( 0.21 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 14.249 -2.100 17.531) 22.689 2.534 ( 17.283 9.428 10.342) 22.238 3.227 ( 10.671 12.080 1.092) 16.155 3.356 ( -0.688 1.512 -8.643) 8.802 3.749 ( 12.931 1.907 5.874) 14.330 3.883 ( -0.972 4.546 -7.245) 8.608 4.933 ( 7.596 2.137 3.386) 8.587 5.246 ( 3.308 1.783 0.646) 3.814 5.412 ( 2.958 -2.458 2.583) 4.633 6.410 ( 9.999 -19.150 -21.408) 30.414 8.259 ( -5.792 1.513 10.904) 12.439 9.113 ( -14.438 7.346 -1.504) 16.269 25.296 ( -1.878 29.340 -0.408) 29.402 27.611 ( 2.890 8.830 0.274) 9.295 29.859 ( 8.127 -5.960 -1.272) 10.158 34.152 ( -4.990 -32.558 -2.080) 33.004 94.504 ( -2.617 17.128 -3.198) 17.620 97.440 ( -9.649 -11.509 5.020) 15.835 ======================= Grid point 409 (187/504) ======================= q-point: ( 0.29 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 13.125 -3.302 14.159) 19.587 2.868 ( 12.189 5.714 8.451) 15.895 3.206 ( -2.767 -2.932 -9.368) 10.198 3.458 ( 7.683 12.086 0.726) 14.340 3.713 ( -3.162 7.099 -3.387) 8.477 4.103 ( 12.899 -2.523 1.126) 13.192 5.029 ( 2.453 7.651 3.203) 8.650 5.292 ( 1.530 -2.168 -3.328) 4.257 5.603 ( 13.044 -7.290 9.116) 17.504 6.462 ( 11.761 -15.019 -19.323) 27.153 8.198 ( -8.610 -0.077 8.405) 12.033 8.852 ( -13.071 5.676 -1.128) 14.295 25.264 ( -1.523 28.768 -0.043) 28.809 27.666 ( 2.896 10.024 0.258) 10.437 29.993 ( 7.380 -4.958 -0.930) 8.939 34.051 ( -4.676 -31.516 -1.591) 31.901 94.451 ( -1.523 15.548 -1.570) 15.701 97.305 ( -8.504 -9.501 3.447) 13.208 ======================= Grid point 410 (188/504) ======================= q-point: ( 0.36 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 8.972 -3.277 8.462) 12.761 3.012 ( -1.622 -0.950 -1.762) 2.576 3.171 ( 6.634 1.076 -0.373) 6.731 3.514 ( -1.525 6.949 1.182) 7.212 3.723 ( 5.081 12.753 -0.651) 13.744 4.262 ( 5.197 -4.280 -0.685) 6.767 5.108 ( 2.769 4.935 5.502) 7.893 5.283 ( 0.388 -2.648 -2.670) 3.781 5.903 ( 12.455 -10.854 4.881) 17.227 6.587 ( 15.346 -11.097 -13.217) 23.095 8.065 ( -11.096 -0.571 5.133) 12.239 8.637 ( -10.154 3.511 -0.193) 10.745 25.240 ( -1.141 28.546 0.022) 28.569 27.716 ( 2.306 11.114 0.237) 11.353 30.108 ( 5.769 -4.105 -0.435) 7.094 33.968 ( -3.393 -30.590 -1.055) 30.796 94.424 ( -0.646 14.629 -0.702) 14.660 97.186 ( -6.773 -7.982 1.982) 10.654 ======================= Grid point 411 (189/504) ======================= q-point: ( 0.43 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -7.969 -1.974 -3.783) 9.039 3.046 ( 4.095 -0.149 5.991) 7.258 3.282 ( 4.743 1.019 -5.378) 7.243 3.510 ( 0.429 3.252 7.165) 7.880 3.820 ( 5.365 11.931 -0.368) 13.086 4.323 ( 3.000 -1.448 -0.370) 3.352 5.172 ( -0.826 1.536 4.968) 5.265 5.278 ( 0.592 -3.181 -1.057) 3.404 6.073 ( 4.580 -11.416 -0.603) 12.315 6.838 ( 18.779 -10.820 -5.284) 22.308 7.885 ( -11.105 0.045 2.513) 11.386 8.485 ( -6.720 1.597 0.262) 6.912 25.224 ( -0.680 28.611 -0.013) 28.619 27.750 ( 1.229 11.875 0.221) 11.941 30.190 ( 3.498 -3.665 -0.014) 5.066 33.919 ( -1.366 -29.913 -0.584) 29.950 94.416 ( 0.081 14.278 -0.225) 14.280 97.092 ( -4.688 -6.882 0.838) 8.369 ======================= Grid point 412 (190/504) ======================= q-point: (-0.50 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -13.240 1.283 -2.704) 13.574 3.061 ( -7.740 1.410 1.155) 7.951 3.297 ( 3.277 -0.463 -2.489) 4.141 3.658 ( 9.655 -0.771 5.524) 11.150 3.906 ( 4.269 10.817 -0.013) 11.629 4.383 ( 3.460 1.758 0.331) 3.895 5.116 ( -7.887 1.314 1.692) 8.173 5.299 ( 1.435 -4.211 1.498) 4.694 6.069 ( -4.155 -9.680 -0.857) 10.568 7.131 ( 14.413 -12.601 -2.032) 19.253 7.739 ( -4.788 0.218 1.309) 4.969 8.397 ( -3.231 0.720 -0.002) 3.310 25.216 ( -0.112 28.895 -0.041) 28.895 27.761 ( -0.120 12.148 0.217) 12.151 30.231 ( 0.865 -3.791 0.215) 3.895 33.912 ( 1.016 -29.587 -0.274) 29.606 94.423 ( 0.822 14.446 0.027) 14.469 97.030 ( -2.522 -6.192 0.145) 6.687 ======================= Grid point 413 (191/504) ======================= q-point: (-0.43 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -15.775 4.911 -0.073) 16.522 2.829 ( -16.334 1.132 -0.826) 16.394 3.362 ( 4.210 -1.562 -0.370) 4.506 3.889 ( 12.197 -2.032 2.073) 12.538 3.971 ( 2.908 10.123 -0.356) 10.539 4.414 ( -2.455 3.558 0.224) 4.329 4.955 ( -8.127 4.496 0.062) 9.288 5.335 ( 0.609 -5.244 2.447) 5.819 5.915 ( -12.930 -7.544 0.957) 15.000 7.246 ( -0.287 -8.630 -1.408) 8.749 7.805 ( 11.193 -5.739 0.478) 12.588 8.366 ( -0.305 0.957 0.099) 1.009 25.220 ( 0.576 29.350 -0.027) 29.356 27.748 ( -1.461 11.873 0.228) 11.965 30.224 ( -1.779 -4.536 0.200) 4.876 33.950 ( 3.267 -29.662 -0.192) 29.842 94.447 ( 1.822 15.178 0.084) 15.288 97.003 ( -0.540 -5.901 0.030) 5.926 ======================= Grid point 414 (192/504) ======================= q-point: (-0.36 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -16.916 8.998 2.333) 19.302 2.496 ( -20.125 1.717 1.211) 20.234 3.433 ( 3.806 -1.957 -0.236) 4.286 3.991 ( -0.245 9.467 -3.523) 10.104 4.076 ( 1.471 0.962 0.198) 1.769 4.248 ( -8.930 2.006 -0.273) 9.156 4.918 ( 3.794 9.306 -0.046) 10.050 5.340 ( -2.642 -6.456 2.402) 7.378 5.633 ( -18.477 -4.773 2.431) 19.238 7.185 ( -4.089 -6.234 -0.623) 7.481 8.054 ( 15.211 -10.059 -3.977) 18.665 8.390 ( 2.014 1.838 3.938) 4.790 25.237 ( 1.419 29.959 -0.008) 29.992 27.714 ( -2.517 11.110 0.249) 11.394 30.170 ( -4.150 -5.851 -0.095) 7.174 34.023 ( 4.931 -30.122 -0.343) 30.525 94.493 ( 3.428 16.604 -0.184) 16.956 97.011 ( 1.100 -5.986 0.747) 6.131 ======================= Grid point 415 (193/504) ======================= q-point: (-0.29 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -17.432 12.001 2.983) 21.373 2.151 ( -20.355 5.599 7.076) 22.265 3.486 ( 1.661 -1.609 -0.734) 2.426 3.686 ( -26.894 12.180 -2.436) 29.624 3.976 ( -5.366 8.869 0.597) 10.384 4.330 ( 10.214 -4.514 -7.282) 13.332 5.013 ( 3.719 9.696 -1.749) 10.531 5.199 ( -14.502 -3.381 3.943) 15.404 5.402 ( -6.506 -3.223 3.247) 7.953 7.109 ( -3.948 -8.323 -0.642) 9.234 8.214 ( 8.169 -5.716 -12.744) 16.180 8.546 ( 9.209 -0.917 13.160) 16.088 25.272 ( 2.495 30.708 -0.123) 30.809 27.664 ( -3.082 10.018 0.274) 10.485 30.074 ( -6.159 -7.545 -0.724) 9.767 34.117 ( 5.715 -30.894 -0.640) 31.424 94.572 ( 6.044 18.784 -1.248) 19.772 97.054 ( 2.517 -6.487 2.798) 7.500 ======================= Grid point 416 (194/504) ======================= q-point: (-0.21 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -17.983 12.020 2.485) 21.772 1.893 ( -16.371 13.801 14.873) 26.071 3.140 ( -29.940 20.001 0.784) 36.015 3.469 ( -7.307 -0.018 0.768) 7.348 3.851 ( -6.102 8.334 -2.858) 10.717 4.419 ( 7.125 -5.405 -13.248) 15.984 4.826 ( -14.731 -1.827 0.262) 14.846 5.193 ( 4.576 10.890 1.999) 11.980 5.356 ( -2.526 -3.224 4.171) 5.846 7.017 ( -5.275 -12.635 -3.596) 14.156 8.218 ( 2.867 -0.031 -11.746) 12.091 8.859 ( 13.765 -1.578 14.716) 20.211 25.326 ( 3.846 31.471 -0.729) 31.714 27.610 ( -3.059 8.819 0.290) 9.339 29.939 ( -7.922 -9.083 -1.598) 12.158 34.215 ( 5.564 -31.884 -0.927) 32.380 94.695 ( 9.569 21.272 -4.314) 23.721 97.147 ( 4.383 -7.784 6.800) 11.227 ======================= Grid point 417 (195/504) ======================= q-point: (-0.14 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -13.368 13.979 6.378) 20.366 1.735 ( -14.718 19.406 15.151) 28.683 2.673 ( -23.235 28.781 9.405) 38.166 3.196 ( -21.632 6.490 0.986) 22.606 3.783 ( 1.163 5.815 -5.293) 7.949 4.409 ( 3.519 -5.804 -15.275) 16.715 4.623 ( -8.415 -2.913 0.511) 8.920 5.265 ( 1.588 6.386 1.122) 6.676 5.360 ( -0.472 -0.100 3.949) 3.978 6.852 ( -7.892 -15.689 -9.901) 20.161 8.182 ( 0.648 4.180 -6.176) 7.486 9.221 ( 14.763 0.452 13.564) 20.053 25.396 ( 4.873 31.833 -2.439) 32.296 27.561 ( -2.471 7.750 0.285) 8.139 29.771 ( -9.025 -9.294 -1.937) 13.099 34.300 ( 4.590 -33.055 -1.149) 33.392 94.840 ( 11.478 22.733 -10.750) 27.642 97.317 ( 7.427 -11.175 11.780) 17.856 ======================= Grid point 418 (196/504) ======================= q-point: (-0.07 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.146 17.484 12.563) 21.530 1.521 ( -17.408 22.497 9.074) 29.858 2.501 ( -6.952 31.351 18.042) 36.834 2.824 ( -18.635 14.273 4.485) 23.898 3.773 ( 1.925 5.476 -7.914) 9.814 4.372 ( 3.351 -6.169 -10.511) 12.640 4.506 ( -5.154 -5.489 -0.620) 7.555 5.260 ( -2.596 -1.650 0.957) 3.222 5.381 ( 0.518 4.596 1.112) 4.757 6.623 ( -6.481 -14.567 -15.058) 21.930 8.168 ( -0.262 6.568 1.457) 6.733 9.536 ( 10.277 2.148 8.707) 13.640 25.451 ( 3.564 31.569 -4.934) 32.151 27.527 ( -1.431 7.026 0.265) 7.175 29.612 ( -6.753 -7.552 -0.603) 10.149 34.359 ( 2.748 -34.252 -1.544) 34.397 94.920 ( 7.273 22.727 -17.271) 29.457 97.553 ( 7.751 -17.325 12.621) 22.793 ======================= Grid point 419 (197/504) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 4.001 22.366 3.671) 23.016 1.849 ( -0.908 24.940 6.539) 25.799 2.835 ( 0.749 15.042 -4.079) 15.603 3.360 ( -0.974 32.364 25.123) 40.982 3.796 ( -0.174 0.898 -14.805) 14.833 4.233 ( -0.271 -4.769 -5.409) 7.216 4.333 ( 0.500 -4.784 -1.543) 5.051 5.098 ( -1.420 -7.400 0.008) 7.535 5.452 ( 0.204 -0.041 3.461) 3.467 6.260 ( 0.462 -6.694 -23.252) 24.201 8.364 ( -0.861 10.667 5.800) 12.172 9.675 ( 0.100 -3.270 8.796) 9.385 26.131 ( -0.037 39.287 -4.598) 39.555 27.675 ( -0.117 9.668 0.350) 9.676 29.396 ( 0.085 -9.211 0.513) 9.225 33.571 ( 0.041 -47.318 -2.445) 47.381 95.244 ( 0.025 17.315 -14.985) 22.899 97.324 ( -0.014 -19.021 8.153) 20.695 ======================= Grid point 420 (198/504) ======================= q-point: ( 0.07 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.785 17.110 10.162) 19.916 2.062 ( 15.337 21.164 6.671) 26.974 2.932 ( 12.432 12.855 -4.208) 18.371 3.532 ( 1.425 27.689 20.542) 34.506 3.661 ( -2.493 -0.201 -14.639) 14.852 4.145 ( -4.397 -2.356 -4.761) 6.895 4.428 ( 8.948 -4.969 0.851) 10.270 5.135 ( 4.748 -6.621 0.046) 8.147 5.461 ( -0.836 1.560 0.625) 1.876 6.121 ( 2.483 -9.625 -23.560) 25.571 8.381 ( -3.166 9.685 9.395) 13.860 9.641 ( -8.639 -1.304 5.089) 10.110 26.082 ( -1.902 39.730 -3.645) 39.942 27.694 ( 1.850 10.034 0.361) 10.209 29.449 ( 5.101 -9.301 0.167) 10.609 33.537 ( -1.797 -47.136 -2.675) 47.246 95.113 ( -3.614 18.696 -11.675) 22.336 97.334 ( -4.215 -18.499 6.528) 20.065 ======================= Grid point 421 (199/504) ======================= q-point: ( 0.14 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 7.328 9.732 14.303) 18.788 2.411 ( 16.847 16.441 7.366) 24.666 3.169 ( 14.638 7.619 -3.809) 16.936 3.493 ( -2.005 -0.537 -13.403) 13.563 3.721 ( 4.158 19.681 13.048) 23.977 4.036 ( -2.962 1.648 -5.583) 6.531 4.645 ( 12.827 -3.710 4.238) 14.009 5.223 ( 3.527 -3.897 0.528) 5.282 5.434 ( -1.674 2.851 -1.056) 3.471 6.038 ( 6.653 -14.902 -22.930) 28.144 8.375 ( -5.508 7.759 10.841) 14.425 9.458 ( -13.955 0.613 2.722) 14.231 26.022 ( -2.315 39.938 -2.267) 40.069 27.745 ( 3.430 10.996 0.361) 11.524 29.569 ( 7.973 -9.144 -0.394) 12.138 33.473 ( -3.123 -46.363 -2.603) 46.541 94.972 ( -4.298 19.320 -7.593) 21.199 97.276 ( -6.373 -16.519 5.174) 18.446 ======================= Grid point 422 (200/504) ======================= q-point: ( 0.21 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 11.204 3.549 15.319) 19.307 2.744 ( 14.042 11.840 6.795) 19.584 3.246 ( -1.384 -4.188 -9.896) 10.835 3.510 ( 10.099 7.107 -3.173) 12.750 3.842 ( 1.256 8.661 4.021) 9.631 4.007 ( 5.297 8.043 -4.453) 10.610 4.926 ( 13.572 -2.064 5.240) 14.694 5.248 ( -0.678 -1.939 0.057) 2.054 5.405 ( -0.364 1.236 0.031) 1.289 6.052 ( 11.482 -17.513 -20.423) 29.251 8.328 ( -7.849 5.501 10.182) 13.984 9.200 ( -15.761 1.701 1.354) 15.910 25.971 ( -2.018 39.886 -1.217) 39.955 27.818 ( 4.320 12.375 0.342) 13.112 29.720 ( 8.904 -8.446 -0.649) 12.290 33.393 ( -3.697 -45.257 -2.242) 45.463 94.860 ( -3.421 19.128 -4.433) 19.931 97.186 ( -6.825 -14.405 3.891) 16.408 ======================= Grid point 423 (201/504) ======================= q-point: ( 0.29 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 12.148 0.234 13.749) 18.348 2.980 ( 7.352 4.687 0.557) 8.737 3.148 ( -0.517 -1.836 -5.310) 5.642 3.628 ( 1.634 3.913 1.798) 4.606 3.882 ( 3.709 10.951 0.318) 11.567 4.120 ( 8.872 4.115 -5.458) 11.200 5.128 ( 3.695 2.164 2.877) 5.159 5.233 ( 0.102 -3.712 -1.117) 3.878 5.475 ( 8.322 -5.472 3.384) 10.519 6.159 ( 13.976 -16.088 -15.603) 26.412 8.231 ( -9.872 3.647 7.881) 13.148 8.927 ( -14.882 1.956 0.786) 15.031 25.933 ( -1.525 39.842 -0.583) 39.875 27.900 ( 4.341 13.901 0.307) 14.567 29.872 ( 8.316 -7.496 -0.586) 11.211 33.314 ( -3.441 -44.057 -1.690) 44.224 94.787 ( -2.155 18.652 -2.408) 18.929 97.090 ( -6.274 -12.517 2.646) 14.249 ======================= Grid point 424 (202/504) ======================= q-point: ( 0.36 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 8.981 -0.644 8.320) 12.260 2.971 ( -1.437 -2.857 -3.878) 5.026 3.221 ( 6.518 3.545 -0.260) 7.424 3.612 ( -4.635 2.436 4.031) 6.608 3.971 ( 4.950 12.548 0.156) 13.490 4.226 ( 7.007 0.963 -4.619) 8.448 5.157 ( -0.393 -0.617 2.025) 2.153 5.229 ( 0.057 -2.398 -0.678) 2.492 5.690 ( 10.842 -10.514 1.877) 15.220 6.337 ( 15.365 -14.532 -9.275) 23.093 8.086 ( -10.882 2.952 4.788) 12.250 8.687 ( -12.090 1.504 0.740) 12.205 25.907 ( -0.981 39.947 -0.239) 39.960 27.973 ( 3.470 15.272 0.269) 15.664 30.004 ( 6.496 -6.663 -0.376) 9.313 33.251 ( -2.405 -42.975 -1.078) 43.056 94.747 ( -0.962 18.260 -1.205) 18.325 97.001 ( -5.101 -10.929 1.536) 12.159 ======================= Grid point 425 (203/504) ======================= q-point: ( 0.43 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -4.929 0.439 -3.394) 6.001 3.037 ( 5.100 -0.804 7.240) 8.893 3.307 ( 4.348 1.488 -5.791) 7.393 3.552 ( -3.859 0.580 5.919) 7.089 4.050 ( 4.012 11.484 -0.233) 12.167 4.323 ( 6.057 1.759 -0.891) 6.370 5.163 ( -0.615 -3.120 2.044) 3.780 5.218 ( -1.119 -2.545 -0.430) 2.813 5.843 ( 5.212 -11.705 -0.519) 12.823 6.576 ( 15.657 -15.774 -3.558) 22.508 7.918 ( -9.817 3.537 1.986) 10.622 8.509 ( -8.121 0.680 0.649) 8.175 25.894 ( -0.391 40.206 -0.059) 40.208 28.024 ( 1.866 16.207 0.242) 16.316 30.096 ( 3.759 -6.221 -0.178) 7.271 33.216 ( -0.773 -42.186 -0.537) 42.197 94.734 ( 0.121 18.096 -0.507) 18.104 96.930 ( -3.567 -9.700 0.669) 10.356 ======================= Grid point 426 (204/504) ======================= q-point: (-0.50 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -9.166 4.401 -1.980) 10.359 3.079 ( -6.956 0.500 1.666) 7.170 3.298 ( 1.572 0.313 -3.127) 3.513 3.632 ( 7.878 -2.008 4.583) 9.333 4.117 ( 3.386 10.629 0.246) 11.158 4.430 ( 5.500 3.161 0.702) 6.383 5.125 ( -5.496 -0.991 0.976) 5.669 5.208 ( 0.706 -4.855 0.303) 4.915 5.866 ( -2.446 -10.823 -0.259) 11.099 6.823 ( 12.450 -18.576 -0.669) 22.372 7.783 ( -5.241 4.203 0.157) 6.720 8.406 ( -3.710 0.069 0.343) 3.727 25.893 ( 0.269 40.557 0.032) 40.558 28.041 ( -0.150 16.511 0.238) 16.514 30.134 ( 0.517 -6.327 -0.083) 6.349 33.217 ( 1.130 -41.811 -0.180) 41.826 94.744 ( 1.262 18.200 -0.131) 18.244 96.883 ( -1.922 -8.881 0.130) 9.087 ======================= Grid point 427 (205/504) ======================= q-point: (-0.43 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -10.793 9.568 0.308) 14.427 2.856 ( -15.382 1.751 -1.417) 15.546 3.340 ( 3.381 -0.860 -0.399) 3.511 3.836 ( 11.166 -3.452 1.726) 11.814 4.171 ( 2.272 10.160 0.066) 10.411 4.490 ( -1.428 4.169 0.348) 4.420 5.030 ( -2.921 2.713 -0.006) 3.986 5.225 ( 0.077 -5.695 1.358) 5.855 5.752 ( -10.287 -8.789 1.111) 13.575 6.979 ( 4.470 -18.458 -0.334) 18.994 7.765 ( 4.043 1.635 -0.569) 4.398 8.378 ( 0.153 0.081 0.569) 0.595 25.904 ( 1.026 40.917 0.056) 40.930 28.022 ( -2.154 16.124 0.257) 16.269 30.112 ( -2.766 -7.015 -0.121) 7.542 33.253 ( 2.894 -41.905 -0.090) 42.005 94.779 ( 2.732 18.565 -0.042) 18.765 96.863 ( -0.390 -8.489 0.026) 8.498 ======================= Grid point 428 (206/504) ======================= q-point: (-0.36 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -11.315 14.880 0.040) 18.693 2.556 ( -17.017 4.698 2.222) 17.793 3.401 ( 3.514 -1.567 -0.346) 3.863 4.031 ( 10.139 -4.128 -3.026) 11.358 4.188 ( -0.460 9.715 -1.963) 9.922 4.337 ( -14.363 6.310 1.724) 15.782 5.073 ( 6.585 6.121 -0.170) 8.992 5.213 ( -3.151 -6.098 1.645) 7.058 5.530 ( -14.625 -5.707 2.571) 15.909 6.984 ( -2.310 -15.117 -1.741) 15.391 7.909 ( 11.774 -3.634 -1.881) 12.465 8.418 ( 2.935 0.750 3.231) 4.429 25.931 ( 1.916 41.201 -0.022) 41.246 27.970 ( -3.730 15.131 0.291) 15.587 30.034 ( -5.669 -8.183 -0.289) 9.959 33.316 ( 4.145 -42.455 -0.279) 42.658 94.844 ( 4.823 19.104 -0.405) 19.707 96.870 ( 0.892 -8.512 0.547) 8.576 ======================= Grid point 429 (207/504) ======================= q-point: (-0.29 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -13.046 17.230 -5.097) 22.205 2.323 ( -13.233 12.197 11.383) 21.294 3.455 ( 2.571 -1.687 -0.653) 3.143 3.938 ( -20.027 13.268 -2.160) 24.120 4.122 ( -0.193 3.213 -6.974) 7.681 4.256 ( 3.566 -0.235 0.364) 3.592 5.051 ( -12.810 -3.377 -0.585) 13.260 5.230 ( 5.586 3.693 1.219) 6.806 5.346 ( -6.180 -2.105 4.406) 7.876 6.897 ( -4.627 -14.005 -4.550) 15.435 8.111 ( 12.466 -3.618 -6.727) 14.620 8.546 ( 6.772 0.351 10.786) 12.741 25.974 ( 2.948 41.291 -0.314) 41.397 27.896 ( -4.569 13.738 0.324) 14.482 29.908 ( -7.886 -9.541 -0.562) 12.391 33.393 ( 4.658 -43.375 -0.678) 43.630 94.949 ( 7.607 19.504 -1.712) 21.005 96.904 ( 1.964 -8.986 2.020) 9.417 ======================= Grid point 430 (208/504) ======================= q-point: (-0.21 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -11.823 19.860 -6.319) 23.961 2.222 ( -9.389 19.440 15.162) 26.381 3.452 ( -5.109 2.084 -1.539) 5.728 3.555 ( -19.326 18.131 3.267) 26.700 4.008 ( -6.075 6.994 -5.896) 10.981 4.310 ( 4.676 -4.988 -9.564) 11.756 4.790 ( -13.860 -1.606 0.422) 13.959 5.264 ( -1.259 -2.501 2.501) 3.755 5.367 ( 1.459 2.786 3.874) 4.989 6.760 ( -4.929 -13.871 -9.605) 17.577 8.239 ( 8.046 2.249 -8.798) 12.132 8.821 ( 12.475 -2.113 16.775) 21.011 26.032 ( 3.945 41.002 -1.048) 41.205 27.815 ( -4.529 12.221 0.346) 13.038 29.748 ( -9.127 -10.553 -0.803) 13.975 33.470 ( 4.397 -44.524 -1.152) 44.756 95.090 ( 10.260 19.139 -4.839) 22.249 96.972 ( 3.108 -10.177 4.732) 11.645 ======================= Grid point 431 (209/504) ======================= q-point: (-0.14 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -4.777 24.409 -3.647) 25.138 2.143 ( -10.843 22.128 11.146) 27.045 3.190 ( -16.200 20.807 3.381) 26.585 3.361 ( -12.779 13.169 7.193) 19.709 3.893 ( -0.215 4.962 -7.940) 9.365 4.292 ( 2.647 -5.517 -13.032) 14.397 4.578 ( -9.981 -1.522 -0.414) 10.105 5.256 ( -2.475 -3.258 2.044) 4.573 5.389 ( -1.844 -0.687 5.565) 5.903 6.593 ( -3.492 -11.576 -16.085) 20.123 8.299 ( 4.316 7.346 -5.006) 9.882 9.187 ( 13.932 -3.378 16.824) 22.103 26.095 ( 4.207 40.212 -2.437) 40.505 27.743 ( -3.640 10.875 0.350) 11.473 29.579 ( -8.703 -10.582 -0.656) 13.716 33.532 ( 3.454 -45.737 -1.603) 45.895 95.231 ( 10.335 17.721 -10.046) 22.843 97.084 ( 4.348 -12.729 7.977) 15.638 ======================= Grid point 432 (210/504) ======================= q-point: (-0.07 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 4.478 26.045 0.026) 26.427 1.974 ( -13.296 23.691 6.026) 27.827 2.955 ( -10.609 16.015 -1.800) 19.294 3.259 ( -7.237 28.997 21.063) 36.563 3.862 ( 2.755 2.577 -11.600) 12.198 4.251 ( 2.387 -5.046 -10.139) 11.574 4.418 ( -6.987 -3.499 -1.256) 7.914 5.177 ( -6.261 -6.087 0.512) 8.747 5.413 ( 0.013 -1.155 5.942) 6.053 6.421 ( -1.198 -7.877 -21.098) 22.552 8.335 ( 1.542 10.082 0.585) 10.216 9.511 ( 9.205 -3.944 13.413) 16.739 26.138 ( 2.708 39.362 -4.063) 39.664 27.693 ( -2.074 9.966 0.345) 10.185 29.444 ( -5.471 -9.732 0.045) 11.165 33.569 ( 1.938 -46.783 -2.037) 46.868 95.297 ( 5.994 16.632 -14.632) 22.949 97.224 ( 3.837 -16.561 9.331) 19.392 ======================= Grid point 433 (211/504) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 2.973 24.311 -6.153) 25.253 2.313 ( -0.908 22.696 5.138) 23.288 3.116 ( 0.300 13.247 -4.086) 13.866 3.708 ( -0.424 -7.851 -17.850) 19.505 3.950 ( -0.170 26.099 20.344) 33.092 4.220 ( 3.688 -1.864 -2.877) 5.035 4.277 ( -3.584 4.333 -4.819) 7.406 4.933 ( -1.275 -9.572 -0.648) 9.678 5.423 ( 0.271 -2.171 5.061) 5.514 6.129 ( 0.427 -7.859 -22.297) 23.646 8.587 ( -0.776 12.093 5.465) 13.293 9.573 ( 0.106 -6.775 11.172) 13.066 26.968 ( -0.078 47.076 -3.745) 47.225 27.886 ( -0.086 11.995 0.428) 12.003 29.195 ( 0.181 -11.549 0.506) 11.562 32.562 ( 0.013 -56.169 -2.853) 56.241 95.547 ( 0.080 14.320 -10.965) 18.036 96.971 ( 0.000 -17.445 5.233) 18.213 ======================= Grid point 434 (212/504) ======================= q-point: ( 0.07 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -1.353 20.420 0.221) 20.466 2.470 ( 11.721 20.504 4.518) 24.046 3.167 ( 7.661 10.476 -4.506) 13.738 3.556 ( -1.787 -7.651 -17.650) 19.319 4.050 ( -2.247 22.165 14.289) 26.467 4.181 ( -2.236 5.647 -6.481) 8.882 4.351 ( 10.394 -1.771 2.336) 10.800 4.982 ( 6.433 -8.985 -0.214) 11.052 5.446 ( -0.658 -2.233 2.479) 3.400 5.969 ( -1.077 -7.441 -21.706) 22.972 8.591 ( -4.194 11.617 8.356) 14.912 9.567 ( -7.847 -5.869 8.028) 12.668 26.928 ( -1.504 47.405 -3.392) 47.550 27.912 ( 2.604 12.424 0.445) 12.701 29.246 ( 5.040 -11.500 0.347) 12.561 32.531 ( -1.167 -56.026 -3.003) 56.119 95.448 ( -2.750 16.125 -9.345) 18.839 96.981 ( -2.404 -17.794 4.271) 18.457 ======================= Grid point 435 (213/504) ======================= q-point: ( 0.14 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 3.155 14.942 5.781) 16.329 2.735 ( 13.171 16.581 4.518) 21.652 3.240 ( 1.698 -1.727 -8.709) 9.039 3.472 ( 6.627 0.684 -10.909) 12.783 4.062 ( -2.012 12.290 -0.901) 12.486 4.142 ( 1.318 10.653 1.216) 10.803 4.596 ( 13.458 -0.876 4.525) 14.225 5.119 ( 6.988 -6.594 1.071) 9.667 5.437 ( -1.331 -2.353 0.604) 2.770 5.807 ( 0.091 -9.543 -20.487) 22.601 8.551 ( -7.168 10.137 9.596) 15.692 9.419 ( -13.263 -4.280 5.575) 15.010 26.875 ( -1.925 47.816 -2.547) 47.923 27.983 ( 4.767 13.468 0.435) 14.293 29.370 ( 8.266 -11.290 -0.007) 13.992 32.481 ( -2.021 -55.362 -2.855) 55.472 95.332 ( -3.665 17.812 -6.794) 19.413 96.949 ( -3.938 -17.046 3.314) 17.806 ======================= Grid point 436 (214/504) ======================= q-point: ( 0.21 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 7.565 8.717 9.416) 14.895 2.971 ( 9.290 10.573 1.085) 14.116 3.149 ( -1.242 -4.804 -8.720) 10.033 3.582 ( 7.352 1.484 -2.961) 8.064 4.035 ( 2.158 9.723 -3.880) 10.688 4.194 ( 3.622 10.840 -1.529) 11.531 4.880 ( 14.242 -2.384 3.691) 14.905 5.198 ( 0.325 -2.641 1.119) 2.887 5.410 ( -2.650 -1.448 1.495) 3.369 5.735 ( 8.096 -15.045 -17.916) 24.757 8.465 ( -9.485 8.355 8.970) 15.499 9.187 ( -15.505 -2.703 3.800) 16.191 26.827 ( -1.673 48.173 -1.664) 48.231 28.084 ( 5.983 14.925 0.386) 16.084 29.533 ( 9.566 -10.807 -0.262) 14.435 32.422 ( -2.383 -54.363 -2.423) 54.469 95.230 ( -3.205 18.850 -4.401) 19.621 96.892 ( -4.453 -15.820 2.446) 16.616 ======================= Grid point 437 (215/504) ======================= q-point: ( 0.29 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 10.132 3.743 10.792) 15.269 2.984 ( -1.029 -3.497 -9.362) 10.047 3.199 ( 6.186 6.147 1.090) 8.788 3.643 ( -0.077 -1.078 1.414) 1.780 4.098 ( 6.106 10.030 -1.197) 11.803 4.240 ( 4.781 7.702 -6.953) 11.425 5.111 ( 6.684 -2.999 0.086) 7.326 5.178 ( -1.359 -1.597 1.738) 2.724 5.386 ( 1.246 -4.096 1.545) 4.551 5.842 ( 13.568 -16.472 -11.109) 24.059 8.336 ( -10.761 6.963 6.846) 14.531 8.930 ( -15.029 -1.495 2.515) 15.311 26.792 ( -1.156 48.531 -0.941) 48.554 28.196 ( 6.006 16.514 0.307) 17.575 29.701 ( 9.083 -10.193 -0.343) 13.657 32.366 ( -2.171 -53.265 -1.796) 53.339 95.157 ( -2.152 19.323 -2.610) 19.617 96.827 ( -4.206 -14.469 1.658) 15.159 ======================= Grid point 438 (216/504) ======================= q-point: ( 0.36 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 8.792 1.333 8.035) 11.985 2.914 ( 0.010 -2.808 -3.947) 4.844 3.294 ( 4.908 3.824 -2.796) 6.821 3.610 ( -4.942 -2.040 2.792) 6.031 4.197 ( 4.143 10.479 0.449) 11.277 4.288 ( 6.310 4.598 -5.937) 9.808 5.108 ( -1.649 -2.995 -0.979) 3.556 5.184 ( -1.747 -2.862 1.856) 3.833 5.508 ( 8.712 -8.182 0.477) 11.961 6.035 ( 13.696 -16.210 -5.427) 21.905 8.179 ( -10.602 6.420 3.985) 13.019 8.693 ( -12.538 -0.842 1.517) 12.658 26.772 ( -0.578 48.934 -0.410) 48.939 28.297 ( 4.803 17.922 0.222) 18.555 29.846 ( 7.089 -9.657 -0.319) 11.984 32.323 ( -1.395 -52.287 -1.106) 52.317 95.116 ( -0.982 19.485 -1.417) 19.561 96.767 ( -3.447 -13.182 0.969) 13.659 ======================= Grid point 439 (217/504) ======================= q-point: ( 0.43 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -1.908 2.650 -2.409) 4.058 3.015 ( 6.297 -1.368 8.036) 10.301 3.336 ( 2.631 1.412 -6.280) 6.953 3.530 ( -4.017 -2.439 2.552) 5.348 4.254 ( 3.036 9.364 -0.680) 9.868 4.386 ( 6.188 4.226 0.068) 7.493 5.082 ( -0.781 -4.312 0.006) 4.382 5.155 ( -2.261 -4.334 0.766) 4.948 5.638 ( 5.030 -9.014 -0.377) 10.329 6.247 ( 12.175 -17.673 -1.619) 21.522 8.020 ( -8.771 6.658 1.254) 11.083 8.508 ( -8.641 -0.774 0.689) 8.703 26.765 ( 0.004 49.355 -0.058) 49.355 28.367 ( 2.587 18.857 0.161) 19.035 29.945 ( 3.972 -9.371 -0.285) 10.182 32.303 ( -0.173 -51.589 -0.494) 51.592 95.101 ( 0.175 19.518 -0.674) 19.530 96.719 ( -2.388 -12.091 0.423) 12.332 ======================= Grid point 440 (218/504) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -4.172 7.377 -0.379) 8.483 3.084 ( -5.051 0.084 1.586) 5.295 3.303 ( 0.029 0.146 -2.594) 2.598 3.580 ( 7.172 -3.331 2.095) 8.181 4.307 ( 2.825 8.797 0.367) 9.247 4.500 ( 5.639 3.763 1.269) 6.898 5.067 ( -1.925 -4.392 0.738) 4.852 5.123 ( -0.796 -4.168 0.064) 4.244 5.673 ( -1.259 -8.501 0.075) 8.594 6.438 ( 9.251 -20.512 0.245) 22.503 7.894 ( -5.005 6.985 -0.602) 8.614 8.397 ( -4.036 -1.093 0.156) 4.184 26.771 ( 0.594 49.716 0.129) 49.720 28.390 ( -0.195 19.120 0.148) 19.122 29.982 ( 0.242 -9.432 -0.298) 9.440 32.310 ( 1.240 -51.265 -0.089) 51.280 95.112 ( 1.411 19.493 -0.261) 19.546 96.688 ( -1.223 -11.289 0.071) 11.355 ======================= Grid point 441 (219/504) ======================= q-point: (-0.43 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -4.782 13.464 1.546) 14.371 2.902 ( -12.148 3.130 -2.375) 12.768 3.322 ( 2.136 -1.167 -0.185) 2.441 3.755 ( 9.758 -4.874 1.275) 10.982 4.354 ( 1.870 8.529 0.284) 8.736 4.569 ( -0.343 3.843 0.351) 3.874 5.046 ( 1.069 -1.088 1.007) 1.828 5.129 ( 0.482 -3.961 0.460) 4.017 5.593 ( -7.897 -7.116 1.081) 10.685 6.570 ( 4.882 -22.800 0.047) 23.317 7.847 ( 0.888 6.242 -1.113) 6.402 8.366 ( 0.355 -1.387 0.451) 1.501 26.788 ( 1.220 49.923 0.152) 49.938 28.362 ( -2.949 18.660 0.185) 18.892 29.950 ( -3.524 -9.859 -0.363) 10.476 32.345 ( 2.505 -51.358 0.014) 51.419 95.149 ( 2.913 19.377 -0.163) 19.595 96.676 ( -0.117 -10.816 -0.011) 10.816 ======================= Grid point 442 (220/504) ======================= q-point: (-0.36 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -6.126 18.298 -4.600) 19.837 2.682 ( -11.082 8.405 5.720) 15.039 3.365 ( 2.882 -2.249 -0.527) 3.693 3.926 ( 9.238 -6.470 -2.233) 11.498 4.367 ( -0.682 8.515 -1.942) 8.760 4.465 ( -10.464 6.451 1.868) 12.434 5.120 ( -1.907 -3.006 0.840) 3.658 5.147 ( 7.238 1.487 0.138) 7.390 5.421 ( -11.367 -5.197 2.660) 12.778 6.608 ( 0.410 -22.778 -2.559) 22.925 7.919 ( 7.704 3.941 -0.644) 8.677 8.414 ( 3.829 -1.203 2.525) 4.742 26.817 ( 1.907 49.886 -0.010) 49.922 28.290 ( -5.101 17.587 0.250) 18.314 29.853 ( -6.763 -10.564 -0.448) 12.552 32.397 ( 3.320 -51.865 -0.211) 51.972 95.216 ( 4.805 19.013 -0.524) 19.618 96.683 ( 0.826 -10.679 0.309) 10.715 ======================= Grid point 443 (221/504) ======================= q-point: (-0.29 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -9.007 18.608 -10.360) 23.124 2.617 ( -5.304 17.851 13.164) 22.805 3.413 ( 2.893 -2.834 -1.251) 4.239 4.042 ( 7.192 -7.160 -8.590) 13.296 4.192 ( -14.456 12.088 -1.404) 18.896 4.369 ( -4.080 8.136 3.373) 9.707 4.999 ( -11.472 -1.222 -0.317) 11.541 5.236 ( -0.844 -1.835 0.601) 2.108 5.325 ( 0.754 -1.227 4.063) 4.311 6.559 ( -1.602 -20.688 -7.405) 22.031 8.101 ( 12.315 2.494 -1.232) 12.625 8.543 ( 6.851 -0.968 7.610) 10.286 26.857 ( 2.620 49.531 -0.406) 49.602 28.188 ( -6.238 16.129 0.315) 17.296 29.706 ( -8.989 -11.339 -0.511) 14.479 32.457 ( 3.542 -52.722 -0.696) 52.845 95.315 ( 6.885 18.120 -1.696) 19.458 96.710 ( 1.591 -10.918 1.221) 11.101 ======================= Grid point 444 (222/504) ======================= q-point: (-0.21 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -5.688 22.841 -9.686) 25.453 2.622 ( -4.770 21.299 11.793) 24.808 3.439 ( 0.628 -2.213 -1.985) 3.039 3.922 ( -14.367 17.381 2.452) 22.683 4.048 ( 0.948 -3.479 -12.283) 12.801 4.307 ( -3.760 6.038 -0.214) 7.117 4.770 ( -12.491 -0.389 0.752) 12.520 5.219 ( -1.407 -1.668 2.028) 2.979 5.354 ( -2.429 -3.784 3.997) 6.016 6.465 ( -0.384 -17.083 -13.530) 21.795 8.307 ( 11.315 4.682 -3.150) 12.644 8.779 ( 10.967 -2.369 14.197) 18.095 26.904 ( 3.157 48.831 -1.117) 48.945 28.076 ( -6.173 14.565 0.362) 15.823 29.531 ( -9.749 -11.881 -0.472) 15.376 32.512 ( 3.192 -53.788 -1.314) 53.898 95.434 ( 8.260 16.484 -4.109) 18.891 96.758 ( 2.254 -11.711 2.834) 12.258 ======================= Grid point 445 (223/504) ======================= q-point: (-0.14 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.171 26.311 -8.189) 27.556 2.574 ( -8.278 21.895 6.379) 24.262 3.378 ( -6.222 3.309 -2.558) 7.498 3.756 ( -7.321 20.381 9.077) 23.481 3.942 ( -1.599 0.330 -11.928) 12.039 4.245 ( -0.973 2.080 -4.900) 5.411 4.573 ( -9.837 1.163 -0.576) 9.923 5.174 ( -6.310 -5.656 0.784) 8.511 5.330 ( -2.235 -3.781 7.014) 8.276 6.365 ( 1.684 -12.894 -18.708) 22.784 8.454 ( 7.094 8.409 -1.854) 11.157 9.107 ( 12.457 -4.643 16.254) 20.998 26.950 ( 3.046 47.921 -2.156) 48.066 27.977 ( -4.941 13.189 0.387) 14.089 29.361 ( -8.521 -11.964 -0.209) 14.690 32.551 ( 2.390 -54.869 -1.934) 54.955 95.540 ( 7.488 14.536 -7.555) 18.012 96.830 ( 2.689 -13.352 4.694) 14.407 ======================= Grid point 446 (224/504) ======================= q-point: (-0.07 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 5.875 26.864 -6.814) 28.331 2.423 ( -10.764 22.314 2.889) 24.942 3.215 ( -7.553 10.844 -3.429) 13.652 3.769 ( 0.666 11.169 4.701) 12.136 3.861 ( -0.461 8.223 -3.021) 8.773 4.210 ( 0.601 0.172 -3.932) 3.982 4.403 ( -7.283 3.292 -3.244) 8.626 5.029 ( -8.175 -9.122 -0.013) 12.249 5.372 ( 0.461 -2.329 6.973) 7.366 6.260 ( 1.892 -9.718 -21.499) 23.669 8.543 ( 2.993 11.059 1.681) 11.580 9.407 ( 8.087 -6.325 14.417) 17.699 26.977 ( 1.832 47.207 -3.238) 47.353 27.909 ( -2.776 12.269 0.405) 12.586 29.236 ( -4.961 -11.721 0.238) 12.730 32.569 ( 1.275 -55.739 -2.468) 55.808 95.585 ( 4.175 13.555 -10.403) 17.590 96.912 ( 2.092 -15.665 5.635) 16.779 ======================= Grid point 447 (225/504) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 2.060 22.290 -12.699) 25.736 2.722 ( -0.603 19.381 3.717) 19.743 3.305 ( 0.146 4.916 -2.813) 5.665 3.502 ( -0.054 -12.424 -19.835) 23.405 4.184 ( 1.938 0.977 -1.053) 2.413 4.360 ( -1.030 14.822 11.924) 19.051 4.477 ( -1.436 13.486 -3.707) 14.060 4.731 ( -0.580 -10.940 -1.003) 11.001 5.392 ( 0.191 -0.205 3.848) 3.859 5.938 ( 0.376 -11.909 -17.265) 20.977 8.822 ( -0.654 11.953 6.389) 13.569 9.424 ( -0.023 -8.489 11.154) 14.017 27.948 ( -0.246 53.624 -3.338) 53.729 28.136 ( 0.076 13.947 0.454) 13.954 28.953 ( 0.253 -13.249 0.512) 13.261 31.421 ( -0.003 -60.934 -3.132) 61.014 95.812 ( 0.108 13.389 -7.153) 15.181 96.647 ( 0.032 -16.042 2.139) 16.184 ======================= Grid point 448 (226/504) ======================= q-point: ( 0.07 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -2.314 19.598 -7.387) 21.072 2.844 ( 9.219 17.881 2.518) 20.275 3.259 ( -2.487 -4.359 -9.615) 10.846 3.427 ( 5.877 -2.972 -11.820) 13.531 4.249 ( 5.329 2.509 -0.215) 5.894 4.345 ( -1.571 9.655 -7.731) 12.468 4.490 ( 1.439 12.177 7.595) 14.423 4.801 ( 7.637 -9.032 0.370) 11.834 5.404 ( -1.164 -1.201 1.994) 2.603 5.804 ( -2.880 -9.660 -14.245) 17.451 8.821 ( -5.037 11.901 8.124) 15.265 9.427 ( -7.111 -8.310 9.048) 14.195 27.909 ( -1.373 53.296 -3.187) 53.409 28.172 ( 3.408 14.538 0.477) 14.940 29.007 ( 5.199 -12.991 0.391) 13.999 31.393 ( -0.656 -60.792 -3.245) 60.882 95.747 ( -1.858 14.969 -6.442) 16.402 96.647 ( -1.460 -16.752 1.668) 16.898 ======================= Grid point 449 (227/504) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.672 16.050 -2.377) 16.239 3.034 ( 8.645 12.501 -0.308) 15.202 3.127 ( -1.571 -6.868 -10.329) 12.503 3.503 ( 7.419 0.649 -5.305) 9.144 4.257 ( 0.032 10.069 -10.697) 14.690 4.346 ( 4.187 8.197 0.259) 9.208 4.614 ( 8.590 1.673 3.088) 9.280 4.974 ( 10.245 -8.215 1.062) 13.175 5.378 ( -2.235 -2.386 -0.450) 3.301 5.645 ( -5.270 -7.633 -9.833) 13.518 8.756 ( -8.504 10.802 8.728) 16.285 9.306 ( -12.170 -7.147 7.120) 15.808 27.862 ( -1.541 53.439 -2.579) 53.524 28.262 ( 6.065 15.340 0.448) 16.502 29.135 ( 8.502 -12.735 0.109) 15.313 31.355 ( -1.113 -60.264 -3.043) 60.351 95.665 ( -2.691 16.663 -5.039) 17.615 96.620 ( -2.474 -16.824 1.226) 17.049 ======================= Grid point 450 (228/504) ======================= q-point: ( 0.21 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 4.387 11.257 1.943) 12.237 2.981 ( -1.314 -7.023 -11.689) 13.700 3.226 ( 7.067 10.033 1.690) 12.387 3.586 ( 4.050 -1.158 -2.182) 4.744 4.216 ( 3.497 9.229 -9.122) 13.439 4.390 ( 2.116 8.547 -3.596) 9.511 4.833 ( 13.681 -2.389 -0.017) 13.888 5.146 ( 5.033 -3.840 3.628) 7.296 5.337 ( -0.616 -5.320 -1.066) 5.460 5.498 ( -3.095 -8.393 -7.535) 11.696 8.640 ( -10.693 9.363 7.916) 16.269 9.105 ( -14.446 -5.572 5.383) 16.393 27.822 ( -1.138 53.942 -1.809) 53.984 28.389 ( 7.573 16.454 0.348) 18.116 29.304 ( 9.856 -12.675 -0.110) 16.056 31.313 ( -1.298 -59.500 -2.558) 59.569 95.587 ( -2.530 17.973 -3.517) 18.488 96.579 ( -2.837 -16.438 0.875) 16.704 ======================= Grid point 451 (229/504) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 7.415 6.151 5.344) 11.017 2.898 ( -0.056 -4.982 -8.556) 9.901 3.327 ( 4.132 6.590 -1.483) 7.918 3.606 ( -0.851 -2.641 -0.425) 2.807 4.260 ( 6.290 7.153 -4.551) 10.556 4.387 ( 2.049 6.276 -7.028) 9.642 5.060 ( 9.909 -1.600 -2.401) 10.321 5.163 ( -3.567 0.125 4.207) 5.517 5.306 ( -3.639 -4.191 3.023) 6.320 5.532 ( 11.884 -15.015 -6.693) 20.285 8.487 ( -11.364 8.222 5.885) 15.211 8.875 ( -14.195 -4.072 3.683) 15.220 27.796 ( -0.565 54.605 -1.059) 54.618 28.530 ( 7.608 17.730 0.197) 19.294 29.478 ( 9.365 -12.729 -0.208) 15.804 31.275 ( -1.146 -58.705 -1.883) 58.746 95.528 ( -1.799 18.771 -2.231) 18.988 96.534 ( -2.658 -15.775 0.584) 16.008 ======================= Grid point 452 (230/504) ======================= q-point: ( 0.36 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 7.952 2.273 6.301) 10.397 2.866 ( 1.842 -2.212 -3.403) 4.457 3.364 ( 2.733 3.374 -4.929) 6.568 3.554 ( -4.112 -3.341 -0.864) 5.368 4.357 ( 5.196 5.553 0.284) 7.610 4.385 ( 3.382 5.150 -5.873) 8.512 5.071 ( -3.368 -0.719 -0.270) 3.455 5.125 ( -4.471 -2.664 1.937) 5.553 5.377 ( 8.102 -4.947 0.779) 9.525 5.728 ( 12.142 -14.933 -2.445) 19.401 8.320 ( -10.491 7.662 3.211) 13.382 8.656 ( -12.047 -2.986 1.974) 12.568 27.786 ( -0.022 55.273 -0.428) 55.275 28.657 ( 6.099 18.904 0.036) 19.863 29.629 ( 7.285 -12.805 -0.230) 14.734 31.248 ( -0.613 -58.062 -1.147) 58.076 95.492 ( -0.854 19.142 -1.290) 19.204 96.493 ( -2.107 -14.986 0.330) 15.137 ======================= Grid point 453 (231/504) ======================= q-point: ( 0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 1.389 3.574 -0.413) 3.857 2.985 ( 6.794 -1.793 7.729) 10.446 3.360 ( 0.699 1.111 -6.535) 6.665 3.474 ( -2.014 -3.049 -2.108) 4.218 4.404 ( 2.688 5.984 -1.174) 6.665 4.466 ( 4.870 3.580 1.495) 6.226 5.013 ( -2.478 -2.638 0.114) 3.621 5.062 ( -3.154 -4.675 1.076) 5.741 5.510 ( 5.379 -3.826 0.104) 6.602 5.915 ( 9.372 -15.924 -0.195) 18.478 8.162 ( -8.273 7.590 0.622) 11.245 8.477 ( -8.557 -2.522 0.474) 8.933 27.789 ( 0.433 55.826 0.027) 55.828 28.743 ( 3.288 19.682 -0.079) 19.955 29.730 ( 4.019 -12.858 -0.254) 13.474 31.239 ( 0.273 -57.655 -0.487) 57.658 95.479 ( 0.151 19.206 -0.669) 19.218 96.464 ( -1.344 -14.201 0.115) 14.265 ======================= Grid point 454 (232/504) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.738 8.266 2.330) 8.619 3.083 ( -1.646 -0.260 2.096) 2.678 3.306 ( -1.209 0.456 -2.654) 2.952 3.505 ( 6.543 -4.344 -1.500) 7.996 4.452 ( 2.574 6.059 0.531) 6.604 4.562 ( 4.555 2.358 1.734) 5.414 4.986 ( -0.776 -3.427 0.486) 3.547 5.036 ( -0.220 -4.538 0.956) 4.643 5.559 ( -0.310 -2.773 0.357) 2.813 6.055 ( 5.793 -18.362 0.743) 19.269 8.040 ( -4.787 7.684 -1.114) 9.121 8.361 ( -4.254 -2.692 -0.415) 5.051 27.801 ( 0.814 56.164 0.263) 56.170 28.770 ( -0.253 19.834 -0.102) 19.836 29.766 ( 0.099 -12.886 -0.327) 12.890 31.252 ( 1.323 -57.478 -0.039) 57.493 95.488 ( 1.231 19.026 -0.315) 19.068 96.447 ( -0.500 -13.513 -0.037) 13.522 ======================= Grid point 455 (233/504) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 0.174 13.027 5.447) 14.121 2.981 ( -6.516 5.173 -5.277) 9.852 3.295 ( 0.379 -1.320 -0.037) 1.374 3.645 ( 8.113 -6.628 0.540) 10.490 4.496 ( 1.760 6.089 0.435) 6.353 4.628 ( 0.616 1.903 0.254) 2.016 5.011 ( 3.439 -1.745 1.889) 4.295 5.067 ( 2.639 -2.831 0.778) 3.947 5.500 ( -6.537 -1.792 0.774) 6.823 6.131 ( 2.236 -21.636 0.177) 21.752 7.985 ( 0.024 7.539 -1.409) 7.670 8.322 ( 0.282 -3.168 -0.175) 3.185 27.821 ( 1.169 56.201 0.264) 56.214 28.733 ( -3.732 19.317 -0.025) 19.674 29.729 ( -3.849 -12.904 -0.431) 13.472 31.284 ( 2.208 -57.526 0.084) 57.569 95.519 ( 2.469 18.573 -0.232) 18.738 96.445 ( 0.325 -12.967 -0.082) 12.971 ======================= Grid point 456 (234/504) ======================= q-point: (-0.36 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -6.682 10.718 -7.244) 14.560 2.927 ( 0.051 16.801 7.387) 18.353 3.312 ( 1.714 -2.959 -0.627) 3.477 3.783 ( 7.152 -8.436 -1.085) 11.113 4.513 ( -0.121 6.441 -1.203) 6.554 4.573 ( -6.280 4.407 1.497) 7.817 5.099 ( 2.408 0.804 0.817) 2.667 5.151 ( 6.495 -0.591 0.498) 6.541 5.346 ( -10.586 -1.806 1.936) 10.912 6.141 ( 0.105 -24.423 -2.592) 24.561 8.031 ( 5.801 6.874 -0.215) 8.997 8.370 ( 4.437 -3.357 1.662) 5.807 27.847 ( 1.549 55.894 0.027) 55.915 28.640 ( -6.409 18.291 0.110) 19.382 29.625 ( -7.192 -12.902 -0.504) 14.779 31.329 ( 2.658 -57.845 -0.158) 57.906 95.573 ( 3.867 17.746 -0.517) 18.170 96.457 ( 1.051 -12.583 0.053) 12.626 ======================= Grid point 457 (235/504) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -4.806 16.364 -8.558) 19.082 2.983 ( -0.178 18.330 8.434) 20.178 3.343 ( 2.556 -4.044 -2.125) 5.234 3.879 ( 5.695 -9.509 -5.524) 12.384 4.408 ( -9.320 9.728 0.607) 13.486 4.519 ( -2.454 6.671 2.416) 7.507 5.022 ( -11.899 4.026 -1.414) 12.641 5.207 ( 0.686 -0.397 0.592) 0.989 5.277 ( -0.101 -3.466 3.122) 4.666 6.115 ( 1.494 -24.455 -7.942) 25.756 8.189 ( 10.941 5.996 1.332) 12.547 8.504 ( 7.749 -3.059 5.377) 9.916 27.877 ( 1.965 55.273 -0.439) 55.310 28.511 ( -7.794 17.007 0.247) 18.710 29.470 ( -9.381 -12.852 -0.502) 15.919 31.374 ( 2.611 -58.445 -0.701) 58.508 95.649 ( 5.171 16.438 -1.365) 17.287 96.483 ( 1.623 -12.416 0.463) 12.530 ======================= Grid point 458 (236/504) ======================= q-point: (-0.21 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -1.615 20.839 -9.029) 22.769 3.021 ( -1.872 18.830 6.228) 19.922 3.366 ( 2.147 -5.007 -3.845) 6.668 3.895 ( 2.220 -9.196 -11.251) 14.699 4.255 ( -9.188 14.627 6.006) 18.288 4.474 ( -4.294 9.440 0.861) 10.406 4.776 ( -12.889 1.235 0.899) 12.979 5.191 ( -5.514 -3.624 -0.770) 6.643 5.269 ( -0.823 -1.384 3.512) 3.864 6.095 ( 4.598 -20.768 -13.881) 25.399 8.415 ( 12.062 6.231 1.462) 13.655 8.724 ( 10.541 -3.378 10.506) 15.261 27.910 ( 2.311 54.513 -1.121) 54.574 28.372 ( -7.686 15.703 0.346) 17.486 29.290 ( -9.969 -12.782 -0.385) 16.215 31.411 ( 2.177 -59.232 -1.408) 59.289 95.735 ( 5.759 14.747 -2.939) 16.102 96.522 ( 1.993 -12.627 1.181) 12.838 ======================= Grid point 459 (237/504) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 2.352 23.362 -9.034) 25.158 2.977 ( -6.218 19.276 1.108) 20.285 3.365 ( 0.786 -4.621 -4.231) 6.314 3.802 ( -1.773 -7.779 -15.318) 17.271 4.184 ( -4.916 17.355 10.421) 20.831 4.367 ( -6.793 9.308 -0.286) 11.527 4.616 ( -5.990 2.564 1.242) 6.633 5.020 ( -11.309 -9.984 -0.012) 15.086 5.302 ( 1.234 1.882 3.250) 3.953 6.076 ( 5.053 -16.844 -17.427) 24.758 8.617 ( 8.720 8.288 2.076) 12.208 9.011 ( 11.153 -5.236 13.388) 18.194 27.942 ( 2.273 53.970 -1.979) 54.054 28.248 ( -6.130 14.583 0.398) 15.824 29.118 ( -8.566 -12.841 -0.108) 15.436 31.432 ( 1.514 -60.032 -2.128) 60.089 95.806 ( 4.935 13.216 -4.992) 14.965 96.570 ( 2.023 -13.429 1.977) 13.724 ======================= Grid point 460 (238/504) ======================= q-point: (-0.07 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 6.118 23.761 -9.695) 26.381 2.830 ( -8.997 19.524 -0.911) 21.517 3.336 ( -0.859 0.278 -3.378) 3.497 3.650 ( -1.484 -9.663 -18.350) 20.792 4.186 ( -1.695 9.185 2.894) 9.778 4.297 ( -3.331 12.826 11.097) 17.284 4.539 ( -2.562 8.706 -2.974) 9.550 4.829 ( -8.695 -11.334 -0.664) 14.301 5.350 ( 1.103 1.045 4.185) 4.452 6.028 ( 3.273 -14.136 -18.375) 23.413 8.755 ( 4.126 10.622 4.117) 12.117 9.274 ( 7.030 -7.345 12.983) 16.490 27.960 ( 1.377 53.869 -2.847) 53.962 28.163 ( -3.375 13.861 0.424) 14.272 28.994 ( -4.944 -13.119 0.281) 14.022 31.435 ( 0.753 -60.653 -2.736) 60.719 95.836 ( 2.727 12.656 -6.661) 14.559 96.617 ( 1.390 -14.756 2.353) 15.007 ======================= Grid point 461 (239/504) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 1.210 18.613 -16.821) 25.117 3.056 ( -0.117 14.746 1.964) 14.877 3.235 ( 0.531 -15.104 -19.056) 24.322 3.279 ( 0.012 -7.270 -0.223) 7.274 4.284 ( 0.238 8.935 -1.916) 9.142 4.487 ( -2.232 -10.113 -1.598) 10.479 4.595 ( 1.236 7.393 1.952) 7.746 4.666 ( -0.211 2.206 2.766) 3.544 5.460 ( 0.077 8.117 -1.263) 8.215 5.684 ( 0.208 -13.512 -9.686) 16.626 9.045 ( -0.470 11.001 8.029) 13.627 9.247 ( -0.241 -9.768 9.824) 13.856 28.406 ( -0.020 14.375 0.498) 14.384 28.684 ( -0.095 -14.017 0.475) 14.025 29.052 ( 0.215 58.922 -3.232) 59.011 30.227 ( 0.011 -61.737 -3.246) 61.822 96.074 ( 0.103 13.729 -3.848) 14.258 96.349 ( 0.072 -14.745 -0.838) 14.769 ======================= Grid point 462 (240/504) ======================= q-point: ( 0.07 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -2.916 16.678 -12.383) 20.976 3.058 ( -3.529 -12.791 -14.584) 19.717 3.156 ( 7.304 13.107 0.335) 15.008 3.358 ( 6.756 -6.854 -2.980) 10.075 4.339 ( 6.817 7.152 -1.835) 10.050 4.474 ( 1.424 -2.443 -2.781) 3.966 4.601 ( 2.125 4.517 -6.811) 8.445 4.698 ( 2.842 -2.571 0.351) 3.848 5.440 ( -2.354 5.639 1.254) 6.238 5.605 ( -3.274 -10.296 -4.736) 11.796 9.045 ( -5.763 11.170 8.458) 15.150 9.250 ( -6.436 -9.921 8.947) 14.829 28.443 ( 3.721 14.662 0.511) 15.135 28.712 ( 2.713 -10.102 0.439) 10.469 29.043 ( 1.342 54.755 -3.214) 54.866 30.202 ( -0.255 -61.536 -3.338) 61.627 96.036 ( -1.273 14.980 -3.631) 15.466 96.332 ( -1.119 -15.709 -0.961) 15.778 ======================= Grid point 463 (241/504) ======================= q-point: ( 0.14 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -0.753 14.287 -8.513) 16.649 2.912 ( -1.955 -11.709 -12.293) 17.089 3.297 ( 7.346 10.930 0.398) 13.175 3.459 ( 6.037 -5.455 -2.163) 8.419 4.429 ( 2.486 6.865 -8.430) 11.152 4.490 ( 4.872 4.388 -5.007) 8.250 4.627 ( 7.252 2.684 -4.051) 8.729 4.796 ( 9.885 -10.390 -3.808) 14.838 5.390 ( -4.771 3.926 2.799) 6.784 5.503 ( -6.341 -6.938 0.347) 9.406 8.961 ( -9.727 10.240 8.218) 16.340 9.148 ( -10.956 -8.975 7.817) 16.177 28.542 ( 6.626 15.473 0.497) 16.840 28.778 ( 4.004 3.434 0.188) 5.278 29.063 ( 3.364 40.525 -2.715) 40.755 30.173 ( -0.426 -61.021 -3.116) 61.102 95.982 ( -1.983 16.256 -2.998) 16.648 96.298 ( -1.859 -16.422 -0.894) 16.551 ======================= Grid point 464 (242/504) ======================= q-point: ( 0.21 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 2.101 10.878 -4.675) 12.025 2.822 ( 0.233 -9.203 -9.246) 13.047 3.407 ( 4.413 8.117 -0.291) 9.244 3.531 ( 3.021 -4.617 -1.411) 5.695 4.388 ( 2.322 8.024 -10.990) 13.804 4.484 ( 1.062 -0.286 -8.873) 8.941 4.829 ( 14.859 3.929 -1.806) 15.475 4.990 ( 13.330 -10.732 -2.613) 17.312 5.309 ( -6.524 2.491 3.601) 7.857 5.384 ( -8.065 -4.621 3.010) 9.770 8.818 ( -11.838 8.853 7.093) 16.396 8.977 ( -13.119 -7.505 6.347) 16.393 28.679 ( 7.773 18.112 0.532) 19.717 28.848 ( 3.750 25.856 -0.375) 26.129 29.132 ( 6.025 15.686 -1.756) 16.895 30.144 ( -0.524 -60.348 -2.636) 60.408 95.927 ( -2.008 17.241 -2.205) 17.497 96.257 ( -2.042 -16.790 -0.703) 16.928 ======================= Grid point 465 (243/504) ======================= q-point: ( 0.29 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 4.714 6.690 -0.781) 8.221 2.793 ( 2.250 -5.902 -5.620) 8.455 3.446 ( 1.255 5.573 -2.725) 6.330 3.541 ( -0.608 -4.144 -2.106) 4.688 4.383 ( 4.227 5.407 -7.187) 9.937 4.447 ( 2.015 -0.421 -8.311) 8.562 5.077 ( 11.820 3.899 -1.707) 12.563 5.173 ( 0.334 -1.499 2.224) 2.702 5.228 ( -3.414 -2.323 3.846) 5.643 5.294 ( 3.187 -8.153 -0.193) 8.756 8.643 ( -12.066 7.622 5.117) 15.161 8.776 ( -13.056 -6.072 4.453) 15.072 28.807 ( 5.118 31.682 0.722) 32.101 28.921 ( 5.569 31.921 -0.909) 32.416 29.245 ( 7.112 -3.517 -0.876) 7.982 30.119 ( -0.524 -59.800 -1.997) 59.836 95.882 ( -1.555 17.816 -1.466) 17.944 96.218 ( -1.779 -16.815 -0.487) 16.916 ======================= Grid point 466 (244/504) ======================= q-point: ( 0.36 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 6.228 2.471 2.648) 7.205 2.825 ( 4.045 -2.195 -1.170) 4.748 3.426 ( 0.078 3.127 -5.397) 6.238 3.488 ( -2.439 -3.333 -3.951) 5.715 4.433 ( 4.457 2.618 -2.440) 5.716 4.451 ( 3.114 1.119 -3.851) 5.077 5.070 ( -6.331 0.544 1.922) 6.639 5.090 ( -7.063 -1.270 1.779) 7.394 5.346 ( 10.408 2.515 0.609) 10.725 5.477 ( 11.380 -10.457 -0.573) 15.466 8.463 ( -10.707 6.837 2.646) 12.977 8.578 ( -11.285 -5.028 2.278) 12.563 28.870 ( 1.952 50.473 0.721) 50.516 29.033 ( 6.677 22.924 -0.972) 23.896 29.362 ( 6.026 -12.554 -0.299) 13.928 30.099 ( -0.287 -59.681 -1.307) 59.696 95.852 ( -0.860 18.010 -0.889) 18.053 96.187 ( -1.238 -16.570 -0.316) 16.619 ======================= Grid point 467 (245/504) ======================= q-point: ( 0.43 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 4.353 3.242 2.590) 6.014 2.944 ( 6.169 -2.441 5.741) 8.773 3.383 ( -0.288 1.474 -6.488) 6.659 3.420 ( -0.586 -2.368 -5.471) 5.990 4.487 ( 3.045 2.717 -0.343) 4.096 4.509 ( 3.608 0.610 1.078) 3.815 4.980 ( -4.163 -0.665 0.896) 4.310 4.994 ( -4.272 -2.142 1.181) 4.922 5.506 ( 6.497 3.682 0.524) 7.486 5.650 ( 7.598 -10.960 0.479) 13.345 8.301 ( -8.160 6.529 0.275) 10.454 8.409 ( -8.301 -4.551 0.260) 9.470 28.902 ( 1.146 56.885 0.818) 56.903 29.124 ( 3.868 20.808 -1.031) 21.190 29.449 ( 3.528 -15.950 0.004) 16.335 30.093 ( 0.396 -59.969 -0.652) 59.974 95.839 ( -0.065 17.904 -0.497) 17.911 96.169 ( -0.555 -16.148 -0.212) 16.159 ======================= Grid point 468 (246/504) ======================= q-point: (-0.50 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 3.223 5.826 5.027) 8.343 3.063 ( 2.020 -2.185 4.275) 5.209 3.336 ( -0.073 2.922 -4.698) 5.533 3.415 ( 4.067 -4.777 -4.593) 7.775 4.542 ( 2.648 3.354 0.972) 4.383 4.581 ( 3.280 -0.560 1.593) 3.689 4.945 ( -0.189 -0.646 0.868) 1.098 4.964 ( 0.194 -2.554 1.312) 2.877 5.578 ( 0.881 4.935 0.688) 5.060 5.750 ( 2.813 -12.657 0.873) 12.995 8.180 ( -4.613 6.594 -1.276) 8.148 8.290 ( -4.439 -4.657 -1.001) 6.511 28.924 ( 0.691 58.381 0.862) 58.391 29.149 ( -0.399 19.704 -0.949) 19.731 29.484 ( 0.315 -15.987 -0.034) 15.990 30.106 ( 1.437 -60.090 -0.138) 60.108 95.843 ( 0.793 17.553 -0.277) 17.573 96.165 ( 0.192 -15.622 -0.168) 15.624 ======================= Grid point 469 (247/504) ======================= q-point: (-0.43 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -1.938 4.881 3.886) 6.533 3.090 ( 2.062 2.070 -1.088) 3.118 3.323 ( 1.007 6.429 -1.250) 6.626 3.494 ( 5.784 -8.970 -0.494) 10.684 4.590 ( 1.865 3.651 0.450) 4.124 4.636 ( 1.481 -1.056 0.298) 1.843 4.996 ( 4.827 0.267 2.031) 5.244 5.018 ( 4.544 -1.975 1.684) 5.232 5.544 ( -5.087 6.662 0.424) 8.392 5.763 ( -1.787 -15.674 0.267) 15.778 8.126 ( -0.084 6.787 -1.377) 6.926 8.242 ( 0.072 -5.084 -0.915) 5.166 28.937 ( 0.142 56.700 0.716) 56.705 29.098 ( -4.516 18.248 -0.649) 18.809 29.459 ( -2.884 -13.373 -0.286) 13.683 30.140 ( 2.234 -59.763 0.057) 59.805 95.864 ( 1.722 16.960 -0.229) 17.048 96.174 ( 0.954 -15.021 -0.167) 15.052 ======================= Grid point 470 (248/504) ======================= q-point: (-0.36 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -2.479 8.547 -2.532) 9.252 3.121 ( 1.291 -1.840 -0.367) 2.278 3.355 ( 2.276 11.212 1.303) 11.514 3.593 ( 5.022 -11.318 0.271) 12.386 4.608 ( -0.255 3.071 -0.083) 3.082 4.627 ( -2.627 1.021 0.853) 2.945 5.124 ( 6.871 0.988 1.601) 7.124 5.139 ( 6.504 -0.637 1.489) 6.702 5.405 ( -9.943 9.253 -0.615) 13.597 5.700 ( -3.783 -20.129 -2.114) 20.590 8.166 ( 5.120 6.786 0.164) 8.502 8.285 ( 4.798 -5.341 0.805) 7.224 28.936 ( -0.840 50.118 0.282) 50.125 28.985 ( -7.338 17.568 -0.156) 19.040 29.382 ( -5.143 -6.900 -0.549) 8.623 30.183 ( 2.370 -59.567 -0.166) 59.614 95.901 ( 2.674 16.091 -0.397) 16.317 96.196 ( 1.670 -14.357 -0.194) 14.455 ======================= Grid point 471 (249/504) ======================= q-point: (-0.29 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -1.115 12.857 -5.081) 13.869 3.135 ( 1.243 -6.101 -1.607) 6.431 3.408 ( 2.297 13.572 0.833) 13.790 3.670 ( 3.912 -12.202 -2.105) 12.985 4.555 ( -5.335 5.165 2.397) 7.803 4.598 ( -2.223 0.949 2.629) 3.571 5.136 ( -12.207 4.895 0.691) 13.170 5.206 ( -3.967 -3.480 2.410) 5.802 5.285 ( 5.550 11.736 -4.056) 13.602 5.645 ( 2.795 -22.932 -7.156) 24.184 8.312 ( 9.782 6.361 2.651) 11.966 8.425 ( 8.771 -5.060 3.839) 10.830 28.832 ( -8.774 16.260 -0.160) 18.477 28.916 ( -2.270 37.004 0.297) 37.075 29.277 ( -5.561 6.932 -0.875) 8.930 30.220 ( 2.006 -59.866 -0.724) 59.904 95.953 ( 3.457 14.967 -0.855) 15.385 96.230 ( 2.227 -13.689 -0.235) 13.871 ======================= Grid point 472 (250/504) ======================= q-point: (-0.21 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 0.845 16.229 -6.629) 17.551 3.148 ( 2.068 -8.967 -3.129) 9.720 3.426 ( -0.249 14.035 -2.643) 14.284 3.689 ( 1.087 -12.166 -6.636) 13.901 4.485 ( -5.380 8.844 7.049) 12.523 4.583 ( -2.297 -0.303 5.332) 5.814 4.864 ( -15.673 8.650 -0.767) 17.919 5.049 ( -12.824 -9.169 0.647) 15.778 5.375 ( 6.251 11.342 -5.059) 13.904 5.689 ( 7.633 -19.946 -11.220) 24.124 8.537 ( 11.626 6.115 4.627) 13.927 8.645 ( 10.948 -4.881 7.360) 14.066 28.673 ( -8.634 15.264 0.134) 17.537 28.860 ( -4.091 15.438 0.166) 15.971 29.182 ( -3.928 29.106 -1.460) 29.407 30.243 ( 1.446 -60.485 -1.460) 60.520 96.010 ( 3.721 13.785 -1.647) 14.373 96.271 ( 2.455 -13.206 -0.288) 13.435 ======================= Grid point 473 (251/504) ======================= q-point: (-0.14 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 3.242 18.186 -7.755) 20.035 3.166 ( 2.895 -9.795 -4.556) 11.183 3.351 ( -4.388 13.410 -6.678) 15.610 3.610 ( -3.053 -11.873 -10.721) 16.286 4.468 ( -3.599 11.443 9.201) 15.118 4.559 ( -7.754 7.842 2.049) 11.217 4.634 ( -5.493 0.248 4.525) 7.121 4.806 ( -12.983 -11.634 -0.602) 17.443 5.433 ( 4.310 11.840 -5.616) 13.795 5.732 ( 6.180 -17.786 -13.081) 22.927 8.770 ( 9.591 7.389 5.963) 13.496 8.901 ( 10.262 -6.188 9.731) 15.437 28.532 ( -6.856 14.727 0.318) 16.248 28.779 ( -4.677 -3.390 0.284) 5.783 29.117 ( -1.904 48.194 -2.226) 48.283 30.251 ( 0.879 -61.128 -2.216) 61.175 96.059 ( 3.145 12.971 -2.643) 13.607 96.312 ( 2.181 -13.192 -0.390) 13.377 ======================= Grid point 474 (252/504) ======================= q-point: (-0.07 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 5.930 18.756 -9.662) 21.916 3.161 ( -4.024 9.241 -4.872) 11.195 3.225 ( 1.156 -5.471 -7.874) 9.657 3.446 ( -5.751 -11.802 -12.247) 17.954 4.359 ( -6.824 10.760 -1.927) 12.886 4.536 ( -0.382 7.324 8.570) 11.280 4.595 ( -8.049 -8.761 0.211) 11.899 4.651 ( -0.989 -0.839 4.304) 4.495 5.457 ( 2.279 10.602 -4.105) 11.595 5.729 ( 3.436 -15.936 -12.627) 20.620 8.950 ( 5.092 9.528 7.155) 12.958 9.123 ( 6.035 -8.322 10.281) 14.539 28.438 ( -3.797 14.419 0.436) 14.917 28.710 ( -3.024 -12.150 0.413) 12.527 29.077 ( -0.660 57.081 -2.873) 57.157 30.245 ( 0.390 -61.586 -2.849) 61.653 96.082 ( 1.776 12.942 -3.491) 13.522 96.341 ( 1.324 -13.780 -0.595) 13.857 ======================= Grid point 559 (253/504) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.484 0.000 12.371) 12.459 1.655 ( 0.251 0.000 24.594) 24.595 2.214 ( 3.816 0.000 -2.174) 4.392 2.591 ( 0.018 0.000 37.486) 37.486 3.369 ( -0.129 0.000 -11.864) 11.865 4.432 ( -0.634 0.000 -2.785) 2.857 4.694 ( 0.352 0.000 -9.068) 9.075 4.901 ( -0.071 0.000 1.917) 1.919 5.335 ( -0.822 0.000 0.797) 1.145 6.908 ( -0.485 0.000 -12.619) 12.629 8.420 ( -0.604 0.000 10.231) 10.248 9.088 ( -0.252 0.000 -6.315) 6.320 24.722 ( 0.020 0.000 1.522) 1.522 27.385 ( -0.063 0.000 0.192) 0.202 29.685 ( -0.182 0.000 0.534) 0.564 35.023 ( 0.105 0.000 -3.409) 3.411 94.127 ( -0.077 0.000 0.053) 0.094 98.264 ( -0.029 0.000 -0.858) 0.859 ======================= Grid point 560 (254/504) ======================= q-point: ( 0.07 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 26.869 0.000 7.108) 27.793 1.890 ( 7.374 0.000 21.746) 22.962 2.407 ( 18.454 0.000 -1.572) 18.521 2.927 ( 8.635 0.000 33.091) 34.199 3.285 ( 0.243 0.000 -12.124) 12.127 4.227 ( -13.680 0.000 -7.080) 15.404 4.793 ( 11.972 0.000 -4.410) 12.758 4.897 ( -1.745 0.000 1.747) 2.470 5.361 ( 3.112 0.000 1.515) 3.461 6.811 ( -0.568 0.000 -14.015) 14.027 8.469 ( -1.835 0.000 10.077) 10.243 9.006 ( -3.856 0.000 -5.988) 7.122 24.729 ( -0.414 0.000 1.349) 1.411 27.392 ( 0.704 0.000 0.192) 0.730 29.731 ( 4.533 0.000 -0.198) 4.538 34.973 ( -3.009 0.000 -2.870) 4.158 94.125 ( -0.201 0.000 0.074) 0.214 98.170 ( -9.183 0.000 0.924) 9.230 ======================= Grid point 561 (255/504) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 31.001 0.000 2.987) 31.145 2.198 ( 11.159 0.000 17.491) 20.748 2.754 ( 15.395 0.000 6.088) 16.555 3.214 ( 1.152 0.000 -11.394) 11.452 3.362 ( 19.195 0.000 18.965) 26.983 3.929 ( -12.201 0.000 -7.890) 14.530 4.863 ( -3.142 0.000 1.308) 3.404 4.991 ( 12.066 0.000 -3.662) 12.609 5.480 ( 7.340 0.000 6.853) 10.042 6.685 ( -1.757 0.000 -16.211) 16.306 8.490 ( -3.438 0.000 9.324) 9.937 8.875 ( -5.965 0.000 -5.306) 7.984 24.726 ( -0.826 0.000 1.036) 1.325 27.412 ( 1.288 0.000 0.184) 1.301 29.831 ( 6.666 0.000 -0.839) 6.719 34.882 ( -5.044 0.000 -2.106) 5.466 94.121 ( -0.225 0.000 0.090) 0.242 97.980 ( -12.634 0.000 2.603) 12.900 ======================= Grid point 562 (256/504) ======================= q-point: ( 0.21 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 27.374 0.000 1.519) 27.416 2.518 ( 12.267 0.000 12.847) 17.764 3.007 ( 6.957 0.000 9.706) 11.942 3.171 ( 2.177 0.000 -9.550) 9.795 3.566 ( -8.497 0.000 -7.424) 11.284 3.977 ( 23.198 0.000 7.807) 24.476 4.810 ( -3.097 0.000 1.317) 3.366 5.151 ( 8.685 0.000 -4.761) 9.905 5.729 ( 12.119 0.000 13.728) 18.312 6.538 ( -0.765 0.000 -18.000) 18.016 8.465 ( -6.330 0.000 7.547) 9.850 8.729 ( -6.200 0.000 -4.225) 7.503 24.714 ( -1.136 0.000 0.649) 1.308 27.439 ( 1.589 0.000 0.172) 1.599 29.951 ( 7.175 0.000 -0.718) 7.211 34.769 ( -5.927 0.000 -1.411) 6.092 94.118 ( -0.154 0.000 0.108) 0.188 97.765 ( -12.951 0.000 2.572) 13.204 ======================= Grid point 563 (257/504) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 10.721 0.000 8.433) 13.640 2.886 ( 20.213 0.000 1.460) 20.265 3.152 ( 2.939 0.000 2.450) 3.827 3.167 ( 2.973 0.000 -1.426) 3.297 3.341 ( -7.387 0.000 -7.811) 10.751 4.386 ( 11.958 0.000 2.618) 12.241 4.830 ( 6.820 0.000 2.811) 7.377 5.246 ( 4.972 0.000 -2.395) 5.519 6.079 ( 13.608 0.000 16.863) 21.669 6.435 ( 4.721 0.000 -18.993) 19.571 8.353 ( -10.470 0.000 3.645) 11.087 8.608 ( -4.950 0.000 -1.723) 5.242 24.695 ( -1.279 0.000 0.278) 1.309 27.469 ( 1.560 0.000 0.157) 1.568 30.074 ( 6.625 0.000 -0.194) 6.628 34.655 ( -5.616 0.000 -0.856) 5.681 94.118 ( -0.041 0.000 0.140) 0.146 97.557 ( -11.586 0.000 1.600) 11.695 ======================= Grid point 564 (258/504) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 6.366 0.000 3.102) 7.082 3.026 ( -9.478 0.000 1.853) 9.658 3.191 ( 4.354 0.000 -2.379) 4.961 3.263 ( 12.434 0.000 -0.186) 12.435 3.335 ( 7.132 0.000 -0.767) 7.173 4.436 ( -2.794 0.000 -0.198) 2.801 5.056 ( 11.669 0.000 1.009) 11.712 5.313 ( 3.190 0.000 1.788) 3.657 6.314 ( 1.731 0.000 5.028) 5.318 6.575 ( 21.926 0.000 -5.019) 22.493 8.153 ( -12.657 0.000 0.296) 12.661 8.516 ( -4.674 0.000 -0.248) 4.681 24.673 ( -1.221 0.000 0.009) 1.221 27.496 ( 1.212 0.000 0.145) 1.221 30.182 ( 5.280 0.000 0.301) 5.288 34.561 ( -4.170 0.000 -0.466) 4.196 94.119 ( 0.057 0.000 0.180) 0.189 97.376 ( -9.166 0.000 0.600) 9.185 ======================= Grid point 565 (259/504) ======================= q-point: ( 0.43 0.00 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -14.568 0.000 3.932) 15.090 3.075 ( 0.571 0.000 -0.641) 0.858 3.269 ( 4.613 0.000 0.513) 4.641 3.467 ( 9.832 0.000 -0.415) 9.840 3.483 ( 9.785 0.000 -2.251) 10.041 4.376 ( -2.695 0.000 -0.345) 2.717 5.174 ( 1.654 0.000 -2.409) 2.922 5.392 ( 2.735 0.000 4.863) 5.580 6.348 ( -0.440 0.000 3.045) 3.076 6.978 ( 22.379 0.000 -0.044) 22.379 7.923 ( -11.502 0.000 -1.796) 11.642 8.434 ( -4.218 0.000 0.030) 4.218 24.653 ( -0.970 0.000 -0.104) 0.976 27.514 ( 0.619 0.000 0.141) 0.635 30.264 ( 3.404 0.000 0.512) 3.442 34.503 ( -1.848 0.000 -0.266) 1.868 94.122 ( 0.106 0.000 0.203) 0.229 97.239 ( -6.188 0.000 0.102) 6.189 ======================= Grid point 566 (260/504) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -17.520 0.000 7.380) 19.011 3.012 ( -7.431 0.000 0.244) 7.435 3.353 ( 4.574 0.000 -0.179) 4.577 3.604 ( 5.763 0.000 -0.649) 5.800 3.661 ( 13.048 0.000 -5.621) 14.207 4.347 ( -0.406 0.000 -0.360) 0.542 5.089 ( -8.979 0.000 -2.241) 9.255 5.472 ( 2.216 0.000 5.252) 5.700 6.317 ( -7.187 0.000 5.499) 9.050 7.308 ( 11.115 0.000 -0.475) 11.125 7.776 ( 0.874 0.000 -3.952) 4.048 8.373 ( -2.519 0.000 0.664) 2.605 24.638 ( -0.576 0.000 -0.048) 0.578 27.519 ( -0.102 0.000 0.151) 0.182 30.310 ( 1.294 0.000 0.354) 1.341 34.493 ( 0.899 0.000 -0.279) 0.941 94.125 ( 0.097 0.000 0.188) 0.212 97.157 ( -3.082 0.000 0.331) 3.100 ======================= Grid point 567 (261/504) ======================= q-point: (-0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -19.974 0.000 11.374) 22.986 2.818 ( -14.540 0.000 1.996) 14.676 3.430 ( 4.345 0.000 -0.964) 4.450 3.671 ( 2.810 0.000 -3.028) 4.131 3.862 ( 14.102 0.000 -7.886) 16.157 4.327 ( -3.413 0.000 -0.070) 3.414 4.853 ( -14.388 0.000 -0.029) 14.388 5.534 ( 0.727 0.000 4.150) 4.213 6.145 ( -16.474 0.000 5.977) 17.525 7.339 ( -3.242 0.000 0.336) 3.260 7.933 ( 16.130 0.000 -7.180) 17.656 8.365 ( 0.823 0.000 2.730) 2.851 24.632 ( -0.122 0.000 0.152) 0.195 27.512 ( -0.810 0.000 0.172) 0.828 30.315 ( -0.793 0.000 -0.198) 0.817 34.531 ( 3.533 0.000 -0.488) 3.567 94.127 ( 0.047 0.000 0.129) 0.137 97.134 ( -0.083 0.000 1.428) 1.430 ======================= Grid point 568 (262/504) ======================= q-point: (-0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -20.746 0.000 16.503) 26.509 2.533 ( -19.189 0.000 4.574) 19.727 3.492 ( 3.477 0.000 -2.119) 4.072 3.629 ( -5.700 0.000 -7.223) 9.202 4.042 ( 10.267 0.000 -7.521) 12.727 4.149 ( -15.031 0.000 1.528) 15.108 4.683 ( -3.260 0.000 0.842) 3.367 5.550 ( -1.534 0.000 2.394) 2.843 5.815 ( -23.852 0.000 5.329) 24.440 7.297 ( -1.276 0.000 1.079) 1.671 8.126 ( 9.896 0.000 -8.400) 12.980 8.466 ( 8.036 0.000 3.957) 8.958 24.636 ( 0.296 0.000 0.451) 0.539 27.493 ( -1.370 0.000 0.197) 1.384 30.279 ( -2.737 0.000 -1.198) 2.988 34.610 ( 5.575 0.000 -0.814) 5.634 94.128 ( -0.017 0.000 0.041) 0.044 97.176 ( 2.903 0.000 3.589) 4.616 ======================= Grid point 569 (263/504) ======================= q-point: (-0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -18.464 0.000 23.085) 29.561 2.207 ( -21.546 0.000 8.359) 23.111 3.265 ( -27.938 0.000 -6.749) 28.742 3.532 ( 2.508 0.000 -3.805) 4.557 3.876 ( -16.067 0.000 8.602) 18.225 4.180 ( 10.868 0.000 -15.468) 18.904 4.695 ( 2.519 0.000 0.691) 2.612 5.400 ( -24.763 0.000 6.231) 25.535 5.520 ( -2.728 0.000 0.431) 2.761 7.299 ( 0.760 0.000 -0.895) 1.174 8.195 ( 3.805 0.000 -4.204) 5.671 8.671 ( 11.454 0.000 1.184) 11.515 24.648 ( 0.592 0.000 0.791) 0.988 27.467 ( -1.678 0.000 0.215) 1.691 30.199 ( -4.667 0.000 -2.669) 5.376 34.715 ( 6.743 0.000 -1.140) 6.839 94.128 ( -0.059 0.000 -0.034) 0.069 97.294 ( 6.445 0.000 6.869) 9.419 ======================= Grid point 570 (264/504) ======================= q-point: (-0.21 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -13.066 0.000 29.078) 31.879 1.892 ( -21.250 0.000 13.519) 25.186 2.627 ( -37.696 0.000 -0.159) 37.697 3.530 ( -1.806 0.000 -4.462) 4.813 3.585 ( -20.334 0.000 3.081) 20.567 4.235 ( 7.802 0.000 -15.873) 17.686 4.757 ( 3.242 0.000 1.181) 3.450 5.070 ( -15.912 0.000 7.519) 17.599 5.470 ( -2.728 0.000 -0.261) 2.741 7.285 ( -0.237 0.000 -6.642) 6.646 8.231 ( 1.742 0.000 1.223) 2.129 8.870 ( 10.253 0.000 -1.140) 10.317 24.667 ( 0.711 0.000 1.119) 1.326 27.438 ( -1.684 0.000 0.211) 1.697 30.072 ( -6.856 0.000 -4.103) 7.990 34.831 ( 6.976 0.000 -1.474) 7.130 94.126 ( -0.046 0.000 -0.048) 0.066 97.512 ( 11.354 0.000 10.106) 15.200 ======================= Grid point 571 (265/504) ======================= q-point: (-0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -21.009 0.000 19.051) 28.360 1.663 ( -17.501 0.000 19.659) 26.321 2.052 ( -22.739 0.000 18.713) 29.449 3.094 ( -30.818 0.000 3.122) 30.976 3.509 ( 0.700 0.000 -8.555) 8.584 4.268 ( 7.445 0.000 -12.200) 14.292 4.821 ( 2.619 0.000 1.875) 3.221 4.921 ( -7.168 0.000 5.476) 9.021 5.420 ( -2.610 0.000 -0.556) 2.668 7.186 ( -3.199 0.000 -12.426) 12.831 8.282 ( 1.059 0.000 6.438) 6.525 9.018 ( 7.711 0.000 -3.358) 8.411 24.688 ( 0.640 0.000 1.382) 1.523 27.411 ( -1.394 0.000 0.186) 1.406 29.902 ( -8.487 0.000 -3.743) 9.276 34.939 ( 6.125 0.000 -2.132) 6.486 94.126 ( 0.025 0.000 0.001) 0.025 97.834 ( 15.907 0.000 9.269) 18.410 ======================= Grid point 572 (266/504) ======================= q-point: (-0.07 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -29.922 0.000 10.238) 31.625 1.564 ( -9.268 0.000 23.999) 25.727 2.115 ( 0.681 0.000 26.591) 26.600 2.615 ( -23.156 0.000 10.040) 25.239 3.448 ( 0.074 0.000 -10.594) 10.595 4.350 ( 8.798 0.000 -6.889) 11.174 4.824 ( -5.978 0.000 -1.945) 6.287 4.874 ( 1.488 0.000 1.721) 2.275 5.368 ( -2.910 0.000 0.382) 2.935 7.028 ( -3.196 0.000 -13.287) 13.666 8.353 ( 0.425 0.000 9.374) 9.384 9.095 ( 4.083 0.000 -5.452) 6.811 24.708 ( 0.394 0.000 1.529) 1.579 27.392 ( -0.831 0.000 0.179) 0.850 29.744 ( -6.218 0.000 -0.931) 6.288 35.011 ( 3.668 0.000 -3.110) 4.809 94.127 ( 0.041 0.000 0.038) 0.056 98.148 ( 12.215 0.000 2.658) 12.501 ======================= Grid point 573 (267/504) ======================= q-point: ( 0.00 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.018 16.834 10.847) 20.052 1.635 ( 1.470 -0.872 26.873) 26.927 2.288 ( 2.402 7.230 -3.329) 8.314 2.791 ( 0.114 19.120 32.985) 38.126 3.408 ( -0.197 3.495 -12.483) 12.965 4.416 ( -0.580 -1.560 -2.629) 3.111 4.578 ( 0.403 -8.689 -2.219) 8.977 5.056 ( -0.285 12.011 -4.291) 12.758 5.308 ( -0.755 -2.694 0.700) 2.884 6.607 ( -0.213 -25.976 -13.706) 29.371 8.378 ( -0.713 -0.847 13.714) 13.759 9.338 ( -0.183 18.499 -8.459) 20.342 24.900 ( 0.016 17.710 -0.122) 17.710 27.419 ( -0.076 3.542 0.215) 3.549 29.653 ( -0.144 -3.294 0.529) 3.339 34.841 ( 0.097 -18.502 -3.150) 18.768 94.280 ( -0.054 14.583 -3.310) 14.954 98.136 ( -0.040 -12.421 0.948) 12.457 ======================= Grid point 574 (268/504) ======================= q-point: ( 0.07 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 22.331 11.219 7.670) 26.141 1.900 ( 7.964 1.147 23.250) 24.602 2.465 ( 18.313 5.781 -2.564) 19.374 3.072 ( 6.443 14.207 28.247) 32.269 3.317 ( -0.015 2.981 -11.819) 12.189 4.213 ( -13.251 -1.563 -5.857) 14.572 4.712 ( 9.932 -5.470 1.063) 11.389 5.027 ( 0.225 9.909 -3.401) 10.479 5.338 ( 3.377 -2.321 1.209) 4.272 6.527 ( 1.700 -25.023 -15.251) 29.354 8.449 ( -2.096 0.003 13.552) 13.713 9.223 ( -5.549 16.976 -8.316) 19.701 24.895 ( -0.677 16.676 0.315) 16.693 27.428 ( 0.840 3.675 0.216) 3.775 29.698 ( 4.487 -3.324 -0.103) 5.585 34.795 ( -2.799 -18.193 -2.745) 18.611 94.253 ( -0.727 12.507 -2.014) 12.689 98.062 ( -8.205 -10.630 1.761) 13.544 ======================= Grid point 575 (269/504) ======================= q-point: ( 0.14 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 26.342 4.435 5.661) 27.306 2.225 ( 12.096 2.688 17.366) 21.333 2.817 ( 17.899 6.107 2.769) 19.114 3.218 ( 1.043 0.615 -11.390) 11.455 3.447 ( 14.518 8.262 17.469) 24.170 3.933 ( -11.879 0.305 -6.601) 13.593 4.865 ( 3.241 -0.340 2.894) 4.358 5.044 ( 6.273 5.600 -4.473) 9.524 5.453 ( 6.888 -2.730 6.399) 9.790 6.443 ( 1.697 -21.697 -17.586) 27.980 8.484 ( -4.079 0.235 12.005) 12.681 9.042 ( -8.225 13.781 -7.067) 17.536 24.882 ( -1.072 15.785 0.488) 15.829 27.451 ( 1.549 4.062 0.208) 4.353 29.799 ( 6.762 -3.196 -0.701) 7.512 34.709 ( -4.739 -17.682 -2.073) 18.423 94.229 ( -0.803 10.625 -1.010) 10.703 97.895 ( -11.585 -8.545 2.773) 14.660 ======================= Grid point 576 (270/504) ======================= q-point: ( 0.21 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 19.809 -1.702 8.053) 21.451 2.569 ( 16.169 4.026 8.194) 18.568 3.089 ( 8.114 7.236 5.425) 12.150 3.167 ( 2.501 0.437 -8.719) 9.081 3.619 ( -7.403 5.084 -6.257) 10.946 3.947 ( 18.957 -2.532 7.619) 20.587 4.881 ( -0.872 6.460 1.892) 6.787 5.159 ( 7.839 0.915 -4.653) 9.162 5.688 ( 11.140 -4.435 13.954) 18.398 6.355 ( 3.281 -16.659 -19.421) 25.797 8.459 ( -7.055 -0.318 8.830) 11.307 8.845 ( -8.493 10.219 -4.940) 14.176 24.863 ( -1.294 15.213 0.392) 15.273 27.485 ( 1.926 4.637 0.198) 5.025 29.924 ( 7.392 -2.825 -0.640) 7.940 34.602 ( -5.584 -17.081 -1.407) 18.026 94.211 ( -0.605 9.268 -0.414) 9.297 97.698 ( -12.061 -6.813 2.531) 14.081 ======================= Grid point 577 (271/504) ======================= q-point: ( 0.29 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 11.553 -3.863 9.993) 15.756 2.894 ( 15.256 0.354 -0.761) 15.279 3.109 ( -0.836 -1.772 -4.078) 4.524 3.278 ( 6.447 9.377 3.131) 11.803 3.453 ( -3.984 9.504 -4.887) 11.406 4.291 ( 11.275 -7.993 2.515) 14.048 4.930 ( 6.011 8.346 2.534) 10.592 5.242 ( 4.334 -0.397 -2.336) 4.939 6.014 ( 11.335 -7.185 16.786) 21.491 6.323 ( 9.718 -9.829 -19.420) 23.837 8.343 ( -10.739 -0.940 3.882) 11.458 8.681 ( -7.178 6.695 -1.668) 9.956 24.841 ( -1.351 14.925 0.182) 14.987 27.521 ( 1.906 5.292 0.185) 5.628 30.051 ( 6.872 -2.369 -0.201) 7.272 34.495 ( -5.284 -16.459 -0.849) 17.307 94.201 ( -0.334 8.411 -0.086) 8.418 97.503 ( -10.884 -5.431 1.551) 12.262 ======================= Grid point 578 (272/504) ======================= q-point: ( 0.36 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -2.715 -5.978 4.968) 8.234 3.011 ( 4.211 -0.835 -1.481) 4.541 3.123 ( 6.153 -0.646 -1.369) 6.336 3.395 ( 5.643 6.570 -0.468) 8.674 3.462 ( 6.297 12.642 0.037) 14.124 4.378 ( -0.171 -5.426 -0.075) 5.429 5.100 ( 8.723 3.964 0.676) 9.605 5.299 ( 2.739 -1.464 1.690) 3.535 6.213 ( 3.551 -9.824 3.525) 11.025 6.538 ( 21.736 -3.873 -3.634) 22.375 8.140 ( -12.726 -1.188 0.081) 12.782 8.557 ( -6.245 3.739 0.151) 7.280 24.818 ( -1.219 14.849 -0.005) 14.899 27.553 ( 1.496 5.899 0.174) 6.089 30.163 ( 5.469 -1.994 0.228) 5.825 34.406 ( -3.900 -15.896 -0.447) 16.373 94.197 ( -0.080 7.948 0.090) 7.949 97.333 ( -8.658 -4.367 0.587) 9.715 ======================= Grid point 579 (273/504) ======================= q-point: ( 0.43 0.08 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -12.960 -2.527 3.740) 13.724 3.091 ( 1.479 1.313 -1.671) 2.589 3.228 ( 5.134 -2.021 1.720) 5.780 3.501 ( 8.275 2.259 -3.316) 9.196 3.596 ( 7.035 10.333 0.417) 12.507 4.356 ( -0.983 -1.862 -0.401) 2.144 5.183 ( 0.763 0.919 -2.330) 2.618 5.370 ( 2.384 -2.243 4.604) 5.649 6.274 ( 0.868 -7.308 2.833) 7.886 6.934 ( 21.900 -4.688 0.230) 22.398 7.907 ( -11.591 -1.285 -2.022) 11.836 8.455 ( -5.102 1.944 0.404) 5.475 24.798 ( -0.902 14.927 -0.087) 14.954 27.575 ( 0.778 6.332 0.172) 6.382 30.247 ( 3.461 -1.826 0.410) 3.934 34.353 ( -1.685 -15.480 -0.240) 15.573 94.199 ( 0.131 7.811 0.162) 7.814 97.204 ( -5.870 -3.623 0.107) 6.899 ======================= Grid point 580 (274/504) ======================= q-point: (-0.50 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -16.489 -0.482 7.124) 17.968 3.027 ( -7.646 1.285 -0.465) 7.767 3.321 ( 4.331 -2.073 0.762) 4.862 3.657 ( 12.190 -0.228 -6.113) 13.639 3.705 ( 5.132 8.687 -0.466) 10.100 4.353 ( 0.839 0.632 -0.653) 1.237 5.096 ( -8.535 0.764 -1.959) 8.790 5.442 ( 1.896 -3.059 4.890) 6.071 6.259 ( -6.331 -5.753 5.087) 9.953 7.270 ( 12.495 -4.327 0.215) 13.225 7.746 ( -1.120 -2.530 -4.222) 5.048 8.386 ( -2.786 1.209 0.946) 3.181 24.786 ( -0.439 15.122 -0.040) 15.128 27.583 ( -0.106 6.497 0.181) 6.501 30.291 ( 1.169 -1.948 0.264) 2.287 34.344 ( 0.931 -15.282 -0.255) 15.312 94.204 ( 0.323 7.993 0.139) 8.001 97.126 ( -2.937 -3.205 0.318) 4.359 ======================= Grid point 581 (275/504) ======================= q-point: (-0.43 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -19.066 1.006 10.831) 21.951 2.824 ( -14.784 0.569 1.864) 14.912 3.399 ( 4.212 -2.250 -0.390) 4.791 3.755 ( 2.686 7.114 -3.816) 8.508 3.854 ( 13.300 -0.510 -7.380) 15.219 4.347 ( -2.772 2.028 -0.647) 3.495 4.883 ( -12.363 3.051 0.290) 12.737 5.497 ( 0.501 -3.734 3.946) 5.456 6.099 ( -15.667 -4.602 5.564) 17.251 7.326 ( -3.230 -1.733 0.714) 3.734 7.867 ( 15.190 -6.199 -7.258) 17.940 8.380 ( 0.998 1.363 3.096) 3.527 24.783 ( 0.105 15.423 0.113) 15.424 27.574 ( -0.979 6.356 0.200) 6.434 30.292 ( -1.122 -2.392 -0.227) 2.652 34.381 ( 3.430 -15.336 -0.478) 15.722 94.212 ( 0.563 8.557 0.001) 8.575 97.104 ( -0.094 -3.110 1.355) 3.394 ======================= Grid point 582 (276/504) ======================= q-point: (-0.36 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -20.171 1.779 15.067) 25.239 2.541 ( -18.842 0.976 5.277) 19.591 3.463 ( 3.316 -2.045 -1.497) 4.174 3.708 ( -5.299 6.930 -7.464) 11.480 4.021 ( 10.182 -1.786 -8.445) 13.349 4.178 ( -14.339 2.914 1.348) 14.694 4.758 ( -1.204 7.137 1.095) 7.320 5.508 ( -1.903 -4.189 2.588) 5.279 5.783 ( -22.631 -3.106 4.917) 23.366 7.272 ( -2.429 -2.866 0.478) 3.787 8.055 ( 10.418 -6.488 -8.896) 15.158 8.487 ( 7.814 1.762 5.494) 9.714 24.791 ( 0.662 15.853 0.309) 15.870 27.551 ( -1.669 5.938 0.223) 6.172 30.248 ( -3.258 -3.126 -1.096) 4.646 34.457 ( 5.353 -15.637 -0.831) 16.548 94.225 ( 0.946 9.630 -0.307) 9.681 97.143 ( 2.723 -3.361 3.396) 5.500 ======================= Grid point 583 (277/504) ======================= q-point: (-0.29 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -19.483 0.088 19.440) 27.523 2.240 ( -19.962 3.841 10.626) 22.937 3.350 ( -23.569 7.930 -6.005) 25.582 3.527 ( 0.587 -0.236 -3.114) 3.178 3.909 ( -14.414 3.156 6.045) 15.946 4.157 ( 9.990 -1.759 -14.905) 18.029 4.797 ( 3.256 9.301 0.337) 9.860 5.368 ( -21.910 -3.315 5.988) 22.954 5.498 ( -4.100 -1.933 0.694) 4.586 7.238 ( -1.300 -6.518 -2.587) 7.132 8.128 ( 4.095 -5.384 -5.212) 8.539 8.712 ( 12.338 3.142 4.337) 13.450 24.811 ( 1.178 16.462 0.447) 16.510 27.519 ( -2.046 5.334 0.238) 5.718 30.159 ( -5.300 -4.000 -2.312) 7.031 34.558 ( 6.424 -16.154 -1.195) 17.425 94.243 ( 1.535 11.336 -0.912) 11.476 97.254 ( 5.984 -4.098 6.471) 9.720 ======================= Grid point 584 (278/504) ======================= q-point: (-0.21 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -17.916 -5.843 22.460) 29.319 1.990 ( -18.474 8.736 17.001) 26.583 2.799 ( -31.523 15.829 0.967) 35.287 3.500 ( -6.524 -1.671 -1.105) 6.825 3.653 ( -13.832 5.498 -1.143) 14.929 4.207 ( 7.386 -2.586 -15.183) 17.081 4.823 ( -2.354 4.475 0.773) 5.115 5.096 ( -9.729 3.788 6.264) 12.175 5.449 ( -2.410 -2.045 -0.099) 3.162 7.160 ( -3.470 -12.414 -9.202) 15.837 8.160 ( 1.494 -4.363 1.383) 4.814 8.966 ( 12.956 7.151 2.055) 14.941 24.839 ( 1.582 17.267 0.377) 17.343 27.483 ( -2.047 4.670 0.233) 5.104 30.025 ( -7.342 -4.642 -3.375) 9.320 34.666 ( 6.562 -16.856 -1.550) 18.154 94.267 ( 2.182 13.547 -1.997) 13.866 97.455 ( 10.255 -5.728 9.529) 15.125 ======================= Grid point 585 (279/504) ======================= q-point: (-0.14 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -15.695 -9.778 24.379) 30.599 1.743 ( -23.821 9.702 14.309) 29.434 2.376 ( -17.356 24.426 15.228) 33.612 3.132 ( -28.129 4.142 3.839) 28.690 3.547 ( 0.761 3.616 -8.941) 9.674 4.238 ( 7.104 -3.017 -11.578) 13.915 4.750 ( -5.813 -4.567 4.018) 8.414 5.070 ( 0.735 11.478 1.407) 11.588 5.404 ( -2.440 -1.487 -0.642) 2.928 6.979 ( -6.929 -19.161 -14.614) 25.075 8.212 ( 0.699 -3.137 8.013) 8.633 9.192 ( 11.391 12.577 -1.641) 17.048 24.870 ( 1.634 18.068 -0.001) 18.142 27.451 ( -1.682 4.081 0.211) 4.419 29.856 ( -8.435 -4.494 -2.900) 9.988 34.766 ( 5.639 -17.684 -2.108) 18.681 94.290 ( 2.260 15.474 -3.400) 16.004 97.745 ( 13.810 -8.733 9.219) 18.761 ======================= Grid point 586 (280/504) ======================= q-point: (-0.07 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -21.696 8.799 12.826) 26.696 1.509 ( -9.425 0.181 24.984) 26.703 2.330 ( -5.115 16.491 12.779) 21.480 2.734 ( -18.150 13.312 16.475) 27.893 3.489 ( 0.385 3.709 -11.179) 11.784 4.320 ( 8.929 -3.122 -6.386) 11.413 4.673 ( -5.962 -7.944 2.370) 10.211 5.082 ( 0.779 12.994 -3.272) 13.422 5.348 ( -3.326 -2.000 0.079) 3.881 6.753 ( -5.420 -24.086 -14.608) 28.687 8.292 ( 0.185 -1.943 12.114) 12.270 9.332 ( 6.624 17.014 -6.087) 19.246 24.893 ( 0.998 18.324 -0.344) 18.355 27.428 ( -0.991 3.684 0.204) 3.820 29.708 ( -5.877 -3.686 -0.620) 6.965 34.831 ( 3.328 -18.357 -2.871) 18.876 94.296 ( 1.251 15.903 -4.064) 16.462 98.025 ( 10.359 -11.919 4.162) 16.331 ======================= Grid point 587 (281/504) ======================= q-point: ( 0.00 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.979 23.074 9.020) 24.793 1.663 ( 1.726 4.462 25.105) 25.557 2.479 ( 1.274 12.131 -4.471) 12.991 3.257 ( -0.144 27.091 24.879) 36.782 3.477 ( -0.407 3.016 -13.508) 13.847 4.371 ( -2.584 -3.311 -2.015) 4.658 4.391 ( 2.645 -10.131 2.165) 10.692 5.227 ( -1.689 -4.876 0.270) 5.168 5.297 ( 0.301 10.792 -6.118) 12.409 6.107 ( 0.325 -22.147 -17.651) 28.323 8.423 ( -0.690 5.092 14.558) 15.438 9.632 ( -0.103 10.472 -6.167) 12.153 25.374 ( 0.004 30.351 -2.349) 30.442 27.521 ( -0.101 6.861 0.277) 6.868 29.559 ( -0.048 -6.422 0.515) 6.442 34.321 ( 0.075 -34.734 -2.840) 34.850 94.628 ( 0.002 19.796 -7.992) 21.348 97.824 ( -0.058 -18.789 3.492) 19.110 ======================= Grid point 588 (282/504) ======================= q-point: ( 0.07 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 11.149 15.034 11.356) 21.892 1.959 ( 11.467 6.344 19.762) 23.712 2.621 ( 16.721 10.076 -3.947) 19.917 3.342 ( -0.867 4.204 -11.687) 12.450 3.467 ( 2.398 19.827 19.239) 27.731 4.162 ( -11.745 -3.685 -3.076) 12.688 4.597 ( 11.258 -6.367 4.365) 13.650 5.218 ( -0.114 5.470 -2.575) 6.047 5.288 ( 3.493 0.583 -2.487) 4.327 6.024 ( 3.815 -23.444 -18.178) 29.910 8.494 ( -2.915 4.464 14.731) 15.666 9.515 ( -7.188 11.485 -7.116) 15.303 25.350 ( -1.052 29.696 -1.365) 29.746 27.533 ( 1.235 7.120 0.278) 7.232 29.603 ( 4.446 -6.396 0.076) 7.790 34.281 ( -2.283 -34.403 -2.584) 34.575 94.565 ( -1.552 18.484 -5.373) 19.312 97.786 ( -6.074 -17.122 2.992) 18.413 ======================= Grid point 589 (283/504) ======================= q-point: ( 0.14 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 14.768 5.439 13.705) 20.869 2.319 ( 15.847 7.769 11.490) 21.060 2.959 ( 20.572 7.704 -1.649) 22.029 3.234 ( -0.361 0.635 -13.042) 13.062 3.668 ( 6.029 14.064 14.818) 21.300 3.936 ( -9.900 -0.032 -4.173) 10.744 4.836 ( 10.312 -2.768 6.270) 12.382 5.187 ( 0.509 7.853 -4.774) 9.204 5.381 ( 5.622 -4.112 3.896) 7.981 5.986 ( 6.634 -22.674 -19.734) 30.783 8.515 ( -5.576 3.040 12.848) 14.332 9.298 ( -11.085 11.097 -6.178) 16.858 25.321 ( -1.462 29.019 -0.552) 29.061 27.567 ( 2.296 7.842 0.269) 8.176 29.708 ( 7.051 -6.140 -0.417) 9.359 34.208 ( -3.930 -33.634 -2.041) 33.924 94.504 ( -1.845 16.971 -3.031) 17.338 97.666 ( -9.089 -14.565 2.918) 17.414 ======================= Grid point 590 (284/504) ======================= q-point: ( 0.21 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 12.864 -0.249 13.874) 18.922 2.663 ( 15.886 5.792 3.061) 17.184 3.125 ( 0.513 -1.398 -8.355) 8.486 3.311 ( 13.562 10.811 1.421) 17.402 3.739 ( -5.347 6.672 -4.592) 9.706 3.914 ( 9.940 0.152 6.750) 12.016 5.009 ( 4.237 5.256 4.274) 7.990 5.194 ( 3.778 2.812 -4.525) 6.531 5.551 ( 7.992 -9.420 10.826) 16.425 6.002 ( 10.842 -17.417 -19.722) 28.458 8.464 ( -8.594 1.172 8.954) 12.466 9.050 ( -12.060 9.524 -3.949) 15.867 25.291 ( -1.539 28.545 -0.148) 28.586 27.617 ( 2.883 8.897 0.257) 9.356 29.843 ( 7.972 -5.536 -0.476) 9.717 34.117 ( -4.651 -32.627 -1.411) 32.987 94.458 ( -1.493 15.660 -1.477) 15.800 97.511 ( -9.819 -12.093 2.334) 15.751 ======================= Grid point 591 (285/504) ======================= q-point: ( 0.29 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 9.753 -2.507 11.367) 15.186 2.893 ( 9.613 -0.535 -5.915) 11.300 3.097 ( 1.037 0.511 -1.308) 1.745 3.500 ( 5.684 12.582 2.110) 13.966 3.661 ( 0.182 11.312 -1.800) 11.456 4.130 ( 9.425 -7.806 1.236) 12.300 5.093 ( 3.841 7.495 2.519) 8.790 5.228 ( 2.280 -1.094 -2.326) 3.435 5.790 ( 9.237 -14.860 8.522) 19.462 6.130 ( 16.628 -9.433 -12.424) 22.800 8.327 ( -11.419 -0.189 3.932) 12.079 8.823 ( -11.059 6.962 -1.072) 13.111 25.263 ( -1.424 28.346 -0.029) 28.382 27.671 ( 2.884 10.084 0.244) 10.491 29.982 ( 7.523 -4.801 -0.231) 8.928 34.027 ( -4.374 -31.548 -0.833) 31.861 94.430 ( -0.936 14.731 -0.586) 14.772 97.352 ( -9.056 -9.944 1.391) 13.521 ======================= Grid point 592 (286/504) ======================= q-point: ( 0.36 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -1.779 -4.498 3.071) 5.730 2.992 ( 8.405 -1.214 -0.922) 8.542 3.140 ( 3.552 1.726 -0.593) 3.994 3.556 ( 0.573 9.124 0.009) 9.142 3.717 ( 5.320 13.229 0.387) 14.264 4.254 ( 4.453 -6.472 -0.071) 7.856 5.182 ( 3.927 3.778 0.024) 5.450 5.255 ( 1.549 -3.157 1.462) 3.808 5.971 ( 7.443 -14.021 1.460) 15.941 6.425 ( 20.295 -7.814 -1.899) 21.830 8.120 ( -12.706 -0.434 0.098) 12.713 8.638 ( -9.293 4.072 0.600) 10.164 25.240 ( -1.139 28.391 -0.029) 28.414 27.720 ( 2.293 11.170 0.236) 11.405 30.104 ( 5.964 -4.191 0.040) 7.290 33.953 ( -3.161 -30.566 -0.396) 30.732 94.416 ( -0.361 14.203 -0.127) 14.208 97.210 ( -7.305 -8.203 0.540) 10.998 ======================= Grid point 593 (287/504) ======================= q-point: ( 0.43 0.15 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -9.558 -2.132 3.219) 10.308 3.113 ( 3.687 0.741 -3.514) 5.147 3.216 ( 3.839 0.482 3.566) 5.262 3.558 ( 2.540 3.032 -3.484) 5.271 3.820 ( 5.229 12.166 0.536) 13.253 4.317 ( 3.196 -1.656 -0.283) 3.611 5.203 ( -0.844 0.829 -2.191) 2.490 5.305 ( 1.487 -4.332 3.962) 6.056 6.085 ( 3.425 -11.541 2.307) 12.258 6.791 ( 19.980 -10.117 0.561) 22.403 7.891 ( -11.369 0.078 -1.995) 11.543 8.497 ( -6.820 2.029 0.909) 7.173 25.223 ( -0.691 28.613 -0.037) 28.621 27.754 ( 1.221 11.933 0.236) 11.997 30.192 ( 3.615 -3.912 0.149) 5.328 33.911 ( -1.237 -29.843 -0.167) 29.869 94.414 ( 0.203 14.054 0.054) 14.056 97.101 ( -5.004 -6.948 0.111) 8.563 ======================= Grid point 594 (288/504) ======================= q-point: (-0.50 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -13.644 0.899 6.299) 15.055 3.053 ( -7.834 1.255 -1.803) 8.136 3.296 ( 2.880 -0.499 2.321) 3.732 3.646 ( 10.654 -0.879 -6.321) 12.420 3.903 ( 3.824 11.120 -0.400) 11.766 4.375 ( 3.600 1.750 -1.095) 4.150 5.116 ( -7.275 1.079 -1.394) 7.485 5.359 ( 1.256 -5.408 4.006) 6.846 6.105 ( -4.363 -9.819 4.201) 11.536 7.115 ( 13.943 -12.068 0.551) 18.449 7.716 ( -4.332 0.233 -3.630) 5.656 8.412 ( -3.254 1.212 1.418) 3.751 25.215 ( -0.104 28.943 -0.015) 28.943 27.766 ( -0.120 12.210 0.247) 12.213 30.233 ( 0.861 -4.089 0.032) 4.179 33.908 ( 1.017 -29.499 -0.188) 29.517 94.424 ( 0.830 14.291 0.012) 14.315 97.034 ( -2.530 -6.221 0.277) 6.721 ======================= Grid point 595 (289/504) ======================= q-point: (-0.43 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -16.444 3.568 8.992) 19.079 2.841 ( -14.762 1.185 2.011) 14.945 3.363 ( 3.554 -1.427 0.347) 3.846 3.806 ( 11.580 -1.678 -8.984) 14.752 3.950 ( 2.547 9.890 -2.389) 10.488 4.401 ( -1.452 3.463 -1.437) 4.021 4.960 ( -7.616 4.422 0.649) 8.831 5.398 ( -0.003 -6.208 3.416) 7.086 5.975 ( -13.450 -7.936 4.703) 16.309 7.233 ( -0.751 -9.299 -0.217) 9.332 7.746 ( 10.597 -4.347 -5.404) 12.665 8.409 ( 1.278 1.332 3.533) 3.987 25.220 ( 0.587 29.336 0.021) 29.342 27.753 ( -1.453 11.939 0.265) 12.031 30.223 ( -1.928 -4.758 -0.314) 5.143 33.944 ( 3.145 -29.594 -0.449) 29.764 94.445 ( 1.658 14.957 -0.292) 15.052 97.015 ( -0.107 -6.034 1.153) 6.145 ======================= Grid point 596 (290/504) ======================= q-point: (-0.36 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -18.606 4.699 10.601) 21.923 2.583 ( -16.683 3.679 7.525) 18.668 3.426 ( 3.393 -1.804 -0.740) 3.913 3.854 ( -1.842 6.208 -9.373) 11.392 3.994 ( 6.558 0.482 -8.145) 10.468 4.260 ( -11.994 5.478 1.437) 13.264 4.923 ( 2.615 8.853 0.868) 9.271 5.397 ( -2.857 -6.900 2.774) 7.967 5.703 ( -19.036 -4.989 4.186) 20.119 7.165 ( -4.416 -9.055 -2.584) 10.400 7.920 ( 11.176 -6.044 -6.391) 14.222 8.520 ( 7.275 1.377 6.991) 10.183 25.237 ( 1.352 29.772 -0.004) 29.803 27.719 ( -2.506 11.178 0.284) 11.459 30.160 ( -4.487 -5.824 -0.878) 7.404 34.011 ( 4.744 -30.120 -0.873) 30.504 94.480 ( 2.835 16.104 -1.025) 16.383 97.048 ( 2.269 -6.428 2.874) 7.398 ======================= Grid point 597 (291/504) ======================= q-point: (-0.29 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -20.195 3.284 11.805) 23.622 2.367 ( -15.320 9.279 14.116) 22.805 3.460 ( -0.536 0.107 -1.991) 2.065 3.607 ( -16.440 10.989 -5.717) 20.584 3.965 ( -6.389 1.213 -3.339) 7.310 4.150 ( 2.684 2.385 -7.716) 8.511 4.989 ( 1.173 8.485 -0.489) 8.580 5.285 ( -12.250 -4.282 4.402) 13.703 5.459 ( -6.849 -1.919 2.056) 7.404 7.044 ( -5.547 -13.328 -7.360) 16.204 8.042 ( 6.568 -2.711 -3.593) 7.963 8.760 ( 12.806 1.405 8.351) 15.353 25.268 ( 2.147 30.236 -0.228) 30.313 27.670 ( -3.075 10.086 0.295) 10.548 30.051 ( -6.679 -7.008 -1.569) 9.807 34.098 ( 5.568 -31.009 -1.336) 31.533 94.533 ( 4.332 17.661 -2.515) 18.357 97.140 ( 4.859 -7.580 5.417) 10.507 ======================= Grid point 598 (292/504) ======================= q-point: (-0.21 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -18.882 1.990 15.533) 24.530 2.210 ( -15.055 13.759 16.463) 26.210 3.161 ( -22.102 19.854 1.287) 29.738 3.480 ( -4.515 -0.175 -0.644) 4.564 3.770 ( -10.612 5.806 -4.412) 12.876 4.153 ( 4.761 -2.318 -12.393) 13.477 4.850 ( -13.263 -1.333 2.340) 13.534 5.229 ( 2.075 7.633 1.477) 8.046 5.408 ( -1.675 -1.281 0.919) 2.300 6.847 ( -8.370 -18.481 -13.846) 24.563 8.127 ( 3.850 1.136 2.351) 4.652 9.072 ( 15.287 3.108 6.867) 17.045 25.310 ( 2.792 30.654 -0.847) 30.793 27.616 ( -3.063 8.887 0.290) 9.405 29.902 ( -8.259 -7.781 -1.992) 11.521 34.188 ( 5.523 -32.160 -1.763) 32.678 94.598 ( 5.544 19.264 -5.041) 20.670 97.301 ( 7.803 -9.931 7.972) 14.936 ======================= Grid point 599 (293/504) ======================= q-point: (-0.14 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -12.434 3.209 21.028) 24.639 2.000 ( -19.881 16.048 11.881) 28.177 2.853 ( -15.174 22.582 6.667) 28.012 3.270 ( -18.197 10.879 7.904) 22.627 3.628 ( 0.072 4.088 -10.099) 10.895 4.162 ( 5.396 -4.275 -9.766) 11.949 4.661 ( -9.738 -4.376 3.598) 11.266 5.274 ( 1.694 6.193 -0.418) 6.434 5.386 ( -1.371 1.654 -0.727) 2.268 6.562 ( -9.974 -21.360 -18.354) 29.876 8.220 ( 2.421 3.671 8.205) 9.309 9.378 ( 14.120 5.793 2.835) 15.523 25.352 ( 2.784 30.868 -1.879) 31.050 27.567 ( -2.486 7.825 0.275) 8.216 29.737 ( -8.254 -7.610 -1.450) 11.320 34.267 ( 4.553 -33.406 -2.207) 33.787 94.652 ( 5.183 20.314 -7.969) 22.429 97.520 ( 9.634 -13.791 8.413) 18.810 ======================= Grid point 600 (294/504) ======================= q-point: (-0.07 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.391 7.595 22.524) 23.890 1.714 ( -17.798 18.237 11.277) 27.866 2.622 ( -12.545 13.673 -1.742) 18.637 3.137 ( -6.969 26.238 22.756) 35.424 3.565 ( 0.897 3.356 -12.650) 13.118 4.231 ( 8.062 -5.793 -4.760) 11.010 4.530 ( -8.155 -6.745 2.874) 10.966 5.272 ( -1.972 -1.257 -0.015) 2.339 5.341 ( -1.278 7.938 -4.240) 9.089 6.280 ( -5.877 -21.610 -18.743) 29.204 8.324 ( 1.067 4.872 12.371) 13.339 9.588 ( 8.344 8.385 -2.473) 12.085 25.377 ( 1.638 30.763 -2.657) 30.921 27.533 ( -1.438 7.109 0.270) 7.258 29.605 ( -5.230 -6.819 -0.103) 8.594 34.316 ( 2.611 -34.395 -2.660) 34.596 94.665 ( 2.786 20.477 -9.303) 22.663 97.728 ( 6.871 -17.682 5.870) 19.858 ======================= Grid point 601 (295/504) ======================= q-point: ( 0.00 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.159 10.734 17.069) 20.409 1.991 ( -1.170 23.591 7.731) 24.853 2.741 ( 0.845 14.543 -5.336) 15.514 3.485 ( -0.433 -2.360 -16.294) 16.470 3.790 ( -0.421 25.616 17.620) 31.094 4.212 ( -0.326 -6.018 2.855) 6.668 4.303 ( 0.539 -3.977 -1.454) 4.269 5.098 ( -1.402 -7.979 0.045) 8.101 5.446 ( 0.145 3.045 -3.862) 4.920 5.815 ( 0.468 -7.589 -20.605) 21.963 8.561 ( -0.556 8.897 12.913) 15.691 9.741 ( -0.064 1.344 -1.251) 1.837 26.055 ( -0.020 39.585 -3.150) 39.710 27.682 ( -0.113 9.757 0.360) 9.765 29.407 ( 0.069 -9.225 0.500) 9.239 33.517 ( 0.043 -47.590 -2.855) 47.675 95.009 ( 0.065 19.048 -9.229) 21.166 97.440 ( -0.059 -20.317 4.015) 20.710 ======================= Grid point 602 (296/504) ======================= q-point: ( 0.07 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 1.300 9.423 17.432) 19.858 2.205 ( 14.348 17.918 8.011) 24.313 2.841 ( 13.297 12.114 -5.003) 18.671 3.348 ( -1.975 -2.741 -15.679) 16.039 3.885 ( -0.961 19.391 13.339) 23.555 4.090 ( -8.222 -1.995 -1.272) 8.555 4.479 ( 12.310 -5.082 4.421) 14.032 5.144 ( 5.317 -6.867 0.890) 8.730 5.411 ( -0.282 4.288 -5.314) 6.834 5.695 ( 1.457 -9.190 -18.666) 20.857 8.615 ( -3.757 7.826 13.200) 15.799 9.653 ( -7.596 3.033 -3.073) 8.738 26.024 ( -1.123 39.479 -2.264) 39.560 27.701 ( 1.848 10.119 0.355) 10.292 29.453 ( 4.533 -9.124 0.204) 10.190 33.483 ( -1.647 -47.335 -2.602) 47.436 94.935 ( -1.825 19.139 -6.753) 20.377 97.426 ( -3.991 -19.532 3.134) 20.181 ======================= Grid point 603 (297/504) ======================= q-point: ( 0.14 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.746 4.904 17.559) 19.439 2.529 ( 15.640 13.218 4.534) 20.973 3.084 ( 12.212 3.830 -4.876) 13.696 3.241 ( 5.152 1.084 -11.263) 12.433 3.923 ( -3.593 3.188 1.862) 5.152 3.969 ( -2.579 11.640 3.556) 12.441 4.758 ( 13.809 -4.909 6.620) 16.082 5.243 ( 2.518 -2.862 1.402) 4.062 5.382 ( 1.263 4.275 -3.418) 5.618 5.627 ( 6.359 -13.493 -18.263) 23.581 8.603 ( -7.112 6.059 11.401) 14.740 9.447 ( -12.338 4.178 -3.049) 13.378 25.987 ( -1.536 39.381 -1.301) 39.433 27.751 ( 3.420 11.066 0.334) 11.587 29.563 ( 7.490 -8.787 -0.182) 11.547 33.426 ( -2.852 -46.524 -2.086) 46.658 94.857 ( -2.372 18.949 -4.192) 19.552 97.350 ( -6.326 -17.603 2.561) 18.879 ======================= Grid point 604 (298/504) ======================= q-point: ( 0.21 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 9.018 1.134 15.513) 17.979 2.788 ( 11.158 6.520 -3.147) 13.301 3.090 ( 0.669 -1.873 -4.604) 5.016 3.479 ( 16.944 5.792 -0.822) 17.926 3.857 ( -0.867 5.449 -2.277) 5.969 3.988 ( 0.279 7.435 2.404) 7.819 5.036 ( 10.975 -3.342 5.032) 12.528 5.240 ( -1.482 0.475 -0.398) 1.606 5.401 ( 2.604 -2.589 -0.927) 3.787 5.712 ( 14.604 -13.091 -12.669) 23.349 8.514 ( -10.148 4.125 7.822) 13.460 9.187 ( -14.154 4.357 -1.794) 14.917 25.953 ( -1.515 39.369 -0.613) 39.403 27.824 ( 4.301 12.419 0.304) 13.146 29.710 ( 8.726 -8.141 -0.337) 11.939 33.356 ( -3.366 -45.369 -1.442) 45.517 94.795 ( -2.049 18.572 -2.253) 18.820 97.242 ( -7.112 -15.345 1.883) 17.017 ======================= Grid point 605 (299/504) ======================= q-point: ( 0.29 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 8.358 -0.522 11.536) 14.256 2.873 ( 4.605 -1.483 -8.194) 9.516 3.123 ( 3.504 2.099 0.024) 4.085 3.702 ( 4.343 5.778 3.935) 8.230 3.878 ( 4.108 11.079 -0.945) 11.854 4.032 ( 6.152 -0.516 -2.349) 6.605 5.163 ( 1.782 -2.500 -0.175) 3.075 5.223 ( -0.225 2.182 0.903) 2.372 5.519 ( 10.162 -11.234 0.466) 15.156 5.940 ( 17.039 -10.635 -5.431) 20.806 8.351 ( -12.163 2.836 3.627) 13.005 8.926 ( -13.685 3.475 -0.214) 14.121 25.925 ( -1.263 39.524 -0.222) 39.545 27.905 ( 4.317 13.917 0.278) 14.574 29.864 ( 8.346 -7.379 -0.286) 11.144 33.289 ( -3.115 -44.103 -0.815) 44.220 94.753 ( -1.352 18.200 -1.027) 18.279 97.127 ( -6.724 -13.153 1.101) 14.813 ======================= Grid point 606 (300/504) ======================= q-point: ( 0.36 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -1.335 -1.443 2.117) 2.889 2.965 ( 9.904 -1.567 0.075) 10.027 3.179 ( 3.026 2.167 -0.907) 3.831 3.692 ( -5.343 3.073 0.671) 6.200 3.963 ( 5.052 11.855 0.357) 12.892 4.175 ( 8.998 -0.189 -0.420) 9.010 5.174 ( 0.651 -4.600 0.152) 4.648 5.231 ( -0.065 0.608 0.463) 0.767 5.709 ( 9.663 -12.262 0.356) 15.616 6.235 ( 17.670 -11.656 -0.908) 21.188 8.139 ( -12.451 2.681 0.369) 12.742 8.699 ( -11.598 1.960 0.680) 11.782 25.905 ( -0.861 39.837 -0.034) 39.847 27.979 ( 3.450 15.265 0.264) 15.652 29.999 ( 6.586 -6.749 -0.188) 9.432 33.237 ( -2.142 -42.949 -0.324) 43.004 94.731 ( -0.547 17.958 -0.357) 17.970 97.021 ( -5.511 -11.258 0.437) 12.542 ======================= Grid point 607 (301/504) ======================= q-point: ( 0.43 0.23 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -6.070 0.485 2.647) 6.640 3.118 ( 5.518 -0.218 -3.582) 6.582 3.235 ( 2.611 1.307 3.493) 4.552 3.590 ( -2.752 -0.386 -3.284) 4.303 4.052 ( 4.138 11.484 0.954) 12.244 4.317 ( 6.817 2.089 -0.048) 7.130 5.195 ( 0.706 -3.381 -0.533) 3.495 5.214 ( -1.940 -3.462 1.733) 4.331 5.853 ( 5.009 -11.863 1.773) 12.999 6.546 ( 16.522 -14.843 0.459) 22.215 7.924 ( -10.512 3.464 -1.461) 11.164 8.524 ( -8.145 0.667 0.951) 8.227 25.894 ( -0.342 40.235 0.035) 40.236 28.029 ( 1.856 16.191 0.268) 16.299 30.092 ( 3.816 -6.453 -0.164) 7.499 33.210 ( -0.623 -42.104 -0.064) 42.109 94.728 ( 0.304 17.901 -0.083) 17.904 96.938 ( -3.814 -9.823 0.094) 10.538 ======================= Grid point 608 (302/504) ======================= q-point: (-0.50 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -9.432 4.115 4.927) 11.409 3.072 ( -7.611 0.680 -2.166) 7.943 3.293 ( 1.451 0.007 2.534) 2.920 3.620 ( 8.921 -1.916 -5.506) 10.656 4.120 ( 2.910 10.888 -0.115) 11.271 4.425 ( 5.633 3.427 -1.217) 6.705 5.126 ( -5.521 -0.392 -0.753) 5.586 5.242 ( 0.985 -6.348 2.895) 7.046 5.897 ( -2.422 -11.059 3.339) 11.803 6.814 ( 12.208 -18.379 -0.245) 22.065 7.763 ( -5.207 4.401 -2.107) 7.136 8.426 ( -3.585 0.058 1.573) 3.915 25.893 ( 0.277 40.623 0.023) 40.624 28.047 ( -0.148 16.503 0.289) 16.506 30.130 ( 0.512 -6.610 -0.250) 6.635 33.214 ( 1.131 -41.706 -0.091) 41.721 94.741 ( 1.275 18.047 -0.136) 18.092 96.887 ( -1.936 -8.947 0.202) 9.156 ======================= Grid point 609 (303/504) ======================= q-point: (-0.43 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -12.507 7.509 5.491) 15.587 2.875 ( -13.023 2.476 3.262) 13.652 3.340 ( 2.689 -1.141 0.181) 2.927 3.762 ( 10.730 -2.653 -8.109) 13.708 4.150 ( 1.250 10.300 -2.324) 10.633 4.478 ( -0.104 4.386 -1.478) 4.630 5.035 ( -2.777 2.866 0.590) 4.034 5.269 ( -0.306 -6.721 2.654) 7.233 5.805 ( -10.449 -9.173 3.912) 14.444 6.948 ( 3.291 -19.277 -2.962) 19.779 7.737 ( 4.115 2.955 -1.648) 5.327 8.423 ( 1.466 -0.008 3.537) 3.828 25.904 ( 0.981 40.918 -0.074) 40.930 28.028 ( -2.144 16.133 0.317) 16.278 30.107 ( -2.836 -7.235 -0.436) 7.783 33.248 ( 2.746 -41.821 -0.403) 41.913 94.772 ( 2.504 18.384 -0.568) 18.563 96.872 ( -0.070 -8.673 0.857) 8.716 ======================= Grid point 610 (304/504) ======================= q-point: (-0.36 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -16.030 8.696 3.817) 18.632 2.693 ( -11.802 7.777 10.512) 17.615 3.390 ( 3.081 -2.053 -1.125) 3.869 3.866 ( 7.800 -2.871 -11.594) 14.266 4.112 ( -3.637 9.460 -5.173) 11.379 4.383 ( -8.696 6.842 1.532) 11.171 5.067 ( 4.736 5.399 0.034) 7.181 5.260 ( -2.840 -6.679 2.398) 7.644 5.597 ( -14.291 -5.757 3.776) 15.863 6.901 ( -3.820 -18.006 -7.078) 19.720 7.863 ( 9.693 0.495 -1.043) 9.762 8.533 ( 6.779 -0.209 6.956) 9.715 25.928 ( 1.749 41.061 -0.307) 41.099 27.976 ( -3.717 15.159 0.342) 15.612 30.024 ( -5.800 -8.201 -0.690) 10.069 33.304 ( 3.899 -42.441 -0.919) 42.630 94.824 ( 4.064 18.835 -1.570) 19.332 96.897 ( 1.741 -9.051 2.144) 9.463 ======================= Grid point 611 (305/504) ======================= q-point: (-0.29 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -17.204 9.738 4.225) 20.215 2.592 ( -9.873 13.523 14.878) 22.399 3.429 ( 2.426 -2.514 -2.485) 4.287 3.830 ( -6.457 7.758 -9.702) 14.001 3.965 ( -4.409 2.766 -5.997) 7.940 4.256 ( -5.830 7.407 -0.618) 9.447 5.055 ( -10.631 -1.498 1.033) 10.786 5.249 ( 2.718 0.285 0.429) 2.766 5.429 ( -5.115 -1.212 3.460) 6.293 6.732 ( -7.204 -18.564 -12.211) 23.359 8.035 ( 9.207 2.090 0.308) 9.446 8.763 ( 12.106 -0.987 9.859) 15.643 25.962 ( 2.504 41.001 -0.773) 41.084 27.903 ( -4.561 13.781 0.357) 14.521 29.893 ( -8.015 -9.214 -0.929) 12.248 33.372 ( 4.403 -43.480 -1.505) 43.728 94.896 ( 5.718 19.204 -3.436) 20.330 96.966 ( 3.579 -10.223 4.005) 11.548 ======================= Grid point 612 (306/504) ======================= q-point: (-0.21 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -13.884 12.441 7.682) 20.164 2.508 ( -11.501 16.498 13.527) 24.237 3.410 ( -4.925 1.169 -3.085) 5.928 3.601 ( -9.201 15.524 -1.050) 18.076 3.850 ( -5.492 2.668 -6.557) 8.959 4.153 ( -2.381 3.145 -6.103) 7.267 4.813 ( -14.640 -1.825 2.253) 14.924 5.286 ( 0.756 -1.187 -0.296) 1.438 5.436 ( 1.364 2.544 2.470) 3.799 6.482 ( -8.551 -18.804 -17.949) 27.366 8.194 ( 6.970 5.434 3.448) 9.487 9.086 ( 15.319 -1.360 9.941) 18.313 26.005 ( 3.004 40.701 -1.570) 40.842 27.822 ( -4.531 12.276 0.359) 13.090 29.730 ( -9.025 -9.851 -0.938) 13.393 33.438 ( 4.206 -44.782 -2.044) 45.025 94.976 ( 6.639 19.254 -6.218) 21.295 97.081 ( 5.341 -12.454 5.869) 14.768 ======================= Grid point 613 (307/504) ======================= q-point: (-0.14 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -6.487 15.093 12.064) 20.382 2.339 ( -15.747 18.356 8.973) 25.796 3.177 ( -15.675 10.955 -3.028) 19.362 3.550 ( 0.541 12.403 2.430) 12.651 3.709 ( -4.954 7.966 -2.722) 9.768 4.104 ( 1.911 -0.638 -6.639) 6.938 4.591 ( -11.683 -2.554 2.306) 12.179 5.273 ( -2.609 -3.028 -0.123) 3.999 5.462 ( -0.170 2.053 1.425) 2.505 6.201 ( -6.195 -15.614 -22.487) 28.069 8.336 ( 4.682 7.910 7.342) 11.764 9.420 ( 14.204 -1.016 7.011) 15.873 26.044 ( 2.786 40.221 -2.601) 40.401 27.750 ( -3.647 10.944 0.354) 11.542 29.567 ( -8.110 -9.834 -0.478) 12.755 33.491 ( 3.326 -46.115 -2.484) 46.301 95.037 ( 5.748 19.020 -9.052) 21.834 97.231 ( 6.037 -15.750 6.533) 18.089 ======================= Grid point 614 (308/504) ======================= q-point: (-0.07 0.23 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.888 15.108 15.030) 21.394 2.107 ( -14.544 21.158 7.464) 26.738 2.884 ( -11.872 13.494 -4.751) 18.591 3.573 ( 3.006 0.026 -13.563) 13.893 3.677 ( -2.326 24.465 16.951) 29.854 4.130 ( 4.838 -3.276 -3.417) 6.769 4.420 ( -9.086 -4.322 1.876) 10.235 5.183 ( -6.505 -6.410 0.035) 9.132 5.460 ( 0.092 1.997 -1.134) 2.298 5.972 ( -1.540 -10.053 -23.061) 25.204 8.462 ( 2.255 9.002 10.774) 14.220 9.662 ( 8.337 -0.147 2.535) 8.715 26.064 ( 1.581 39.792 -3.323) 39.962 27.700 ( -2.076 10.049 0.355) 10.268 29.447 ( -4.773 -9.448 0.226) 10.587 33.520 ( 1.848 -47.154 -2.790) 47.272 95.050 ( 3.057 18.901 -10.298) 21.740 97.369 ( 4.095 -18.962 5.491) 20.162 ======================= Grid point 615 (309/504) ======================= q-point: ( 0.00 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 1.981 14.528 6.375) 15.989 2.430 ( -0.723 21.368 6.716) 22.410 3.022 ( 0.506 13.715 -5.559) 14.807 3.364 ( -0.361 -9.563 -16.341) 18.937 4.099 ( 0.447 4.763 -4.989) 6.912 4.227 ( 1.486 -2.737 -0.757) 3.205 4.317 ( -2.196 16.699 11.476) 20.381 4.922 ( -0.973 -10.129 -0.453) 10.186 5.431 ( 0.761 -2.500 -4.609) 5.299 5.761 ( -0.117 -0.680 -12.727) 12.745 8.758 ( -0.448 11.090 10.807) 15.491 9.706 ( -0.096 -4.442 2.830) 5.267 26.899 ( -0.062 47.393 -3.208) 47.501 27.895 ( -0.081 12.065 0.439) 12.073 29.205 ( 0.166 -11.552 0.489) 11.564 32.503 ( 0.013 -56.459 -3.052) 56.542 95.360 ( 0.112 17.289 -7.931) 19.022 97.049 ( -0.035 -19.798 2.866) 20.004 ======================= Grid point 616 (310/504) ======================= q-point: ( 0.07 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.518 10.624 9.939) 14.558 2.572 ( 9.979 18.871 5.623) 22.075 3.064 ( 6.878 9.144 -6.008) 12.924 3.246 ( 0.623 -6.112 -13.869) 15.169 4.035 ( -2.584 2.626 -5.862) 6.923 4.213 ( -1.761 5.935 2.527) 6.687 4.453 ( 8.652 4.189 4.371) 10.560 4.986 ( 7.433 -9.391 0.275) 11.980 5.401 ( -0.007 -2.179 -5.626) 6.033 5.660 ( -2.772 1.890 -8.691) 9.316 8.790 ( -4.471 10.026 10.966) 15.517 9.648 ( -7.396 -3.062 0.814) 8.046 26.868 ( -0.972 47.439 -2.538) 47.517 27.921 ( 2.597 12.483 0.415) 12.757 29.253 ( 4.720 -11.430 0.263) 12.369 32.473 ( -1.023 -56.258 -2.744) 56.334 95.296 ( -1.578 18.082 -6.171) 19.171 97.044 ( -2.447 -19.688 2.189) 19.959 ======================= Grid point 617 (311/504) ======================= q-point: ( 0.14 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.974 6.405 12.335) 14.456 2.796 ( 10.188 13.126 0.767) 16.633 3.061 ( -0.012 -4.592 -7.356) 8.671 3.320 ( 13.641 5.960 -6.067) 16.075 3.961 ( -0.660 3.334 -4.940) 5.996 4.195 ( -2.119 8.818 1.314) 9.163 4.667 ( 12.928 -4.132 0.687) 13.589 5.156 ( 9.259 -7.326 1.755) 11.937 5.365 ( 1.094 -3.180 -5.146) 6.147 5.544 ( -4.053 2.589 -6.449) 8.045 8.746 ( -8.292 8.446 9.389) 15.108 9.468 ( -12.413 -1.601 0.123) 12.517 26.833 ( -1.280 47.614 -1.655) 47.660 27.991 ( 4.741 13.494 0.359) 14.307 29.370 ( 7.949 -11.123 -0.052) 13.671 32.430 ( -1.749 -55.533 -2.186) 55.603 95.225 ( -2.215 18.763 -4.132) 19.340 96.997 ( -4.038 -18.587 1.683) 19.094 ======================= Grid point 618 (312/504) ======================= q-point: ( 0.21 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 7.206 2.467 12.168) 14.355 2.866 ( 1.675 -0.188 -8.271) 8.441 3.095 ( 5.518 4.050 0.208) 6.848 3.545 ( 12.658 1.651 -1.489) 12.851 3.965 ( 4.136 5.870 -2.095) 7.480 4.152 ( -1.811 8.196 -2.575) 8.779 4.908 ( 13.207 -7.619 -1.576) 15.328 5.251 ( -1.426 1.279 4.521) 4.910 5.416 ( -1.304 -0.199 -1.332) 1.874 5.476 ( 11.093 -9.705 -7.672) 16.616 8.623 ( -11.237 6.937 6.426) 14.686 9.221 ( -14.734 -0.604 0.276) 14.749 26.802 ( -1.153 47.923 -0.878) 47.945 28.091 ( 5.941 14.899 0.289) 16.043 29.528 ( 9.403 -10.639 -0.254) 14.201 32.383 ( -2.034 -54.472 -1.491) 54.531 95.163 ( -2.024 19.172 -2.407) 19.429 96.927 ( -4.671 -16.983 1.194) 17.654 ======================= Grid point 619 (313/504) ======================= q-point: ( 0.29 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 8.322 0.372 9.743) 12.819 2.835 ( 1.663 -2.475 -6.080) 6.772 3.179 ( 3.965 3.702 -1.839) 5.728 3.697 ( 2.194 -4.004 2.705) 5.307 4.072 ( 7.925 8.263 -1.865) 11.600 4.127 ( 2.981 8.137 -2.758) 9.094 5.069 ( 5.117 -5.371 -2.982) 7.996 5.250 ( -2.189 0.304 3.994) 4.564 5.383 ( 3.458 -3.581 -1.578) 5.223 5.713 ( 15.641 -12.599 -2.207) 20.205 8.438 ( -12.621 6.027 3.092) 14.325 8.956 ( -14.672 -0.322 0.537) 14.685 26.780 ( -0.807 48.372 -0.326) 48.379 28.202 ( 5.958 16.432 0.227) 17.481 29.695 ( 9.051 -10.107 -0.329) 13.571 32.340 ( -1.814 -53.311 -0.802) 53.348 95.120 ( -1.381 19.358 -1.206) 19.445 96.850 ( -4.488 -15.232 0.692) 15.895 ======================= Grid point 620 (314/504) ======================= q-point: ( 0.36 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -0.334 0.519 1.375) 1.507 2.932 ( 10.649 -1.795 1.491) 10.902 3.222 ( 2.600 2.299 -1.675) 3.854 3.657 ( -6.339 -5.275 0.314) 8.252 4.168 ( 5.162 9.154 -0.217) 10.511 4.253 ( 8.556 6.549 0.045) 10.775 5.089 ( 0.207 -3.547 -0.538) 3.594 5.211 ( -3.095 -2.374 0.626) 3.950 5.511 ( 8.587 -8.126 0.280) 11.826 5.983 ( 14.858 -13.999 -0.224) 20.415 8.224 ( -12.127 5.900 0.416) 13.492 8.711 ( -12.581 -0.622 0.516) 12.607 26.768 ( -0.371 48.904 -0.005) 48.906 28.302 ( 4.764 17.795 0.196) 18.423 29.840 ( 7.108 -9.680 -0.357) 12.014 32.309 ( -1.100 -52.270 -0.253) 52.282 95.096 ( -0.550 19.419 -0.501) 19.434 96.779 ( -3.703 -13.596 0.269) 14.094 ======================= Grid point 621 (315/504) ======================= q-point: ( 0.43 0.31 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -2.246 3.216 2.146) 4.471 3.106 ( 6.543 -0.987 -2.685) 7.141 3.261 ( 1.539 1.257 2.488) 3.184 3.540 ( -3.666 -4.266 -1.966) 5.958 4.255 ( 3.638 9.196 1.489) 10.001 4.391 ( 6.874 4.970 -0.360) 8.490 5.096 ( 0.268 -4.995 1.425) 5.201 5.157 ( -2.852 -3.749 -0.494) 4.737 5.646 ( 5.122 -8.978 1.383) 10.429 6.234 ( 12.728 -16.803 0.253) 21.081 8.021 ( -9.705 6.353 -1.114) 11.653 8.520 ( -8.777 -1.146 0.536) 8.867 26.766 ( 0.102 49.416 0.116) 49.417 28.370 ( 2.568 18.712 0.204) 18.889 29.939 ( 3.986 -9.482 -0.402) 10.294 32.298 ( -0.003 -51.521 0.044) 51.521 95.093 ( 0.374 19.426 -0.200) 19.431 96.723 ( -2.549 -12.275 0.039) 12.536 ======================= Grid point 622 (316/504) ======================= q-point: (-0.50 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -4.232 7.376 3.020) 9.024 3.081 ( -6.359 0.364 -1.533) 6.552 3.292 ( 0.526 -0.167 1.375) 1.482 3.572 ( 7.919 -2.968 -2.728) 8.886 4.314 ( 2.288 9.002 0.199) 9.290 4.500 ( 5.788 3.976 -1.244) 7.131 5.087 ( -2.964 -3.890 0.827) 4.959 5.131 ( 0.604 -4.554 1.095) 4.723 5.699 ( -1.136 -8.862 2.508) 9.279 6.432 ( 8.995 -20.291 -0.821) 22.211 7.875 ( -5.143 6.905 -1.254) 8.701 8.411 ( -3.820 -1.634 1.229) 4.332 26.773 ( 0.602 49.792 0.064) 49.796 28.394 ( -0.189 18.989 0.248) 18.991 29.974 ( 0.236 -9.586 -0.471) 9.600 32.310 ( 1.240 -51.171 0.014) 51.186 95.107 ( 1.426 19.399 -0.252) 19.452 96.689 ( -1.238 -11.398 0.093) 11.465 ======================= Grid point 623 (317/504) ======================= q-point: (-0.43 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -8.224 10.495 0.215) 13.335 2.943 ( -8.499 4.691 5.632) 11.223 3.315 ( 1.673 -1.489 -0.582) 2.314 3.706 ( 8.872 -3.207 -5.582) 10.961 4.337 ( 0.793 8.728 -2.152) 9.024 4.563 ( 1.024 4.060 -1.006) 4.306 5.062 ( 0.980 0.011 0.621) 1.160 5.151 ( 0.103 -5.236 1.570) 5.468 5.637 ( -7.734 -7.748 3.120) 11.383 6.530 ( 3.332 -22.831 -3.877) 23.397 7.835 ( 1.433 6.632 0.085) 6.785 8.404 ( 1.490 -1.983 3.103) 3.973 26.788 ( 1.133 49.936 -0.151) 49.949 28.367 ( -2.928 18.568 0.308) 18.800 29.940 ( -3.539 -9.985 -0.540) 10.607 32.341 ( 2.330 -51.276 -0.345) 51.330 95.141 ( 2.680 19.300 -0.704) 19.497 96.681 ( 0.083 -11.036 0.506) 11.048 ======================= Grid point 624 (318/504) ======================= q-point: (-0.36 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -12.126 12.016 -2.545) 17.260 2.881 ( -5.596 11.320 11.772) 17.263 3.342 ( 2.322 -2.968 -2.211) 4.370 3.798 ( 6.867 -3.946 -9.188) 12.130 4.299 ( -3.161 9.342 -4.304) 10.761 4.513 ( -5.723 6.333 1.605) 8.685 5.114 ( 0.064 -0.891 -0.328) 0.951 5.167 ( 3.532 -1.909 0.979) 4.133 5.485 ( -10.229 -5.602 3.391) 12.146 6.493 ( -2.462 -23.260 -8.703) 24.956 7.928 ( 7.684 5.599 2.037) 9.724 8.509 ( 6.539 -2.301 6.157) 9.272 26.812 ( 1.691 49.795 -0.534) 49.826 28.296 ( -5.079 17.542 0.362) 18.266 29.842 ( -6.770 -10.581 -0.579) 12.575 32.386 ( 3.019 -51.840 -0.948) 51.936 95.194 ( 4.106 19.032 -1.698) 19.543 96.700 ( 1.357 -11.249 1.328) 11.408 ======================= Grid point 625 (319/504) ======================= q-point: (-0.29 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -11.564 15.307 -1.802) 19.268 2.875 ( -5.326 15.239 12.666) 20.519 3.364 ( 2.591 -4.305 -4.325) 6.629 3.822 ( 3.604 -3.858 -11.545) 12.695 4.163 ( -8.360 12.969 -2.000) 15.559 4.407 ( -6.865 7.860 0.186) 10.437 5.011 ( -10.860 -1.752 1.426) 11.092 5.241 ( 1.710 -1.382 -0.401) 2.235 5.398 ( -0.525 -2.466 3.086) 3.985 6.335 ( -5.579 -22.180 -14.464) 27.061 8.116 ( 10.404 5.975 3.412) 12.474 8.724 ( 11.258 -2.997 9.424) 14.985 26.841 ( 2.205 49.364 -1.111) 49.426 28.195 ( -6.225 16.122 0.397) 17.287 29.695 ( -8.943 -11.186 -0.550) 14.333 32.434 ( 3.200 -52.789 -1.649) 52.912 95.263 ( 5.374 18.479 -3.384) 19.540 96.748 ( 2.561 -12.139 2.494) 12.654 ======================= Grid point 626 (320/504) ======================= q-point: (-0.21 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -7.611 18.868 0.349) 20.348 2.833 ( -8.559 16.641 9.414) 20.947 3.368 ( 1.424 -4.458 -6.029) 7.632 3.751 ( -2.749 -1.143 -12.144) 12.504 4.026 ( -5.679 15.927 2.625) 17.112 4.270 ( -6.669 8.294 -2.303) 10.889 4.793 ( -13.330 -0.150 1.809) 13.453 5.246 ( -0.781 -2.465 0.474) 2.629 5.433 ( -0.233 -3.074 3.545) 4.697 6.120 ( -3.925 -18.718 -20.328) 27.910 8.327 ( 9.398 8.027 4.799) 13.258 9.031 ( 14.357 -4.040 10.798) 18.414 26.874 ( 2.477 48.718 -1.882) 48.817 28.084 ( -6.170 14.585 0.414) 15.842 29.522 ( -9.554 -11.585 -0.375) 15.021 32.475 ( 2.891 -53.969 -2.298) 54.096 95.334 ( 5.797 17.668 -5.631) 19.429 96.825 ( 3.531 -13.831 3.639) 14.731 ======================= Grid point 627 (321/504) ======================= q-point: (-0.14 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.924 20.558 2.743) 20.829 2.692 ( -12.337 17.758 5.778) 22.381 3.304 ( -5.097 1.535 -5.542) 7.684 3.587 ( -2.937 -1.932 -14.933) 15.341 4.010 ( 0.013 15.199 6.144) 16.393 4.172 ( -2.288 8.580 -1.693) 9.039 4.575 ( -12.062 1.206 1.985) 12.283 5.187 ( -7.049 -6.149 0.433) 9.364 5.433 ( -1.202 -3.966 2.679) 4.935 5.945 ( 1.288 -11.524 -22.208) 25.053 8.514 ( 6.693 10.090 6.924) 13.948 9.358 ( 13.267 -4.887 9.256) 16.898 26.901 ( 2.192 48.037 -2.722) 48.164 27.985 ( -4.941 13.230 0.424) 14.129 29.358 ( -8.133 -11.684 -0.010) 14.236 32.504 ( 2.171 -55.150 -2.790) 55.263 95.385 ( 4.776 16.947 -7.706) 19.220 96.920 ( 3.692 -16.209 4.125) 17.128 ======================= Grid point 628 (322/504) ======================= q-point: (-0.07 0.31 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 2.857 19.016 4.556) 19.762 2.508 ( -11.030 19.792 5.438) 23.301 3.131 ( -7.637 11.041 -5.211) 14.401 3.469 ( 1.211 -8.190 -16.933) 18.849 4.078 ( 3.157 8.781 1.523) 9.455 4.164 ( 1.246 10.445 2.449) 10.801 4.396 ( -9.870 4.149 4.497) 11.613 5.025 ( -8.975 -9.883 -0.516) 13.360 5.437 ( 0.776 -2.897 -1.432) 3.324 5.845 ( 2.315 -4.921 -17.983) 18.788 8.661 ( 3.342 11.180 9.221) 14.872 9.606 ( 7.719 -5.120 6.011) 11.042 26.911 ( 1.212 47.561 -3.283) 47.690 27.918 ( -2.771 12.329 0.436) 12.644 29.242 ( -4.608 -11.619 0.381) 12.505 32.514 ( 1.154 -56.059 -3.060) 56.154 95.395 ( 2.544 16.790 -8.603) 19.036 97.004 ( 2.398 -18.531 3.692) 19.047 ======================= Grid point 629 (323/504) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 1.138 15.193 -3.411) 15.613 2.809 ( -0.276 17.623 5.179) 18.370 3.147 ( -0.195 -12.202 -16.121) 20.219 3.237 ( 0.340 7.359 -4.135) 8.448 4.154 ( 2.350 1.545 -2.706) 3.903 4.262 ( -1.607 7.531 -8.802) 11.695 4.563 ( -1.907 4.720 -0.269) 5.098 4.721 ( 0.562 -9.182 -0.630) 9.221 5.413 ( 0.489 1.723 0.047) 1.791 5.728 ( -0.185 -3.161 -3.432) 4.669 8.981 ( -0.399 11.776 9.109) 14.894 9.585 ( -0.187 -7.801 5.385) 9.481 27.883 ( -0.193 53.872 -3.174) 53.966 28.146 ( 0.056 13.826 0.480) 13.834 28.963 ( 0.228 -13.246 0.486) 13.257 31.357 ( -0.004 -61.098 -3.228) 61.183 95.684 ( 0.128 16.369 -5.738) 17.346 96.677 ( 0.011 -18.622 0.981) 18.648 ======================= Grid point 630 (324/504) ======================= q-point: ( 0.07 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.173 11.634 0.301) 11.639 2.906 ( 5.608 13.693 2.355) 14.983 3.017 ( -1.043 -7.912 -10.773) 13.407 3.291 ( 7.695 5.863 -5.042) 10.910 4.133 ( -0.906 7.187 -10.321) 12.609 4.248 ( 4.943 1.616 -0.594) 5.234 4.538 ( 1.219 0.703 -4.134) 4.367 4.787 ( 7.632 -10.861 -2.715) 13.549 5.413 ( -1.598 3.771 2.502) 4.800 5.678 ( -3.615 -0.635 -1.122) 3.838 8.994 ( -5.123 10.856 8.914) 14.952 9.549 ( -6.965 -6.819 3.630) 10.401 27.852 ( -0.924 53.589 -2.567) 53.659 28.180 ( 3.378 14.339 0.398) 14.737 29.014 ( 4.947 -13.046 0.266) 13.955 31.331 ( -0.501 -60.925 -2.875) 60.995 95.637 ( -1.177 17.292 -4.660) 17.947 96.669 ( -1.468 -18.920 0.675) 18.988 ======================= Grid point 631 (325/504) ======================= q-point: ( 0.14 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 2.638 7.785 3.822) 9.064 2.868 ( -1.491 -6.825 -9.721) 11.971 3.109 ( 8.001 11.051 2.339) 13.842 3.420 ( 9.534 3.450 -4.048) 10.917 4.063 ( 1.155 7.045 -7.918) 10.661 4.313 ( 1.499 4.186 -3.323) 5.551 4.591 ( 9.737 -4.063 -5.072) 11.707 4.950 ( 12.217 -12.515 -2.678) 17.693 5.389 ( -3.728 4.404 4.395) 7.254 5.584 ( -6.139 0.743 -0.436) 6.199 8.921 ( -9.212 9.449 7.532) 15.195 9.397 ( -11.872 -5.416 2.568) 13.299 27.819 ( -0.984 53.662 -1.717) 53.698 28.269 ( 6.016 15.133 0.274) 16.287 29.136 ( 8.264 -12.794 -0.016) 15.231 31.301 ( -0.827 -60.364 -2.275) 60.412 95.582 ( -1.765 18.182 -3.297) 18.563 96.636 ( -2.472 -18.537 0.499) 18.708 ======================= Grid point 632 (326/504) ======================= q-point: ( 0.21 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 5.875 3.777 5.736) 9.037 2.797 ( 0.108 -5.474 -6.751) 8.692 3.231 ( 4.489 8.501 -0.775) 9.644 3.554 ( 6.617 -0.831 -1.603) 6.859 4.085 ( 5.748 6.465 -3.366) 9.283 4.275 ( 0.068 4.060 -6.990) 8.084 4.793 ( 14.207 -3.613 -3.353) 15.038 5.173 ( 12.838 -11.493 -0.754) 17.247 5.344 ( -3.963 2.115 4.162) 6.124 5.459 ( -6.873 0.527 -0.476) 6.909 8.772 ( -11.974 8.176 5.172) 15.393 9.173 ( -14.363 -4.128 1.865) 15.060 27.795 ( -0.644 54.097 -0.915) 54.108 28.394 ( 7.505 16.214 0.144) 17.867 29.300 ( 9.735 -12.675 -0.211) 15.983 31.272 ( -0.933 -59.574 -1.538) 59.601 95.532 ( -1.698 18.832 -2.040) 19.018 96.590 ( -2.873 -17.688 0.359) 17.924 ======================= Grid point 633 (327/504) ======================= q-point: ( 0.29 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 8.339 0.679 5.937) 10.259 2.780 ( 2.063 -3.028 -3.487) 5.058 3.268 ( 1.778 5.462 -3.135) 6.544 3.605 ( -0.746 -5.177 -0.139) 5.233 4.204 ( 8.017 5.591 -1.112) 9.837 4.265 ( 4.016 5.171 -4.168) 7.762 5.003 ( 9.738 -0.816 -2.819) 10.170 5.249 ( -4.960 -0.388 3.799) 6.260 5.336 ( -2.631 -2.036 0.020) 3.327 5.469 ( 13.032 -11.799 -0.398) 17.584 8.572 ( -12.907 7.408 2.508) 15.092 8.920 ( -14.536 -3.266 1.092) 14.938 27.783 ( -0.188 54.738 -0.301) 54.739 28.532 ( 7.529 17.447 0.039) 19.002 29.473 ( 9.339 -12.671 -0.315) 15.744 31.248 ( -0.772 -58.758 -0.804) 58.769 95.494 ( -1.207 19.194 -1.098) 19.263 96.541 ( -2.737 -16.591 0.203) 16.816 ======================= Grid point 634 (328/504) ======================= q-point: ( 0.36 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 2.222 1.202 0.901) 2.682 2.894 ( 10.632 -2.107 2.462) 11.115 3.272 ( 1.074 2.926 -2.248) 3.843 3.538 ( -5.387 -6.290 -0.727) 8.314 4.313 ( 5.497 5.816 -0.665) 8.030 4.371 ( 7.036 4.740 0.428) 8.494 5.056 ( -1.092 0.281 -0.810) 1.388 5.157 ( -5.917 -2.731 0.924) 6.582 5.392 ( 7.096 -4.134 0.853) 8.257 5.711 ( 12.771 -13.517 0.313) 18.598 8.354 ( -11.956 7.171 0.240) 13.943 8.677 ( -12.626 -2.897 0.267) 12.957 27.783 ( 0.229 55.412 0.071) 55.413 28.657 ( 6.030 18.586 -0.009) 19.539 29.623 ( 7.295 -12.717 -0.390) 14.666 31.234 ( -0.300 -58.088 -0.207) 58.089 95.474 ( -0.500 19.313 -0.514) 19.326 96.497 ( -2.199 -15.446 0.047) 15.601 ======================= Grid point 635 (329/504) ======================= q-point: ( 0.43 0.38 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 2.072 4.834 1.670) 5.518 3.077 ( 7.165 -2.092 -1.546) 7.623 3.283 ( 0.438 1.164 1.507) 1.954 3.446 ( -2.494 -4.953 -0.148) 5.547 4.402 ( 3.803 6.005 1.410) 7.246 4.482 ( 5.345 3.798 -0.504) 6.576 5.021 ( -1.969 -2.555 0.761) 3.314 5.076 ( -3.116 -4.198 0.304) 5.237 5.521 ( 5.298 -3.616 1.056) 6.500 5.918 ( 9.658 -15.317 0.261) 18.109 8.157 ( -9.280 7.302 -1.092) 11.859 8.480 ( -8.965 -2.997 -0.107) 9.453 27.791 ( 0.561 55.961 0.195) 55.964 28.742 ( 3.253 19.363 0.019) 19.634 29.723 ( 4.020 -12.778 -0.477) 13.404 31.235 ( 0.458 -57.642 0.129) 57.644 95.469 ( 0.319 19.246 -0.255) 19.250 96.464 ( -1.413 -14.424 -0.053) 14.493 ======================= Grid point 636 (330/504) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.892 8.338 0.227) 8.389 3.087 ( -3.214 0.129 -1.247) 3.450 3.291 ( -0.416 0.407 1.214) 1.347 3.505 ( 6.849 -4.061 1.336) 8.074 4.461 ( 2.082 6.075 0.279) 6.427 4.565 ( 4.714 2.404 -1.349) 5.461 5.006 ( -0.281 -3.512 1.355) 3.775 5.054 ( 0.024 -3.764 0.846) 3.857 5.577 ( -0.312 -3.188 1.461) 3.520 6.054 ( 5.490 -18.057 -0.842) 18.892 8.018 ( -4.953 7.577 -1.008) 9.108 8.362 ( -4.088 -3.461 0.509) 5.381 27.805 ( 0.822 56.255 0.085) 56.261 28.770 ( -0.242 19.568 0.116) 19.570 29.757 ( 0.089 -12.845 -0.556) 12.858 31.252 ( 1.322 -57.427 0.110) 57.442 95.481 ( 1.242 19.019 -0.298) 19.062 96.446 ( -0.511 -13.649 -0.039) 13.659 ======================= Grid point 637 (331/504) ======================= q-point: (-0.43 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -4.982 9.629 -5.044) 11.958 3.050 ( -1.096 5.468 5.479) 7.817 3.292 ( -0.308 0.095 0.691) 0.763 3.633 ( 6.649 -4.457 -1.654) 8.174 4.483 ( 0.988 6.332 -1.866) 6.675 4.624 ( 1.941 1.964 -0.566) 2.819 5.044 ( 3.864 -1.483 1.245) 4.322 5.075 ( 1.485 -2.630 0.186) 3.026 5.527 ( -6.369 -2.982 1.798) 7.259 6.097 ( 0.718 -21.140 -3.450) 21.432 7.977 ( 0.778 7.697 0.647) 7.764 8.346 ( 1.336 -4.022 2.379) 4.860 27.821 ( 1.061 56.214 -0.227) 56.224 28.735 ( -3.692 19.149 0.246) 19.503 29.719 ( -3.844 -12.899 -0.583) 13.472 31.282 ( 2.009 -57.467 -0.279) 57.503 95.510 ( 2.281 18.615 -0.670) 18.766 96.446 ( 0.411 -13.199 0.139) 13.206 ======================= Grid point 638 (332/504) ======================= q-point: (-0.36 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -7.274 12.742 -5.690) 15.737 3.097 ( 0.651 8.486 6.994) 11.016 3.288 ( -0.149 -0.705 -0.956) 1.197 3.713 ( 4.790 -5.012 -5.176) 8.652 4.468 ( -0.930 8.072 -3.003) 8.662 4.616 ( -2.967 3.958 1.651) 5.215 5.093 ( 0.043 0.129 -0.933) 0.943 5.151 ( 6.489 -0.687 -0.494) 6.544 5.391 ( -8.929 -3.581 2.305) 9.892 6.032 ( -3.335 -23.486 -7.822) 24.978 8.060 ( 6.819 7.558 3.202) 10.671 8.444 ( 6.508 -4.399 5.234) 9.440 27.840 ( 1.323 55.825 -0.706) 55.845 28.645 ( -6.369 18.231 0.359) 19.315 29.614 ( -7.154 -12.904 -0.530) 14.764 31.318 ( 2.311 -57.817 -0.949) 57.871 95.554 ( 3.354 17.994 -1.447) 18.361 96.463 ( 1.291 -13.140 0.507) 13.213 ======================= Grid point 639 (333/504) ======================= q-point: (-0.29 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -6.038 16.864 -5.291) 18.677 3.149 ( -0.773 9.882 6.770) 12.003 3.271 ( 0.386 -2.743 -4.662) 5.423 3.734 ( 2.449 -5.172 -7.566) 9.487 4.411 ( -3.379 12.267 -1.288) 12.789 4.551 ( -4.973 6.663 0.319) 8.320 5.008 ( -9.902 1.875 0.217) 10.080 5.210 ( 0.520 -1.302 -0.087) 1.405 5.329 ( 0.472 -4.345 2.044) 4.824 5.886 ( -3.538 -23.669 -14.002) 27.727 8.253 ( 10.772 7.735 5.188) 14.240 8.649 ( 10.844 -4.779 8.314) 14.477 27.859 ( 1.609 55.177 -1.317) 55.216 28.518 ( -7.773 17.029 0.428) 18.724 29.461 ( -9.291 -12.851 -0.397) 15.863 31.350 ( 2.208 -58.472 -1.733) 58.539 95.608 ( 4.178 17.167 -2.674) 17.869 96.499 ( 2.056 -13.560 1.022) 13.753 ======================= Grid point 640 (334/504) ======================= q-point: (-0.21 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -3.039 19.809 -4.728) 20.591 3.136 ( -5.943 13.880 5.124) 15.945 3.244 ( 2.251 -7.842 -8.968) 12.124 3.689 ( -1.609 -4.574 -8.287) 9.601 4.338 ( -4.032 15.675 -1.481) 16.253 4.451 ( -5.006 9.681 -0.200) 10.901 4.803 ( -11.847 1.061 1.682) 12.012 5.190 ( -4.867 -3.923 0.703) 6.291 5.340 ( -1.280 -5.251 3.375) 6.373 5.757 ( 2.955 -18.343 -18.791) 26.425 8.493 ( 10.902 8.878 6.234) 15.379 8.936 ( 13.344 -5.699 10.178) 17.724 27.879 ( 1.816 54.495 -2.018) 54.562 28.380 ( -7.685 15.761 0.456) 17.540 29.284 ( -9.785 -12.798 -0.173) 16.111 31.372 ( 1.806 -59.322 -2.460) 59.401 95.662 ( 4.310 16.298 -4.187) 17.371 96.550 ( 2.542 -14.549 1.494) 14.844 ======================= Grid point 641 (335/504) ======================= q-point: (-0.14 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 0.535 20.554 -4.310) 21.008 3.015 ( -9.568 15.316 2.472) 18.227 3.224 ( 2.830 -8.640 -10.652) 14.005 3.557 ( -6.333 -2.132 -8.542) 10.845 4.236 ( -3.911 10.969 -4.681) 12.551 4.400 ( -1.833 11.679 0.618) 11.838 4.638 ( -7.651 4.533 3.094) 9.416 5.021 ( -12.303 -10.939 -0.237) 16.465 5.362 ( 1.603 -2.286 1.048) 2.983 5.728 ( 5.816 -11.119 -14.703) 19.330 8.716 ( 8.278 10.529 7.276) 15.242 9.242 ( 12.066 -6.988 9.715) 16.995 27.895 ( 1.693 54.100 -2.722) 54.194 28.256 ( -6.136 14.620 0.469) 15.862 29.118 ( -8.268 -12.885 0.142) 15.310 31.380 ( 1.235 -60.177 -3.001) 60.265 95.700 ( 3.468 15.729 -5.511) 17.023 96.607 ( 2.438 -16.024 1.644) 16.291 ======================= Grid point 642 (336/504) ======================= q-point: (-0.07 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.829 18.798 -4.335) 19.498 2.864 ( -8.272 16.762 3.433) 19.005 3.198 ( 3.220 -7.768 -12.319) 14.915 3.368 ( -7.176 0.735 -8.391) 11.065 4.162 ( -1.152 4.508 -2.969) 5.519 4.348 ( -1.568 8.464 -7.054) 11.129 4.583 ( -2.616 9.634 5.388) 11.344 4.808 ( -9.141 -12.097 -1.530) 15.239 5.395 ( 1.765 -0.425 -0.669) 1.934 5.737 ( 3.432 -6.567 -8.131) 11.001 8.885 ( 4.277 11.688 8.396) 15.013 9.478 ( 6.912 -7.872 7.682) 12.991 27.899 ( 0.949 54.061 -3.213) 54.164 28.173 ( -3.375 13.854 0.491) 14.268 29.001 ( -4.682 -13.135 0.434) 13.951 31.375 ( 0.602 -60.826 -3.272) 60.917 95.708 ( 1.872 15.753 -6.096) 16.995 96.654 ( 1.513 -17.567 1.390) 17.686 ======================= Grid point 643 (337/504) ======================= q-point: ( 0.00 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.525 14.176 -10.558) 17.683 2.901 ( 0.053 -13.062 -14.606) 19.594 3.104 ( 0.242 12.420 2.737) 12.720 3.271 ( 0.272 -4.026 -0.624) 4.083 4.244 ( 0.925 8.123 -2.349) 8.506 4.438 ( -2.881 -3.718 -6.050) 7.663 4.450 ( 1.485 2.694 -9.120) 9.625 4.615 ( 0.143 -6.235 -9.274) 11.176 5.504 ( 0.098 6.780 5.463) 8.708 5.636 ( -0.079 -6.149 3.285) 6.972 9.206 ( -0.361 11.258 7.911) 13.764 9.412 ( -0.290 -9.904 6.859) 12.051 28.416 ( -0.021 14.399 0.507) 14.408 28.694 ( -0.101 -13.882 0.517) 13.892 28.987 ( 0.231 58.754 -3.253) 58.845 30.161 ( 0.009 -61.761 -3.291) 61.848 96.001 ( 0.109 16.500 -3.412) 16.849 96.328 ( 0.065 -17.385 -1.157) 17.424 ======================= Grid point 644 (338/504) ======================= q-point: ( 0.07 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -0.365 11.551 -7.266) 13.651 2.791 ( -1.389 -11.173 -11.578) 16.150 3.184 ( 5.921 10.853 2.101) 12.540 3.325 ( 5.627 -3.002 -1.281) 6.505 4.281 ( 2.864 7.609 -6.766) 10.577 4.345 ( 1.906 6.911 -6.810) 9.888 4.468 ( 3.416 -5.259 -6.806) 9.255 4.576 ( 4.988 -10.703 -8.283) 14.424 5.522 ( -2.832 6.441 6.473) 9.560 5.630 ( -3.529 -4.255 4.146) 6.909 9.202 ( -5.777 10.459 7.202) 13.951 9.393 ( -6.411 -9.113 5.589) 12.466 28.453 ( 3.717 14.706 0.473) 15.176 28.721 ( 2.556 -8.880 0.438) 9.251 28.982 ( 1.660 53.459 -2.872) 53.561 30.139 ( -0.099 -61.553 -2.924) 61.622 95.971 ( -0.920 17.295 -2.872) 17.556 96.312 ( -0.984 -17.961 -1.060) 18.019 ======================= Grid point 645 (339/504) ======================= q-point: ( 0.14 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 1.504 8.463 -3.607) 9.321 2.708 ( -0.003 -8.712 -8.066) 11.873 3.312 ( 6.128 8.827 1.038) 10.796 3.429 ( 6.258 -2.844 -1.368) 7.009 4.219 ( 0.846 8.501 -10.387) 13.448 4.348 ( 0.356 -2.729 -9.729) 10.111 4.551 ( 12.207 2.978 -2.954) 12.908 4.710 ( 12.347 -11.462 -2.755) 17.071 5.489 ( -5.672 5.107 6.050) 9.739 5.566 ( -6.535 -2.570 3.653) 7.915 9.103 ( -10.109 9.112 5.928) 14.844 9.268 ( -11.036 -7.767 4.383) 14.189 28.552 ( 6.666 15.469 0.476) 16.851 28.781 ( 3.497 8.538 0.092) 9.227 29.014 ( 4.104 35.405 -2.093) 35.703 30.118 ( -0.150 -61.060 -2.324) 61.104 95.931 ( -1.468 17.961 -2.111) 18.144 96.281 ( -1.643 -18.170 -0.805) 18.262 ======================= Grid point 646 (340/504) ======================= q-point: ( 0.21 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 4.285 4.976 -0.545) 6.589 2.684 ( 2.244 -5.815 -4.585) 7.738 3.391 ( 2.198 7.482 -1.089) 7.874 3.506 ( 2.731 -4.223 -1.285) 5.191 4.208 ( 4.621 5.917 -6.296) 9.798 4.294 ( 2.121 -2.238 -8.982) 9.497 4.795 ( 15.274 4.266 -1.451) 15.925 4.946 ( 14.677 -10.603 -1.095) 18.139 5.404 ( -7.674 3.150 4.770) 9.569 5.451 ( -8.407 -1.467 2.596) 8.920 8.930 ( -12.706 7.826 4.094) 15.474 9.069 ( -13.560 -6.426 3.060) 15.314 28.691 ( 8.047 17.576 0.670) 19.342 28.838 ( 3.002 32.849 -0.575) 32.991 29.103 ( 6.837 9.277 -1.121) 11.579 30.102 ( -0.190 -60.457 -1.602) 60.478 95.892 ( -1.515 18.366 -1.358) 18.479 96.244 ( -1.839 -18.027 -0.522) 18.128 ======================= Grid point 647 (341/504) ======================= q-point: ( 0.29 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 6.989 1.449 1.700) 7.338 2.724 ( 4.511 -2.527 -1.442) 5.368 3.383 ( -0.999 6.156 -2.776) 6.826 3.499 ( -2.106 -5.733 -1.777) 6.361 4.289 ( 6.942 3.100 -2.298) 7.943 4.318 ( 5.539 0.384 -4.159) 6.937 5.045 ( 11.863 5.078 -1.346) 12.975 5.182 ( 7.740 -7.697 -0.130) 10.917 5.302 ( -4.472 -0.158 3.213) 5.509 5.326 ( -3.827 -2.572 1.755) 4.934 8.713 ( -13.307 6.944 1.987) 15.141 8.834 ( -13.919 -5.427 1.537) 15.018 28.829 ( 5.110 33.663 1.500) 34.082 28.896 ( 5.415 33.068 -1.578) 33.546 29.232 ( 7.602 -6.481 -0.513) 10.003 30.089 ( -0.195 -60.019 -0.878) 60.025 95.860 ( -1.188 18.483 -0.769) 18.538 96.210 ( -1.640 -17.604 -0.308) 17.683 ======================= Grid point 648 (342/504) ======================= q-point: ( 0.36 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 5.894 1.654 1.183) 6.235 2.852 ( 9.085 -2.154 2.090) 9.568 3.338 ( -1.564 3.973 -2.124) 4.769 3.426 ( -4.002 -5.147 -1.563) 6.704 4.396 ( 5.929 2.881 -0.543) 6.614 4.422 ( 6.449 0.492 -0.014) 6.468 5.085 ( -4.956 1.964 -0.151) 5.333 5.116 ( -7.393 -1.507 0.695) 7.577 5.365 ( 8.904 2.020 1.186) 9.207 5.481 ( 11.389 -9.577 0.741) 14.899 8.489 ( -12.021 6.520 0.082) 13.676 8.601 ( -12.303 -4.886 0.089) 13.238 28.886 ( 1.606 55.521 0.781) 55.550 29.012 ( 6.981 18.721 -0.838) 19.998 29.357 ( 6.308 -13.134 -0.291) 14.573 30.083 ( -0.008 -59.988 -0.254) 59.989 95.839 ( -0.636 18.358 -0.398) 18.373 96.182 ( -1.167 -17.012 -0.193) 17.053 ======================= Grid point 649 (343/504) ======================= q-point: ( 0.43 0.46 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 5.801 5.003 0.989) 7.724 3.020 ( 7.388 -3.842 -0.169) 8.329 3.311 ( -0.753 1.900 0.994) 2.273 3.363 ( -1.619 -3.484 0.817) 3.928 4.490 ( 4.142 3.147 0.640) 5.241 4.522 ( 4.430 0.100 -0.037) 4.431 4.995 ( -4.072 -0.231 0.649) 4.130 5.012 ( -3.960 -2.099 0.697) 4.536 5.519 ( 6.382 3.685 0.754) 7.408 5.661 ( 7.684 -10.680 0.462) 13.165 8.293 ( -9.095 6.514 -1.037) 11.235 8.404 ( -9.016 -4.857 -0.702) 10.265 28.914 ( 1.140 59.228 0.341) 59.240 29.109 ( 3.882 18.332 -0.337) 18.741 29.446 ( 3.626 -15.581 -0.351) 16.001 30.088 ( 0.578 -60.237 0.157) 60.240 95.832 ( 0.040 18.056 -0.236) 18.058 96.166 ( -0.532 -16.365 -0.157) 16.374 ======================= Grid point 650 (344/504) ======================= q-point: (-0.50 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 3.027 5.338 -3.001) 6.831 3.077 ( 0.958 -1.547 -2.697) 3.254 3.326 ( 0.424 3.445 4.037) 5.324 3.415 ( 4.366 -5.086 4.511) 8.080 4.550 ( 2.435 3.119 -0.260) 3.966 4.584 ( 3.328 -0.435 -1.110) 3.535 4.968 ( 0.477 -0.314 1.345) 1.461 4.990 ( 0.524 -2.480 1.323) 2.859 5.589 ( 0.670 4.612 0.381) 4.676 5.755 ( 2.507 -12.349 -0.408) 12.608 8.159 ( -4.712 6.810 -0.788) 8.318 8.277 ( -4.409 -5.265 -0.265) 6.872 28.932 ( 0.713 59.321 -0.087) 59.325 29.141 ( -0.369 18.548 0.131) 18.552 29.478 ( 0.275 -15.695 -0.547) 15.707 30.107 ( 1.433 -60.196 0.200) 60.214 95.838 ( 0.797 17.630 -0.265) 17.650 96.161 ( 0.187 -15.750 -0.169) 15.752 ======================= Grid point 651 (345/504) ======================= q-point: (-0.43 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -1.867 6.725 -5.604) 8.950 3.080 ( 1.453 -2.772 -2.752) 4.167 3.372 ( 0.710 7.723 5.450) 9.479 3.524 ( 4.171 -6.969 2.659) 8.546 4.582 ( 1.935 3.887 -1.314) 4.537 4.632 ( 2.465 -1.151 -0.671) 2.802 5.026 ( 4.765 -0.117 0.950) 4.861 5.038 ( 3.893 -1.287 0.299) 4.111 5.545 ( -5.606 5.364 -0.220) 7.762 5.742 ( -3.013 -14.756 -2.165) 15.216 8.123 ( 0.818 7.192 1.027) 7.311 8.250 ( 1.070 -5.829 1.610) 6.142 28.937 ( 0.063 56.375 -0.652) 56.379 29.099 ( -4.403 18.711 0.645) 19.233 29.449 ( -2.948 -13.517 -0.701) 13.853 30.139 ( 1.995 -59.791 -0.206) 59.824 95.857 ( 1.610 17.102 -0.490) 17.184 96.170 ( 0.935 -15.229 -0.207) 15.259 ======================= Grid point 652 (346/504) ======================= q-point: (-0.36 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -2.642 10.919 -5.747) 12.619 3.079 ( 1.001 -7.157 -4.103) 8.311 3.417 ( 0.390 10.260 4.152) 11.075 3.593 ( 2.672 -7.548 -0.403) 8.017 4.601 ( 0.973 5.219 -0.795) 5.368 4.655 ( -0.184 -0.212 1.172) 1.205 5.119 ( 5.582 1.734 -2.081) 6.204 5.140 ( 6.973 -0.541 -1.231) 7.101 5.389 ( -10.991 5.134 -0.541) 12.142 5.620 ( -7.321 -17.857 -5.105) 19.963 8.207 ( 6.603 7.426 3.816) 10.645 8.340 ( 6.550 -6.195 4.442) 10.051 28.919 ( -1.725 45.284 -1.342) 45.337 29.002 ( -6.416 23.223 1.205) 24.123 29.368 ( -5.285 -7.718 -0.837) 9.392 30.172 ( 1.978 -59.611 -0.933) 59.651 95.888 ( 2.394 16.496 -0.936) 16.695 96.192 ( 1.643 -14.860 -0.264) 14.953 ======================= Grid point 653 (347/504) ======================= q-point: (-0.29 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -1.915 14.615 -6.396) 16.068 3.061 ( 0.907 -10.574 -5.883) 12.134 3.435 ( -1.002 10.906 1.605) 11.069 3.614 ( 0.777 -7.548 -3.072) 8.186 4.608 ( -0.356 6.671 1.280) 6.802 4.646 ( -1.580 2.316 0.986) 2.972 5.115 ( -11.473 10.111 -3.608) 15.713 5.206 ( 1.326 1.217 -1.077) 2.097 5.248 ( -0.063 -3.434 1.113) 3.611 5.446 ( -2.583 -20.668 -11.483) 23.785 8.404 ( 10.833 7.584 6.283) 14.640 8.540 ( 10.791 -6.390 7.237) 14.479 28.826 ( -7.622 19.567 -0.351) 21.002 28.922 ( -3.198 36.124 0.202) 36.266 29.256 ( -5.984 4.518 -1.187) 7.592 30.195 ( 1.570 -59.921 -1.765) 59.967 95.928 ( 2.958 15.892 -1.610) 16.245 96.225 ( 2.188 -14.736 -0.356) 14.902 ======================= Grid point 654 (348/504) ======================= q-point: (-0.21 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -0.222 16.888 -7.475) 18.469 3.034 ( 1.619 -12.628 -8.401) 15.253 3.392 ( -4.219 11.159 -0.580) 11.944 3.573 ( -2.447 -7.549 -4.376) 9.062 4.601 ( -2.257 8.403 -1.049) 8.764 4.615 ( -0.990 6.426 -0.545) 6.525 4.847 ( -13.888 5.497 -0.614) 14.949 5.046 ( -14.171 -11.169 -1.021) 18.073 5.302 ( 4.666 2.492 -1.354) 5.461 5.446 ( 7.829 -12.452 -10.507) 18.076 8.662 ( 11.819 8.330 7.621) 16.345 8.812 ( 12.540 -7.104 8.965) 16.973 28.677 ( -8.384 15.622 0.299) 17.732 28.861 ( -3.866 18.955 -0.103) 19.345 29.147 ( -4.652 25.243 -1.939) 25.741 30.203 ( 1.045 -60.535 -2.524) 60.597 95.969 ( 3.037 15.462 -2.422) 15.942 96.264 ( 2.392 -14.981 -0.521) 15.179 ======================= Grid point 655 (349/504) ======================= q-point: (-0.14 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 1.823 17.447 -8.950) 19.693 3.005 ( 2.774 -13.458 -11.325) 17.807 3.281 ( -7.192 11.831 -0.747) 13.866 3.468 ( -5.786 -7.265 -3.855) 10.056 4.473 ( -7.994 12.992 -6.325) 16.513 4.579 ( -2.544 6.010 -3.291) 7.309 4.691 ( -2.913 -0.170 -0.211) 2.925 4.784 ( -12.544 -12.294 -2.039) 17.681 5.378 ( 4.060 4.416 0.269) 6.005 5.522 ( 6.191 -9.723 -4.951) 12.545 8.914 ( 9.596 9.782 8.139) 15.937 9.091 ( 10.833 -8.496 9.115) 16.511 28.540 ( -6.776 14.767 0.476) 16.254 28.785 ( -4.402 -1.093 0.227) 4.542 29.067 ( -2.485 45.870 -2.793) 46.022 30.198 ( 0.573 -61.173 -3.080) 61.253 96.000 ( 2.470 15.405 -3.148) 15.916 96.300 ( 2.075 -15.633 -0.772) 15.789 ======================= Grid point 656 (350/504) ======================= q-point: (-0.07 0.46 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 2.687 16.387 -10.708) 19.759 2.972 ( 3.046 -13.590 -14.220) 19.904 3.151 ( -6.401 12.504 1.234) 14.101 3.335 ( -5.822 -5.877 -1.819) 8.470 4.306 ( -5.453 10.316 -3.693) 12.239 4.496 ( -1.734 0.124 -7.383) 7.585 4.579 ( -6.665 -3.741 -5.494) 9.413 4.664 ( -0.336 -2.855 -4.209) 5.097 5.449 ( 2.517 5.953 3.031) 7.139 5.593 ( 3.300 -7.976 0.266) 8.636 9.106 ( 5.155 11.015 8.199) 14.667 9.307 ( 6.038 -9.679 8.168) 14.031 28.447 ( -3.772 14.424 0.521) 14.918 28.718 ( -2.915 -11.561 0.457) 11.931 29.016 ( -0.923 56.496 -3.251) 56.597 30.183 ( 0.224 -61.622 -3.349) 61.714 96.012 ( 1.373 15.793 -3.524) 16.239 96.324 ( 1.216 -16.533 -1.035) 16.610 ======================= Grid point 741 (351/504) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.468 0.000 7.193) 7.209 2.082 ( 0.284 0.000 18.401) 18.404 2.159 ( 1.155 0.000 -2.453) 2.712 3.127 ( -0.130 0.000 -11.951) 11.951 3.252 ( 1.707 0.000 28.162) 28.214 4.387 ( -2.676 0.000 -1.668) 3.153 4.495 ( 2.231 0.000 -10.876) 11.103 4.934 ( -0.046 0.000 1.292) 1.293 5.346 ( -0.639 0.000 0.401) 0.754 6.683 ( -0.609 0.000 -9.376) 9.396 8.616 ( -0.434 0.000 9.669) 9.679 8.955 ( 0.033 0.000 -7.292) 7.292 24.748 ( 0.015 0.000 0.968) 0.969 27.388 ( -0.038 0.000 0.131) 0.136 29.694 ( -0.117 0.000 0.318) 0.339 34.967 ( 0.068 0.000 -2.130) 2.131 94.128 ( -0.046 0.000 0.039) 0.060 98.250 ( -0.030 0.000 -0.536) 0.537 ======================= Grid point 742 (352/504) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 23.186 0.000 3.132) 23.397 2.249 ( 5.668 0.000 13.401) 14.550 2.366 ( 21.506 0.000 -1.854) 21.586 3.056 ( 0.857 0.000 -9.787) 9.824 3.470 ( 3.860 0.000 19.847) 20.218 4.093 ( -16.190 0.000 -6.300) 17.372 4.689 ( 14.841 0.000 -4.812) 15.602 4.924 ( -1.801 0.000 0.881) 2.005 5.402 ( 6.352 0.000 2.053) 6.675 6.592 ( -3.335 0.000 -7.112) 7.856 8.659 ( -2.117 0.000 9.183) 9.424 8.878 ( -2.939 0.000 -7.151) 7.731 24.749 ( -0.489 0.000 0.620) 0.789 27.395 ( 0.719 0.000 0.118) 0.729 29.730 ( 3.795 0.000 0.101) 3.796 34.930 ( -2.734 0.000 -1.403) 3.072 94.126 ( -0.172 0.000 0.068) 0.185 98.179 ( -7.226 0.000 0.175) 7.228 ======================= Grid point 743 (353/504) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 29.612 0.000 0.659) 29.619 2.456 ( 9.325 0.000 6.290) 11.248 2.788 ( 22.656 0.000 -1.221) 22.689 3.029 ( 1.963 0.000 -5.054) 5.421 3.686 ( 7.257 0.000 11.495) 13.594 3.781 ( -10.336 0.000 -7.700) 12.888 4.882 ( -2.993 0.000 0.628) 3.058 4.914 ( 12.237 0.000 -2.366) 12.464 5.598 ( 12.821 0.000 2.595) 13.081 6.472 ( -5.488 0.000 -3.175) 6.340 8.662 ( -4.573 0.000 8.139) 9.336 8.758 ( -4.515 0.000 -6.745) 8.116 24.739 ( -0.933 0.000 0.232) 0.962 27.415 ( 1.305 0.000 0.103) 1.309 29.824 ( 6.274 0.000 0.047) 6.275 34.853 ( -4.804 0.000 -0.653) 4.848 94.123 ( -0.202 0.000 0.096) 0.224 98.009 ( -11.461 0.000 0.543) 11.474 ======================= Grid point 744 (354/504) ======================= q-point: ( 0.21 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 27.650 0.000 0.468) 27.654 2.657 ( 10.958 0.000 -1.945) 11.130 3.060 ( 3.096 0.000 0.973) 3.245 3.064 ( 9.912 0.000 -4.827) 11.025 3.515 ( -12.814 0.000 3.400) 13.257 4.041 ( 22.923 0.000 -2.107) 23.019 4.825 ( -2.731 0.000 -0.089) 2.732 5.105 ( 9.291 0.000 0.879) 9.332 5.858 ( 15.776 0.000 -5.557) 16.726 6.390 ( -3.844 0.000 7.880) 8.767 8.561 ( -9.246 0.000 -0.703) 9.273 8.668 ( -3.494 0.000 0.921) 3.613 24.719 ( -1.227 0.000 -0.105) 1.231 27.442 ( 1.607 0.000 0.091) 1.609 29.949 ( 7.189 0.000 0.391) 7.200 34.753 ( -5.827 0.000 -0.096) 5.828 94.121 ( -0.128 0.000 0.131) 0.183 97.789 ( -12.729 0.000 -0.060) 12.729 ======================= Grid point 745 (355/504) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 10.503 0.000 -7.254) 12.765 2.895 ( 20.068 0.000 -0.669) 20.079 3.136 ( 5.870 0.000 -5.885) 8.312 3.150 ( 4.258 0.000 2.239) 4.811 3.353 ( -10.117 0.000 9.091) 13.602 4.372 ( 12.084 0.000 -3.830) 12.676 4.830 ( 6.224 0.000 -2.501) 6.707 5.261 ( 6.386 0.000 3.644) 7.353 6.059 ( 15.218 0.000 -15.111) 21.446 6.485 ( 3.254 0.000 20.049) 20.311 8.360 ( -11.343 0.000 -2.951) 11.721 8.605 ( -4.721 0.000 1.570) 4.975 24.695 ( -1.309 0.000 -0.316) 1.347 27.472 ( 1.577 0.000 0.083) 1.579 30.080 ( 6.709 0.000 0.800) 6.757 34.649 ( -5.645 0.000 0.220) 5.649 94.121 ( -0.012 0.000 0.170) 0.171 97.563 ( -11.575 0.000 -0.920) 11.612 ======================= Grid point 746 (356/504) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 8.590 0.000 -7.146) 11.174 3.050 ( -0.142 0.000 -3.502) 3.505 3.241 ( 2.637 0.000 5.464) 6.067 3.276 ( 2.295 0.000 -1.273) 2.625 3.311 ( 8.797 0.000 5.140) 10.188 4.418 ( -1.647 0.000 -1.676) 2.350 4.980 ( 10.964 0.000 -7.237) 13.137 5.389 ( 4.496 0.000 5.028) 6.745 6.242 ( 13.949 0.000 -7.726) 15.945 6.736 ( 9.928 0.000 15.673) 18.553 8.117 ( -12.994 0.000 -3.667) 13.501 8.522 ( -5.113 0.000 0.648) 5.154 24.670 ( -1.165 0.000 -0.364) 1.220 27.498 ( 1.234 0.000 0.080) 1.236 30.195 ( 5.205 0.000 0.930) 5.288 34.560 ( -4.308 0.000 0.311) 4.319 94.123 ( 0.075 0.000 0.193) 0.208 97.370 ( -8.868 0.000 -1.267) 8.958 ======================= Grid point 747 (357/504) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -11.304 0.000 8.343) 14.049 3.026 ( 4.390 0.000 -3.875) 5.856 3.304 ( 1.578 0.000 2.476) 2.936 3.335 ( 9.320 0.000 -9.856) 13.565 3.502 ( 7.202 0.000 2.810) 7.731 4.366 ( -2.276 0.000 -0.610) 2.356 5.071 ( 4.235 0.000 -6.861) 8.063 5.491 ( 2.979 0.000 4.907) 5.741 6.413 ( 5.898 0.000 1.727) 6.146 7.045 ( 15.130 0.000 7.165) 16.741 7.854 ( -12.292 0.000 -4.745) 13.176 8.439 ( -4.083 0.000 0.305) 4.094 24.649 ( -0.823 0.000 -0.248) 0.860 27.516 ( 0.649 0.000 0.088) 0.655 30.276 ( 3.116 0.000 0.681) 3.189 34.503 ( -2.094 0.000 0.188) 2.103 94.126 ( 0.097 0.000 0.176) 0.201 97.232 ( -5.467 0.000 -0.839) 5.531 ======================= Grid point 748 (358/504) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -15.925 0.000 13.483) 20.866 3.019 ( -4.464 0.000 0.307) 4.475 3.348 ( 2.950 0.000 -0.351) 2.971 3.457 ( 12.224 0.000 -12.901) 17.772 3.613 ( 4.357 0.000 0.138) 4.359 4.340 ( -0.329 0.000 -0.275) 0.429 5.031 ( -4.994 0.000 -2.836) 5.743 5.562 ( 1.491 0.000 3.488) 3.793 6.444 ( -5.989 0.000 6.035) 8.502 7.332 ( 9.474 0.000 3.024) 9.945 7.659 ( -1.322 0.000 -7.230) 7.350 8.392 ( -1.311 0.000 0.946) 1.616 24.638 ( -0.354 0.000 -0.004) 0.354 27.522 ( -0.063 0.000 0.105) 0.123 30.314 ( 0.796 0.000 0.111) 0.804 34.489 ( 0.556 0.000 -0.128) 0.570 94.128 ( 0.058 0.000 0.112) 0.126 97.164 ( -1.898 0.000 0.304) 1.922 ======================= Grid point 749 (359/504) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -17.705 0.000 17.045) 24.576 2.876 ( -12.321 0.000 3.813) 12.897 3.402 ( 3.518 0.000 -1.971) 4.032 3.557 ( 5.998 0.000 -10.159) 11.797 3.684 ( 7.395 0.000 -7.777) 10.732 4.334 ( -1.319 0.000 0.805) 1.545 4.870 ( -11.425 0.000 2.191) 11.633 5.587 ( -0.508 0.000 0.970) 1.095 6.275 ( -17.401 0.000 6.711) 18.650 7.341 ( -3.977 0.000 -1.692) 4.322 7.789 ( 15.302 0.000 -5.668) 16.318 8.414 ( 2.807 0.000 1.985) 3.438 24.637 ( 0.148 0.000 0.318) 0.351 27.515 ( -0.767 0.000 0.127) 0.778 30.306 ( -1.540 0.000 -0.704) 1.693 34.520 ( 3.143 0.000 -0.569) 3.194 94.129 ( -0.009 0.000 0.019) 0.021 97.170 ( 1.699 0.000 2.040) 2.655 ======================= Grid point 750 (360/504) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -16.945 0.000 20.978) 26.967 2.650 ( -16.451 0.000 7.309) 18.002 3.433 ( 1.430 0.000 -3.919) 4.172 3.484 ( -7.473 0.000 -7.337) 10.472 3.776 ( 11.024 0.000 -15.523) 19.039 4.264 ( -10.005 0.000 6.452) 11.905 4.722 ( -5.402 0.000 3.537) 6.457 5.556 ( -2.556 0.000 -1.835) 3.146 5.938 ( -24.081 0.000 7.263) 25.152 7.263 ( -1.627 0.000 -6.113) 6.326 8.011 ( 11.657 0.000 -2.316) 11.885 8.519 ( 7.165 0.000 1.563) 7.333 24.647 ( 0.582 0.000 0.661) 0.881 27.497 ( -1.331 0.000 0.144) 1.339 30.249 ( -3.806 0.000 -1.678) 4.160 34.591 ( 5.219 0.000 -1.031) 5.320 94.128 ( -0.062 0.000 -0.065) 0.090 97.255 ( 5.452 0.000 4.173) 6.866 ======================= Grid point 751 (361/504) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -13.711 0.000 24.728) 28.275 2.402 ( -17.888 0.000 11.467) 21.248 3.140 ( -23.135 0.000 -5.912) 23.878 3.434 ( 0.955 0.000 -6.159) 6.233 3.848 ( 8.276 0.000 -15.134) 17.249 4.077 ( -16.288 0.000 8.957) 18.588 4.719 ( 1.835 0.000 1.838) 2.597 5.444 ( -10.604 0.000 -3.048) 11.034 5.594 ( -15.762 0.000 8.633) 17.971 7.182 ( -1.078 0.000 -11.519) 11.570 8.179 ( 7.184 0.000 2.632) 7.651 8.676 ( 9.310 0.000 -0.730) 9.338 24.666 ( 0.865 0.000 0.969) 1.299 27.471 ( -1.652 0.000 0.146) 1.658 30.146 ( -5.932 0.000 -2.544) 6.455 34.689 ( 6.454 0.000 -1.451) 6.616 94.126 ( -0.062 0.000 -0.100) 0.118 97.425 ( 9.468 0.000 6.080) 11.252 ======================= Grid point 752 (362/504) ======================= q-point: (-0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -16.543 0.000 15.466) 22.647 2.214 ( -14.592 0.000 22.511) 26.826 2.645 ( -25.985 0.000 3.397) 26.206 3.390 ( -0.067 0.000 -8.757) 8.757 3.685 ( -25.004 0.000 5.154) 25.530 3.962 ( 7.174 0.000 -11.021) 13.150 4.783 ( 3.490 0.000 1.441) 3.776 5.190 ( -14.002 0.000 2.981) 14.315 5.483 ( -4.629 0.000 3.638) 5.887 7.056 ( -2.241 0.000 -16.004) 16.160 8.316 ( 4.627 0.000 6.669) 8.117 8.826 ( 8.556 0.000 -3.285) 9.165 24.690 ( 0.944 0.000 1.189) 1.518 27.441 ( -1.674 0.000 0.133) 1.679 30.005 ( -7.500 0.000 -2.690) 7.968 34.797 ( 6.603 0.000 -1.869) 6.862 94.125 ( 0.007 0.000 -0.074) 0.075 97.674 ( 12.996 0.000 6.368) 14.473 ======================= Grid point 753 (363/504) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -32.460 0.000 6.046) 33.018 2.036 ( -12.662 0.000 18.929) 22.774 2.471 ( -8.017 0.000 18.912) 20.541 3.226 ( -27.208 0.000 11.599) 29.577 3.315 ( -0.760 0.000 -11.040) 11.066 4.057 ( 10.910 0.000 -9.602) 14.534 4.853 ( 3.000 0.000 1.429) 3.323 4.982 ( -11.367 0.000 0.024) 11.367 5.439 ( -3.509 0.000 3.457) 4.926 6.895 ( -2.393 0.000 -16.507) 16.679 8.438 ( 2.927 0.000 8.850) 9.322 8.930 ( 6.274 0.000 -5.429) 8.297 24.715 ( 0.807 0.000 1.275) 1.509 27.414 ( -1.382 0.000 0.123) 1.387 29.852 ( -7.345 0.000 -1.638) 7.525 34.893 ( 5.455 0.000 -2.299) 5.919 94.126 ( 0.089 0.000 -0.024) 0.092 97.957 ( 13.418 0.000 3.918) 13.978 ======================= Grid point 754 (364/504) ======================= q-point: (-0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -25.399 0.000 7.271) 26.420 2.000 ( -6.436 0.000 20.318) 21.313 2.328 ( -15.350 0.000 1.695) 15.444 3.063 ( -5.968 0.000 28.940) 29.549 3.221 ( -0.642 0.000 -12.318) 12.335 4.219 ( 13.190 0.000 -6.772) 14.827 4.748 ( -12.669 0.000 -5.205) 13.696 4.909 ( 1.630 0.000 1.534) 2.238 5.389 ( -3.886 0.000 1.649) 4.221 6.765 ( -0.556 0.000 -12.918) 12.930 8.541 ( 1.267 0.000 9.658) 9.741 8.974 ( 3.299 0.000 -6.824) 7.580 24.735 ( 0.477 0.000 1.201) 1.292 27.395 ( -0.799 0.000 0.128) 0.810 29.735 ( -4.509 0.000 -0.197) 4.513 34.955 ( 3.066 0.000 -2.480) 3.943 94.127 ( 0.077 0.000 0.012) 0.078 98.175 ( 8.315 0.000 0.572) 8.334 ======================= Grid point 755 (365/504) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.205 15.431 6.729) 16.836 2.107 ( 0.895 2.084 20.686) 20.810 2.223 ( 0.994 6.390 -2.731) 7.020 3.132 ( -0.053 1.346 -12.008) 12.084 3.383 ( 0.939 12.272 23.128) 26.199 4.375 ( -1.666 -1.299 -1.547) 2.618 4.493 ( 1.417 -0.591 -6.314) 6.498 5.002 ( -0.134 6.807 -1.235) 6.919 5.319 ( -0.596 -2.846 0.355) 2.929 6.363 ( -0.454 -28.065 -10.162) 29.851 8.644 ( -0.384 2.399 13.133) 13.356 9.152 ( -0.043 16.824 -10.321) 19.738 24.905 ( 0.014 15.924 0.349) 15.928 27.423 ( -0.045 3.578 0.143) 3.581 29.662 ( -0.094 -3.300 0.316) 3.317 34.789 ( 0.062 -18.248 -2.050) 18.363 94.240 ( -0.029 11.044 -1.126) 11.101 98.144 ( -0.037 -10.556 0.061) 10.556 ======================= Grid point 756 (366/504) ======================= q-point: ( 0.07 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 20.180 12.128 3.493) 23.802 2.290 ( 5.289 3.369 14.901) 16.167 2.414 ( 20.322 4.920 -2.025) 21.007 3.054 ( 0.755 0.024 -11.032) 11.058 3.561 ( 2.962 9.090 17.003) 19.507 4.108 ( -15.612 1.121 -4.643) 16.327 4.692 ( 14.348 0.192 -2.376) 14.544 4.982 ( -1.321 5.781 -0.865) 5.993 5.376 ( 6.438 -2.717 1.999) 7.269 6.286 ( -1.442 -27.189 -7.967) 28.369 8.701 ( -3.007 2.618 11.699) 12.360 9.046 ( -3.830 15.544 -9.371) 18.550 24.902 ( -0.590 15.528 0.276) 15.541 27.431 ( 0.860 3.713 0.133) 3.814 29.699 ( 3.838 -3.251 0.106) 5.032 34.753 ( -2.572 -18.064 -1.362) 18.297 94.230 ( -0.421 10.263 -0.586) 10.289 98.082 ( -6.647 -9.733 0.444) 11.794 ======================= Grid point 757 (367/504) ======================= q-point: ( 0.14 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 26.781 7.422 1.326) 27.822 2.488 ( 8.160 2.509 6.153) 10.523 2.824 ( 23.070 3.766 -1.301) 23.411 3.019 ( 2.104 -0.680 -5.520) 5.946 3.734 ( 4.940 4.966 9.744) 12.000 3.816 ( -9.987 3.279 -5.895) 12.051 4.914 ( 7.430 1.884 2.284) 7.998 4.951 ( 2.331 5.022 -3.620) 6.615 5.573 ( 12.822 -2.648 2.691) 13.366 6.204 ( -2.536 -24.318 -3.920) 24.762 8.684 ( -6.380 0.865 6.528) 9.169 8.905 ( -5.560 13.985 -4.984) 15.854 24.888 ( -1.054 15.202 0.117) 15.239 27.455 ( 1.570 4.104 0.121) 4.395 29.794 ( 6.398 -3.101 0.034) 7.110 34.681 ( -4.526 -17.641 -0.638) 18.224 94.218 ( -0.556 9.467 -0.149) 9.485 97.926 ( -10.633 -8.362 0.594) 13.540 ======================= Grid point 758 (368/504) ======================= q-point: ( 0.21 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 24.667 2.723 0.495) 24.821 2.658 ( 9.695 -0.138 -3.300) 10.242 3.044 ( 3.174 -0.378 1.119) 3.386 3.142 ( 11.667 6.844 -2.782) 13.809 3.576 ( -10.855 5.701 2.647) 12.543 4.013 ( 18.082 -2.302 -1.687) 18.305 4.902 ( -1.072 7.292 -0.243) 7.375 5.113 ( 8.759 0.805 0.944) 8.847 5.826 ( 15.187 -3.583 -7.789) 17.440 6.185 ( 0.053 -18.919 9.889) 21.348 8.554 ( -9.640 -0.506 -1.206) 9.728 8.790 ( -6.131 10.834 1.393) 12.527 24.866 ( -1.327 15.000 -0.081) 15.059 27.488 ( 1.948 4.682 0.112) 5.072 29.921 ( 7.389 -2.831 0.320) 7.919 34.587 ( -5.489 -17.062 -0.081) 17.923 94.208 ( -0.480 8.790 0.125) 8.804 97.721 ( -11.892 -6.841 -0.047) 13.720 ======================= Grid point 759 (369/504) ======================= q-point: ( 0.29 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 11.192 -3.865 -10.346) 15.724 2.889 ( 15.846 -0.538 2.618) 16.070 3.102 ( 0.663 -0.758 3.185) 3.340 3.267 ( 7.006 9.338 -4.056) 12.359 3.459 ( -5.205 9.400 5.822) 12.221 4.285 ( 11.231 -7.351 -3.025) 13.759 4.927 ( 5.397 8.176 -2.518) 10.115 5.257 ( 5.672 -0.433 3.557) 6.709 5.987 ( 13.540 -7.780 -14.903) 21.586 6.375 ( 7.792 -9.805 19.820) 23.445 8.343 ( -11.537 -1.302 -3.706) 12.187 8.686 ( -6.973 7.200 2.164) 10.254 24.841 ( -1.371 14.915 -0.233) 14.979 27.524 ( 1.928 5.340 0.106) 5.678 30.056 ( 6.939 -2.502 0.676) 7.408 34.489 ( -5.309 -16.424 0.247) 17.263 94.203 ( -0.296 8.277 0.259) 8.286 97.510 ( -10.878 -5.433 -0.873) 12.190 ======================= Grid point 760 (370/504) ======================= q-point: ( 0.36 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 8.869 -4.414 -8.502) 13.055 3.044 ( -2.170 -1.277 1.945) 3.182 3.165 ( 6.490 -1.892 3.382) 7.559 3.348 ( 2.628 6.711 -1.291) 7.322 3.485 ( 5.092 11.871 2.377) 13.134 4.363 ( 0.771 -4.970 -1.481) 5.243 5.031 ( 7.916 4.576 -6.248) 11.075 5.372 ( 3.949 -1.730 4.794) 6.447 6.159 ( 13.413 -8.233 -6.337) 16.966 6.679 ( 12.190 -5.665 14.395) 19.696 8.095 ( -12.799 -1.744 -4.297) 13.613 8.571 ( -6.829 4.345 1.049) 8.162 24.815 ( -1.180 14.923 -0.275) 14.972 27.556 ( 1.521 5.950 0.104) 6.142 30.173 ( 5.397 -2.204 0.791) 5.883 34.405 ( -4.037 -15.842 0.345) 16.352 94.201 ( -0.099 7.946 0.287) 7.951 97.327 ( -8.376 -4.318 -1.205) 9.500 ======================= Grid point 761 (371/504) ======================= q-point: ( 0.43 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -7.972 -3.484 6.789) 11.035 3.018 ( 2.958 -0.450 -3.418) 4.542 3.299 ( 5.390 -0.010 1.748) 5.666 3.363 ( 3.930 2.846 -7.016) 8.530 3.609 ( 5.859 9.428 1.049) 11.150 4.346 ( -0.892 -1.779 -0.551) 2.065 5.091 ( 3.050 1.882 -6.063) 7.043 5.464 ( 2.538 -2.786 4.596) 5.944 6.334 ( 6.322 -7.720 1.717) 10.125 7.008 ( 15.705 -4.193 7.561) 17.927 7.832 ( -12.226 -1.698 -5.248) 13.413 8.466 ( -5.055 2.394 0.477) 5.613 24.796 ( -0.789 15.002 -0.189) 15.024 27.578 ( 0.811 6.383 0.110) 6.435 30.256 ( 3.197 -2.038 0.568) 3.834 34.352 ( -1.936 -15.423 0.218) 15.545 94.203 ( 0.063 7.815 0.225) 7.818 97.197 ( -5.185 -3.582 -0.800) 6.353 ======================= Grid point 762 (372/504) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -14.997 -1.235 12.984) 19.875 3.015 ( -3.525 -0.343 -0.686) 3.608 3.340 ( 1.249 -0.043 0.346) 1.297 3.467 ( 12.463 0.371 -11.657) 17.069 3.693 ( 3.295 7.768 -0.604) 8.459 4.338 ( 0.494 -0.022 -0.685) 0.844 5.047 ( -4.752 1.555 -2.369) 5.533 5.526 ( 1.240 -3.590 3.288) 5.024 6.375 ( -5.132 -6.828 5.367) 10.088 7.317 ( 11.144 -2.988 4.728) 12.469 7.618 ( -3.588 -2.801 -8.267) 9.437 8.409 ( -1.500 1.567 1.088) 2.427 24.785 ( -0.268 15.132 -0.002) 15.134 27.586 ( -0.066 6.545 0.124) 6.547 30.294 ( 0.719 -2.087 0.060) 2.208 34.340 ( 0.576 -15.243 -0.113) 15.254 94.206 ( 0.199 7.911 0.080) 7.914 97.132 ( -1.810 -3.240 0.286) 3.722 ======================= Grid point 763 (373/504) ======================= q-point: (-0.43 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -17.329 -0.564 15.944) 23.555 2.882 ( -11.662 0.698 4.110) 12.385 3.380 ( 3.383 -1.505 -2.177) 4.295 3.597 ( 9.468 1.879 -11.785) 15.233 3.724 ( 2.813 5.227 -4.821) 7.647 4.338 ( -1.209 0.526 -0.262) 1.344 4.906 ( -9.515 3.516 2.365) 10.416 5.549 ( -0.486 -3.821 1.087) 4.003 6.218 ( -16.382 -5.637 6.011) 18.338 7.331 ( -5.480 -2.009 -2.104) 6.204 7.726 ( 15.150 -5.264 -4.901) 16.771 8.437 ( 3.408 1.981 2.342) 4.585 24.786 ( 0.296 15.305 0.238) 15.309 27.578 ( -0.935 6.398 0.142) 6.468 30.283 ( -1.783 -2.377 -0.659) 3.044 34.371 ( 3.021 -15.335 -0.578) 15.640 94.211 ( 0.351 8.271 -0.147) 8.280 97.138 ( 1.596 -3.289 1.941) 4.139 ======================= Grid point 764 (374/504) ======================= q-point: (-0.36 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -17.831 -1.904 18.272) 25.602 2.682 ( -14.895 3.239 9.315) 17.864 3.415 ( 2.353 -1.291 -3.831) 4.678 3.556 ( -6.856 6.090 -7.905) 12.107 3.781 ( 9.864 0.588 -13.237) 16.519 4.251 ( -10.138 -0.373 4.190) 10.976 4.802 ( -3.291 7.268 3.641) 8.769 5.523 ( -2.310 -3.432 -1.273) 4.329 5.894 ( -23.175 -4.325 6.418) 24.433 7.216 ( -3.519 -5.283 -7.590) 9.895 7.949 ( 11.221 -4.988 -1.080) 12.327 8.563 ( 8.501 3.627 2.383) 9.544 24.799 ( 0.814 15.526 0.465) 15.555 27.555 ( -1.628 5.975 0.155) 6.194 30.221 ( -4.170 -2.853 -1.503) 5.271 34.438 ( 4.972 -15.690 -1.067) 16.494 94.217 ( 0.564 8.923 -0.458) 8.952 97.218 ( 5.125 -3.771 3.967) 7.498 ======================= Grid point 765 (375/504) ======================= q-point: (-0.29 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -17.167 -5.797 19.617) 26.704 2.496 ( -15.025 7.173 15.219) 22.557 3.240 ( -19.801 9.530 -5.123) 22.564 3.431 ( 1.352 -0.488 -6.544) 6.700 3.857 ( 8.434 0.178 -13.699) 16.088 4.053 ( -15.919 -0.845 6.937) 17.386 4.817 ( 1.559 8.755 1.756) 9.065 5.426 ( -9.893 -2.189 -2.141) 10.356 5.555 ( -15.020 -3.433 7.395) 17.090 7.083 ( -3.753 -10.006 -13.173) 16.963 8.120 ( 7.064 -4.108 3.845) 9.031 8.757 ( 11.341 6.431 0.397) 13.044 24.821 ( 1.196 15.803 0.610) 15.860 27.523 ( -2.016 5.367 0.156) 5.735 30.113 ( -6.301 -3.351 -2.220) 7.474 34.531 ( 6.113 -16.262 -1.504) 17.438 94.225 ( 0.831 9.831 -0.857) 9.903 97.378 ( 8.822 -4.799 5.784) 11.589 ======================= Grid point 766 (376/504) ======================= q-point: (-0.21 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -15.622 -8.570 20.739) 27.342 2.318 ( -19.080 7.009 14.853) 25.175 2.842 ( -19.798 16.621 4.179) 26.186 3.395 ( 0.121 0.140 -8.609) 8.611 3.707 ( -23.261 2.256 5.159) 23.933 3.947 ( 7.763 -1.025 -10.824) 13.360 4.848 ( 0.056 5.338 1.559) 5.561 5.198 ( -11.393 1.102 2.736) 11.769 5.453 ( -3.795 -2.656 2.568) 5.296 6.890 ( -5.708 -15.711 -17.396) 24.126 8.267 ( 4.830 -2.715 8.252) 9.939 8.957 ( 11.239 10.231 -2.721) 15.440 24.849 ( 1.348 16.100 0.617) 16.168 27.487 ( -2.031 4.703 0.143) 5.125 29.969 ( -7.715 -3.634 -2.284) 8.829 34.631 ( 6.214 -16.964 -1.903) 18.166 94.234 ( 1.027 10.802 -1.297) 10.928 97.610 ( 11.939 -6.495 6.150) 14.918 ======================= Grid point 767 (377/504) ======================= q-point: (-0.14 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -23.076 -1.194 13.024) 26.525 2.015 ( -16.885 3.585 17.033) 24.250 2.644 ( -12.323 13.951 10.241) 21.245 3.269 ( -15.049 4.030 4.905) 16.333 3.370 ( -7.484 5.934 -3.185) 10.068 4.044 ( 10.430 -1.322 -8.567) 13.561 4.828 ( -4.807 -2.432 3.730) 6.553 5.066 ( -4.058 7.778 -2.333) 9.078 5.414 ( -3.142 -2.351 2.705) 4.766 6.656 ( -5.879 -21.630 -17.627) 28.515 8.409 ( 3.363 -0.957 11.218) 11.750 9.110 ( 8.860 14.090 -6.287) 17.792 24.876 ( 1.171 16.294 0.505) 16.344 27.454 ( -1.663 4.118 0.135) 4.443 29.817 ( -7.349 -3.581 -1.340) 8.284 34.721 ( 5.105 -17.649 -2.269) 18.512 94.243 ( 0.944 11.472 -1.603) 11.622 97.870 ( 12.160 -8.622 4.110) 15.463 ======================= Grid point 768 (378/504) ======================= q-point: (-0.07 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -21.677 12.248 7.563) 26.021 1.991 ( -5.240 -0.406 22.981) 23.574 2.397 ( -16.133 6.643 -0.514) 17.454 3.174 ( -3.148 8.809 11.921) 15.153 3.280 ( -1.982 7.708 0.718) 7.991 4.205 ( 12.815 -1.489 -5.618) 14.071 4.699 ( -10.984 -3.800 -0.188) 11.624 5.014 ( 0.012 9.048 -3.004) 9.533 5.363 ( -3.950 -2.613 1.391) 4.936 6.467 ( -2.549 -26.253 -13.850) 29.791 8.540 ( 1.731 0.924 12.830) 12.980 9.180 ( 4.709 16.546 -9.185) 19.502 24.896 ( 0.665 16.235 0.397) 16.254 27.431 ( -0.956 3.721 0.140) 3.844 29.702 ( -4.448 -3.389 -0.109) 5.593 34.778 ( 2.865 -18.118 -2.392) 18.498 94.245 ( 0.517 11.542 -1.547) 11.657 98.072 ( 7.498 -10.249 1.206) 12.756 ======================= Grid point 769 (379/504) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -0.241 22.394 6.274) 23.257 2.146 ( 1.553 1.881 22.940) 23.070 2.395 ( 0.846 11.040 -3.701) 11.675 3.166 ( -0.376 1.500 -15.658) 15.734 3.695 ( 0.122 18.854 16.877) 25.305 4.337 ( -0.343 -2.536 -1.284) 2.863 4.445 ( 0.353 -5.142 2.619) 5.781 5.174 ( -0.229 9.778 -4.876) 10.929 5.237 ( -0.588 -5.318 0.045) 5.350 5.802 ( -0.041 -25.491 -12.629) 28.448 8.707 ( -0.294 4.274 13.481) 14.145 9.470 ( -0.101 13.961 -9.322) 16.787 25.346 ( 0.008 29.027 -0.764) 29.037 27.525 ( -0.061 6.924 0.179) 6.926 29.567 ( -0.035 -6.433 0.311) 6.441 34.272 ( 0.048 -34.608 -1.925) 34.662 94.524 ( 0.011 17.304 -3.169) 17.592 97.865 ( -0.050 -17.535 1.081) 17.568 ======================= Grid point 770 (380/504) ======================= q-point: ( 0.07 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 13.933 18.838 4.564) 23.871 2.345 ( 4.705 2.018 16.423) 17.202 2.552 ( 17.827 9.025 -2.621) 20.152 3.060 ( 0.314 0.420 -13.447) 13.457 3.802 ( 0.651 14.852 11.468) 18.775 4.115 ( -13.902 -0.963 -1.742) 14.043 4.679 ( 14.262 -2.544 3.150) 14.825 5.133 ( -0.965 9.088 -3.661) 9.845 5.298 ( 6.636 -5.240 1.674) 8.620 5.731 ( 0.629 -25.800 -10.413) 27.830 8.755 ( -3.855 3.382 10.560) 11.739 9.357 ( -5.478 14.401 -7.431) 17.106 25.335 ( -0.753 28.672 -0.379) 28.684 27.537 ( 1.267 7.180 0.170) 7.293 29.606 ( 3.981 -6.329 0.106) 7.478 34.242 ( -2.136 -34.333 -1.295) 34.423 94.498 ( -0.886 16.618 -1.803) 16.739 97.821 ( -5.249 -16.529 0.898) 17.366 ======================= Grid point 771 (381/504) ======================= q-point: ( 0.14 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 19.731 12.442 3.210) 23.546 2.522 ( 6.353 0.687 4.594) 7.870 2.926 ( 21.564 6.085 -0.920) 22.424 3.017 ( 4.246 0.851 -6.166) 7.535 3.858 ( -8.105 5.228 3.072) 10.122 3.897 ( -0.767 6.576 0.503) 6.639 4.942 ( 11.703 0.301 3.094) 12.109 5.093 ( -0.706 8.783 -2.971) 9.299 5.493 ( 12.563 -5.624 3.829) 14.287 5.682 ( 1.189 -25.697 -7.037) 26.670 8.706 ( -7.592 1.808 4.760) 9.141 9.189 ( -8.741 13.406 -2.902) 16.265 25.315 ( -1.243 28.407 -0.111) 28.435 27.572 ( 2.326 7.898 0.160) 8.235 29.705 ( 6.748 -6.045 -0.011) 9.059 34.181 ( -3.765 -33.615 -0.605) 33.830 94.469 ( -1.255 15.835 -0.642) 15.897 97.699 ( -8.569 -14.562 0.659) 16.909 ======================= Grid point 772 (382/504) ======================= q-point: ( 0.21 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 16.854 4.744 -2.057) 17.629 2.647 ( 8.447 -0.897 -1.391) 8.608 3.048 ( 3.049 0.781 2.161) 3.818 3.309 ( 16.698 9.293 -2.078) 19.222 3.707 ( -6.270 7.172 1.809) 9.697 3.982 ( 7.257 -0.087 -0.574) 7.280 5.069 ( 0.479 8.807 -0.914) 8.867 5.133 ( 7.157 1.117 1.293) 7.358 5.662 ( 7.976 -16.933 -13.432) 23.038 5.818 ( 12.578 -12.571 15.096) 23.327 8.552 ( -10.567 0.630 -1.075) 10.641 9.012 ( -10.303 10.584 1.185) 14.818 25.289 ( -1.464 28.300 -0.021) 28.338 27.621 ( 2.912 8.948 0.153) 9.412 29.840 ( 7.928 -5.571 0.138) 9.691 34.102 ( -4.559 -32.604 -0.036) 32.922 94.445 ( -1.199 15.113 0.095) 15.161 97.534 ( -9.753 -12.226 -0.017) 15.640 ======================= Grid point 773 (383/504) ======================= q-point: ( 0.29 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 10.393 -2.607 -12.338) 16.341 2.875 ( 9.279 -0.900 7.409) 11.908 3.106 ( 1.660 1.053 1.767) 2.644 3.486 ( 5.926 12.294 -3.022) 13.978 3.669 ( -0.036 11.518 2.350) 11.755 4.137 ( 9.047 -7.082 -0.599) 11.504 5.089 ( 2.934 7.607 -2.389) 8.496 5.241 ( 3.571 -1.418 3.150) 4.968 5.759 ( 11.791 -14.626 -8.997) 20.830 6.172 ( 14.650 -10.448 13.844) 22.703 8.327 ( -12.174 -0.010 -3.812) 12.757 8.833 ( -10.726 7.001 2.010) 12.965 25.263 ( -1.423 28.348 -0.034) 28.383 27.675 ( 2.914 10.134 0.150) 10.545 29.983 ( 7.547 -5.013 0.364) 9.068 34.021 ( -4.388 -31.488 0.325) 31.794 94.428 ( -0.887 14.542 0.433) 14.576 97.359 ( -9.058 -9.972 -0.742) 13.492 ======================= Grid point 774 (384/504) ======================= q-point: ( 0.36 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 8.075 -3.311 -7.583) 11.562 3.000 ( -0.233 -2.802 4.590) 5.383 3.174 ( 5.938 2.015 1.163) 6.378 3.503 ( -1.416 8.098 -2.790) 8.681 3.729 ( 5.137 13.049 0.280) 14.026 4.260 ( 4.385 -4.730 0.580) 6.475 5.125 ( 3.190 4.288 -4.446) 6.951 5.321 ( 2.586 -3.606 4.029) 5.994 5.949 ( 13.017 -12.529 -3.128) 18.336 6.526 ( 15.066 -9.993 10.929) 21.126 8.072 ( -12.655 -0.134 -4.589) 13.462 8.658 ( -9.640 4.034 1.143) 10.512 25.239 ( -1.140 28.510 -0.057) 28.533 27.724 ( 2.326 11.222 0.151) 11.462 30.109 ( 5.897 -4.519 0.437) 7.442 33.954 ( -3.295 -30.471 0.441) 30.652 94.419 ( -0.461 14.171 0.481) 14.187 97.206 ( -7.066 -8.132 -1.033) 10.822 ======================= Grid point 775 (385/504) ======================= q-point: ( 0.43 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -4.439 -2.937 5.581) 7.713 3.010 ( 2.762 -0.464 -3.871) 4.778 3.309 ( 7.354 1.013 0.826) 7.470 3.430 ( -2.625 3.369 -4.797) 6.423 3.823 ( 4.706 12.025 -0.411) 12.919 4.315 ( 1.950 -0.849 0.274) 2.144 5.133 ( 0.833 2.061 -4.390) 4.921 5.386 ( 1.530 -5.211 3.832) 6.647 6.138 ( 7.097 -11.875 1.957) 13.972 6.865 ( 15.481 -10.851 6.978) 20.151 7.817 ( -11.462 0.753 -5.139) 12.584 8.514 ( -6.647 2.177 0.613) 7.021 25.222 ( -0.664 28.731 -0.043) 28.739 27.758 ( 1.260 11.989 0.157) 12.056 30.196 ( 3.411 -4.246 0.279) 5.453 33.912 ( -1.502 -29.741 0.301) 29.780 94.418 ( 0.005 14.035 0.326) 14.039 97.095 ( -4.420 -6.885 -0.696) 8.212 ======================= Grid point 776 (386/504) ======================= q-point: (-0.50 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -12.679 -0.658 11.636) 17.222 3.011 ( -1.922 0.094 -2.198) 2.921 3.347 ( -1.763 0.377 0.530) 1.880 3.470 ( 11.234 0.215 -8.746) 14.239 3.882 ( 2.384 10.941 -1.640) 11.318 4.349 ( 2.314 1.387 -1.238) 2.968 5.084 ( -4.064 1.935 -1.479) 4.738 5.429 ( 0.733 -6.181 2.815) 6.831 6.198 ( -3.367 -10.875 4.327) 12.179 7.153 ( 10.734 -14.007 2.971) 17.896 7.619 ( -4.571 3.159 -5.458) 7.789 8.441 ( -1.821 1.459 1.290) 2.666 25.215 ( -0.061 28.961 0.004) 28.961 27.770 ( -0.074 12.268 0.168) 12.269 30.233 ( 0.530 -4.313 -0.073) 4.346 33.905 ( 0.629 -29.428 -0.073) 29.435 94.424 ( 0.515 14.168 0.001) 14.177 97.039 ( -1.564 -6.288 0.236) 6.484 ======================= Grid point 777 (387/504) ======================= q-point: (-0.43 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -16.391 0.231 13.030) 20.940 2.908 ( -9.476 2.173 4.997) 10.931 3.352 ( 2.625 -1.445 -2.824) 4.117 3.604 ( 10.126 -0.502 -9.742) 14.060 3.882 ( -0.270 10.016 -4.023) 10.797 4.365 ( -0.296 2.554 -2.000) 3.258 4.988 ( -5.545 4.416 2.350) 7.468 5.447 ( -0.501 -6.483 1.274) 6.626 6.071 ( -13.904 -9.090 4.601) 17.237 7.196 ( -4.036 -12.972 -4.912) 14.446 7.666 ( 10.806 0.427 -1.150) 10.875 8.475 ( 4.115 1.657 2.869) 5.283 25.220 ( 0.599 29.170 0.046) 29.176 27.758 ( -1.404 11.997 0.179) 12.080 30.213 ( -2.387 -4.755 -0.557) 5.349 33.933 ( 2.685 -29.589 -0.602) 29.717 94.437 ( 1.118 14.594 -0.516) 14.646 97.044 ( 1.334 -6.357 1.662) 6.704 ======================= Grid point 778 (388/504) ======================= q-point: (-0.36 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -18.702 -0.856 13.882) 23.307 2.774 ( -11.332 6.177 11.600) 17.353 3.381 ( 3.225 -2.271 -4.933) 6.316 3.662 ( 0.994 2.718 -9.018) 9.471 3.830 ( 0.728 6.219 -7.351) 9.656 4.279 ( -8.390 3.499 0.267) 9.094 4.959 ( 0.362 8.013 2.943) 8.544 5.426 ( -2.313 -6.389 -0.070) 6.795 5.786 ( -19.929 -6.319 4.399) 21.365 7.039 ( -6.557 -13.242 -10.553) 18.158 7.876 ( 10.837 -1.595 1.998) 11.135 8.627 ( 9.854 2.452 3.768) 10.831 25.237 ( 1.239 29.347 0.019) 29.373 27.724 ( -2.459 11.233 0.186) 11.500 30.140 ( -5.057 -5.469 -1.093) 7.529 33.991 ( 4.297 -30.206 -1.163) 30.532 94.457 ( 1.832 15.306 -1.285) 15.469 97.112 ( 4.281 -7.146 3.398) 8.996 ======================= Grid point 779 (389/504) ======================= q-point: (-0.29 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -18.688 -2.235 16.512) 25.037 2.658 ( -12.292 9.566 14.717) 21.429 3.389 ( 1.333 -1.347 -6.824) 7.082 3.483 ( -12.157 11.601 -5.029) 17.540 3.838 ( 3.804 -1.290 -7.133) 8.186 4.096 ( -11.519 5.194 0.273) 12.639 4.997 ( 0.141 8.457 1.343) 8.564 5.344 ( -8.098 -6.080 0.705) 10.151 5.498 ( -11.326 -1.877 3.089) 11.889 6.815 ( -8.520 -16.893 -15.289) 24.325 8.073 ( 8.238 -0.289 5.582) 9.955 8.866 ( 13.599 4.053 2.654) 14.436 25.264 ( 1.756 29.490 -0.150) 29.542 27.675 ( -3.035 10.139 0.184) 10.585 30.020 ( -7.182 -6.209 -1.489) 9.610 34.068 ( 5.191 -31.189 -1.650) 31.661 94.484 ( 2.527 16.206 -2.338) 16.568 97.245 ( 7.206 -8.791 4.957) 12.401 ======================= Grid point 780 (390/504) ======================= q-point: (-0.21 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -15.622 -2.343 20.562) 25.929 2.493 ( -17.467 10.890 11.709) 23.681 3.187 ( -15.064 17.023 1.471) 22.779 3.386 ( 1.384 -0.821 -8.802) 8.947 3.763 ( -13.717 3.161 4.182) 14.684 3.954 ( 2.718 2.584 -8.382) 9.182 4.917 ( -10.278 0.609 4.301) 11.158 5.243 ( -1.379 2.728 -0.399) 3.082 5.410 ( -2.437 -0.517 0.280) 2.507 6.520 ( -10.910 -20.911 -18.636) 30.060 8.255 ( 6.391 1.576 9.252) 11.354 9.131 ( 14.335 6.704 -0.400) 15.831 25.296 ( 1.980 29.573 -0.490) 29.643 27.620 ( -3.032 8.945 0.175) 9.446 29.868 ( -8.233 -6.658 -1.410) 10.681 34.150 ( 5.191 -32.379 -2.027) 32.855 94.513 ( 2.847 17.070 -3.514) 17.659 97.433 ( 9.420 -11.378 5.430) 15.738 ======================= Grid point 781 (391/504) ======================= q-point: (-0.14 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -10.867 0.478 22.529) 25.017 2.200 ( -20.756 13.390 9.042) 26.303 2.908 ( -18.459 12.145 0.291) 22.098 3.341 ( 0.991 2.353 -9.753) 10.081 3.570 ( -9.900 14.738 11.812) 21.324 4.012 ( 8.186 -1.655 -6.168) 10.382 4.762 ( -10.576 -4.270 6.507) 13.131 5.232 ( 0.894 7.014 -4.132) 8.190 5.370 ( -2.819 -0.541 0.104) 2.872 6.190 ( -10.116 -24.026 -19.132) 32.336 8.431 ( 4.765 3.133 12.146) 13.418 9.354 ( 11.793 9.765 -4.559) 15.976 25.326 ( 1.710 29.540 -0.872) 29.602 27.571 ( -2.452 7.890 0.170) 8.264 29.716 ( -7.403 -6.683 -0.716) 9.999 34.221 ( 4.205 -33.528 -2.273) 33.867 94.534 ( 2.412 17.621 -4.312) 18.300 97.641 ( 9.285 -14.485 4.191) 17.708 ======================= Grid point 782 (392/504) ======================= q-point: (-0.07 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -11.811 16.211 11.057) 22.903 2.020 ( -7.135 4.883 20.849) 22.571 2.565 ( -15.554 10.321 -3.070) 18.917 3.273 ( 0.385 2.330 -14.159) 14.355 3.582 ( -2.137 20.369 18.594) 27.662 4.158 ( 11.550 -3.361 -3.022) 12.403 4.610 ( -11.400 -5.580 4.883) 13.599 5.209 ( 0.518 9.212 -5.875) 10.938 5.297 ( -4.928 -3.099 0.107) 5.822 5.932 ( -4.184 -25.331 -16.210) 30.363 8.589 ( 2.626 4.118 13.750) 14.592 9.476 ( 6.378 12.357 -8.122) 16.104 25.343 ( 0.942 29.350 -1.004) 29.382 27.537 ( -1.393 7.175 0.176) 7.311 29.606 ( -4.345 -6.524 0.078) 7.838 34.265 ( 2.348 -34.337 -2.277) 34.492 94.538 ( 1.283 17.692 -4.193) 18.227 97.803 ( 5.655 -16.889 2.194) 17.945 ======================= Grid point 783 (393/504) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.290 23.264 6.554) 24.171 2.189 ( 1.117 2.894 19.787) 20.028 2.637 ( 0.845 13.544 -5.001) 14.462 3.169 ( -0.509 -1.718 -15.826) 15.927 4.036 ( -0.286 12.232 8.750) 15.042 4.278 ( 0.735 -3.541 -0.594) 3.665 4.304 ( -0.737 -5.803 3.512) 6.823 5.099 ( -0.608 -8.343 0.062) 8.365 5.333 ( 0.464 3.059 -5.327) 6.160 5.510 ( -0.193 -1.732 -10.935) 11.072 8.813 ( -0.195 6.665 11.572) 13.355 9.662 ( -0.124 5.815 -5.647) 8.106 26.010 ( -0.006 39.139 -1.479) 39.167 27.688 ( -0.068 9.828 0.228) 9.831 29.415 ( 0.036 -9.237 0.302) 9.242 33.469 ( 0.028 -47.669 -1.900) 47.707 94.880 ( 0.053 18.920 -4.196) 19.379 97.491 ( -0.051 -20.506 1.483) 20.560 ======================= Grid point 784 (394/504) ======================= q-point: ( 0.07 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 5.580 16.843 9.292) 20.029 2.388 ( 6.759 4.701 10.339) 13.217 2.750 ( 14.389 11.084 -3.637) 18.524 3.059 ( 0.109 -0.930 -12.689) 12.723 4.045 ( -7.344 -1.725 2.717) 8.019 4.097 ( -5.252 9.737 2.649) 11.376 4.560 ( 15.091 -8.974 2.453) 17.728 5.164 ( 6.815 -7.669 0.547) 10.274 5.309 ( -0.106 5.522 -2.452) 6.042 5.428 ( -1.052 -2.460 -9.109) 9.493 8.842 ( -4.534 5.623 8.551) 11.194 9.565 ( -6.365 6.852 -4.407) 10.338 25.994 ( -0.783 39.016 -0.846) 39.033 27.706 ( 1.883 10.172 0.208) 10.347 29.456 ( 4.217 -9.097 0.089) 10.027 33.444 ( -1.540 -47.385 -1.275) 47.427 94.846 ( -1.138 18.784 -2.514) 18.985 97.465 ( -3.668 -19.781 1.031) 20.145 ======================= Grid point 785 (395/504) ======================= q-point: ( 0.14 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 8.528 8.258 11.418) 16.471 2.543 ( 8.103 4.980 -5.073) 10.779 3.002 ( 4.722 1.113 -1.198) 4.998 3.087 ( 19.308 6.419 -4.299) 20.797 3.897 ( -6.302 0.367 -0.436) 6.327 4.071 ( -2.863 9.110 2.786) 9.947 4.850 ( 14.827 -11.021 1.557) 18.540 5.260 ( -0.027 6.435 -0.712) 6.475 5.352 ( 0.581 -3.816 -0.927) 3.970 5.375 ( 9.802 -7.190 -3.407) 12.625 8.765 ( -8.651 4.347 3.691) 10.361 9.388 ( -10.684 6.814 -1.499) 12.760 25.972 ( -1.231 39.032 -0.284) 39.053 27.757 ( 3.449 11.095 0.185) 11.620 29.561 ( 7.246 -8.742 -0.082) 11.355 33.399 ( -2.709 -46.552 -0.579) 46.634 94.807 ( -1.696 18.554 -0.994) 18.657 97.380 ( -6.125 -17.971 0.606) 18.996 ======================= Grid point 786 (396/504) ======================= q-point: ( 0.21 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 7.491 -1.057 -9.162) 11.882 2.679 ( 8.372 5.370 7.135) 12.241 3.068 ( 3.542 1.153 1.270) 3.935 3.457 ( 20.108 5.351 -1.473) 20.860 3.840 ( -0.221 6.443 1.284) 6.573 4.027 ( -2.756 4.591 0.694) 5.399 5.078 ( 8.922 -8.816 -0.568) 12.556 5.234 ( -0.327 6.671 -2.814) 7.248 5.359 ( 3.743 -6.997 0.309) 7.941 5.636 ( 15.484 -9.214 4.125) 18.484 8.590 ( -11.523 3.418 -0.757) 12.043 9.170 ( -13.038 5.448 0.747) 14.150 25.947 ( -1.368 39.218 0.055) 39.242 27.829 ( 4.331 12.424 0.169) 13.158 29.706 ( 8.642 -8.198 -0.079) 11.912 33.342 ( -3.267 -45.355 0.028) 45.472 94.773 ( -1.691 18.285 0.033) 18.363 97.261 ( -7.116 -15.624 0.007) 17.168 ======================= Grid point 787 (397/504) ======================= q-point: ( 0.29 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 9.508 -0.361 -12.366) 15.603 2.853 ( 3.953 -1.378 9.089) 10.006 3.137 ( 3.442 2.000 1.194) 4.156 3.685 ( 4.670 6.128 -4.462) 8.903 3.891 ( 4.243 11.125 0.806) 11.934 4.048 ( 5.467 -0.634 3.996) 6.801 5.156 ( 1.159 -3.930 0.352) 4.113 5.228 ( 1.124 2.540 -1.319) 3.075 5.499 ( 11.230 -10.124 -1.313) 15.177 5.964 ( 16.137 -11.304 6.911) 20.880 8.354 ( -12.712 3.019 -3.167) 13.444 8.936 ( -13.404 3.347 1.099) 13.860 25.924 ( -1.241 39.553 0.188) 39.573 27.910 ( 4.351 13.907 0.165) 14.573 29.861 ( 8.322 -7.587 0.001) 11.261 33.285 ( -3.112 -44.032 0.436) 44.144 94.748 ( -1.309 18.046 0.533) 18.101 97.132 ( -6.732 -13.232 -0.558) 14.857 ======================= Grid point 788 (398/504) ======================= q-point: ( 0.36 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 7.105 -0.619 -6.324) 9.532 2.945 ( 2.140 -2.766 3.017) 4.619 3.223 ( 4.730 2.764 2.632) 6.078 3.617 ( -5.441 2.769 -5.393) 8.146 3.982 ( 5.094 12.807 -0.287) 13.786 4.213 ( 6.958 0.460 4.336) 8.211 5.167 ( 0.654 -0.973 -1.251) 1.714 5.244 ( 0.548 -3.322 1.293) 3.607 5.711 ( 12.070 -11.252 -0.162) 16.502 6.297 ( 15.163 -13.454 6.878) 21.407 8.101 ( -12.325 3.237 -3.988) 13.352 8.713 ( -11.577 1.471 0.559) 11.683 25.906 ( -0.903 39.965 0.192) 39.976 27.983 ( 3.491 15.254 0.171) 15.649 29.997 ( 6.520 -7.063 0.023) 9.612 33.239 ( -2.271 -42.835 0.577) 42.899 94.734 ( -0.716 17.887 0.614) 17.912 97.017 ( -5.334 -11.195 -0.791) 12.426 ======================= Grid point 789 (399/504) ======================= q-point: ( 0.43 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -2.509 -0.360 5.043) 5.644 2.998 ( 4.788 -0.813 -5.365) 7.236 3.336 ( 5.340 1.721 2.502) 6.144 3.473 ( -5.342 0.867 -5.013) 7.377 4.059 ( 3.740 11.954 -0.964) 12.563 4.330 ( 3.926 2.441 1.756) 4.945 5.156 ( -0.570 0.040 -2.641) 2.702 5.268 ( 0.508 -6.682 2.857) 7.284 5.900 ( 7.091 -12.113 2.372) 14.235 6.596 ( 13.243 -16.339 4.655) 21.541 7.869 ( -9.928 4.441 -3.893) 11.552 8.540 ( -7.630 0.361 0.431) 7.650 25.895 ( -0.412 40.357 0.126) 40.360 28.034 ( 1.906 16.191 0.185) 16.303 30.090 ( 3.680 -6.776 -0.065) 7.711 33.214 ( -0.908 -41.980 0.420) 41.992 94.731 ( -0.010 17.844 0.391) 17.848 96.933 ( -3.376 -9.762 -0.548) 10.344 ======================= Grid point 790 (400/504) ======================= q-point: (-0.50 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -9.804 1.561 9.234) 13.558 3.018 ( 0.073 0.517 -3.242) 3.283 3.344 ( -3.267 -0.588 0.178) 3.325 3.482 ( 8.602 1.020 -5.438) 10.228 4.098 ( 1.611 11.018 -2.007) 11.314 4.397 ( 3.712 3.517 -1.184) 5.249 5.109 ( -3.097 0.411 -0.740) 3.210 5.297 ( 0.486 -7.238 2.265) 7.599 5.973 ( -1.775 -11.885 3.631) 12.553 6.814 ( 8.089 -19.944 0.228) 21.523 7.716 ( -3.717 6.307 -2.243) 7.657 8.457 ( -2.025 -0.040 1.327) 2.422 25.893 ( 0.175 40.643 0.010) 40.644 28.052 ( -0.091 16.519 0.203) 16.521 30.125 ( 0.314 -6.833 -0.238) 6.844 33.213 ( 0.699 -41.616 -0.012) 41.622 94.739 ( 0.794 17.934 -0.087) 17.952 96.890 ( -1.201 -9.044 0.160) 9.125 ======================= Grid point 791 (401/504) ======================= q-point: (-0.43 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -14.852 2.389 8.747) 17.401 2.969 ( -5.480 3.986 5.680) 8.842 3.321 ( 1.323 -1.636 -3.143) 3.782 3.592 ( 8.019 -0.537 -7.233) 10.812 4.085 ( -0.886 10.556 -3.737) 11.233 4.436 ( 1.181 4.572 -2.675) 5.427 5.058 ( -1.931 2.470 1.851) 3.641 5.310 ( -0.531 -7.353 1.172) 7.465 5.882 ( -10.733 -10.043 3.401) 15.087 6.858 ( -1.054 -20.717 -6.284) 21.675 7.730 ( 5.510 5.454 1.411) 7.880 8.492 ( 4.263 -0.120 3.075) 5.258 25.902 ( 0.809 40.767 -0.167) 40.775 28.033 ( -2.084 16.166 0.218) 16.301 30.098 ( -3.081 -7.252 -0.456) 7.892 33.238 ( 2.220 -41.805 -0.628) 41.869 94.758 ( 1.716 18.151 -0.839) 18.251 96.893 ( 1.021 -9.085 1.257) 9.228 ======================= Grid point 792 (402/504) ======================= q-point: (-0.36 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -17.564 2.678 9.576) 20.184 2.918 ( -6.887 8.439 11.485) 15.829 3.328 ( 2.619 -3.133 -6.107) 7.346 3.663 ( 5.301 -1.246 -7.596) 9.346 4.010 ( -4.317 10.800 -4.585) 12.502 4.378 ( -5.680 6.244 -1.999) 8.674 5.085 ( 2.796 4.472 1.758) 5.560 5.289 ( -2.556 -7.277 0.410) 7.724 5.661 ( -14.668 -6.457 2.641) 16.243 6.714 ( -7.272 -19.734 -11.584) 24.010 7.897 ( 9.668 3.540 4.181) 11.112 8.649 ( 10.065 -0.164 4.622) 11.077 25.920 ( 1.427 40.707 -0.439) 40.735 27.982 ( -3.660 15.205 0.227) 15.641 30.010 ( -6.057 -7.924 -0.668) 9.997 33.282 ( 3.367 -42.528 -1.287) 42.680 94.789 ( 2.712 18.445 -1.922) 18.743 96.945 ( 3.232 -9.939 2.579) 10.764 ======================= Grid point 793 (403/504) ======================= q-point: (-0.29 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -16.828 3.803 12.853) 21.514 2.861 ( -9.129 11.161 11.844) 18.660 3.326 ( 2.789 -4.306 -8.521) 9.946 3.658 ( -1.989 3.293 -5.538) 6.743 3.890 ( -4.615 8.930 -2.217) 10.293 4.225 ( -8.902 7.566 -2.678) 11.986 5.094 ( -7.995 0.452 2.970) 8.541 5.238 ( 0.045 -3.186 -1.558) 3.547 5.474 ( -5.550 -1.110 1.263) 5.799 6.453 ( -10.974 -20.084 -15.454) 27.616 8.110 ( 9.608 4.038 6.407) 12.234 8.905 ( 14.274 0.107 4.645) 15.011 25.946 ( 1.923 40.477 -0.839) 40.531 27.909 ( -4.510 13.837 0.229) 14.555 29.876 ( -8.158 -8.624 -0.768) 11.896 33.338 ( 3.940 -43.673 -1.851) 43.890 94.828 ( 3.546 18.724 -3.317) 19.344 97.044 ( 5.283 -11.688 3.760) 13.366 ======================= Grid point 794 (404/504) ======================= q-point: (-0.21 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -12.716 5.519 17.055) 21.978 2.726 ( -13.997 12.761 8.373) 20.710 3.302 ( 0.160 -3.667 -8.571) 9.324 3.496 ( -10.294 9.148 -5.330) 14.767 3.850 ( -0.996 7.036 3.511) 7.926 4.055 ( -5.748 7.646 -4.104) 10.409 4.887 ( -14.756 -2.603 5.418) 15.934 5.255 ( 1.884 -0.985 -2.774) 3.495 5.452 ( 0.930 3.226 -0.671) 3.424 6.118 ( -12.676 -20.235 -18.253) 30.055 8.325 ( 8.270 5.489 8.807) 13.269 9.205 ( 15.496 1.091 2.560) 15.744 25.976 ( 2.109 40.120 -1.344) 40.197 27.828 ( -4.484 12.342 0.228) 13.134 29.715 ( -8.840 -9.100 -0.603) 12.701 33.395 ( 3.837 -45.045 -2.237) 45.264 94.867 ( 3.786 18.898 -4.744) 19.848 97.182 ( 6.628 -14.304 4.211) 16.318 ======================= Grid point 795 (405/504) ======================= q-point: (-0.14 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -6.328 7.007 20.122) 22.227 2.489 ( -16.807 15.780 6.253) 23.887 3.105 ( -16.747 8.032 -3.908) 18.980 3.345 ( 1.356 -1.593 -13.408) 13.571 3.884 ( -0.581 14.551 10.199) 17.779 4.003 ( 2.943 2.487 -3.939) 5.511 4.679 ( -12.955 -3.683 6.476) 14.944 5.253 ( -0.753 -2.167 -1.830) 2.935 5.445 ( -1.356 4.280 -2.797) 5.290 5.782 ( -8.411 -16.971 -19.240) 26.998 8.526 ( 6.316 6.618 10.992) 14.301 9.472 ( 12.876 2.588 -0.974) 13.170 26.001 ( 1.788 39.719 -1.782) 39.799 27.756 ( -3.599 11.021 0.230) 11.596 29.561 ( -7.571 -9.266 -0.163) 11.967 33.442 ( 3.044 -46.361 -2.403) 46.523 94.894 ( 3.102 18.959 -5.618) 20.016 97.329 ( 6.293 -17.306 3.584) 18.761 ======================= Grid point 796 (406/504) ======================= q-point: (-0.07 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.231 8.253 20.065) 21.697 2.254 ( -13.236 18.102 7.455) 23.632 2.786 ( -12.750 12.219 -4.862) 18.316 3.275 ( 1.066 -2.494 -15.299) 15.538 3.963 ( 0.787 15.079 10.306) 18.282 4.091 ( 8.497 -1.131 -0.715) 8.602 4.496 ( -12.364 -5.020 5.249) 14.339 5.178 ( -6.320 -6.519 -0.437) 9.090 5.374 ( -0.885 1.654 -6.919) 7.169 5.595 ( -0.365 -6.083 -14.350) 15.590 8.698 ( 3.531 7.033 12.192) 14.511 9.636 ( 7.003 4.253 -4.280) 9.243 26.013 ( 0.972 39.376 -1.866) 39.432 27.706 ( -2.024 10.129 0.234) 10.332 29.452 ( -4.323 -9.268 0.247) 10.230 33.468 ( 1.678 -47.311 -2.300) 47.396 94.898 ( 1.657 18.964 -5.420) 19.793 97.443 ( 3.772 -19.665 2.384) 20.165 ======================= Grid point 797 (407/504) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.905 4.433 12.228) 13.039 2.565 ( -0.652 20.662 6.879) 21.787 2.906 ( 0.780 13.772 -6.114) 15.088 3.081 ( -0.396 -7.580 -12.562) 14.677 4.031 ( -0.515 -3.949 -1.257) 4.176 4.214 ( 0.722 -3.053 -0.481) 3.174 4.388 ( -0.447 7.178 -3.902) 8.182 4.914 ( -0.340 -10.642 -0.326) 10.652 5.366 ( 0.697 3.989 1.534) 4.330 5.608 ( -0.500 6.521 -5.871) 8.789 8.963 ( -0.136 8.756 9.183) 12.689 9.706 ( -0.155 -0.929 -1.973) 2.186 26.849 ( -0.031 47.285 -1.769) 47.319 27.902 ( -0.047 12.123 0.277) 12.126 29.212 ( 0.096 -11.559 0.294) 11.563 32.452 ( 0.008 -56.604 -1.967) 56.638 95.244 ( 0.081 18.518 -3.980) 18.941 97.087 ( -0.034 -20.916 1.108) 20.946 ======================= Grid point 798 (408/504) ======================= q-point: ( 0.07 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 1.244 1.866 10.847) 11.077 2.666 ( 5.805 17.879 2.997) 19.036 2.949 ( 5.403 4.797 -4.459) 8.490 3.025 ( 5.878 1.520 -8.583) 10.513 3.960 ( -4.297 -2.925 -1.689) 5.465 4.251 ( -0.372 2.637 2.413) 3.593 4.423 ( 9.423 -3.460 -6.067) 11.729 4.980 ( 7.417 -10.967 -0.416) 13.246 5.385 ( -1.088 5.672 4.259) 7.176 5.538 ( -2.605 7.588 -5.730) 9.859 8.973 ( -5.010 7.788 6.598) 11.370 9.629 ( -6.625 0.103 -1.668) 6.832 26.833 ( -0.667 47.285 -1.053) 47.301 27.927 ( 2.612 12.500 0.221) 12.771 29.256 ( 4.485 -11.426 0.065) 12.275 32.432 ( -0.919 -56.352 -1.303) 56.375 95.212 ( -1.077 18.790 -2.485) 18.984 97.071 ( -2.336 -20.554 0.735) 20.699 ======================= Grid point 799 (409/504) ======================= q-point: ( 0.14 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 4.062 -0.691 6.350) 7.569 2.740 ( 2.712 8.461 -3.584) 9.580 3.012 ( 4.756 1.830 1.075) 5.208 3.220 ( 17.025 6.853 -3.555) 18.693 3.909 ( 0.122 1.777 -0.325) 1.811 4.208 ( -4.430 4.542 0.579) 6.371 4.621 ( 14.422 -9.944 -3.094) 17.789 5.159 ( 12.144 -10.893 0.107) 16.314 5.379 ( -2.544 5.093 3.093) 6.479 5.448 ( -3.361 7.098 -3.203) 8.481 8.874 ( -9.366 6.849 2.837) 11.945 9.457 ( -11.424 0.575 -0.371) 11.444 26.813 ( -0.971 47.481 -0.353) 47.492 27.996 ( 4.748 13.457 0.160) 14.271 29.368 ( 7.746 -11.109 -0.147) 13.543 32.403 ( -1.602 -55.580 -0.567) 55.606 95.174 ( -1.674 19.035 -1.063) 19.138 97.017 ( -3.970 -19.248 0.402) 19.657 ======================= Grid point 800 (410/504) ======================= q-point: ( 0.21 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 7.227 -1.331 -3.300) 8.055 2.766 ( 1.290 2.015 2.644) 3.565 3.104 ( 4.329 3.523 0.767) 5.634 3.520 ( 16.051 1.577 -0.665) 16.142 3.960 ( 4.717 6.055 0.650) 7.703 4.130 ( -3.920 5.000 1.352) 6.496 4.859 ( 13.008 -9.925 -1.706) 16.451 5.322 ( -0.203 2.269 -5.372) 5.835 5.359 ( -1.122 1.278 5.700) 5.949 5.451 ( 10.908 -7.623 1.590) 13.402 8.685 ( -12.174 6.256 -0.513) 13.697 9.223 ( -14.194 0.289 0.381) 14.202 26.794 ( -0.975 47.880 0.138) 47.890 28.095 ( 5.952 14.815 0.117) 15.967 29.523 ( 9.298 -10.674 -0.250) 14.157 32.369 ( -1.917 -54.467 0.094) 54.501 95.139 ( -1.719 19.201 -0.039) 19.278 96.939 ( -4.688 -17.383 0.005) 18.004 ======================= Grid point 801 (411/504) ======================= q-point: ( 0.29 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 9.489 0.449 -9.711) 13.585 2.822 ( 1.040 -1.815 6.972) 7.279 3.185 ( 3.661 3.061 2.428) 5.355 3.693 ( 2.183 -3.665 -2.952) 5.187 4.072 ( 8.149 7.283 0.835) 10.961 4.141 ( 2.808 8.314 4.879) 10.041 5.033 ( 6.211 -6.178 -0.120) 8.761 5.268 ( -2.232 1.009 -2.735) 3.671 5.383 ( 3.709 -3.014 2.403) 5.349 5.729 ( 15.204 -12.794 3.260) 20.136 8.444 ( -13.039 6.031 -2.523) 14.586 8.962 ( -14.589 -0.467 0.122) 14.597 26.780 ( -0.772 48.430 0.377) 48.437 28.205 ( 5.982 16.320 0.104) 17.382 29.689 ( 8.995 -10.226 -0.280) 13.622 32.337 ( -1.792 -53.251 0.552) 53.284 95.113 ( -1.357 19.293 0.497) 19.347 96.854 ( -4.499 -15.366 -0.359) 16.015 ======================= Grid point 802 (412/504) ======================= q-point: ( 0.36 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 6.442 1.236 -5.196) 8.369 2.897 ( 4.096 -2.028 1.533) 4.821 3.275 ( 3.619 2.515 4.564) 6.345 3.608 ( -6.274 -2.939 -4.038) 8.019 4.213 ( 4.952 10.551 -0.102) 11.656 4.269 ( 6.784 4.469 5.426) 9.769 5.096 ( 1.500 -4.167 1.370) 4.636 5.203 ( -3.185 -2.101 -1.403) 4.066 5.527 ( 9.275 -7.726 1.247) 12.136 6.016 ( 13.614 -15.101 3.570) 20.643 8.194 ( -12.004 6.178 -3.316) 13.902 8.715 ( -12.402 -1.242 -0.301) 12.468 26.772 ( -0.444 49.019 0.401) 49.022 28.305 ( 4.806 17.680 0.119) 18.322 29.833 ( 7.045 -9.866 -0.305) 12.127 32.314 ( -1.224 -52.166 0.719) 52.186 95.097 ( -0.744 19.335 0.602) 19.358 96.777 ( -3.602 -13.562 -0.522) 14.042 ======================= Grid point 803 (413/504) ======================= q-point: ( 0.43 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -0.434 1.876 3.773) 4.236 2.982 ( 6.412 -0.734 -6.235) 8.973 3.367 ( 1.533 1.210 5.246) 5.598 3.473 ( -3.693 -0.438 -3.689) 5.238 4.274 ( 2.669 10.020 -1.069) 10.425 4.398 ( 4.296 4.049 2.470) 6.399 5.126 ( 0.365 -3.870 0.504) 3.920 5.145 ( -1.847 -4.723 0.274) 5.079 5.687 ( 6.113 -9.502 2.346) 11.539 6.257 ( 10.547 -17.965 2.204) 20.948 7.980 ( -8.882 6.814 -2.923) 11.570 8.526 ( -8.012 -1.779 -0.053) 8.207 26.770 ( -0.051 49.512 0.265) 49.513 28.374 ( 2.630 18.619 0.156) 18.805 29.931 ( 3.902 -9.682 -0.343) 10.444 32.304 ( -0.305 -51.401 0.548) 51.405 95.094 ( 0.017 19.346 0.369) 19.349 96.720 ( -2.280 -12.230 -0.383) 12.447 ======================= Grid point 804 (414/504) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -6.669 3.640 5.419) 9.332 3.026 ( 2.813 0.147 -4.300) 5.141 3.338 ( -3.964 0.397 2.622) 4.769 3.507 ( 6.180 1.359 -2.948) 6.980 4.296 ( 0.896 9.162 -2.087) 9.440 4.474 ( 4.097 4.038 -0.821) 5.811 5.094 ( -1.984 -2.058 0.071) 2.860 5.161 ( 0.665 -6.346 1.524) 6.560 5.757 ( -0.758 -9.918 2.913) 10.365 6.411 ( 5.669 -20.943 -1.094) 21.724 7.852 ( -3.371 7.598 -0.947) 8.366 8.436 ( -2.174 -2.106 1.126) 3.230 26.774 ( 0.376 49.798 0.008) 49.799 28.398 ( -0.114 18.935 0.201) 18.936 29.965 ( 0.144 -9.727 -0.376) 9.736 32.311 ( 0.766 -51.076 0.060) 51.082 95.103 ( 0.888 19.332 -0.151) 19.353 96.691 ( -0.772 -11.514 0.069) 11.540 ======================= Grid point 805 (415/504) ======================= q-point: (-0.43 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -12.105 4.904 3.854) 13.617 3.048 ( 0.543 3.447 2.951) 4.570 3.303 ( -1.498 0.420 0.103) 1.559 3.587 ( 5.719 -0.009 -5.465) 7.910 4.278 ( -0.872 9.081 -3.229) 9.678 4.530 ( 2.497 4.644 -2.443) 5.811 5.079 ( 0.436 -0.267 1.165) 1.273 5.175 ( -0.078 -6.257 0.623) 6.289 5.696 ( -7.776 -8.749 2.489) 11.967 6.432 ( -0.960 -22.490 -5.818) 23.251 7.858 ( 3.554 7.435 2.286) 8.552 8.468 ( 4.078 -2.380 3.013) 5.601 26.783 ( 0.820 49.809 -0.348) 49.817 28.373 ( -2.851 18.556 0.240) 18.776 29.931 ( -3.626 -9.998 -0.385) 10.642 32.332 ( 1.740 -51.245 -0.644) 51.279 95.124 ( 1.848 19.276 -0.957) 19.388 96.694 ( 0.782 -11.485 0.783) 11.538 ======================= Grid point 806 (416/504) ======================= q-point: (-0.36 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -13.975 7.043 4.907) 16.401 3.080 ( -1.055 7.019 6.324) 9.507 3.273 ( -0.596 -1.455 -3.449) 3.791 3.637 ( 4.427 -1.224 -6.155) 7.680 4.218 ( -3.312 10.301 -3.410) 11.345 4.503 ( -3.558 6.281 -2.774) 7.734 5.124 ( 1.689 -0.661 1.385) 2.282 5.170 ( 0.525 -4.058 -0.829) 4.175 5.537 ( -10.070 -6.319 1.683) 12.007 6.300 ( -7.101 -22.285 -10.253) 25.538 8.000 ( 8.795 6.775 5.055) 12.199 8.621 ( 9.726 -2.691 4.920) 11.227 26.798 ( 1.254 49.539 -0.792) 49.561 28.302 ( -5.009 17.564 0.267) 18.266 29.833 ( -6.831 -10.419 -0.362) 12.464 32.362 ( 2.407 -51.897 -1.400) 51.972 95.156 ( 2.803 19.138 -2.062) 19.452 96.730 ( 2.295 -12.192 1.636) 12.513 ======================= Grid point 807 (417/504) ======================= q-point: (-0.29 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -12.493 9.645 7.534) 17.489 3.074 ( -4.986 9.781 5.721) 12.380 3.236 ( 0.707 -4.271 -7.195) 8.397 3.660 ( 1.687 -1.334 -4.474) 4.964 4.115 ( -5.331 12.187 -2.545) 13.544 4.378 ( -7.188 8.081 -3.241) 11.290 5.050 ( -10.208 -2.823 2.283) 10.834 5.214 ( 2.891 -0.701 -2.118) 3.651 5.437 ( -0.477 -3.012 0.805) 3.154 6.049 ( -11.045 -21.311 -13.645) 27.610 8.221 ( 10.641 7.144 6.730) 14.477 8.876 ( 13.965 -2.984 5.825) 15.422 26.817 ( 1.604 49.040 -1.306) 49.084 28.202 ( -6.164 16.165 0.284) 17.303 29.687 ( -8.919 -10.862 -0.276) 14.057 32.397 ( 2.656 -52.938 -2.045) 53.044 95.194 ( 3.502 18.893 -3.379) 19.510 96.798 ( 3.605 -13.662 2.381) 14.329 ======================= Grid point 808 (418/504) ======================= q-point: (-0.21 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -8.562 11.503 10.430) 17.732 2.970 ( -9.909 11.854 3.764) 15.902 3.200 ( 1.603 -6.128 -9.493) 11.412 3.591 ( -7.215 1.658 -4.667) 8.751 4.022 ( -2.024 9.461 -2.466) 9.985 4.242 ( -5.082 11.074 -1.222) 12.245 4.844 ( -13.195 -1.564 2.916) 13.603 5.233 ( 0.808 -1.015 -1.522) 2.000 5.477 ( 1.451 -1.368 0.883) 2.181 5.744 ( -9.390 -17.980 -16.613) 26.220 8.461 ( 9.902 8.247 8.066) 15.202 9.183 ( 15.329 -3.048 4.832) 16.359 26.836 ( 1.723 48.430 -1.827) 48.495 28.091 ( -6.113 14.643 0.296) 15.871 29.518 ( -9.369 -11.205 -0.085) 14.606 32.428 ( 2.465 -54.186 -2.463) 54.298 95.232 ( 3.597 18.588 -4.610) 19.485 96.888 ( 4.338 -15.796 2.676) 16.598 ======================= Grid point 809 (419/504) ======================= q-point: (-0.14 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -3.581 11.447 12.488) 17.315 2.791 ( -12.138 14.835 3.804) 19.542 3.152 ( -0.508 -4.581 -9.144) 10.240 3.357 ( -11.027 4.602 -8.515) 14.672 4.004 ( 1.452 3.676 -3.689) 5.407 4.195 ( -0.618 10.839 1.801) 11.005 4.642 ( -11.198 -0.017 2.713) 11.522 5.192 ( -7.185 -5.433 0.187) 9.010 5.389 ( -4.501 -7.863 -7.290) 11.629 5.620 ( 4.002 -0.780 -8.725) 9.631 8.681 ( 7.663 9.125 9.324) 15.130 9.467 ( 12.751 -2.743 2.257) 13.237 26.852 ( 1.453 47.865 -2.199) 47.938 27.993 ( -4.885 13.301 0.306) 14.173 29.360 ( -7.825 -11.413 0.179) 13.839 32.450 ( 1.881 -55.384 -2.597) 55.477 95.256 ( 2.890 18.359 -5.282) 19.321 96.983 ( 3.976 -18.176 2.358) 18.755 ======================= Grid point 810 (420/504) ======================= q-point: (-0.07 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.488 8.836 13.066) 15.780 2.619 ( -9.438 18.338 5.568) 21.362 3.016 ( -7.186 9.791 -6.244) 13.656 3.177 ( -0.903 -6.050 -12.894) 14.272 4.014 ( 2.729 0.300 -3.887) 4.759 4.213 ( 0.153 3.391 1.982) 3.931 4.480 ( -7.467 3.659 -0.571) 8.334 5.006 ( -8.994 -10.949 -1.321) 14.231 5.347 ( 1.617 0.454 -2.988) 3.428 5.634 ( 2.225 4.188 -5.985) 7.636 8.858 ( 4.261 9.300 9.954) 14.273 9.654 ( 6.944 -2.008 -0.485) 7.245 26.857 ( 0.785 47.473 -2.209) 47.531 27.925 ( -2.720 12.404 0.305) 12.703 29.250 ( -4.403 -11.532 0.354) 12.349 32.458 ( 1.007 -56.258 -2.425) 56.320 95.261 ( 1.561 18.336 -5.052) 19.083 97.056 ( 2.346 -20.083 1.690) 20.290 ======================= Grid point 811 (421/504) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.429 6.173 3.251) 6.990 2.891 ( -0.416 -10.781 -9.620) 14.455 2.919 ( -0.071 15.249 5.737) 16.293 3.146 ( 0.462 10.023 -5.226) 11.313 4.037 ( -0.038 4.176 -6.926) 8.088 4.182 ( 0.166 0.588 -0.981) 1.156 4.436 ( 0.217 -2.207 -9.385) 9.643 4.693 ( -0.493 -12.041 -1.342) 12.126 5.490 ( 0.317 7.749 6.742) 10.276 5.702 ( -0.299 2.785 -1.363) 3.115 9.145 ( -0.143 9.804 6.934) 12.009 9.641 ( -0.190 -5.394 0.879) 5.468 27.832 ( -0.100 53.865 -1.887) 53.898 28.154 ( 0.031 13.799 0.305) 13.802 28.971 ( 0.130 -13.255 0.289) 13.259 31.304 ( -0.003 -61.184 -2.040) 61.218 95.597 ( 0.087 18.051 -3.085) 18.312 96.688 ( -0.002 -20.145 0.257) 20.147 ======================= Grid point 812 (422/504) ======================= q-point: ( 0.07 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 1.257 3.219 3.503) 4.921 2.803 ( -2.252 -7.838 -6.103) 10.186 3.021 ( 6.059 12.829 4.828) 14.987 3.190 ( 7.867 8.782 -5.500) 13.010 3.978 ( -0.666 4.626 -4.733) 6.652 4.248 ( 5.187 -0.190 0.866) 5.262 4.381 ( 1.697 -3.053 -8.957) 9.615 4.749 ( 7.236 -12.616 -0.554) 14.554 5.518 ( -2.275 7.257 6.185) 9.802 5.656 ( -3.357 4.183 -2.015) 5.729 9.137 ( -5.394 8.912 4.911) 11.517 9.583 ( -6.525 -4.499 0.442) 7.938 27.815 ( -0.587 53.735 -1.089) 53.750 28.186 ( 3.323 14.155 0.166) 14.540 29.017 ( 4.732 -13.093 0.043) 13.922 31.289 ( -0.392 -60.983 -1.338) 60.999 95.572 ( -0.874 18.452 -1.989) 18.580 96.676 ( -1.408 -20.082 0.157) 20.132 ======================= Grid point 813 (423/504) ======================= q-point: ( 0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 3.692 0.988 2.252) 4.437 2.742 ( -0.915 -5.819 -2.452) 6.380 3.155 ( 4.940 10.723 2.003) 11.975 3.340 ( 11.841 5.138 -3.238) 13.308 3.980 ( 3.299 5.229 -0.753) 6.229 4.243 ( -3.190 -0.781 -2.262) 3.988 4.495 ( 13.502 -2.984 -3.071) 14.165 4.928 ( 12.233 -12.535 0.374) 17.519 5.490 ( -4.617 5.604 3.374) 8.007 5.561 ( -5.617 4.281 -1.290) 7.179 9.022 ( -9.868 8.107 2.179) 12.955 9.422 ( -11.403 -3.796 0.485) 12.028 27.798 ( -0.667 53.856 -0.308) 53.861 28.272 ( 5.972 14.877 0.041) 16.031 29.134 ( 8.091 -12.833 -0.182) 15.171 31.272 ( -0.673 -60.399 -0.565) 60.405 95.541 ( -1.410 18.828 -0.906) 18.902 96.642 ( -2.418 -19.348 0.091) 19.499 ======================= Grid point 814 (424/504) ======================= q-point: ( 0.21 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.779 0.010 -0.872) 6.835 2.737 ( 0.701 -4.093 1.299) 4.351 3.222 ( 2.190 7.977 0.411) 8.282 3.529 ( 8.727 -0.606 -0.256) 8.752 4.072 ( 6.322 5.340 -0.187) 8.278 4.196 ( -0.200 1.608 1.751) 2.386 4.741 ( 14.608 -2.101 -1.313) 14.816 5.175 ( 13.740 -12.159 1.030) 18.377 5.404 ( -5.031 3.340 -1.283) 6.173 5.450 ( -6.455 2.097 1.614) 6.976 8.822 ( -12.634 7.599 -0.330) 14.747 9.190 ( -14.274 -3.451 0.138) 14.686 27.788 ( -0.461 54.266 0.243) 54.268 28.395 ( 7.481 15.949 -0.029) 17.617 29.295 ( 9.641 -12.681 -0.321) 15.933 31.257 ( -0.805 -59.584 0.137) 59.590 95.511 ( -1.490 19.096 -0.087) 19.154 96.594 ( -2.867 -18.153 -0.025) 18.378 ======================= Grid point 815 (425/504) ======================= q-point: ( 0.29 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 9.226 0.428 -4.823) 10.419 2.781 ( 1.952 -2.445 4.144) 5.192 3.262 ( 1.488 4.973 2.740) 5.869 3.599 ( -0.887 -5.441 -0.335) 5.523 4.193 ( 7.901 5.326 0.213) 9.531 4.277 ( 4.711 4.749 5.197) 8.471 4.967 ( 9.844 -0.151 -0.560) 9.861 5.271 ( -4.790 -0.919 -1.888) 5.230 5.345 ( -1.903 -1.312 1.568) 2.793 5.484 ( 12.725 -11.659 1.464) 17.321 8.576 ( -13.324 7.336 -2.057) 15.348 8.924 ( -14.692 -3.364 -0.660) 15.087 27.785 ( -0.154 54.869 0.513) 54.872 28.532 ( 7.529 17.201 -0.038) 18.776 29.466 ( 9.285 -12.662 -0.401) 15.707 31.246 ( -0.735 -58.735 0.639) 58.743 95.487 ( -1.204 19.231 0.363) 19.272 96.541 ( -2.750 -16.760 -0.168) 16.985 ======================= Grid point 816 (426/504) ======================= q-point: ( 0.36 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 6.316 1.505 -3.370) 7.315 2.869 ( 5.909 -0.908 0.768) 6.028 3.321 ( 1.863 2.392 5.550) 6.325 3.530 ( -5.256 -4.600 -0.101) 6.985 4.349 ( 7.469 4.195 2.038) 8.805 4.384 ( 3.388 5.927 3.040) 7.473 5.051 ( 0.429 -0.276 0.418) 0.660 5.155 ( -5.811 -2.521 -1.033) 6.418 5.412 ( 7.213 -4.076 1.069) 8.354 5.730 ( 12.126 -13.965 1.526) 18.557 8.328 ( -11.945 7.291 -2.869) 14.286 8.668 ( -12.500 -3.461 -1.163) 13.023 27.789 ( 0.130 55.496 0.524) 55.499 28.657 ( 6.063 18.379 0.004) 19.353 29.614 ( 7.242 -12.722 -0.459) 14.646 31.241 ( -0.413 -58.022 0.838) 58.030 95.473 ( -0.675 19.248 0.461) 19.265 96.495 ( -2.178 -15.436 -0.255) 15.591 ======================= Grid point 817 (427/504) ======================= q-point: ( 0.43 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 2.131 2.706 1.314) 3.686 2.971 ( 6.245 -0.489 -5.515) 8.346 3.383 ( -1.490 0.749 6.404) 6.618 3.463 ( -0.140 -0.694 1.095) 1.304 4.435 ( 1.990 6.221 -1.145) 6.631 4.469 ( 3.851 3.115 2.438) 5.521 5.041 ( -1.561 -3.297 1.126) 3.818 5.077 ( -1.892 -3.348 -0.087) 3.847 5.547 ( 5.583 -4.418 1.517) 7.279 5.925 ( 8.373 -15.781 0.568) 17.874 8.122 ( -8.484 7.504 -2.450) 11.589 8.472 ( -8.147 -3.743 -0.750) 8.996 27.796 ( 0.347 55.979 0.323) 55.981 28.743 ( 3.325 19.220 0.083) 19.505 29.713 ( 3.964 -12.811 -0.487) 13.419 31.243 ( 0.149 -57.541 0.669) 57.545 95.469 ( 0.002 19.170 0.267) 19.172 96.462 ( -1.319 -14.392 -0.215) 14.454 ======================= Grid point 818 (428/504) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -3.444 4.012 0.910) 5.365 3.019 ( 4.250 -0.843 -5.070) 6.669 3.371 ( -2.858 3.059 5.967) 7.289 3.526 ( 4.201 0.368 0.164) 4.220 4.444 ( 0.540 6.026 -2.073) 6.395 4.539 ( 3.788 2.293 -0.681) 4.480 5.034 ( 0.107 -3.405 1.445) 3.700 5.066 ( -0.018 -3.561 0.279) 3.572 5.610 ( -0.196 -4.681 1.677) 4.976 6.029 ( 3.274 -17.935 -1.473) 18.290 8.003 ( -3.167 7.843 -0.496) 8.473 8.375 ( -2.389 -4.146 0.702) 4.836 27.805 ( 0.511 56.189 -0.035) 56.192 28.773 ( -0.144 19.507 0.178) 19.509 29.747 ( 0.053 -12.889 -0.454) 12.897 31.255 ( 0.815 -57.328 0.141) 57.334 95.477 ( 0.773 19.014 -0.175) 19.030 96.446 ( -0.322 -13.767 -0.025) 13.771 ======================= Grid point 819 (429/504) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -7.860 6.428 -0.273) 10.158 3.068 ( 3.938 -1.600 -3.154) 5.293 3.362 ( -2.873 5.477 5.612) 8.352 3.586 ( 3.485 -0.389 -3.184) 4.737 4.432 ( 0.000 6.799 -2.782) 7.346 4.600 ( 3.515 2.275 -2.044) 4.659 5.058 ( 1.729 -1.498 0.351) 2.315 5.077 ( 1.348 -3.656 0.041) 3.897 5.561 ( -6.246 -4.656 1.381) 7.912 6.015 ( -2.616 -19.739 -4.308) 20.372 8.009 ( 3.134 7.987 2.534) 8.946 8.400 ( 3.802 -4.526 2.854) 6.564 27.814 ( 0.663 56.070 -0.500) 56.076 28.741 ( -3.592 19.165 0.258) 19.500 29.709 ( -3.850 -12.917 -0.355) 13.483 31.273 ( 1.366 -57.415 -0.635) 57.434 95.495 ( 1.592 18.781 -0.849) 18.868 96.450 ( 0.711 -13.641 0.293) 13.663 ======================= Grid point 820 (430/504) ======================= q-point: (-0.36 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -8.941 9.918 0.445) 13.360 3.101 ( 2.716 -4.114 -5.504) 7.388 3.343 ( -3.460 7.443 5.281) 9.760 3.613 ( 2.789 -1.458 -4.653) 5.617 4.404 ( -1.017 8.902 -3.241) 9.528 4.607 ( -1.279 4.024 -2.937) 5.143 5.085 ( 0.211 -1.523 0.133) 1.543 5.131 ( 5.052 -1.492 -1.393) 5.448 5.424 ( -8.556 -4.839 0.937) 9.875 5.878 ( -8.052 -20.552 -7.094) 23.185 8.146 ( 8.651 7.986 5.298) 12.910 8.548 ( 9.353 -4.801 5.020) 11.650 27.822 ( 0.841 55.645 -1.024) 55.661 28.652 ( -6.286 18.289 0.308) 19.342 29.607 ( -7.132 -12.879 -0.213) 14.723 31.294 ( 1.640 -57.830 -1.470) 57.872 95.521 ( 2.357 18.473 -1.735) 18.703 96.475 ( 1.693 -14.061 0.667) 14.178 ======================= Grid point 821 (431/504) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -7.711 12.760 1.623) 14.997 3.085 ( 1.367 -6.517 -9.295) 11.434 3.303 ( -4.920 8.732 3.976) 10.782 3.624 ( 1.276 -2.409 -3.502) 4.438 4.337 ( -3.390 10.760 -5.589) 12.590 4.530 ( -3.900 7.110 -2.952) 8.630 5.018 ( -8.737 -0.307 -0.056) 8.743 5.199 ( 2.547 -0.569 -0.809) 2.732 5.357 ( 2.209 -4.913 0.984) 5.476 5.642 ( -11.042 -20.216 -9.547) 24.935 8.375 ( 11.462 8.381 6.825) 15.754 8.796 ( 13.362 -5.143 6.371) 15.672 27.830 ( 1.044 55.034 -1.562) 55.066 28.526 ( -7.710 17.087 0.331) 18.748 29.456 ( -9.223 -12.803 -0.050) 15.779 31.311 ( 1.609 -58.544 -2.176) 58.607 95.554 ( 2.864 18.118 -2.731) 18.545 96.519 ( 2.484 -15.038 0.963) 15.272 ======================= Grid point 822 (432/504) ======================= q-point: (-0.21 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -5.036 13.840 2.679) 14.970 3.032 ( 1.048 -7.481 -11.443) 13.712 3.215 ( -7.271 9.607 2.590) 12.323 3.588 ( -3.665 -1.839 -2.791) 4.960 4.210 ( -4.302 10.207 -8.306) 13.845 4.449 ( -3.194 9.469 -2.671) 10.344 4.819 ( -10.991 -1.397 -1.414) 11.169 5.210 ( -4.396 -3.120 1.226) 5.529 5.350 ( -6.469 -10.560 -4.215) 13.082 5.494 ( 6.609 -6.397 -4.120) 10.078 8.633 ( 11.233 9.274 7.499) 16.383 9.097 ( 14.549 -5.675 6.127) 16.775 27.838 ( 1.188 54.452 -2.050) 54.503 28.388 ( -7.629 15.788 0.348) 17.538 29.284 ( -9.637 -12.768 0.134) 15.997 31.321 ( 1.338 -59.434 -2.623) 59.507 95.584 ( 2.878 17.806 -3.604) 18.393 96.575 ( 2.840 -16.479 1.028) 16.753 ======================= Grid point 823 (433/504) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -2.003 12.746 3.195) 13.292 2.971 ( 0.791 -5.841 -10.856) 12.353 3.090 ( -7.961 9.038 2.202) 12.244 3.444 ( -8.850 2.546 -4.566) 10.279 4.107 ( -0.915 7.226 -7.061) 10.144 4.358 ( -4.758 6.922 -3.391) 9.058 4.640 ( -5.875 -1.725 -5.796) 8.431 4.993 ( -13.392 -13.231 -2.525) 18.994 5.346 ( 3.048 2.828 1.518) 4.427 5.605 ( 6.014 -1.822 -0.676) 6.320 8.870 ( 8.817 10.104 7.880) 15.554 9.379 ( 12.035 -6.107 4.424) 14.203 27.843 ( 1.098 54.120 -2.377) 54.183 28.265 ( -6.074 14.633 0.371) 15.848 29.123 ( -8.062 -12.884 0.317) 15.201 31.322 ( 0.925 -60.302 -2.747) 60.372 95.605 ( 2.297 17.658 -4.046) 18.260 96.631 ( 2.508 -18.094 0.820) 18.285 ======================= Grid point 824 (434/504) ======================= q-point: (-0.07 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.085 9.774 3.156) 10.272 2.916 ( -0.447 1.905 -4.893) 5.269 2.978 ( -4.421 2.415 -1.502) 5.257 3.251 ( -7.308 7.307 -5.449) 11.683 4.066 ( 1.102 4.746 -6.477) 8.105 4.247 ( -4.876 2.898 -2.028) 6.024 4.517 ( -1.677 -2.111 -10.594) 10.932 4.780 ( -8.034 -11.877 -1.299) 14.398 5.422 ( 2.332 6.451 5.237) 8.630 5.684 ( 3.046 0.670 -0.645) 3.185 9.050 ( 4.850 10.316 7.838) 13.834 9.573 ( 6.553 -6.040 2.329) 9.211 27.843 ( 0.611 54.016 -2.367) 54.071 28.181 ( -3.330 13.905 0.378) 14.303 29.009 ( -4.565 -13.132 0.400) 13.908 31.316 ( 0.455 -60.938 -2.539) 60.993 95.609 ( 1.259 17.749 -3.858) 18.207 96.672 ( 1.456 -19.440 0.494) 19.501 ======================= Grid point 825 (435/504) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 0.177 8.197 -3.863) 9.063 2.679 ( 0.001 -10.293 -7.884) 12.965 3.160 ( 0.001 9.084 2.867) 9.526 3.252 ( 0.179 0.231 -1.397) 1.427 4.161 ( 1.342 8.045 -7.046) 10.779 4.265 ( -1.383 7.899 -3.886) 8.911 4.328 ( 1.348 -8.104 -8.674) 11.947 4.460 ( -1.240 -11.506 -3.499) 12.090 5.630 ( 0.072 6.107 6.104) 8.635 5.710 ( -0.101 -1.930 2.924) 3.505 9.335 ( -0.181 9.571 4.947) 10.776 9.508 ( -0.203 -8.124 3.048) 8.680 28.424 ( -0.014 14.425 0.319) 14.428 28.702 ( -0.068 -14.013 0.363) 14.018 28.934 ( 0.155 58.798 -2.045) 58.833 30.108 ( 0.004 -61.750 -2.056) 61.784 95.947 ( 0.070 18.243 -1.959) 18.348 96.308 ( 0.037 -19.066 -0.810) 19.083 ======================= Grid point 826 (436/504) ======================= q-point: ( 0.07 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.742 5.994 -1.913) 6.336 2.629 ( -0.330 -8.659 -4.846) 9.929 3.229 ( 5.019 7.584 2.442) 9.417 3.295 ( 5.340 1.188 -1.933) 5.802 4.109 ( -0.548 8.072 -6.626) 10.458 4.253 ( -1.008 -4.554 -6.061) 7.648 4.331 ( 7.641 3.989 -2.700) 9.033 4.507 ( 7.487 -11.786 -0.621) 13.976 5.640 ( -3.193 4.803 4.538) 7.339 5.693 ( -3.584 -0.478 1.600) 3.954 9.309 ( -5.802 8.727 3.457) 11.035 9.467 ( -6.214 -7.293 2.055) 9.800 28.461 ( 3.757 14.654 0.239) 15.130 28.728 ( 2.432 -8.152 0.263) 8.512 28.938 ( 1.810 52.738 -1.444) 52.789 30.096 ( -0.002 -61.562 -1.355) 61.577 95.930 ( -0.756 18.581 -1.295) 18.642 96.295 ( -0.899 -19.236 -0.552) 19.265 ======================= Grid point 827 (437/504) ======================= q-point: ( 0.14 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 2.757 3.920 -0.355) 4.805 2.612 ( 1.116 -6.567 -1.719) 6.880 3.336 ( 4.133 6.794 1.102) 8.028 3.398 ( 6.953 0.301 -1.449) 7.109 4.088 ( 2.264 5.544 -2.557) 6.512 4.188 ( -0.748 -4.482 -4.447) 6.358 4.519 ( 13.291 5.630 -0.537) 14.444 4.692 ( 12.560 -11.313 0.380) 16.908 5.579 ( -6.102 3.252 2.231) 7.265 5.607 ( -6.552 0.433 0.595) 6.593 9.179 ( -10.396 7.911 1.648) 13.167 9.320 ( -10.970 -6.489 1.124) 12.795 28.559 ( 6.801 15.126 0.181) 16.585 28.782 ( 3.068 12.269 0.089) 12.647 28.986 ( 4.508 32.019 -0.761) 32.344 30.089 ( -0.015 -61.111 -0.586) 61.113 95.904 ( -1.265 18.769 -0.616) 18.822 96.270 ( -1.539 -19.023 -0.266) 19.087 ======================= Grid point 828 (438/504) ======================= q-point: ( 0.21 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 5.419 2.233 0.252) 5.867 2.648 ( 3.189 -4.420 0.807) 5.510 3.378 ( 0.470 7.376 -0.005) 7.391 3.489 ( 2.710 -3.831 -0.162) 4.695 4.156 ( 5.732 3.146 -0.300) 6.545 4.197 ( 3.694 -1.181 1.138) 4.042 4.778 ( 15.123 5.735 -0.177) 16.175 4.945 ( 14.563 -10.866 0.749) 18.186 5.458 ( -7.650 1.923 -0.467) 7.902 5.474 ( -8.346 0.263 0.547) 8.368 8.969 ( -13.162 7.310 -0.171) 15.057 9.098 ( -13.790 -5.880 -0.026) 14.991 28.700 ( 8.543 15.858 0.138) 18.013 28.831 ( 2.294 37.068 0.040) 37.139 29.089 ( 7.128 6.831 -0.317) 9.878 30.087 ( -0.080 -60.553 0.126) 60.553 95.877 ( -1.397 18.771 -0.095) 18.823 96.238 ( -1.787 -18.494 -0.066) 18.580 ======================= Grid point 829 (439/504) ======================= q-point: ( 0.29 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 7.667 1.099 -0.474) 7.760 2.734 ( 5.029 -2.193 2.283) 5.942 3.372 ( -1.312 6.081 1.803) 6.477 3.489 ( -2.354 -5.915 0.864) 6.425 4.278 ( 7.268 3.400 1.446) 8.153 4.317 ( 6.271 -0.343 3.983) 7.437 5.028 ( 11.034 6.136 -0.358) 12.630 5.182 ( 7.094 -8.497 0.072) 11.069 5.329 ( -3.986 -0.089 -0.664) 4.042 5.346 ( -2.445 -2.263 0.377) 3.353 8.716 ( -13.732 6.898 -1.664) 15.457 8.837 ( -14.262 -5.450 -1.230) 15.318 28.854 ( 6.394 27.682 -0.223) 28.411 28.873 ( 4.037 39.407 0.466) 39.616 29.224 ( 7.674 -6.770 -0.226) 10.236 30.087 ( -0.160 -60.118 0.671) 60.122 95.854 ( -1.199 18.605 0.191) 18.644 96.207 ( -1.654 -17.772 0.013) 17.849 ======================= Grid point 830 (440/504) ======================= q-point: ( 0.36 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 6.787 1.324 -0.970) 6.983 2.854 ( 6.959 -0.891 0.234) 7.019 3.373 ( -0.776 3.074 4.875) 5.815 3.443 ( -3.425 -4.170 2.957) 6.154 4.417 ( 6.018 2.784 2.310) 7.022 4.444 ( 4.636 0.431 2.816) 5.442 5.075 ( -3.493 2.161 -0.638) 4.157 5.114 ( -6.803 -1.794 -0.851) 7.087 5.384 ( 8.586 1.841 0.635) 8.804 5.497 ( 10.990 -9.505 0.694) 14.547 8.466 ( -12.082 6.727 -2.457) 14.045 8.583 ( -12.306 -5.284 -1.901) 13.527 28.893 ( 1.437 55.440 -0.077) 55.459 29.008 ( 7.060 18.420 0.355) 19.729 29.350 ( 6.245 -12.776 -0.335) 14.224 30.090 ( -0.097 -59.987 0.947) 59.994 95.838 ( -0.761 18.326 0.247) 18.344 96.180 ( -1.224 -17.004 0.003) 17.048 ======================= Grid point 831 (441/504) ======================= q-point: ( 0.43 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 4.068 2.258 -1.509) 4.891 2.957 ( 5.102 -1.145 -3.713) 6.414 3.406 ( -0.755 1.607 6.720) 6.950 3.440 ( 0.729 -1.665 5.365) 5.664 4.508 ( 2.818 1.774 -0.137) 3.333 4.515 ( 2.215 1.248 1.143) 2.787 5.006 ( -3.082 -0.361 0.552) 3.152 5.023 ( -2.525 -1.957 0.446) 3.225 5.532 ( 6.141 3.061 0.464) 6.877 5.666 ( 7.000 -10.514 0.024) 12.631 8.262 ( -8.349 6.862 -2.057) 11.001 8.383 ( -8.247 -5.472 -1.481) 10.008 28.914 ( 0.983 57.644 -0.236) 57.653 29.112 ( 3.943 19.571 0.467) 19.970 29.437 ( 3.494 -15.439 -0.503) 15.837 30.098 ( 0.283 -60.056 0.839) 60.062 95.831 ( -0.175 18.002 0.119) 18.003 96.164 ( -0.604 -16.329 -0.047) 16.340 ======================= Grid point 832 (442/504) ======================= q-point: (-0.50 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -0.177 3.005 -2.542) 3.940 2.993 ( 2.835 -1.869 -4.474) 5.616 3.446 ( -0.037 4.125 6.482) 7.683 3.510 ( 2.376 -2.163 3.881) 5.038 4.529 ( 1.194 2.768 -1.784) 3.503 4.558 ( 2.696 -0.300 -1.083) 2.921 4.994 ( 0.730 -0.500 1.236) 1.520 5.011 ( 0.290 -2.076 0.659) 2.197 5.593 ( 0.260 3.261 0.115) 3.273 5.738 ( 1.298 -11.570 -1.046) 11.690 8.150 ( -2.946 7.185 -0.209) 7.769 8.277 ( -2.672 -5.884 0.198) 6.465 28.924 ( 0.421 57.366 -0.516) 57.370 29.150 ( -0.199 20.567 0.610) 20.577 29.466 ( 0.175 -16.015 -0.585) 16.027 30.112 ( 0.875 -59.966 0.282) 59.973 95.833 ( 0.495 17.683 -0.158) 17.691 96.159 ( 0.113 -15.847 -0.105) 15.847 ======================= Grid point 833 (443/504) ======================= q-point: (-0.43 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -2.920 6.254 -2.864) 7.473 3.003 ( 1.443 -4.681 -4.135) 6.410 3.478 ( -0.687 5.605 4.293) 7.093 3.560 ( 1.384 -2.641 0.330) 3.000 4.543 ( 2.035 4.676 -2.401) 5.637 4.607 ( 3.694 -1.669 -1.991) 4.516 5.033 ( 2.139 -0.857 -0.685) 2.404 5.034 ( 2.978 -0.926 0.019) 3.118 5.541 ( -5.979 3.170 -0.156) 6.770 5.695 ( -4.846 -12.673 -2.164) 13.740 8.161 ( 3.259 7.491 2.613) 8.577 8.295 ( 3.521 -6.272 2.707) 7.685 28.921 ( -0.347 54.431 -0.790) 54.438 29.114 ( -4.152 21.283 0.658) 21.694 29.436 ( -3.038 -14.270 -0.563) 14.601 30.131 ( 1.275 -59.700 -0.594) 59.717 95.846 ( 1.190 17.407 -0.567) 17.457 96.166 ( 0.856 -15.624 -0.170) 15.648 ======================= Grid point 834 (444/504) ======================= q-point: (-0.36 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -4.043 9.872 -2.919) 11.060 2.983 ( -0.171 -7.671 -5.144) 9.237 3.482 ( -1.268 6.092 1.830) 6.486 3.571 ( 0.767 -3.192 -2.095) 3.895 4.559 ( 1.664 6.788 -3.685) 7.901 4.640 ( 1.468 -1.093 -3.247) 3.728 5.078 ( 3.204 0.606 -1.260) 3.496 5.101 ( 5.481 -1.523 -2.033) 6.042 5.387 ( -10.425 2.233 0.117) 10.662 5.539 ( -10.263 -13.392 -2.729) 17.092 8.300 ( 8.839 7.677 5.267) 12.838 8.438 ( 9.078 -6.489 5.138) 12.285 28.898 ( -1.878 45.584 -0.792) 45.630 29.019 ( -6.341 24.696 0.429) 25.501 29.353 ( -5.551 -9.508 -0.601) 11.026 30.148 ( 1.263 -59.638 -1.509) 59.671 95.868 ( 1.819 17.206 -1.091) 17.337 96.187 ( 1.540 -15.706 -0.262) 15.784 ======================= Grid point 835 (445/504) ======================= q-point: (-0.29 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -3.886 12.211 -3.402) 13.258 2.928 ( -1.036 -9.551 -7.088) 11.939 3.456 ( -2.468 6.707 0.108) 7.147 3.561 ( -0.266 -4.232 -2.315) 4.831 4.529 ( -0.977 8.369 -8.323) 11.843 4.616 ( -0.437 0.382 -5.410) 5.441 5.055 ( -8.374 5.139 -1.985) 10.024 5.193 ( 3.715 -2.384 -1.799) 4.766 5.257 ( -0.913 -4.591 0.993) 4.786 5.314 ( -9.756 -10.449 -0.638) 14.310 8.536 ( 12.148 8.010 6.777) 16.052 8.680 ( 12.756 -6.784 6.630) 15.896 28.823 ( -6.579 23.441 0.157) 24.347 28.920 ( -3.987 36.676 -0.561) 36.896 29.235 ( -6.655 0.094 -0.891) 6.715 30.155 ( 0.954 -59.970 -2.241) 60.020 95.895 ( 2.234 17.123 -1.675) 17.349 96.217 ( 2.038 -16.119 -0.410) 16.252 ======================= Grid point 836 (446/504) ======================= q-point: (-0.21 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -2.618 12.812 -4.160) 13.722 2.855 ( -0.646 -10.414 -8.955) 13.750 3.392 ( -4.708 8.067 0.064) 9.341 3.520 ( -3.062 -5.125 -1.456) 6.145 4.416 ( -2.940 10.441 -12.119) 16.264 4.553 ( -0.999 -1.190 -9.398) 9.525 4.821 ( -13.224 4.253 -2.082) 14.046 5.003 ( -14.329 -12.983 -2.423) 19.487 5.313 ( 5.246 3.235 3.227) 6.957 5.395 ( 7.279 -4.696 3.040) 9.180 8.810 ( 12.408 8.794 7.119) 16.792 8.969 ( 13.524 -7.484 6.755) 16.869 28.685 ( -8.257 15.915 0.531) 17.937 28.855 ( -3.306 26.016 -0.593) 26.232 29.112 ( -5.745 17.871 -1.524) 18.834 30.151 ( 0.569 -60.564 -2.682) 60.626 95.923 ( 2.265 17.201 -2.193) 17.488 96.252 ( 2.177 -16.831 -0.616) 16.982 ======================= Grid point 837 (447/504) ======================= q-point: (-0.14 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 912 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.920 11.978 -4.857) 12.957 2.787 ( 0.400 -10.727 -9.959) 14.642 3.292 ( -6.583 9.345 1.436) 11.520 3.428 ( -6.008 -4.216 -1.101) 7.422 4.283 ( -2.166 10.473 -11.289) 15.551 4.448 ( -2.570 -2.184 -10.689) 11.208 4.591 ( -8.930 1.877 -5.749) 10.785 4.747 ( -11.874 -11.239 -1.759) 16.444 5.440 ( 4.934 5.812 5.708) 9.524 5.543 ( 6.047 -4.464 3.979) 8.504 9.063 ( 9.927 9.664 6.771) 15.420 9.238 ( 11.034 -8.274 5.761) 14.947 28.550 ( -6.769 14.801 0.495) 16.283 28.787 ( -3.845 3.979 -0.006) 5.534 29.016 ( -3.362 40.725 -2.215) 40.923 30.139 ( 0.257 -61.178 -2.790) 61.242 95.944 ( 1.832 17.455 -2.476) 17.725 96.284 ( 1.834 -17.705 -0.823) 17.819 ======================= Grid point 838 (448/504) ======================= q-point: (-0.07 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.175 10.276 -4.973) 11.418 2.732 ( 0.918 -10.809 -9.710) 14.558 3.193 ( -5.368 9.737 2.715) 11.446 3.311 ( -5.218 -1.777 -1.230) 5.648 4.194 ( -0.251 8.548 -7.851) 11.609 4.340 ( -2.010 1.525 -7.024) 7.463 4.416 ( -4.534 -2.459 -9.585) 10.884 4.563 ( -6.630 -10.368 -3.521) 12.801 5.557 ( 2.989 6.624 6.639) 9.843 5.657 ( 3.313 -3.411 3.880) 6.138 9.248 ( 5.420 9.989 6.032) 12.866 9.430 ( 6.009 -8.552 4.337) 11.316 28.457 ( -3.776 14.459 0.409) 14.949 28.726 ( -2.707 -10.329 0.326) 10.683 28.959 ( -1.302 55.174 -2.383) 55.240 30.123 ( 0.073 -61.612 -2.565) 61.666 95.953 ( 1.022 17.834 -2.399) 18.024 96.304 ( 1.046 -18.519 -0.914) 18.571 ======================= Grid point 923 (449/504) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.978 ( -0.000 0.000 -0.000) 0.000 3.572 ( -0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.350 ( -0.000 0.000 0.000) 0.000 6.585 ( -0.000 0.000 0.000) 0.000 8.770 ( -0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 -0.000) 0.000 24.757 ( 0.000 0.000 0.000) 0.000 27.389 ( -0.000 0.000 0.000) 0.000 29.697 ( 0.000 0.000 0.000) 0.000 34.945 ( -0.000 0.000 0.000) 0.000 94.128 ( 0.000 0.000 0.000) 0.000 98.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 925 (450/504) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 22.648 0.000 -2.175) 22.752 2.302 ( 7.321 0.000 -7.610) 10.560 2.346 ( 18.649 0.000 -1.880) 18.744 3.012 ( 1.057 0.000 6.646) 6.730 3.529 ( 2.044 0.000 -15.009) 15.147 4.084 ( -15.884 0.000 6.189) 17.047 4.661 ( 15.263 0.000 2.367) 15.446 4.929 ( -1.787 0.000 -0.436) 1.840 5.417 ( 6.918 0.000 -0.685) 6.952 6.574 ( -2.761 0.000 5.307) 5.982 8.718 ( -1.689 0.000 -8.202) 8.374 8.832 ( -3.003 0.000 7.599) 8.171 24.751 ( -0.515 0.000 -0.374) 0.637 27.396 ( 0.755 0.000 -0.012) 0.755 29.733 ( 3.825 0.000 0.109) 3.827 34.923 ( -2.765 0.000 0.694) 2.851 94.127 ( -0.125 0.000 0.029) 0.129 98.180 ( -6.976 0.000 -0.036) 6.976 ======================= Grid point 926 (451/504) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 30.648 0.000 -1.827) 30.702 2.365 ( 9.767 0.000 -13.470) 16.639 2.713 ( 18.214 0.000 -7.026) 19.522 3.099 ( 1.803 0.000 9.995) 10.157 3.522 ( 12.476 0.000 -16.097) 20.366 3.888 ( -10.930 0.000 8.247) 13.693 4.875 ( -2.516 0.000 -0.819) 2.646 4.936 ( 12.000 0.000 3.344) 12.458 5.546 ( 8.922 0.000 -6.188) 10.858 6.589 ( -1.830 0.000 13.265) 13.391 8.608 ( -4.080 0.000 -8.321) 9.267 8.811 ( -4.988 0.000 6.848) 8.472 24.734 ( -0.925 0.000 -0.662) 1.138 27.415 ( 1.342 0.000 -0.017) 1.342 29.831 ( 6.516 0.000 0.665) 6.550 34.858 ( -4.956 0.000 1.126) 5.083 94.125 ( -0.151 0.000 0.064) 0.164 98.003 ( -11.724 0.000 -1.179) 11.783 ======================= Grid point 927 (452/504) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 26.875 0.000 -3.385) 27.088 2.474 ( 13.234 0.000 -13.182) 18.679 2.841 ( 8.857 0.000 -14.788) 17.238 3.204 ( 1.912 0.000 9.919) 10.101 3.649 ( -4.538 0.000 8.178) 9.352 3.932 ( 19.834 0.000 -6.631) 20.913 4.810 ( -3.173 0.000 -1.223) 3.401 5.165 ( 10.236 0.000 3.905) 10.955 5.646 ( 9.960 0.000 -11.817) 15.455 6.702 ( 1.312 0.000 19.301) 19.345 8.458 ( -6.609 0.000 -7.265) 9.822 8.747 ( -6.498 0.000 4.705) 8.023 24.710 ( -1.148 0.000 -0.807) 1.403 27.443 ( 1.642 0.000 -0.021) 1.642 29.966 ( 7.372 0.000 1.394) 7.502 34.765 ( -6.100 0.000 1.243) 6.225 94.123 ( -0.073 0.000 0.110) 0.132 97.762 ( -12.904 0.000 -2.809) 13.207 ======================= Grid point 928 (453/504) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 13.217 0.000 -11.841) 17.746 2.721 ( 12.497 0.000 -18.396) 22.239 3.051 ( 18.687 0.000 2.246) 18.821 3.296 ( 1.266 0.000 7.889) 7.990 3.568 ( -10.311 0.000 12.962) 16.562 4.251 ( 16.294 0.000 -8.133) 18.211 4.768 ( 1.213 0.000 -3.167) 3.391 5.355 ( 7.010 0.000 5.306) 8.792 5.796 ( 17.094 0.000 -11.876) 20.815 6.876 ( 2.653 0.000 18.955) 19.140 8.268 ( -9.546 0.000 -5.586) 11.060 8.646 ( -7.089 0.000 2.146) 7.406 24.684 ( -1.144 0.000 -0.787) 1.388 27.472 ( 1.614 0.000 -0.028) 1.614 30.104 ( 6.544 0.000 1.713) 6.765 34.663 ( -5.991 0.000 1.140) 6.098 94.124 ( 0.030 0.000 0.149) 0.151 97.520 ( -11.026 0.000 -3.573) 11.590 ======================= Grid point 929 (454/504) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 12.219 0.000 -13.440) 18.164 2.829 ( 12.972 0.000 -13.325) 18.596 3.338 ( 4.758 0.000 5.564) 7.321 3.356 ( 1.147 0.000 5.794) 5.907 3.491 ( -5.762 0.000 12.873) 14.104 4.366 ( 2.479 0.000 -3.858) 4.586 4.829 ( 8.899 0.000 -7.291) 11.504 5.488 ( 4.018 0.000 4.759) 6.229 6.088 ( 21.363 0.000 -7.956) 22.797 7.049 ( 3.624 0.000 14.922) 15.356 8.035 ( -12.630 0.000 -3.816) 13.194 8.532 ( -6.162 0.000 0.117) 6.163 24.660 ( -0.915 0.000 -0.617) 1.103 27.499 ( 1.280 0.000 -0.030) 1.280 30.218 ( 4.706 0.000 1.443) 4.922 34.572 ( -4.725 0.000 0.884) 4.807 94.126 ( 0.081 0.000 0.148) 0.168 97.327 ( -7.622 0.000 -3.058) 8.213 ======================= Grid point 930 (455/504) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 12.246 0.000 -12.621) 17.586 2.967 ( 8.532 0.000 -5.993) 10.427 3.317 ( -9.506 0.000 10.726) 14.332 3.358 ( -1.771 0.000 2.811) 3.322 3.574 ( 3.030 0.000 4.455) 5.388 4.352 ( -1.060 0.000 -0.851) 1.359 4.945 ( 7.797 0.000 -5.507) 9.546 5.569 ( 2.039 0.000 2.733) 3.410 6.386 ( 14.519 0.000 -4.153) 15.102 7.225 ( 6.877 0.000 9.529) 11.751 7.768 ( -13.992 0.000 -3.005) 14.311 8.439 ( -3.670 0.000 -0.538) 3.709 24.643 ( -0.507 0.000 -0.337) 0.609 27.517 ( 0.706 0.000 -0.019) 0.706 30.290 ( 2.425 0.000 0.794) 2.552 34.510 ( -2.593 0.000 0.490) 2.639 94.128 ( 0.063 0.000 0.092) 0.111 97.207 ( -3.817 0.000 -1.698) 4.177 ======================= Grid point 931 (456/504) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 -0.000) 0.000 3.254 ( -0.000 0.000 -0.000) 0.000 3.345 ( -0.000 0.000 0.000) 0.000 3.616 ( -0.000 0.000 0.000) 0.000 4.337 ( -0.000 0.000 0.000) 0.000 5.001 ( -0.000 0.000 0.000) 0.000 5.597 ( -0.000 0.000 0.000) 0.000 6.508 ( -0.000 0.000 0.000) 0.000 7.389 ( -0.000 0.000 -0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 8.402 ( -0.000 0.000 0.000) 0.000 24.638 ( -0.000 0.000 0.000) 0.000 27.523 ( -0.000 0.000 0.000) 0.000 30.315 ( -0.000 0.000 0.000) 0.000 34.488 ( -0.000 0.000 0.000) 0.000 94.129 ( -0.000 0.000 0.000) 0.000 97.167 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 939 (457/504) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.000 15.156 0.000) 15.156 2.192 ( 0.000 6.002 0.000) 6.002 2.353 ( 0.000 5.041 0.000) 5.041 2.965 ( -0.000 -1.056 -0.000) 1.056 3.650 ( -0.000 8.087 0.000) 8.087 4.360 ( -0.000 -1.245 0.000) 1.245 4.401 ( 0.000 4.686 0.000) 4.686 4.994 ( 0.000 4.746 0.000) 4.746 5.322 ( -0.000 -2.896 0.000) 2.896 6.257 ( -0.000 -29.061 0.000) 29.061 8.834 ( 0.000 1.007 0.000) 1.007 8.990 ( 0.000 18.620 -0.000) 18.620 24.909 ( -0.000 15.400 0.000) 15.400 27.424 ( -0.000 3.590 0.000) 3.590 29.665 ( 0.000 -3.302 0.000) 3.302 34.768 ( -0.000 -18.185 0.000) 18.185 94.230 ( 0.000 10.079 0.000) 10.079 98.144 ( 0.000 -10.069 0.000) 10.069 ======================= Grid point 941 (458/504) ======================= q-point: ( 0.07 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 19.914 12.565 -2.090) 23.640 2.341 ( 6.192 3.208 -9.459) 11.751 2.396 ( 17.688 5.042 -1.765) 18.478 3.005 ( 1.128 -0.411 7.809) 7.900 3.618 ( 1.804 8.872 -12.105) 15.117 4.100 ( -15.541 1.293 4.459) 16.220 4.674 ( 14.895 1.284 1.129) 14.993 4.981 ( -1.438 5.235 0.559) 5.458 5.390 ( 6.926 -2.839 -0.769) 7.525 6.263 ( -0.972 -27.740 5.671) 28.331 8.766 ( -3.199 1.979 -8.826) 9.594 8.996 ( -3.253 16.313 8.099) 18.501 24.903 ( -0.600 15.394 -0.186) 15.407 27.433 ( 0.904 3.730 -0.009) 3.838 29.701 ( 3.856 -3.283 0.075) 5.065 34.746 ( -2.603 -18.040 0.680) 18.240 94.227 ( -0.364 9.984 0.357) 9.997 98.084 ( -6.429 -9.620 -0.171) 11.572 ======================= Grid point 942 (459/504) ======================= q-point: ( 0.14 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 27.461 7.140 -2.758) 28.508 2.366 ( 8.644 0.232 -15.703) 17.927 2.772 ( 20.161 5.808 -4.062) 21.370 3.100 ( 1.913 0.234 10.728) 10.900 3.605 ( 9.243 8.064 -14.210) 18.772 3.898 ( -10.827 0.935 6.777) 12.807 4.888 ( 5.260 0.838 -2.534) 5.899 4.991 ( 4.750 5.657 4.479) 8.639 5.513 ( 8.235 -3.515 -6.377) 10.993 6.332 ( 1.740 -23.231 14.266) 27.317 8.620 ( -5.572 0.972 -9.697) 11.226 8.966 ( -6.382 13.665 7.836) 16.996 24.885 ( -1.075 15.365 -0.366) 15.407 27.456 ( 1.615 4.125 -0.012) 4.430 29.799 ( 6.605 -3.224 0.548) 7.371 34.686 ( -4.665 -17.627 1.122) 18.269 94.222 ( -0.575 9.700 0.588) 9.735 97.920 ( -10.838 -8.392 -1.268) 13.766 ======================= Grid point 943 (460/504) ======================= q-point: ( 0.21 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 15.770 -5.058 -13.728) 21.511 2.515 ( 20.981 4.657 -6.688) 22.508 2.980 ( 10.313 11.791 -8.903) 18.018 3.208 ( 1.745 0.249 9.681) 9.840 3.690 ( -4.661 4.103 7.356) 9.626 3.910 ( 16.854 -1.639 -6.621) 18.182 4.879 ( -0.989 6.348 -1.617) 6.625 5.174 ( 9.197 0.972 3.828) 10.009 5.596 ( 8.955 -5.077 -11.244) 15.244 6.521 ( 5.250 -16.645 19.784) 26.383 8.439 ( -7.473 -0.939 -8.532) 11.381 8.875 ( -8.634 10.681 5.254) 14.705 24.860 ( -1.320 15.304 -0.502) 15.369 27.489 ( 1.991 4.707 -0.014) 5.111 29.936 ( 7.554 -3.087 1.192) 8.247 34.599 ( -5.745 -17.022 1.265) 18.010 94.216 ( -0.578 9.257 0.651) 9.298 97.695 ( -12.002 -6.766 -2.746) 14.048 ======================= Grid point 944 (461/504) ======================= q-point: ( 0.29 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 13.951 -6.352 -15.083) 21.506 2.788 ( 13.713 4.618 -12.617) 19.198 3.161 ( 12.686 8.859 2.768) 15.719 3.290 ( 1.335 0.497 6.764) 6.912 3.620 ( -8.104 4.833 10.308) 13.975 4.188 ( 14.728 -4.967 -6.422) 16.818 4.865 ( 1.613 8.444 -3.144) 9.153 5.347 ( 6.222 -0.910 4.968) 8.014 5.738 ( 16.585 -5.743 -10.983) 20.704 6.760 ( 5.737 -11.109 19.039) 22.778 8.233 ( -9.581 -2.374 -6.671) 11.914 8.736 ( -9.335 7.425 2.268) 12.141 24.833 ( -1.291 15.230 -0.537) 15.294 27.525 ( 1.971 5.369 -0.020) 5.720 30.077 ( 6.800 -2.834 1.488) 7.516 34.503 ( -5.649 -16.355 1.181) 17.344 94.211 ( -0.436 8.747 0.579) 8.777 97.468 ( -10.330 -5.239 -3.421) 12.077 ======================= Grid point 945 (462/504) ======================= q-point: ( 0.36 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 14.372 -5.047 -13.026) 20.042 2.903 ( 10.364 4.775 -12.593) 16.994 3.295 ( -2.573 -3.498 8.283) 9.352 3.416 ( 4.134 5.799 6.260) 9.482 3.572 ( -2.224 6.935 7.350) 10.347 4.321 ( 4.267 -3.541 -2.863) 6.241 4.901 ( 6.004 6.402 -6.364) 10.842 5.465 ( 3.476 -2.411 4.310) 6.039 6.027 ( 20.635 -6.092 -7.025) 22.633 6.983 ( 5.912 -6.887 15.205) 17.708 7.998 ( -12.145 -2.850 -4.843) 13.382 8.584 ( -7.943 4.461 0.025) 9.110 24.808 ( -1.014 15.173 -0.447) 15.214 27.557 ( 1.572 5.979 -0.022) 6.182 30.194 ( 4.952 -2.512 1.267) 5.695 34.418 ( -4.460 -15.767 0.925) 16.412 94.208 ( -0.258 8.290 0.424) 8.305 97.287 ( -7.186 -4.118 -2.918) 8.782 ======================= Grid point 946 (463/504) ======================= q-point: ( 0.43 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 12.894 -3.273 -10.535) 16.969 2.991 ( 5.807 1.556 -6.451) 8.818 3.275 ( -4.556 -2.354 6.992) 8.671 3.416 ( -5.247 3.809 5.574) 8.550 3.647 ( 3.191 7.050 3.013) 8.305 4.338 ( -0.284 -1.078 -0.262) 1.145 4.979 ( 6.155 3.176 -5.003) 8.544 5.535 ( 1.728 -3.396 2.421) 4.514 6.315 ( 13.707 -6.958 -3.478) 15.760 7.198 ( 8.681 -3.714 10.319) 13.987 7.730 ( -13.917 -2.789 -4.227) 14.810 8.466 ( -4.587 2.401 -0.655) 5.219 24.791 ( -0.555 15.142 -0.252) 15.155 27.579 ( 0.871 6.409 -0.014) 6.468 30.269 ( 2.574 -2.241 0.701) 3.485 34.360 ( -2.450 -15.368 0.514) 15.571 94.207 ( -0.112 7.985 0.223) 7.989 97.173 ( -3.612 -3.469 -1.621) 5.264 ======================= Grid point 947 (464/504) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -0.000 -1.619 0.000) 1.619 2.989 ( -0.000 -2.156 0.000) 2.156 3.258 ( -0.000 0.250 0.000) 0.250 3.376 ( 0.000 2.819 -0.000) 2.819 3.687 ( -0.000 6.913 0.000) 6.913 4.331 ( -0.000 -0.414 0.000) 0.414 5.022 ( -0.000 2.023 0.000) 2.023 5.559 ( -0.000 -3.787 0.000) 3.787 6.431 ( -0.000 -7.448 0.000) 7.448 7.438 ( -0.000 4.710 -0.000) 4.710 7.460 ( 0.000 -9.854 0.000) 9.854 8.421 ( -0.000 1.680 0.000) 1.680 24.785 ( -0.000 15.133 0.000) 15.133 27.587 ( -0.000 6.564 0.000) 6.564 30.295 ( -0.000 -2.137 0.000) 2.137 34.339 ( -0.000 -15.228 0.000) 15.228 94.207 ( -0.000 7.879 0.000) 7.879 97.135 ( -0.000 -3.260 0.000) 3.260 ======================= Grid point 955 (465/504) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -0.000 22.477 0.000) 22.477 2.354 ( 0.000 10.363 0.000) 10.363 2.435 ( 0.000 2.570 0.000) 2.570 2.951 ( -0.000 -0.133 -0.000) 0.133 3.872 ( -0.000 13.941 0.000) 13.941 4.324 ( -0.000 -2.369 0.000) 2.369 4.472 ( 0.000 0.188 0.000) 0.188 5.124 ( 0.000 8.391 0.000) 8.391 5.238 ( -0.000 -5.752 0.000) 5.752 5.668 ( -0.000 -26.732 0.000) 26.732 8.869 ( 0.000 2.704 0.000) 2.704 9.349 ( -0.000 16.388 -0.000) 16.388 25.339 ( 0.000 28.520 0.000) 28.520 27.527 ( 0.000 6.947 0.000) 6.947 29.570 ( 0.000 -6.437 0.000) 6.437 34.253 ( 0.000 -34.566 0.000) 34.566 94.494 ( 0.000 16.444 0.000) 16.444 97.874 ( 0.000 -17.134 0.000) 17.134 ======================= Grid point 957 (466/504) ======================= q-point: ( 0.07 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 14.273 19.511 -2.181) 24.272 2.394 ( 2.804 1.816 -12.907) 13.332 2.531 ( 17.112 8.694 -0.265) 19.196 3.005 ( 1.227 0.350 10.239) 10.319 3.850 ( 0.384 14.027 -6.990) 15.677 4.111 ( -13.931 -0.672 1.599) 14.039 4.689 ( 14.594 -1.093 -2.316) 14.817 5.119 ( -1.042 8.350 2.410) 8.753 5.309 ( 6.912 -5.281 -0.686) 8.726 5.692 ( 0.879 -26.598 6.807) 27.469 8.807 ( -4.024 2.743 -6.437) 8.072 9.324 ( -4.952 15.220 5.233) 16.839 25.333 ( -0.734 28.542 0.185) 28.552 27.539 ( 1.326 7.200 -0.007) 7.321 29.607 ( 3.961 -6.384 -0.009) 7.514 34.235 ( -2.161 -34.307 0.665) 34.382 94.490 ( -0.828 16.341 0.963) 16.390 97.826 ( -5.095 -16.444 -0.402) 17.220 ======================= Grid point 958 (467/504) ======================= q-point: ( 0.14 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 17.443 9.379 -8.649) 21.611 2.394 ( 10.162 3.822 -12.257) 16.374 2.911 ( 22.445 7.794 -0.669) 23.769 3.106 ( 0.992 0.267 11.770) 11.815 3.808 ( 2.285 12.001 -9.104) 15.236 3.918 ( -8.847 1.151 3.209) 9.481 4.894 ( 11.098 -0.840 -6.245) 12.762 5.133 ( 0.072 7.896 5.194) 9.451 5.413 ( 5.562 -6.131 -4.794) 9.566 5.843 ( 7.819 -23.793 15.811) 29.618 8.650 ( -7.042 2.356 -9.082) 11.731 9.236 ( -9.290 12.467 6.251) 16.757 25.316 ( -1.308 28.600 0.237) 28.631 27.573 ( 2.386 7.916 -0.007) 8.268 29.707 ( 6.870 -6.229 0.274) 9.278 34.186 ( -3.874 -33.577 1.138) 33.819 94.478 ( -1.402 16.041 1.581) 16.180 97.693 ( -8.660 -14.555 -1.363) 16.991 ======================= Grid point 959 (468/504) ======================= q-point: ( 0.21 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 12.282 -2.132 -18.287) 22.131 2.641 ( 18.234 7.905 -3.253) 20.138 3.170 ( 0.803 1.258 7.474) 7.622 3.257 ( 13.201 9.895 -1.149) 16.538 3.790 ( -5.606 5.433 5.494) 9.546 3.904 ( 11.128 2.138 -5.816) 12.737 5.003 ( 5.355 4.924 -4.262) 8.432 5.202 ( 4.131 1.426 3.592) 5.657 5.466 ( 6.034 -6.994 -6.270) 11.164 6.153 ( 11.845 -19.315 18.553) 29.285 8.441 ( -8.991 1.357 -8.860) 12.695 9.079 ( -12.026 9.111 4.208) 15.663 25.290 ( -1.583 28.681 0.149) 28.725 27.622 ( 2.972 8.967 -0.006) 9.447 29.848 ( 8.042 -5.944 0.714) 10.026 34.116 ( -4.780 -32.520 1.343) 32.897 94.462 ( -1.576 15.585 1.715) 15.758 97.510 ( -9.740 -12.032 -2.494) 15.679 ======================= Grid point 960 (469/504) ======================= q-point: ( 0.29 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 14.643 -3.347 -16.089) 22.011 2.888 ( 12.275 5.644 -7.183) 15.301 3.210 ( -2.005 -2.138 9.167) 9.624 3.443 ( 8.709 12.294 -0.390) 15.071 3.731 ( -3.998 6.165 4.056) 8.393 4.115 ( 12.037 -1.524 -1.314) 12.204 5.037 ( 1.279 8.197 -2.580) 8.688 5.310 ( 4.368 -3.366 3.342) 6.448 5.598 ( 14.637 -7.612 -6.929) 17.894 6.489 ( 11.044 -15.912 17.424) 26.053 8.209 ( -10.421 0.257 -7.412) 12.790 8.874 ( -12.442 5.916 1.406) 13.848 25.263 ( -1.515 28.774 0.024) 28.814 27.677 ( 2.973 10.157 -0.008) 10.583 29.996 ( 7.455 -5.504 0.949) 9.315 34.038 ( -4.717 -31.360 1.300) 31.739 94.446 ( -1.378 15.056 1.464) 15.190 97.323 ( -8.542 -9.606 -2.976) 13.195 ======================= Grid point 961 (470/504) ======================= q-point: ( 0.36 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 15.524 -3.079 -12.596) 20.227 2.996 ( 6.745 4.543 -9.113) 12.214 3.230 ( -2.465 -2.779 8.342) 9.131 3.531 ( -2.065 4.736 4.875) 7.104 3.740 ( 3.403 10.408 1.805) 11.098 4.273 ( 5.573 -0.536 0.679) 5.640 5.034 ( 1.770 6.445 -4.520) 8.069 5.393 ( 2.447 -4.986 3.071) 6.346 5.873 ( 18.430 -9.097 -4.388) 21.016 6.785 ( 9.656 -13.282 14.389) 21.833 7.963 ( -11.697 -0.118 -5.904) 13.103 8.667 ( -10.299 3.482 -0.558) 10.886 25.238 ( -1.162 28.866 -0.049) 28.890 27.726 ( 2.390 11.249 -0.010) 11.500 30.121 ( 5.578 -4.983 0.834) 7.526 33.969 ( -3.738 -30.337 1.036) 30.584 94.434 ( -0.962 14.572 1.017) 14.639 97.171 ( -6.040 -7.771 -2.522) 10.160 ======================= Grid point 962 (471/504) ======================= q-point: ( 0.43 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 13.537 -2.410 -9.141) 16.511 3.016 ( -0.067 0.899 -3.043) 3.174 3.245 ( 0.033 -0.384 3.237) 3.260 3.479 ( -5.750 2.321 4.556) 7.695 3.824 ( 3.356 10.639 1.303) 11.232 4.331 ( 0.521 0.898 1.378) 1.725 5.050 ( 3.030 3.660 -3.881) 6.135 5.442 ( 1.107 -6.045 1.725) 6.383 6.138 ( 12.009 -10.680 -1.951) 16.189 7.040 ( 9.120 -12.958 9.919) 18.695 7.712 ( -11.472 1.658 -4.918) 12.592 8.513 ( -5.873 2.017 -0.927) 6.279 25.221 ( -0.625 28.937 -0.047) 28.944 27.760 ( 1.331 12.016 -0.007) 12.090 30.203 ( 2.952 -4.558 0.468) 5.451 33.921 ( -2.058 -29.645 0.579) 29.722 94.426 ( -0.480 14.239 0.511) 14.256 97.075 ( -3.067 -6.681 -1.406) 7.485 ======================= Grid point 963 (472/504) ======================= q-point: ( 0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -0.000 -1.495 0.000) 1.495 2.950 ( -0.000 -1.688 -0.000) 1.688 3.266 ( -0.000 0.783 0.000) 0.783 3.431 ( 0.000 2.384 -0.000) 2.384 3.860 ( -0.000 10.413 0.000) 10.413 4.336 ( -0.000 1.265 0.000) 1.265 5.068 ( -0.000 2.405 0.000) 2.405 5.458 ( -0.000 -6.459 0.000) 6.459 6.244 ( -0.000 -11.307 0.000) 11.307 7.194 ( -0.000 -17.146 0.000) 17.146 7.553 ( 0.000 6.725 0.000) 6.725 8.455 ( -0.000 1.524 0.000) 1.524 25.215 ( -0.000 28.964 0.000) 28.964 27.772 ( -0.000 12.292 0.000) 12.292 30.232 ( -0.000 -4.395 0.000) 4.395 33.905 ( -0.000 -29.401 0.000) 29.401 94.424 ( -0.000 14.121 0.000) 14.121 97.042 ( -0.000 -6.325 0.000) 6.325 ======================= Grid point 971 (473/504) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.000 23.999 0.000) 23.999 2.447 ( 0.000 -0.989 0.000) 0.989 2.578 ( 0.000 12.445 0.000) 12.445 2.957 ( -0.000 0.294 -0.000) 0.294 4.139 ( 0.000 12.230 0.000) 12.230 4.270 ( -0.000 -3.136 0.000) 3.136 4.319 ( 0.000 -15.283 0.000) 15.283 5.100 ( -0.000 -8.502 0.000) 8.502 5.308 ( 0.000 10.311 0.000) 10.311 5.376 ( -0.000 -2.893 0.000) 2.893 8.943 ( 0.000 5.058 0.000) 5.058 9.589 ( -0.000 8.261 0.000) 8.261 25.996 ( 0.000 38.882 0.000) 38.882 27.691 ( -0.000 9.855 0.000) 9.855 29.418 ( 0.000 -9.242 0.000) 9.242 33.450 ( 0.000 -47.683 0.000) 47.683 94.840 ( 0.000 18.717 0.000) 18.717 97.504 ( 0.000 -20.504 0.000) 20.504 ======================= Grid point 973 (474/504) ======================= q-point: ( 0.07 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 7.491 19.789 -4.998) 21.741 2.416 ( 2.977 1.522 -8.949) 9.553 2.722 ( 14.458 10.695 0.886) 18.005 3.009 ( 1.155 -0.303 9.565) 9.640 4.056 ( -10.130 -3.935 -0.486) 10.878 4.117 ( -2.323 11.170 -2.022) 11.587 4.568 ( 15.267 -11.056 -1.364) 18.899 5.167 ( 6.621 -7.265 0.494) 9.842 5.291 ( -0.384 5.029 -0.415) 5.061 5.399 ( -0.474 -0.598 6.585) 6.629 8.882 ( -4.660 5.064 -4.976) 8.492 9.547 ( -5.963 7.588 3.109) 10.139 25.991 ( -0.743 38.956 0.472) 38.966 27.708 ( 1.948 10.175 -0.019) 10.360 29.455 ( 4.147 -9.155 -0.104) 10.051 33.438 ( -1.551 -47.370 0.683) 47.401 94.834 ( -1.112 18.682 1.302) 18.760 97.470 ( -3.572 -19.808 -0.478) 20.133 ======================= Grid point 974 (475/504) ======================= q-point: ( 0.14 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 5.675 4.089 -18.193) 19.491 2.557 ( 13.184 12.196 0.344) 17.964 3.046 ( 14.566 4.075 1.796) 15.231 3.113 ( 6.749 2.107 9.353) 11.725 3.920 ( -5.369 0.349 2.548) 5.953 4.051 ( -2.106 10.910 -4.723) 12.074 4.808 ( 14.021 -8.666 -5.471) 17.367 5.222 ( -0.957 0.989 0.008) 1.376 5.373 ( 3.600 2.832 3.847) 5.981 5.489 ( 8.225 -11.835 10.639) 17.914 8.719 ( -8.191 4.901 -7.550) 12.171 9.416 ( -11.078 5.896 3.592) 13.054 25.976 ( -1.307 39.177 0.735) 39.205 27.758 ( 3.518 11.078 -0.027) 11.623 29.560 ( 7.271 -8.913 -0.015) 11.502 33.405 ( -2.786 -46.495 1.207) 46.594 94.819 ( -1.917 18.583 2.171) 18.808 97.374 ( -6.135 -17.899 -1.220) 18.960 ======================= Grid point 975 (476/504) ======================= q-point: ( 0.21 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 9.917 1.861 -18.168) 20.781 2.803 ( 12.281 8.225 1.436) 14.851 3.136 ( -0.448 -2.833 6.476) 7.083 3.443 ( 16.759 7.155 0.628) 18.234 3.882 ( -1.888 4.520 1.471) 5.115 4.017 ( 2.514 8.610 -0.612) 8.990 5.010 ( 13.221 -5.354 -6.346) 15.612 5.200 ( -1.866 -0.109 1.682) 2.515 5.415 ( 0.485 1.862 3.066) 3.620 5.809 ( 15.154 -16.238 12.901) 25.685 8.496 ( -10.310 4.413 -7.846) 13.686 9.205 ( -14.131 3.786 1.868) 14.748 25.955 ( -1.557 39.519 0.740) 39.556 27.831 ( 4.404 12.396 -0.026) 13.155 29.707 ( 8.684 -8.532 0.208) 12.176 33.357 ( -3.457 -45.241 1.480) 45.397 94.797 ( -2.221 18.436 2.409) 18.725 97.242 ( -7.034 -15.312 -1.987) 16.967 ======================= Grid point 976 (477/504) ======================= q-point: ( 0.29 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 13.718 0.783 -15.458) 20.682 2.988 ( 6.513 3.519 1.496) 7.552 3.168 ( 0.380 -0.882 4.319) 4.424 3.620 ( 2.309 4.245 -1.129) 4.963 3.879 ( 3.163 10.054 -0.858) 10.575 4.149 ( 8.203 4.749 5.121) 10.774 5.157 ( 1.794 3.902 -2.502) 4.970 5.201 ( 4.375 -7.312 1.141) 8.597 5.486 ( 7.991 -3.708 -0.310) 8.814 6.167 ( 13.981 -17.024 13.211) 25.687 8.248 ( -11.272 3.828 -7.001) 13.810 8.950 ( -14.253 1.857 -0.269) 14.376 25.932 ( -1.465 39.919 0.584) 39.950 27.911 ( 4.428 13.881 -0.022) 14.570 29.864 ( 8.258 -8.033 0.363) 11.526 33.304 ( -3.436 -43.875 1.473) 44.034 94.774 ( -2.021 18.257 2.103) 18.488 97.104 ( -6.315 -12.748 -2.292) 14.410 ======================= Grid point 977 (478/504) ======================= q-point: ( 0.36 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 15.165 -0.090 -11.905) 19.280 3.052 ( -0.449 0.300 2.285) 2.348 3.217 ( 3.149 2.424 0.097) 3.975 3.578 ( -4.994 0.424 1.689) 5.289 3.964 ( 5.133 12.130 -0.087) 13.171 4.310 ( 4.873 4.035 4.733) 7.902 5.128 ( -1.157 2.932 -2.427) 3.978 5.276 ( 2.081 -6.759 1.531) 7.236 5.698 ( 14.338 -8.498 -1.238) 16.712 6.482 ( 11.188 -17.606 11.468) 23.805 8.001 ( -11.024 3.887 -5.827) 13.061 8.707 ( -11.459 0.592 -1.430) 11.563 25.912 ( -1.106 40.290 0.378) 40.307 27.985 ( 3.574 15.238 -0.016) 15.652 30.000 ( 6.326 -7.496 0.348) 9.815 33.257 ( -2.743 -42.676 1.190) 42.781 94.755 ( -1.470 18.078 1.485) 18.198 96.990 ( -4.557 -10.735 -1.940) 11.823 ======================= Grid point 978 (479/504) ======================= q-point: ( 0.43 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 13.479 -0.595 -8.334) 15.858 3.021 ( -4.800 -0.345 3.053) 5.699 3.270 ( 3.398 3.005 -2.365) 5.116 3.501 ( -5.132 0.185 3.674) 6.315 4.040 ( 3.044 11.236 0.283) 11.644 4.380 ( 0.209 3.950 3.002) 4.966 5.103 ( 0.515 1.547 -2.636) 3.100 5.310 ( 0.702 -7.366 1.179) 7.492 5.922 ( 9.760 -11.201 -0.447) 14.863 6.718 ( 7.302 -19.320 7.404) 21.941 7.787 ( -8.097 5.623 -4.028) 10.649 8.534 ( -6.417 0.047 -1.199) 6.528 25.898 ( -0.588 40.550 0.182) 40.555 28.036 ( 1.994 16.189 -0.009) 16.311 30.091 ( 3.401 -7.075 0.201) 7.853 33.225 ( -1.518 -41.866 0.668) 41.899 94.742 ( -0.757 17.943 0.754) 17.975 96.917 ( -2.344 -9.502 -1.088) 9.847 ======================= Grid point 979 (480/504) ======================= q-point: ( 0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -0.000 -0.622 0.000) 0.622 2.927 ( 0.000 -0.658 -0.000) 0.658 3.297 ( -0.000 2.568 0.000) 2.568 3.462 ( 0.000 0.962 -0.000) 0.962 4.070 ( -0.000 10.846 0.000) 10.846 4.386 ( -0.000 3.773 0.000) 3.773 5.102 ( -0.000 0.765 0.000) 0.765 5.320 ( -0.000 -7.526 0.000) 7.526 6.012 ( -0.000 -12.160 0.000) 12.160 6.817 ( -0.000 -21.137 0.000) 21.137 7.691 ( -0.000 7.532 0.000) 7.532 8.470 ( -0.000 -0.077 0.000) 0.077 25.894 ( -0.000 40.643 0.000) 40.643 28.054 ( -0.000 16.531 0.000) 16.531 30.123 ( -0.000 -6.916 0.000) 6.916 33.213 ( -0.000 -41.580 0.000) 41.580 94.738 ( -0.000 17.893 0.000) 17.893 96.892 ( -0.000 -9.091 0.000) 9.091 ======================= Grid point 987 (481/504) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 0.000 -1.399 0.000) 1.399 2.657 ( -0.000 21.831 0.000) 21.831 2.822 ( 0.000 12.369 -0.000) 12.369 2.929 ( -0.000 -4.166 -0.000) 4.166 4.034 ( 0.000 -10.522 0.000) 10.522 4.209 ( 0.000 -2.917 0.000) 2.917 4.309 ( -0.000 4.846 0.000) 4.846 4.911 ( -0.000 -10.969 0.000) 10.969 5.444 ( 0.000 7.074 0.000) 7.074 5.507 ( -0.000 9.733 -0.000) 9.733 9.064 ( 0.000 7.282 0.000) 7.282 9.676 ( -0.000 1.032 0.000) 1.032 26.832 ( 0.000 47.181 0.000) 47.181 27.905 ( -0.000 12.145 0.000) 12.145 29.215 ( 0.000 -11.563 0.000) 11.563 32.432 ( -0.000 -56.644 0.000) 56.644 95.205 ( 0.000 18.818 0.000) 18.818 97.097 ( 0.000 -21.239 0.000) 21.239 ======================= Grid point 989 (482/504) ======================= q-point: ( 0.07 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 1.006 0.155 -8.649) 8.709 2.686 ( 3.958 17.829 -0.175) 18.264 2.928 ( 9.446 8.454 0.689) 12.695 2.980 ( 3.600 -0.833 6.651) 7.609 3.961 ( -4.440 -3.635 1.483) 5.927 4.269 ( -0.726 2.860 -3.338) 4.455 4.379 ( 10.034 -5.899 5.688) 12.955 4.984 ( 7.668 -10.912 0.788) 13.361 5.394 ( -2.013 7.132 -5.570) 9.271 5.523 ( -1.675 8.028 5.761) 10.022 9.003 ( -5.086 7.346 -3.764) 9.695 9.624 ( -6.320 0.691 1.414) 6.513 26.829 ( -0.605 47.282 0.631) 47.290 27.929 ( 2.656 12.469 -0.056) 12.749 29.255 ( 4.371 -11.466 -0.176) 12.272 32.426 ( -0.912 -56.348 0.726) 56.360 95.199 ( -1.094 18.846 1.257) 18.919 97.075 ( -2.283 -20.677 -0.344) 20.806 ======================= Grid point 990 (483/504) ======================= q-point: ( 0.14 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.865 3.147 -13.283) 14.187 2.791 ( 5.227 9.312 4.583) 11.620 3.033 ( 3.434 -1.137 1.846) 4.061 3.229 ( 16.099 7.180 4.530) 18.200 3.936 ( -0.142 1.977 2.756) 3.395 4.215 ( -2.869 5.576 -0.257) 6.276 4.623 ( 12.669 -8.564 2.996) 15.583 5.181 ( 11.560 -9.824 1.638) 15.258 5.327 ( -0.617 3.216 -2.872) 4.356 5.511 ( -3.764 5.371 5.016) 8.257 8.839 ( -9.006 7.374 -5.946) 13.070 9.469 ( -11.690 -0.119 1.179) 11.750 26.820 ( -1.029 47.589 1.035) 47.612 27.997 ( 4.804 13.383 -0.088) 14.220 29.364 ( 7.695 -11.214 -0.226) 13.602 32.410 ( -1.655 -55.527 1.307) 55.567 95.184 ( -1.899 18.926 2.133) 19.140 97.013 ( -3.962 -19.132 -0.811) 19.555 ======================= Grid point 991 (484/504) ======================= q-point: ( 0.21 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 7.924 4.607 -13.879) 16.633 2.909 ( 2.179 0.480 8.444) 8.734 3.114 ( 5.135 2.846 0.272) 5.878 3.533 ( 12.671 2.499 1.876) 13.051 3.976 ( 2.834 5.177 1.544) 6.100 4.194 ( 0.108 8.802 3.758) 9.571 4.864 ( 12.289 -7.549 1.083) 14.463 5.232 ( -0.952 2.693 -2.691) 3.924 5.462 ( -4.362 1.828 3.078) 5.643 5.514 ( 14.872 -14.180 6.749) 21.629 8.610 ( -11.302 7.153 -6.541) 14.889 9.229 ( -14.832 -1.027 -0.391) 14.873 26.807 ( -1.177 48.086 1.135) 48.113 28.095 ( 6.023 14.722 -0.092) 15.907 29.519 ( 9.277 -10.878 -0.160) 14.298 32.386 ( -2.086 -54.363 1.635) 54.428 95.162 ( -2.232 19.041 2.430) 19.325 96.927 ( -4.625 -17.004 -1.272) 17.668 ======================= Grid point 992 (485/504) ======================= q-point: ( 0.29 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 11.435 4.357 -12.442) 17.451 2.984 ( -0.504 -3.154 9.401) 9.929 3.217 ( 5.817 5.058 -0.439) 7.721 3.637 ( -0.637 -1.228 -1.601) 2.116 4.081 ( 7.004 9.395 0.842) 11.749 4.277 ( 4.394 7.912 7.017) 11.451 5.060 ( 7.263 -6.026 1.802) 9.607 5.205 ( -0.468 1.096 -2.303) 2.593 5.429 ( 0.802 -2.869 1.592) 3.378 5.837 ( 14.375 -16.894 8.024) 23.589 8.353 ( -11.933 6.777 -6.263) 15.085 8.949 ( -14.789 -1.758 -1.898) 15.014 26.794 ( -1.065 48.683 0.994) 48.705 28.205 ( 6.067 16.230 -0.079) 17.327 29.685 ( 8.939 -10.505 -0.076) 13.793 32.359 ( -2.115 -53.110 1.653) 53.178 95.139 ( -2.075 19.158 2.185) 19.393 96.836 ( -4.245 -14.830 -1.464) 15.495 ======================= Grid point 993 (486/504) ======================= q-point: ( 0.36 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 13.081 3.020 -9.876) 16.667 3.022 ( -2.193 -2.464 8.206) 8.844 3.304 ( 4.847 5.369 -2.617) 7.692 3.567 ( -5.168 -1.155 0.932) 5.376 4.188 ( 4.523 10.528 -0.502) 11.470 4.408 ( 3.414 5.495 6.770) 9.364 5.134 ( -0.134 -3.310 2.018) 3.879 5.165 ( -1.134 -2.766 -2.039) 3.619 5.548 ( 9.874 -7.113 0.505) 12.180 6.123 ( 11.055 -18.830 7.473) 23.079 8.106 ( -10.578 6.732 -5.400) 13.652 8.691 ( -11.674 -2.159 -2.289) 12.090 26.783 ( -0.778 49.247 0.713) 49.258 28.305 ( 4.905 17.609 -0.056) 18.280 29.830 ( 6.935 -10.147 -0.030) 12.290 32.335 ( -1.722 -52.021 1.347) 52.067 95.119 ( -1.546 19.246 1.585) 19.373 96.759 ( -3.125 -13.061 -1.254) 13.488 ======================= Grid point 994 (487/504) ======================= q-point: ( 0.43 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 12.000 1.399 -6.964) 13.945 3.008 ( -4.997 -0.939 5.584) 7.552 3.352 ( 3.219 5.041 -4.233) 7.327 3.499 ( -3.959 -0.059 4.211) 5.780 4.245 ( 2.359 9.616 -0.388) 9.909 4.468 ( -0.600 4.671 3.783) 6.041 5.106 ( -0.913 -1.225 -1.479) 2.126 5.170 ( 0.329 -6.587 1.052) 6.679 5.718 ( 7.343 -9.487 0.421) 12.004 6.324 ( 6.192 -20.567 4.728) 21.994 7.916 ( -6.532 7.423 -3.424) 10.463 8.512 ( -6.429 -2.269 -1.486) 6.977 26.776 ( -0.404 49.644 0.369) 49.647 28.375 ( 2.739 18.578 -0.029) 18.779 29.927 ( 3.762 -9.883 -0.013) 10.575 32.317 ( -0.967 -51.291 0.758) 51.306 95.106 ( -0.811 19.295 0.819) 19.329 96.709 ( -1.628 -11.944 -0.712) 12.075 ======================= Grid point 995 (488/504) ======================= q-point: ( 0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -0.000 0.197 0.000) 0.197 2.922 ( 0.000 0.075 -0.000) 0.075 3.366 ( -0.000 4.454 0.000) 4.454 3.480 ( 0.000 1.104 -0.000) 1.104 4.267 ( -0.000 9.128 0.000) 9.128 4.468 ( -0.000 4.273 0.000) 4.273 5.094 ( -0.000 -1.463 0.000) 1.463 5.177 ( -0.000 -6.879 0.000) 6.879 5.789 ( -0.000 -10.407 0.000) 10.407 6.399 ( -0.000 -21.445 0.000) 21.445 7.842 ( -0.000 8.011 0.000) 8.011 8.448 ( -0.000 -2.268 0.000) 2.268 26.774 ( -0.000 49.787 0.000) 49.787 28.400 ( -0.000 18.926 0.000) 18.926 29.961 ( -0.000 -9.785 0.000) 9.785 32.311 ( -0.000 -51.036 0.000) 51.036 95.102 ( -0.000 19.309 0.000) 19.309 96.692 ( -0.000 -11.566 0.000) 11.566 ======================= Grid point 1003 (489/504) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.000 1.028 0.000) 1.028 2.787 ( 0.000 -9.590 0.000) 9.590 3.027 ( -0.000 15.508 0.000) 15.508 3.045 ( 0.000 10.306 -0.000) 10.306 3.962 ( 0.000 2.414 0.000) 2.414 4.174 ( 0.000 0.012 0.000) 0.012 4.327 ( 0.000 -2.588 0.000) 2.588 4.680 ( -0.000 -12.663 0.000) 12.663 5.589 ( 0.000 7.144 0.000) 7.144 5.665 ( -0.000 6.112 0.000) 6.112 9.219 ( 0.000 8.522 0.000) 8.522 9.644 ( -0.000 -3.932 0.000) 3.932 27.813 ( 0.000 53.826 0.000) 53.826 28.157 ( -0.000 13.796 0.000) 13.796 28.974 ( 0.000 -13.261 0.000) 13.261 31.284 ( -0.000 -61.207 0.000) 61.207 95.567 ( 0.000 18.572 0.000) 18.572 96.690 ( 0.000 -20.638 0.000) 20.638 ======================= Grid point 1005 (490/504) ======================= q-point: ( 0.07 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.245 1.857 -2.921) 3.678 2.778 ( -1.905 -7.834 3.976) 8.990 3.061 ( 5.819 12.622 -4.721) 14.678 3.144 ( 7.594 9.475 4.814) 13.062 3.963 ( -0.203 3.709 2.975) 4.759 4.255 ( 6.454 -0.565 -2.544) 6.960 4.323 ( -0.126 -3.141 6.612) 7.322 4.756 ( 7.613 -12.405 1.009) 14.590 5.542 ( -2.735 7.355 -5.104) 9.361 5.652 ( -2.869 4.853 2.626) 6.219 9.160 ( -5.388 8.584 -2.691) 10.486 9.588 ( -6.284 -4.066 0.154) 7.487 27.812 ( -0.475 53.866 0.745) 53.873 28.186 ( 3.300 14.006 -0.130) 14.390 29.015 ( 4.594 -13.119 -0.211) 13.902 31.283 ( -0.374 -60.986 0.762) 60.992 95.562 ( -0.917 18.598 0.981) 18.646 96.677 ( -1.395 -20.260 -0.075) 20.308 ======================= Grid point 1006 (491/504) ======================= q-point: ( 0.14 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 3.505 3.891 -5.273) 7.431 2.789 ( -0.892 -6.778 6.656) 9.542 3.146 ( 6.065 10.329 -2.702) 12.279 3.354 ( 11.164 5.141 4.207) 12.991 4.004 ( 2.154 4.805 3.067) 6.093 4.276 ( -0.923 0.968 4.777) 4.961 4.502 ( 11.651 -3.571 4.487) 12.986 4.951 ( 12.511 -12.575 1.702) 17.819 5.438 ( -4.150 6.468 -5.850) 9.658 5.590 ( -5.632 2.523 1.791) 6.426 8.997 ( -9.637 8.604 -4.489) 13.677 9.424 ( -11.552 -4.298 -0.628) 12.341 27.807 ( -0.710 54.020 1.215) 54.038 28.270 ( 5.995 14.699 -0.187) 15.876 29.129 ( 8.010 -12.861 -0.319) 15.155 31.281 ( -0.710 -60.377 1.383) 60.397 95.548 ( -1.599 18.668 1.684) 18.812 96.641 ( -2.439 -19.214 -0.239) 19.370 ======================= Grid point 1007 (492/504) ======================= q-point: ( 0.21 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 6.311 5.796 -6.619) 10.828 2.836 ( 0.272 -6.014 8.100) 10.092 3.236 ( 4.818 7.909 0.278) 9.265 3.549 ( 6.565 -0.785 1.727) 6.833 4.085 ( 5.034 6.207 3.411) 8.689 4.328 ( 1.215 4.258 8.792) 9.844 4.756 ( 13.142 -2.826 2.961) 13.765 5.204 ( 12.008 -11.136 1.762) 16.471 5.336 ( -1.434 1.445 -3.629) 4.161 5.480 ( -6.995 -0.131 0.503) 7.014 8.763 ( -12.122 8.369 -5.349) 15.671 9.175 ( -14.602 -4.386 -2.075) 15.387 27.804 ( -0.669 54.387 1.347) 54.407 28.393 ( 7.538 15.811 -0.182) 17.517 29.289 ( 9.593 -12.716 -0.328) 15.932 31.277 ( -0.957 -59.530 1.750) 59.564 95.529 ( -1.896 18.765 1.952) 18.961 96.589 ( -2.888 -17.750 -0.452) 17.989 ======================= Grid point 1008 (493/504) ======================= q-point: ( 0.29 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 8.665 6.434 -6.848) 12.782 2.905 ( 0.817 -4.639 8.347) 9.584 3.323 ( 3.920 5.556 1.958) 7.076 3.594 ( -1.436 -3.068 0.067) 3.388 4.235 ( 7.448 6.999 4.116) 11.018 4.419 ( 2.008 5.498 7.930) 9.856 4.986 ( 8.952 -1.231 2.273) 9.318 5.217 ( -2.972 0.366 -2.687) 4.024 5.366 ( -2.970 -3.580 0.245) 4.658 5.526 ( 13.556 -14.554 3.231) 20.150 8.499 ( -12.566 7.975 -5.556) 15.886 8.888 ( -14.545 -4.338 -3.157) 15.503 27.802 ( -0.485 54.947 1.211) 54.963 28.531 ( 7.610 17.108 -0.149) 18.725 29.459 ( 9.227 -12.722 -0.289) 15.718 31.271 ( -1.049 -58.646 1.789) 58.683 95.508 ( -1.785 18.865 1.792) 19.034 96.534 ( -2.698 -16.216 -0.581) 16.449 ======================= Grid point 1009 (494/504) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 9.676 5.402 -5.971) 12.588 2.969 ( -0.016 -3.070 6.958) 7.605 3.401 ( 3.452 4.327 0.776) 5.589 3.542 ( -4.075 -1.358 2.077) 4.772 4.360 ( 3.913 7.276 0.978) 8.319 4.505 ( 1.379 3.972 6.981) 8.149 5.072 ( 0.227 -1.711 1.540) 2.313 5.127 ( -4.632 -2.009 -1.307) 5.215 5.428 ( 7.971 -4.831 0.453) 9.331 5.775 ( 10.834 -16.452 3.481) 20.004 8.249 ( -10.618 7.761 -4.977) 14.062 8.628 ( -11.477 -4.318 -3.086) 12.645 27.803 ( -0.284 55.537 0.895) 55.545 28.656 ( 6.170 18.323 -0.106) 19.334 29.607 ( 7.166 -12.804 -0.227) 14.675 31.264 ( -0.918 -57.909 1.471) 57.935 95.491 ( -1.348 18.946 1.325) 19.040 96.487 ( -2.018 -14.931 -0.533) 15.076 ======================= Grid point 1010 (495/504) ======================= q-point: ( 0.43 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 8.748 3.076 -4.423) 10.274 2.985 ( -2.910 -1.538 4.323) 5.433 3.448 ( 2.192 4.455 -2.270) 5.460 3.506 ( -2.266 0.780 4.990) 5.536 4.404 ( 1.380 6.719 -0.389) 6.870 4.543 ( -1.404 2.621 3.773) 4.804 5.058 ( -1.381 -3.319 0.471) 3.626 5.076 ( -0.955 -2.953 0.069) 3.104 5.570 ( 6.065 -5.244 0.514) 8.035 5.949 ( 5.921 -17.513 2.243) 18.623 8.066 ( -6.134 7.877 -3.087) 10.450 8.447 ( -6.310 -4.368 -1.872) 7.899 27.804 ( -0.124 55.973 0.473) 55.975 28.744 ( 3.456 19.199 -0.056) 19.507 29.707 ( 3.893 -12.888 -0.130) 13.464 31.259 ( -0.542 -57.437 0.834) 57.446 95.479 ( -0.715 18.996 0.693) 19.022 96.456 ( -1.064 -14.100 -0.314) 14.143 ======================= Grid point 1011 (496/504) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -0.000 0.563 0.000) 0.563 2.928 ( 0.000 0.418 -0.000) 0.418 3.458 ( -0.000 4.590 0.000) 4.590 3.509 ( 0.000 1.846 -0.000) 1.846 4.416 ( -0.000 6.147 0.000) 6.147 4.534 ( -0.000 2.213 0.000) 2.213 5.054 ( -0.000 -2.394 -0.000) 2.394 5.065 ( -0.000 -4.480 0.000) 4.480 5.629 ( -0.000 -5.552 0.000) 5.552 6.011 ( -0.000 -17.928 0.000) 17.928 7.999 ( -0.000 8.009 0.000) 8.009 8.383 ( -0.000 -4.399 0.000) 4.399 27.804 ( -0.000 56.132 0.000) 56.132 28.775 ( -0.000 19.520 0.000) 19.520 29.742 ( -0.000 -12.923 0.000) 12.923 31.257 ( -0.000 -57.277 0.000) 57.277 95.475 ( -0.000 19.012 0.000) 19.012 96.445 ( -0.000 -13.814 0.000) 13.814 ======================= Grid point 1019 (497/504) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 0.000 4.943 0.000) 4.943 2.601 ( 0.000 -8.734 0.000) 8.734 3.204 ( -0.000 5.427 0.000) 5.427 3.223 ( 0.000 4.273 -0.000) 4.273 4.074 ( 0.000 7.831 0.000) 7.831 4.226 ( -0.000 -6.206 0.000) 6.206 4.239 ( 0.000 6.058 0.000) 6.058 4.434 ( -0.000 -12.198 0.000) 12.198 5.701 ( -0.000 3.994 0.000) 3.994 5.733 ( 0.000 0.865 0.000) 0.865 9.385 ( 0.000 8.418 0.000) 8.418 9.536 ( -0.000 -6.937 0.000) 6.937 28.428 ( 0.000 14.437 0.000) 14.437 28.706 ( -0.000 -14.227 0.000) 14.227 28.913 ( 0.000 58.963 0.000) 58.963 30.087 ( -0.000 -61.740 0.000) 61.740 95.928 ( 0.000 18.823 0.000) 18.823 96.300 ( 0.000 -19.630 0.000) 19.630 ======================= Grid point 1021 (498/504) ======================= q-point: ( 0.07 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.863 5.118 0.764) 5.246 2.609 ( -0.117 -8.328 2.753) 8.772 3.247 ( 5.133 5.915 -2.710) 8.288 3.277 ( 4.945 3.142 2.189) 6.255 4.073 ( -0.477 6.901 2.894) 7.498 4.212 ( -1.994 -6.745 3.363) 7.796 4.325 ( 8.220 6.953 1.353) 10.851 4.517 ( 7.823 -11.821 1.467) 14.251 5.659 ( -3.316 4.349 -2.997) 6.236 5.701 ( -3.440 0.157 -0.435) 3.471 9.327 ( -5.701 8.443 -1.731) 10.334 9.478 ( -6.034 -6.971 -0.828) 9.257 28.462 ( 3.786 14.541 -0.112) 15.026 28.730 ( 2.481 -8.793 -0.043) 9.137 28.929 ( 1.674 53.496 0.577) 53.525 30.090 ( 0.008 -61.582 0.761) 61.587 95.923 ( -0.799 18.767 0.624) 18.795 96.292 ( -0.919 -19.431 0.261) 19.455 ======================= Grid point 1022 (499/504) ======================= q-point: ( 0.14 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 2.631 5.616 1.055) 6.290 2.642 ( 1.035 -7.501 4.680) 8.902 3.326 ( 4.793 7.204 -1.780) 8.834 3.404 ( 6.561 -0.565 1.490) 6.751 4.112 ( 1.825 6.163 5.133) 8.226 4.232 ( 0.060 -5.396 8.557) 10.116 4.528 ( 12.731 6.546 1.554) 14.399 4.713 ( 12.349 -11.531 1.612) 16.972 5.549 ( -5.806 4.531 -4.419) 8.589 5.604 ( -6.370 -1.105 -1.607) 6.662 9.163 ( -10.299 8.364 -3.202) 13.648 9.313 ( -10.999 -6.919 -1.989) 13.146 28.558 ( 6.831 14.848 -0.256) 16.347 28.785 ( 3.210 10.275 0.178) 10.766 28.986 ( 4.219 34.324 0.807) 34.592 30.097 ( -0.052 -61.153 1.393) 61.169 95.909 ( -1.399 18.609 1.064) 18.692 96.271 ( -1.614 -18.877 0.404) 18.950 ======================= Grid point 1023 (500/504) ======================= q-point: ( 0.21 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 4.705 6.251 0.687) 7.854 2.711 ( 2.627 -6.576 5.546) 8.995 3.386 ( 2.420 7.154 0.563) 7.573 3.500 ( 2.730 -4.311 0.946) 5.190 4.214 ( 4.751 6.847 7.216) 11.024 4.329 ( 2.653 -4.017 10.898) 11.914 4.788 ( 14.489 6.252 1.159) 15.823 4.968 ( 14.185 -11.493 1.470) 18.316 5.401 ( -6.591 3.618 -4.523) 8.774 5.458 ( -7.850 -2.109 -2.431) 8.484 8.924 ( -12.976 8.005 -4.303) 15.842 9.067 ( -13.872 -6.606 -3.287) 15.712 28.696 ( 8.452 15.642 -0.516) 17.787 28.840 ( 2.552 33.976 0.779) 34.081 29.092 ( 6.725 10.165 0.573) 12.202 30.106 ( -0.213 -60.580 1.790) 60.606 95.889 ( -1.669 18.379 1.223) 18.495 96.242 ( -1.925 -18.089 0.397) 18.195 ======================= Grid point 1024 (501/504) ======================= q-point: ( 0.29 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 6.107 6.601 -0.212) 8.995 2.806 ( 3.560 -5.602 5.134) 8.391 3.427 ( 1.012 5.161 2.885) 5.999 3.521 ( -0.992 -4.399 1.961) 4.917 4.363 ( 5.379 6.147 7.201) 10.889 4.453 ( 2.682 -2.169 9.238) 9.861 5.030 ( 9.566 5.906 0.615) 11.259 5.181 ( 2.340 -6.969 -0.196) 7.354 5.296 ( 0.709 -1.225 -2.300) 2.701 5.333 ( 0.930 -4.349 -1.429) 4.671 8.652 ( -13.246 7.536 -4.865) 15.997 8.786 ( -13.945 -6.197 -4.100) 15.802 28.834 ( 6.124 26.403 -0.937) 27.120 28.900 ( 4.302 38.246 1.415) 38.513 29.224 ( 7.306 -4.385 0.250) 8.525 30.113 ( -0.427 -60.058 1.876) 60.088 95.867 ( -1.580 18.125 1.113) 18.228 96.210 ( -1.819 -17.245 0.295) 17.343 ======================= Grid point 1025 (502/504) ======================= q-point: ( 0.36 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 6.006 5.904 -1.110) 8.495 2.897 ( 2.806 -4.516 3.454) 6.340 3.469 ( 1.177 2.766 3.477) 4.596 3.512 ( -1.634 -1.805 3.592) 4.339 4.477 ( 2.368 4.887 4.003) 6.747 4.538 ( 0.684 -0.893 6.169) 6.271 5.067 ( -2.662 0.841 0.005) 2.792 5.092 ( -5.535 -1.557 -0.955) 5.828 5.389 ( 9.402 1.711 -0.042) 9.556 5.509 ( 10.736 -10.458 0.785) 15.008 8.397 ( -10.888 7.299 -4.477) 13.851 8.527 ( -11.188 -6.020 -3.833) 13.270 28.890 ( 1.711 49.592 -0.016) 49.621 29.018 ( 6.648 22.819 0.464) 23.772 29.347 ( 5.923 -11.529 0.027) 12.962 30.116 ( -0.550 -59.779 1.596) 59.802 95.848 ( -1.200 17.903 0.818) 17.962 96.182 ( -1.377 -16.523 0.174) 16.581 ======================= Grid point 1026 (503/504) ======================= q-point: ( 0.43 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 910 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 4.424 3.595 -1.339) 5.856 2.944 ( 0.290 -2.739 1.646) 3.208 3.511 ( 1.266 1.843 1.290) 2.581 3.522 ( -0.290 0.502 4.245) 4.284 4.507 ( -0.193 4.045 0.856) 4.139 4.559 ( -1.562 -1.046 2.674) 3.269 5.018 ( -1.954 -0.600 0.703) 2.162 5.031 ( -1.714 -1.700 0.337) 2.438 5.538 ( 6.051 2.398 0.197) 6.511 5.669 ( 6.036 -10.958 0.552) 12.522 8.215 ( -6.144 7.320 -2.758) 9.947 8.346 ( -6.220 -6.079 -2.334) 9.005 28.912 ( 0.712 54.955 0.123) 54.960 29.119 ( 4.019 21.634 0.135) 22.005 29.430 ( 3.243 -15.102 -0.050) 15.447 30.116 ( -0.407 -59.767 0.935) 59.775 95.836 ( -0.640 17.754 0.426) 17.770 96.164 ( -0.732 -16.047 0.076) 16.064 ======================= Grid point 1027 (504/504) ======================= q-point: ( 0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -0.000 0.359 0.000) 0.359 2.934 ( 0.000 0.173 -0.000) 0.173 3.527 ( -0.000 2.240 0.000) 2.240 3.539 ( 0.000 0.823 -0.000) 0.823 4.506 ( -0.000 3.302 -0.000) 3.302 4.547 ( -0.000 -0.883 0.000) 0.883 5.010 ( -0.000 -1.152 -0.000) 1.152 5.014 ( 0.000 -1.375 0.000) 1.375 5.594 ( -0.000 2.377 0.000) 2.377 5.726 ( -0.000 -11.077 0.000) 11.077 8.149 ( -0.000 7.364 0.000) 7.364 8.280 ( -0.000 -6.134 0.000) 6.134 28.919 ( -0.000 56.222 0.000) 56.222 29.157 ( -0.000 21.817 0.000) 21.817 29.460 ( -0.000 -16.285 0.000) 16.285 30.116 ( -0.000 -59.814 0.000) 59.814 95.832 ( -0.000 17.701 0.000) 17.701 96.158 ( -0.000 -15.882 0.000) 15.882 =================== 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 3/32760 10.0 133.359 183.906 185.687 0.000 16.208 0.000 3/32760 20.0 65.929 80.032 74.391 0.000 5.342 0.000 3/32760 30.0 32.637 37.559 33.746 0.000 1.778 0.000 3/32760 40.0 20.210 22.354 19.394 0.000 0.804 0.000 3/32760 50.0 14.444 15.654 13.166 0.000 0.464 0.000 3/32760 60.0 11.176 12.003 9.849 0.000 0.312 0.000 3/32760 70.0 9.082 9.721 7.826 0.000 0.231 0.000 3/32760 80.0 7.637 8.167 6.479 0.000 0.183 0.000 3/32760 90.0 6.586 7.045 5.526 0.000 0.151 0.000 3/32760 100.0 5.790 6.198 4.819 0.000 0.128 0.000 3/32760 110.0 5.168 5.538 4.275 0.000 0.112 0.000 3/32760 120.0 4.669 5.009 3.844 0.000 0.099 0.000 3/32760 130.0 4.260 4.576 3.494 0.000 0.089 0.000 3/32760 140.0 3.919 4.216 3.205 0.000 0.081 0.000 3/32760 150.0 3.629 3.912 2.961 0.000 0.074 0.000 3/32760 160.0 3.380 3.651 2.752 0.000 0.068 0.000 3/32760 170.0 3.164 3.427 2.572 0.000 0.064 0.000 3/32760 180.0 2.974 3.231 2.414 0.000 0.059 0.000 3/32760 190.0 2.806 3.060 2.275 0.000 0.056 0.000 3/32760 200.0 2.656 2.908 2.152 0.000 0.053 0.000 3/32760 210.0 2.522 2.773 2.041 0.000 0.050 0.000 3/32760 220.0 2.401 2.653 1.941 0.000 0.047 0.000 3/32760 230.0 2.290 2.545 1.851 0.000 0.045 0.000 3/32760 240.0 2.190 2.447 1.769 0.000 0.043 0.000 3/32760 250.0 2.098 2.358 1.694 0.000 0.041 0.000 3/32760 260.0 2.013 2.277 1.625 0.000 0.039 0.000 3/32760 270.0 1.935 2.203 1.561 0.000 0.038 0.000 3/32760 280.0 1.863 2.134 1.502 0.000 0.036 0.000 3/32760 290.0 1.796 2.071 1.448 0.000 0.035 0.000 3/32760 300.0 1.734 2.012 1.397 0.000 0.034 0.000 3/32760 310.0 1.676 1.958 1.350 0.000 0.033 0.000 3/32760 320.0 1.622 1.906 1.306 0.000 0.032 0.000 3/32760 330.0 1.571 1.859 1.264 0.000 0.031 0.000 3/32760 340.0 1.523 1.814 1.225 0.000 0.030 0.000 3/32760 350.0 1.478 1.771 1.189 0.000 0.029 0.000 3/32760 360.0 1.436 1.731 1.155 0.000 0.028 0.000 3/32760 370.0 1.396 1.693 1.122 0.000 0.027 0.000 3/32760 380.0 1.358 1.657 1.091 0.000 0.026 0.000 3/32760 390.0 1.322 1.623 1.062 0.000 0.026 0.000 3/32760 400.0 1.288 1.590 1.035 0.000 0.025 0.000 3/32760 410.0 1.256 1.558 1.009 0.000 0.024 0.000 3/32760 420.0 1.225 1.529 0.984 0.000 0.024 0.000 3/32760 430.0 1.196 1.500 0.960 0.000 0.023 0.000 3/32760 440.0 1.168 1.472 0.938 0.000 0.023 0.000 3/32760 450.0 1.141 1.446 0.916 0.000 0.022 0.000 3/32760 460.0 1.116 1.421 0.896 0.000 0.022 0.000 3/32760 470.0 1.092 1.396 0.876 0.000 0.021 0.000 3/32760 480.0 1.069 1.373 0.857 0.000 0.021 0.000 3/32760 490.0 1.046 1.350 0.839 0.000 0.020 0.000 3/32760 500.0 1.025 1.328 0.822 0.000 0.020 0.000 3/32760 510.0 1.004 1.307 0.806 0.000 0.019 0.000 3/32760 520.0 0.985 1.286 0.790 0.000 0.019 0.000 3/32760 530.0 0.966 1.266 0.774 0.000 0.019 0.000 3/32760 540.0 0.948 1.247 0.760 0.000 0.018 0.000 3/32760 550.0 0.930 1.229 0.746 0.000 0.018 0.000 3/32760 560.0 0.913 1.211 0.732 0.000 0.018 0.000 3/32760 570.0 0.897 1.193 0.719 0.000 0.017 0.000 3/32760 580.0 0.881 1.176 0.706 0.000 0.017 0.000 3/32760 590.0 0.866 1.160 0.694 0.000 0.017 0.000 3/32760 600.0 0.852 1.144 0.682 0.000 0.016 0.000 3/32760 610.0 0.837 1.129 0.671 0.000 0.016 0.000 3/32760 620.0 0.824 1.114 0.660 0.000 0.016 0.000 3/32760 630.0 0.811 1.099 0.649 0.000 0.016 0.000 3/32760 640.0 0.798 1.085 0.639 0.000 0.015 0.000 3/32760 650.0 0.785 1.071 0.629 0.000 0.015 0.000 3/32760 660.0 0.773 1.058 0.619 0.000 0.015 0.000 3/32760 670.0 0.762 1.045 0.610 0.000 0.015 0.000 3/32760 680.0 0.750 1.032 0.601 0.000 0.015 0.000 3/32760 690.0 0.739 1.020 0.592 0.000 0.014 0.000 3/32760 700.0 0.729 1.008 0.583 0.000 0.014 0.000 3/32760 710.0 0.718 0.996 0.575 0.000 0.014 0.000 3/32760 720.0 0.708 0.985 0.567 0.000 0.014 0.000 3/32760 730.0 0.699 0.974 0.559 0.000 0.014 0.000 3/32760 740.0 0.689 0.963 0.551 0.000 0.013 0.000 3/32760 750.0 0.680 0.952 0.544 0.000 0.013 0.000 3/32760 760.0 0.671 0.942 0.537 0.000 0.013 0.000 3/32760 770.0 0.662 0.932 0.530 0.000 0.013 0.000 3/32760 780.0 0.654 0.922 0.523 0.000 0.013 0.000 3/32760 790.0 0.645 0.912 0.516 0.000 0.012 0.000 3/32760 800.0 0.637 0.903 0.510 0.000 0.012 0.000 3/32760 810.0 0.629 0.894 0.503 0.000 0.012 0.000 3/32760 820.0 0.622 0.885 0.497 0.000 0.012 0.000 3/32760 830.0 0.614 0.876 0.491 0.000 0.012 0.000 3/32760 840.0 0.607 0.868 0.485 0.000 0.012 0.000 3/32760 850.0 0.600 0.859 0.480 0.000 0.012 0.000 3/32760 860.0 0.593 0.851 0.474 0.000 0.011 0.000 3/32760 870.0 0.586 0.843 0.469 0.000 0.011 0.000 3/32760 880.0 0.579 0.836 0.463 0.000 0.011 0.000 3/32760 890.0 0.573 0.828 0.458 0.000 0.011 0.000 3/32760 900.0 0.566 0.820 0.453 0.000 0.011 0.000 3/32760 910.0 0.560 0.813 0.448 0.000 0.011 0.000 3/32760 920.0 0.554 0.806 0.443 0.000 0.011 0.000 3/32760 930.0 0.548 0.799 0.438 0.000 0.011 0.000 3/32760 940.0 0.542 0.792 0.434 0.000 0.010 0.000 3/32760 950.0 0.537 0.785 0.429 0.000 0.010 0.000 3/32760 960.0 0.531 0.779 0.425 0.000 0.010 0.000 3/32760 970.0 0.526 0.772 0.420 0.000 0.010 0.000 3/32760 980.0 0.520 0.766 0.416 0.000 0.010 0.000 3/32760 990.0 0.515 0.760 0.412 0.000 0.010 0.000 3/32760 1000.0 0.510 0.754 0.408 0.000 0.010 0.000 3/32760 Thermal conductivity related properties were written into "kappa-m141310.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:39:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|