----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.354474845302221 -2.877457215000000 0.000000000000000 b 6.354474845302221 2.877457215000000 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): *1 K 0.11588038865123 0.11588038865123 0.48163676787826 39.098 2 K 0.88411961134877 0.88411961134877 0.51836323212174 39.098 *3 La 0.12993405100751 0.12993405100751 0.92878917847091 138.905 4 La 0.87006594899249 0.87006594899249 0.07121082152909 138.905 *5 La 0.58898383068748 0.58898383068748 0.20509096463685 138.905 6 La 0.41101616931252 0.41101616931252 0.79490903536315 138.905 *7 Nb 0.34113648857067 0.34113648857067 0.29594835371898 92.906 8 Nb 0.65886351142933 0.65886351142933 0.70405164628102 92.906 *9 O 0.77996900724034 0.31537890835563 0.70883579011703 15.999 10 O 0.68462109164437 0.22003099275966 0.29116420988297 15.999 *11 O 0.74798829149936 0.25201170850064 0.00000000000000 15.999 *12 O 0.00288175643821 0.46972870461388 0.16668636995574 15.999 13 O 0.22003099275966 0.68462109164437 0.29116420988297 15.999 14 O 0.99711824356178 0.53027129538612 0.83331363004426 15.999 15 O 0.53027129538612 0.99711824356178 0.83331363004426 15.999 *16 O 0.67543514951743 0.67543514951743 0.50311399643263 15.999 17 O 0.32456485048257 0.32456485048257 0.49688600356737 15.999 18 O 0.25201170850064 0.74798829149936 0.00000000000000 15.999 19 O 0.46972870461388 0.00288175643822 0.16668636995574 15.999 20 O 0.31537890835563 0.77996900724034 0.70883579011703 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.708949690604442 0.000000000000000 0.000000000000000 b 0.000000000000000 5.754914430000000 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): *1 K 0.11588038865123 0.00000000000000 0.48163676787826 39.098 > 1 2 K 0.38411961134876 0.50000000000000 0.51836323212174 39.098 > 2 3 K 0.61588038865123 0.50000000000000 0.48163676787826 39.098 > 1 4 K 0.88411961134877 0.00000000000000 0.51836323212174 39.098 > 2 *5 La 0.12993405100751 0.00000000000000 0.92878917847091 138.905 > 3 6 La 0.37006594899249 0.50000000000000 0.07121082152909 138.905 > 4 *7 La 0.08898383068748 0.50000000000000 0.20509096463685 138.905 > 5 8 La 0.41101616931252 0.00000000000000 0.79490903536315 138.905 > 6 9 La 0.62993405100751 0.50000000000000 0.92878917847091 138.905 > 3 10 La 0.87006594899249 0.00000000000000 0.07121082152909 138.905 > 4 11 La 0.58898383068748 0.00000000000000 0.20509096463685 138.905 > 5 12 La 0.91101616931252 0.50000000000000 0.79490903536315 138.905 > 6 *13 Nb 0.34113648857067 0.00000000000000 0.29594835371898 92.906 > 7 14 Nb 0.15886351142933 0.50000000000000 0.70405164628102 92.906 > 8 15 Nb 0.84113648857067 0.50000000000000 0.29594835371898 92.906 > 7 16 Nb 0.65886351142933 0.00000000000000 0.70405164628102 92.906 > 8 *17 O 0.04767395779799 0.26770495055765 0.70883579011703 15.999 > 9 18 O 0.45232604220201 0.76770495055765 0.29116420988297 15.999 > 10 *19 O 0.00000000000000 0.25201170850064 0.00000000000000 15.999 > 11 *20 O 0.23630523052605 0.23342347408783 0.16668636995574 15.999 > 12 21 O 0.45232604220201 0.23229504944235 0.29116420988297 15.999 > 13 22 O 0.26369476947395 0.26657652591217 0.83331363004426 15.999 > 14 23 O 0.26369476947395 0.73342347408783 0.83331363004426 15.999 > 15 *24 O 0.17543514951743 0.50000000000000 0.50311399643263 15.999 > 16 25 O 0.32456485048257 0.00000000000000 0.49688600356737 15.999 > 17 26 O 0.00000000000000 0.74798829149936 0.00000000000000 15.999 > 18 27 O 0.23630523052605 0.76657652591217 0.16668636995574 15.999 > 19 28 O 0.04767395779799 0.73229504944235 0.70883579011703 15.999 > 20 29 O 0.54767395779799 0.76770495055765 0.70883579011703 15.999 > 9 30 O 0.95232604220201 0.26770495055765 0.29116420988297 15.999 > 10 31 O 0.50000000000000 0.75201170850064 0.00000000000000 15.999 > 11 32 O 0.73630523052605 0.73342347408783 0.16668636995574 15.999 > 12 33 O 0.95232604220201 0.73229504944235 0.29116420988297 15.999 > 13 34 O 0.76369476947395 0.76657652591217 0.83331363004426 15.999 > 14 35 O 0.76369476947395 0.23342347408783 0.83331363004426 15.999 > 15 36 O 0.67543514951743 0.00000000000000 0.50311399643263 15.999 > 16 37 O 0.82456485048257 0.50000000000000 0.49688600356737 15.999 > 17 38 O 0.50000000000000 0.24798829149936 0.00000000000000 15.999 > 18 39 O 0.73630523052605 0.26657652591217 0.16668636995574 15.999 > 19 40 O 0.54767395779799 0.23229504944235 0.70883579011703 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.708949690604442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.509828860000001 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): *1 K 0.11588038865123 0.00000000000000 0.48163676787826 39.098 > 1 2 K 0.11588038865123 0.50000000000000 0.48163676787826 39.098 > 1 3 K 0.38411961134876 0.25000000000000 0.51836323212174 39.098 > 2 4 K 0.38411961134876 0.75000000000000 0.51836323212174 39.098 > 2 5 K 0.61588038865123 0.25000000000000 0.48163676787826 39.098 > 1 6 K 0.61588038865123 0.75000000000000 0.48163676787826 39.098 > 1 7 K 0.88411961134877 0.00000000000000 0.51836323212174 39.098 > 2 8 K 0.88411961134877 0.50000000000000 0.51836323212174 39.098 > 2 *9 La 0.12993405100751 0.00000000000000 0.92878917847091 138.905 > 3 10 La 0.12993405100751 0.50000000000000 0.92878917847091 138.905 > 3 11 La 0.37006594899249 0.25000000000000 0.07121082152909 138.905 > 4 12 La 0.37006594899249 0.75000000000000 0.07121082152909 138.905 > 4 *13 La 0.08898383068748 0.25000000000000 0.20509096463685 138.905 > 5 14 La 0.08898383068748 0.75000000000000 0.20509096463685 138.905 > 5 15 La 0.41101616931252 0.00000000000000 0.79490903536315 138.905 > 6 16 La 0.41101616931252 0.50000000000000 0.79490903536315 138.905 > 6 17 La 0.62993405100751 0.25000000000000 0.92878917847091 138.905 > 3 18 La 0.62993405100751 0.75000000000000 0.92878917847091 138.905 > 3 19 La 0.87006594899249 0.00000000000000 0.07121082152909 138.905 > 4 20 La 0.87006594899249 0.50000000000000 0.07121082152909 138.905 > 4 21 La 0.58898383068748 0.00000000000000 0.20509096463685 138.905 > 5 22 La 0.58898383068748 0.50000000000000 0.20509096463685 138.905 > 5 23 La 0.91101616931252 0.25000000000000 0.79490903536315 138.905 > 6 24 La 0.91101616931252 0.75000000000000 0.79490903536315 138.905 > 6 *25 Nb 0.34113648857067 0.00000000000000 0.29594835371898 92.906 > 7 26 Nb 0.34113648857067 0.50000000000000 0.29594835371898 92.906 > 7 27 Nb 0.15886351142933 0.25000000000000 0.70405164628102 92.906 > 8 28 Nb 0.15886351142933 0.75000000000000 0.70405164628102 92.906 > 8 29 Nb 0.84113648857067 0.25000000000000 0.29594835371898 92.906 > 7 30 Nb 0.84113648857067 0.75000000000000 0.29594835371898 92.906 > 7 31 Nb 0.65886351142933 0.00000000000000 0.70405164628102 92.906 > 8 32 Nb 0.65886351142933 0.50000000000000 0.70405164628102 92.906 > 8 *33 O 0.04767395779799 0.13385247527882 0.70883579011703 15.999 > 9 34 O 0.04767395779799 0.63385247527882 0.70883579011703 15.999 > 9 35 O 0.45232604220201 0.38385247527882 0.29116420988297 15.999 > 10 36 O 0.45232604220201 0.88385247527882 0.29116420988297 15.999 > 10 *37 O 0.00000000000000 0.12600585425032 0.00000000000000 15.999 > 11 38 O 0.00000000000000 0.62600585425032 0.00000000000000 15.999 > 11 *39 O 0.23630523052605 0.11671173704392 0.16668636995574 15.999 > 12 40 O 0.23630523052605 0.61671173704392 0.16668636995574 15.999 > 12 41 O 0.45232604220201 0.11614752472118 0.29116420988297 15.999 > 13 42 O 0.45232604220201 0.61614752472118 0.29116420988297 15.999 > 13 43 O 0.26369476947395 0.13328826295608 0.83331363004426 15.999 > 14 44 O 0.26369476947395 0.63328826295608 0.83331363004426 15.999 > 14 45 O 0.26369476947395 0.36671173704392 0.83331363004426 15.999 > 15 46 O 0.26369476947395 0.86671173704392 0.83331363004426 15.999 > 15 *47 O 0.17543514951743 0.25000000000000 0.50311399643263 15.999 > 16 48 O 0.17543514951743 0.75000000000000 0.50311399643263 15.999 > 16 49 O 0.32456485048257 0.00000000000000 0.49688600356737 15.999 > 17 50 O 0.32456485048257 0.50000000000000 0.49688600356737 15.999 > 17 51 O 0.00000000000000 0.37399414574968 0.00000000000000 15.999 > 18 52 O 0.00000000000000 0.87399414574968 0.00000000000000 15.999 > 18 53 O 0.23630523052605 0.38328826295608 0.16668636995574 15.999 > 19 54 O 0.23630523052605 0.88328826295608 0.16668636995574 15.999 > 19 55 O 0.04767395779799 0.36614752472118 0.70883579011703 15.999 > 20 56 O 0.04767395779799 0.86614752472118 0.70883579011703 15.999 > 20 57 O 0.54767395779799 0.38385247527882 0.70883579011703 15.999 > 9 58 O 0.54767395779799 0.88385247527882 0.70883579011703 15.999 > 9 59 O 0.95232604220201 0.13385247527882 0.29116420988297 15.999 > 10 60 O 0.95232604220201 0.63385247527882 0.29116420988297 15.999 > 10 61 O 0.50000000000000 0.37600585425032 0.00000000000000 15.999 > 11 62 O 0.50000000000000 0.87600585425032 0.00000000000000 15.999 > 11 63 O 0.73630523052605 0.36671173704392 0.16668636995574 15.999 > 12 64 O 0.73630523052605 0.86671173704392 0.16668636995574 15.999 > 12 65 O 0.95232604220201 0.36614752472118 0.29116420988297 15.999 > 13 66 O 0.95232604220201 0.86614752472118 0.29116420988297 15.999 > 13 67 O 0.76369476947395 0.38328826295608 0.83331363004426 15.999 > 14 68 O 0.76369476947395 0.88328826295608 0.83331363004426 15.999 > 14 69 O 0.76369476947395 0.11671173704392 0.83331363004426 15.999 > 15 70 O 0.76369476947395 0.61671173704392 0.83331363004426 15.999 > 15 71 O 0.67543514951743 0.00000000000000 0.50311399643263 15.999 > 16 72 O 0.67543514951743 0.50000000000000 0.50311399643263 15.999 > 16 73 O 0.82456485048257 0.25000000000000 0.49688600356737 15.999 > 17 74 O 0.82456485048257 0.75000000000000 0.49688600356737 15.999 > 17 75 O 0.50000000000000 0.12399414574968 0.00000000000000 15.999 > 18 76 O 0.50000000000000 0.62399414574968 0.00000000000000 15.999 > 18 77 O 0.73630523052605 0.13328826295608 0.16668636995574 15.999 > 19 78 O 0.73630523052605 0.63328826295608 0.16668636995574 15.999 > 19 79 O 0.54767395779799 0.11614752472118 0.70883579011703 15.999 > 20 80 O 0.54767395779799 0.61614752472118 0.70883579011703 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2681895 0.0000000 0.0010053 0.0000000 4.3071064 0.0000000 0.0002746 0.0000000 4.1186750 -------------------------- Born effective charges -------------------------- 1 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 2 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 3 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 4 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 5 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 6 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 7 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 8 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 9 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 10 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 11 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 12 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 13 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 14 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 15 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 16 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 17 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 18 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 19 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 20 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1870), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 439), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.216 Solver_block: 200 / 640 - Time: 2.212 Solver_block: 300 / 640 - Time: 2.213 Solver_block: 400 / 640 - Time: 2.207 Solver_block: 500 / 640 - Time: 2.215 Solver_block: 600 / 640 - Time: 2.212 Solver_block: 640 / 640 - Time: 0.953 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.278 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1870), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 439), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:56:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:56:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.354474845302221 -2.877457215000000 0.000000000000000 b 6.354474845302221 2.877457215000000 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): 1 K 0.11588038865123 0.11588038865123 0.48163676787826 39.098 2 K 0.88411961134877 0.88411961134877 0.51836323212174 39.098 3 La 0.12993405100751 0.12993405100751 0.92878917847091 138.905 4 La 0.87006594899249 0.87006594899249 0.07121082152909 138.905 5 La 0.58898383068748 0.58898383068748 0.20509096463685 138.905 6 La 0.41101616931252 0.41101616931252 0.79490903536315 138.905 7 Nb 0.34113648857067 0.34113648857067 0.29594835371898 92.906 8 Nb 0.65886351142933 0.65886351142933 0.70405164628102 92.906 9 O 0.77996900724034 0.31537890835563 0.70883579011703 15.999 10 O 0.68462109164437 0.22003099275966 0.29116420988297 15.999 11 O 0.74798829149936 0.25201170850064 0.00000000000000 15.999 12 O 0.00288175643821 0.46972870461388 0.16668636995574 15.999 13 O 0.22003099275966 0.68462109164437 0.29116420988297 15.999 14 O 0.99711824356178 0.53027129538612 0.83331363004426 15.999 15 O 0.53027129538612 0.99711824356178 0.83331363004426 15.999 16 O 0.67543514951743 0.67543514951743 0.50311399643263 15.999 17 O 0.32456485048257 0.32456485048257 0.49688600356737 15.999 18 O 0.25201170850064 0.74798829149936 0.00000000000000 15.999 19 O 0.46972870461388 0.00288175643822 0.16668636995574 15.999 20 O 0.31537890835563 0.77996900724034 0.70883579011703 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.708949690604442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.509828860000001 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): 1 K 0.11588038865123 0.00000000000000 0.48163676787826 39.098 > 1 2 K 0.11588038865123 0.50000000000000 0.48163676787826 39.098 > 1 3 K 0.38411961134876 0.25000000000000 0.51836323212174 39.098 > 3 4 K 0.38411961134876 0.75000000000000 0.51836323212174 39.098 > 3 5 K 0.61588038865123 0.25000000000000 0.48163676787826 39.098 > 1 6 K 0.61588038865123 0.75000000000000 0.48163676787826 39.098 > 1 7 K 0.88411961134877 0.00000000000000 0.51836323212174 39.098 > 3 8 K 0.88411961134877 0.50000000000000 0.51836323212174 39.098 > 3 9 La 0.12993405100751 0.00000000000000 0.92878917847091 138.905 > 9 10 La 0.12993405100751 0.50000000000000 0.92878917847091 138.905 > 9 11 La 0.37006594899249 0.25000000000000 0.07121082152909 138.905 > 11 12 La 0.37006594899249 0.75000000000000 0.07121082152909 138.905 > 11 13 La 0.08898383068748 0.25000000000000 0.20509096463685 138.905 > 13 14 La 0.08898383068748 0.75000000000000 0.20509096463685 138.905 > 13 15 La 0.41101616931252 0.00000000000000 0.79490903536315 138.905 > 15 16 La 0.41101616931252 0.50000000000000 0.79490903536315 138.905 > 15 17 La 0.62993405100751 0.25000000000000 0.92878917847091 138.905 > 9 18 La 0.62993405100751 0.75000000000000 0.92878917847091 138.905 > 9 19 La 0.87006594899249 0.00000000000000 0.07121082152909 138.905 > 11 20 La 0.87006594899249 0.50000000000000 0.07121082152909 138.905 > 11 21 La 0.58898383068748 0.00000000000000 0.20509096463685 138.905 > 13 22 La 0.58898383068748 0.50000000000000 0.20509096463685 138.905 > 13 23 La 0.91101616931252 0.25000000000000 0.79490903536315 138.905 > 15 24 La 0.91101616931252 0.75000000000000 0.79490903536315 138.905 > 15 25 Nb 0.34113648857067 0.00000000000000 0.29594835371898 92.906 > 25 26 Nb 0.34113648857067 0.50000000000000 0.29594835371898 92.906 > 25 27 Nb 0.15886351142933 0.25000000000000 0.70405164628102 92.906 > 27 28 Nb 0.15886351142933 0.75000000000000 0.70405164628102 92.906 > 27 29 Nb 0.84113648857067 0.25000000000000 0.29594835371898 92.906 > 25 30 Nb 0.84113648857067 0.75000000000000 0.29594835371898 92.906 > 25 31 Nb 0.65886351142933 0.00000000000000 0.70405164628102 92.906 > 27 32 Nb 0.65886351142933 0.50000000000000 0.70405164628102 92.906 > 27 33 O 0.04767395779799 0.13385247527882 0.70883579011703 15.999 > 33 34 O 0.04767395779799 0.63385247527882 0.70883579011703 15.999 > 33 35 O 0.45232604220201 0.38385247527882 0.29116420988297 15.999 > 35 36 O 0.45232604220201 0.88385247527882 0.29116420988297 15.999 > 35 37 O 0.00000000000000 0.12600585425032 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.62600585425032 0.00000000000000 15.999 > 37 39 O 0.23630523052605 0.11671173704392 0.16668636995574 15.999 > 39 40 O 0.23630523052605 0.61671173704392 0.16668636995574 15.999 > 39 41 O 0.45232604220201 0.11614752472118 0.29116420988297 15.999 > 41 42 O 0.45232604220201 0.61614752472118 0.29116420988297 15.999 > 41 43 O 0.26369476947395 0.13328826295608 0.83331363004426 15.999 > 43 44 O 0.26369476947395 0.63328826295608 0.83331363004426 15.999 > 43 45 O 0.26369476947395 0.36671173704392 0.83331363004426 15.999 > 45 46 O 0.26369476947395 0.86671173704392 0.83331363004426 15.999 > 45 47 O 0.17543514951743 0.25000000000000 0.50311399643263 15.999 > 47 48 O 0.17543514951743 0.75000000000000 0.50311399643263 15.999 > 47 49 O 0.32456485048257 0.00000000000000 0.49688600356737 15.999 > 49 50 O 0.32456485048257 0.50000000000000 0.49688600356737 15.999 > 49 51 O 0.00000000000000 0.37399414574968 0.00000000000000 15.999 > 51 52 O 0.00000000000000 0.87399414574968 0.00000000000000 15.999 > 51 53 O 0.23630523052605 0.38328826295608 0.16668636995574 15.999 > 53 54 O 0.23630523052605 0.88328826295608 0.16668636995574 15.999 > 53 55 O 0.04767395779799 0.36614752472118 0.70883579011703 15.999 > 55 56 O 0.04767395779799 0.86614752472118 0.70883579011703 15.999 > 55 57 O 0.54767395779799 0.38385247527882 0.70883579011703 15.999 > 33 58 O 0.54767395779799 0.88385247527882 0.70883579011703 15.999 > 33 59 O 0.95232604220201 0.13385247527882 0.29116420988297 15.999 > 35 60 O 0.95232604220201 0.63385247527882 0.29116420988297 15.999 > 35 61 O 0.50000000000000 0.37600585425032 0.00000000000000 15.999 > 37 62 O 0.50000000000000 0.87600585425032 0.00000000000000 15.999 > 37 63 O 0.73630523052605 0.36671173704392 0.16668636995574 15.999 > 39 64 O 0.73630523052605 0.86671173704392 0.16668636995574 15.999 > 39 65 O 0.95232604220201 0.36614752472118 0.29116420988297 15.999 > 41 66 O 0.95232604220201 0.86614752472118 0.29116420988297 15.999 > 41 67 O 0.76369476947395 0.38328826295608 0.83331363004426 15.999 > 43 68 O 0.76369476947395 0.88328826295608 0.83331363004426 15.999 > 43 69 O 0.76369476947395 0.11671173704392 0.83331363004426 15.999 > 45 70 O 0.76369476947395 0.61671173704392 0.83331363004426 15.999 > 45 71 O 0.67543514951743 0.00000000000000 0.50311399643263 15.999 > 47 72 O 0.67543514951743 0.50000000000000 0.50311399643263 15.999 > 47 73 O 0.82456485048257 0.25000000000000 0.49688600356737 15.999 > 49 74 O 0.82456485048257 0.75000000000000 0.49688600356737 15.999 > 49 75 O 0.50000000000000 0.12399414574968 0.00000000000000 15.999 > 51 76 O 0.50000000000000 0.62399414574968 0.00000000000000 15.999 > 51 77 O 0.73630523052605 0.13328826295608 0.16668636995574 15.999 > 53 78 O 0.73630523052605 0.63328826295608 0.16668636995574 15.999 > 53 79 O 0.54767395779799 0.11614752472118 0.70883579011703 15.999 > 55 80 O 0.54767395779799 0.61614752472118 0.70883579011703 15.999 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2681895 0.0000000 0.0010053 0.0000000 4.3071064 0.0000000 0.0002746 0.0000000 4.1186750 -------------------------- Born effective charges -------------------------- 1 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 2 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 3 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 4 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 5 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 6 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 7 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 8 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 9 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 10 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 11 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 12 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 13 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 14 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 15 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 16 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 17 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 18 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 19 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 20 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 13, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 39, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 47, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 10:56:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:56:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.354474845302221 -2.877457215000000 0.000000000000000 b 6.354474845302221 2.877457215000000 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): 1 K 0.11588038865123 0.11588038865123 0.48163676787826 39.098 2 K 0.88411961134877 0.88411961134877 0.51836323212174 39.098 3 La 0.12993405100751 0.12993405100751 0.92878917847091 138.905 4 La 0.87006594899249 0.87006594899249 0.07121082152909 138.905 5 La 0.58898383068748 0.58898383068748 0.20509096463685 138.905 6 La 0.41101616931252 0.41101616931252 0.79490903536315 138.905 7 Nb 0.34113648857067 0.34113648857067 0.29594835371898 92.906 8 Nb 0.65886351142933 0.65886351142933 0.70405164628102 92.906 9 O 0.77996900724034 0.31537890835563 0.70883579011703 15.999 10 O 0.68462109164437 0.22003099275966 0.29116420988297 15.999 11 O 0.74798829149936 0.25201170850064 0.00000000000000 15.999 12 O 0.00288175643821 0.46972870461388 0.16668636995574 15.999 13 O 0.22003099275966 0.68462109164437 0.29116420988297 15.999 14 O 0.99711824356178 0.53027129538612 0.83331363004426 15.999 15 O 0.53027129538612 0.99711824356178 0.83331363004426 15.999 16 O 0.67543514951743 0.67543514951743 0.50311399643263 15.999 17 O 0.32456485048257 0.32456485048257 0.49688600356737 15.999 18 O 0.25201170850064 0.74798829149936 0.00000000000000 15.999 19 O 0.46972870461388 0.00288175643822 0.16668636995574 15.999 20 O 0.31537890835563 0.77996900724034 0.70883579011703 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.708949690604442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.509828860000001 0.000000000000000 c -2.469416518137581 0.000000000000000 8.531557416261526 Atomic positions (fractional): 1 K 0.11588038865123 0.00000000000000 0.48163676787826 39.098 > 1 2 K 0.11588038865123 0.50000000000000 0.48163676787826 39.098 > 1 3 K 0.38411961134876 0.25000000000000 0.51836323212174 39.098 > 3 4 K 0.38411961134876 0.75000000000000 0.51836323212174 39.098 > 3 5 K 0.61588038865123 0.25000000000000 0.48163676787826 39.098 > 1 6 K 0.61588038865123 0.75000000000000 0.48163676787826 39.098 > 1 7 K 0.88411961134877 0.00000000000000 0.51836323212174 39.098 > 3 8 K 0.88411961134877 0.50000000000000 0.51836323212174 39.098 > 3 9 La 0.12993405100751 0.00000000000000 0.92878917847091 138.905 > 9 10 La 0.12993405100751 0.50000000000000 0.92878917847091 138.905 > 9 11 La 0.37006594899249 0.25000000000000 0.07121082152909 138.905 > 11 12 La 0.37006594899249 0.75000000000000 0.07121082152909 138.905 > 11 13 La 0.08898383068748 0.25000000000000 0.20509096463685 138.905 > 13 14 La 0.08898383068748 0.75000000000000 0.20509096463685 138.905 > 13 15 La 0.41101616931252 0.00000000000000 0.79490903536315 138.905 > 15 16 La 0.41101616931252 0.50000000000000 0.79490903536315 138.905 > 15 17 La 0.62993405100751 0.25000000000000 0.92878917847091 138.905 > 9 18 La 0.62993405100751 0.75000000000000 0.92878917847091 138.905 > 9 19 La 0.87006594899249 0.00000000000000 0.07121082152909 138.905 > 11 20 La 0.87006594899249 0.50000000000000 0.07121082152909 138.905 > 11 21 La 0.58898383068748 0.00000000000000 0.20509096463685 138.905 > 13 22 La 0.58898383068748 0.50000000000000 0.20509096463685 138.905 > 13 23 La 0.91101616931252 0.25000000000000 0.79490903536315 138.905 > 15 24 La 0.91101616931252 0.75000000000000 0.79490903536315 138.905 > 15 25 Nb 0.34113648857067 0.00000000000000 0.29594835371898 92.906 > 25 26 Nb 0.34113648857067 0.50000000000000 0.29594835371898 92.906 > 25 27 Nb 0.15886351142933 0.25000000000000 0.70405164628102 92.906 > 27 28 Nb 0.15886351142933 0.75000000000000 0.70405164628102 92.906 > 27 29 Nb 0.84113648857067 0.25000000000000 0.29594835371898 92.906 > 25 30 Nb 0.84113648857067 0.75000000000000 0.29594835371898 92.906 > 25 31 Nb 0.65886351142933 0.00000000000000 0.70405164628102 92.906 > 27 32 Nb 0.65886351142933 0.50000000000000 0.70405164628102 92.906 > 27 33 O 0.04767395779799 0.13385247527882 0.70883579011703 15.999 > 33 34 O 0.04767395779799 0.63385247527882 0.70883579011703 15.999 > 33 35 O 0.45232604220201 0.38385247527882 0.29116420988297 15.999 > 35 36 O 0.45232604220201 0.88385247527882 0.29116420988297 15.999 > 35 37 O 0.00000000000000 0.12600585425032 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.62600585425032 0.00000000000000 15.999 > 37 39 O 0.23630523052605 0.11671173704392 0.16668636995574 15.999 > 39 40 O 0.23630523052605 0.61671173704392 0.16668636995574 15.999 > 39 41 O 0.45232604220201 0.11614752472118 0.29116420988297 15.999 > 41 42 O 0.45232604220201 0.61614752472118 0.29116420988297 15.999 > 41 43 O 0.26369476947395 0.13328826295608 0.83331363004426 15.999 > 43 44 O 0.26369476947395 0.63328826295608 0.83331363004426 15.999 > 43 45 O 0.26369476947395 0.36671173704392 0.83331363004426 15.999 > 45 46 O 0.26369476947395 0.86671173704392 0.83331363004426 15.999 > 45 47 O 0.17543514951743 0.25000000000000 0.50311399643263 15.999 > 47 48 O 0.17543514951743 0.75000000000000 0.50311399643263 15.999 > 47 49 O 0.32456485048257 0.00000000000000 0.49688600356737 15.999 > 49 50 O 0.32456485048257 0.50000000000000 0.49688600356737 15.999 > 49 51 O 0.00000000000000 0.37399414574968 0.00000000000000 15.999 > 51 52 O 0.00000000000000 0.87399414574968 0.00000000000000 15.999 > 51 53 O 0.23630523052605 0.38328826295608 0.16668636995574 15.999 > 53 54 O 0.23630523052605 0.88328826295608 0.16668636995574 15.999 > 53 55 O 0.04767395779799 0.36614752472118 0.70883579011703 15.999 > 55 56 O 0.04767395779799 0.86614752472118 0.70883579011703 15.999 > 55 57 O 0.54767395779799 0.38385247527882 0.70883579011703 15.999 > 33 58 O 0.54767395779799 0.88385247527882 0.70883579011703 15.999 > 33 59 O 0.95232604220201 0.13385247527882 0.29116420988297 15.999 > 35 60 O 0.95232604220201 0.63385247527882 0.29116420988297 15.999 > 35 61 O 0.50000000000000 0.37600585425032 0.00000000000000 15.999 > 37 62 O 0.50000000000000 0.87600585425032 0.00000000000000 15.999 > 37 63 O 0.73630523052605 0.36671173704392 0.16668636995574 15.999 > 39 64 O 0.73630523052605 0.86671173704392 0.16668636995574 15.999 > 39 65 O 0.95232604220201 0.36614752472118 0.29116420988297 15.999 > 41 66 O 0.95232604220201 0.86614752472118 0.29116420988297 15.999 > 41 67 O 0.76369476947395 0.38328826295608 0.83331363004426 15.999 > 43 68 O 0.76369476947395 0.88328826295608 0.83331363004426 15.999 > 43 69 O 0.76369476947395 0.11671173704392 0.83331363004426 15.999 > 45 70 O 0.76369476947395 0.61671173704392 0.83331363004426 15.999 > 45 71 O 0.67543514951743 0.00000000000000 0.50311399643263 15.999 > 47 72 O 0.67543514951743 0.50000000000000 0.50311399643263 15.999 > 47 73 O 0.82456485048257 0.25000000000000 0.49688600356737 15.999 > 49 74 O 0.82456485048257 0.75000000000000 0.49688600356737 15.999 > 49 75 O 0.50000000000000 0.12399414574968 0.00000000000000 15.999 > 51 76 O 0.50000000000000 0.62399414574968 0.00000000000000 15.999 > 51 77 O 0.73630523052605 0.13328826295608 0.16668636995574 15.999 > 53 78 O 0.73630523052605 0.63328826295608 0.16668636995574 15.999 > 53 79 O 0.54767395779799 0.11614752472118 0.70883579011703 15.999 > 55 80 O 0.54767395779799 0.61614752472118 0.70883579011703 15.999 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2681895 0.0000000 0.0010053 0.0000000 4.3071064 0.0000000 0.0002746 0.0000000 4.1186750 -------------------------- Born effective charges -------------------------- 1 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 2 K 1.2352068 0.0000000 0.1336528 0.0000000 1.3422347 0.0000000 -0.0188670 -0.0000000 1.2713322 3 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 4 La 3.7756003 0.0000000 -0.3499155 0.0000000 4.6383871 0.0000000 -0.2222347 -0.0000000 3.7136042 5 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 6 La 4.8307043 0.0000000 -0.4748431 0.0000000 3.6856377 0.0000000 0.3585329 -0.0000000 4.3356199 7 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 8 Nb 4.7812565 0.0000000 0.8628169 0.0000000 5.1304759 0.0000000 0.1552471 -0.0000000 3.9298921 9 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 10 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 11 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 12 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 13 O -2.7429055 -0.4936595 0.2300487 -0.5331684 -2.6324317 0.4591595 0.0153397 0.2845658 -1.4689647 14 O -2.5910775 0.7228460 -0.6830525 0.6482729 -2.8486442 0.5859016 -0.5034454 0.4208689 -1.9658020 15 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 16 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 17 O -1.3166439 0.0000000 0.5108251 0.0000000 -0.9238658 0.0000000 0.8201700 -0.0000000 -3.9560453 18 O -2.6381582 0.0000000 0.2234716 0.0000000 -2.9107181 0.0000000 -0.1166369 -0.0000000 -2.4248696 19 O -2.5910775 -0.7228460 -0.6830525 -0.6482729 -2.8486442 -0.5859016 -0.5034454 -0.4208689 -1.9658020 20 O -2.7429055 0.4936595 0.2300487 0.5331684 -2.6324317 -0.4591595 0.0153397 -0.2845658 -1.4689647 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 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 2.837 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 14.733 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 16.350 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.890 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 20.852 ( 0.000 0.000 0.000) 0.000 23.215 ( 0.000 0.000 0.000) 0.000 23.441 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 10.910 -25.256 7.636) 28.552 0.583 ( 29.008 -19.473 6.686) 35.572 1.123 ( 14.733 -55.767 3.072) 57.762 2.854 ( -1.296 -1.436 0.337) 1.963 2.896 ( 3.947 -3.877 -0.770) 5.586 3.261 ( -2.211 1.968 -4.074) 5.036 3.302 ( -1.184 -1.244 0.777) 1.885 3.358 ( -0.208 -1.280 -1.618) 2.073 3.448 ( -0.241 4.903 -2.118) 5.347 3.744 ( 0.696 0.500 3.983) 4.074 3.829 ( -6.808 -3.989 0.335) 7.898 3.877 ( -3.430 8.533 -2.285) 9.476 4.021 ( -0.736 6.073 -1.087) 6.213 4.070 ( 4.434 8.153 5.587) 10.833 4.287 ( -2.461 -5.374 1.332) 6.059 4.423 ( -8.984 -4.119 -2.282) 10.143 4.632 ( -3.707 -2.513 -0.501) 4.507 4.782 ( 6.466 -4.605 1.303) 8.045 5.005 ( -0.215 -1.579 -0.991) 1.876 5.056 ( -0.014 -4.392 -2.626) 5.117 5.288 ( 2.329 4.117 -0.668) 4.777 5.526 ( 2.200 3.522 4.317) 5.991 5.583 ( 10.034 10.477 -0.198) 14.508 5.941 ( -7.078 -11.497 0.758) 13.522 6.268 ( 2.318 -2.040 -5.886) 6.647 6.314 ( -4.874 -2.813 4.797) 7.394 6.479 ( 5.852 -5.403 0.052) 7.965 6.567 ( 0.172 -1.319 -0.852) 1.580 6.702 ( 6.116 -5.580 3.175) 8.867 6.980 ( 0.463 -2.007 -3.514) 4.073 7.063 ( 6.748 -6.903 -3.687) 10.334 8.068 ( -4.963 2.049 0.758) 5.423 8.686 ( -1.049 10.313 2.092) 10.576 8.954 ( -9.078 -8.766 -0.958) 12.656 9.274 ( 3.944 -2.682 -1.362) 4.960 9.486 ( -6.326 -9.797 -16.044) 19.834 9.679 ( 1.171 -3.604 2.355) 4.462 9.750 ( 12.465 2.697 6.914) 14.507 10.126 ( -2.969 -1.888 -1.823) 3.963 10.621 ( 0.394 0.125 -1.464) 1.521 10.772 ( -5.111 -1.080 -1.166) 5.352 10.976 ( -3.874 -16.827 -5.575) 18.145 11.283 ( -0.198 -4.426 0.092) 4.432 11.929 ( -1.474 6.246 5.421) 8.401 12.074 ( 6.611 6.142 -8.208) 12.198 12.809 ( -4.452 -4.245 -10.854) 12.476 13.303 ( -2.693 -0.743 -2.632) 3.838 13.802 ( -1.002 10.921 13.337) 17.267 14.443 ( -8.484 -6.129 -1.744) 10.611 14.746 ( 7.778 11.619 3.192) 14.342 14.801 ( 0.525 -4.978 7.671) 9.159 15.124 ( 11.760 -1.034 2.355) 12.038 16.430 ( 0.895 -7.269 0.520) 7.342 16.819 ( -1.324 3.183 -9.052) 9.686 16.995 ( -2.510 -4.624 1.751) 5.545 19.653 ( -27.086 -1.122 40.277) 48.550 20.559 ( -4.804 4.024 -0.494) 6.286 20.907 ( 23.730 6.331 -32.030) 40.362 23.214 ( 0.751 0.484 -0.244) 0.926 23.428 ( -0.851 1.303 2.098) 2.612 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 10.178 -24.936 7.976) 28.089 1.161 ( 27.585 -19.674 5.977) 34.405 2.144 ( 11.130 -47.737 1.477) 49.040 2.864 ( -1.097 -0.710 1.592) 2.059 3.009 ( 6.440 -3.642 0.072) 7.399 3.191 ( -4.586 3.585 -0.338) 5.830 3.291 ( -4.854 -0.773 1.425) 5.118 3.367 ( 1.746 -0.836 0.812) 2.099 3.438 ( 2.849 -2.924 -9.078) 9.953 3.648 ( -5.853 9.741 -4.467) 12.211 3.709 ( 0.448 5.104 -0.356) 5.136 3.755 ( -6.900 6.362 4.007) 10.205 3.906 ( -1.005 6.750 -2.522) 7.276 3.993 ( 1.638 4.566 3.468) 5.964 4.344 ( -7.181 -4.626 -2.222) 8.827 4.487 ( 0.037 -9.199 -1.491) 9.320 4.655 ( 0.136 -0.405 3.436) 3.463 4.894 ( 6.933 0.421 1.397) 7.085 5.003 ( -3.142 -2.252 1.321) 4.085 5.146 ( -1.771 -5.298 -5.162) 7.606 5.255 ( 4.793 1.142 -0.664) 4.971 5.472 ( 5.658 7.119 -1.843) 9.278 5.543 ( 5.076 0.480 6.305) 8.108 6.059 ( -5.945 -8.011 1.999) 10.174 6.310 ( -5.683 -1.179 -2.292) 6.240 6.353 ( 7.069 0.017 -0.359) 7.078 6.486 ( -7.198 -4.802 -5.922) 10.485 6.761 ( 9.749 -9.859 0.159) 13.867 6.915 ( 3.856 -11.186 5.015) 12.851 7.003 ( 2.786 -2.477 -1.589) 4.052 7.287 ( 3.016 -13.161 -1.670) 13.605 7.988 ( -8.152 0.695 0.535) 8.199 8.509 ( -1.525 8.749 1.679) 9.038 9.022 ( 2.777 -2.264 -0.702) 3.651 9.324 ( 0.183 -0.805 0.473) 0.952 9.625 ( -5.735 -15.015 -11.240) 19.614 9.753 ( -2.709 -2.113 0.912) 3.554 9.866 ( 1.601 -9.736 7.967) 12.682 10.145 ( -4.531 -4.528 -0.938) 6.474 10.653 ( 0.650 -2.259 -4.274) 4.878 10.752 ( -7.228 -3.665 3.894) 8.991 11.238 ( -1.668 -14.791 -2.889) 15.163 11.410 ( 0.334 -10.272 -0.675) 10.300 11.780 ( -0.742 10.730 6.689) 12.665 11.993 ( 11.174 8.452 -5.470) 15.040 12.805 ( -1.429 0.810 -2.524) 3.011 13.295 ( -6.544 -3.614 -3.841) 8.405 13.616 ( 0.124 11.132 2.870) 11.497 14.450 ( 3.052 5.625 0.899) 6.462 14.495 ( -3.936 14.108 4.728) 15.391 15.027 ( -3.809 -16.303 1.402) 16.800 15.264 ( 2.690 -8.896 -1.515) 9.416 16.535 ( 9.651 1.204 -0.610) 9.744 16.749 ( 10.351 8.292 -3.733) 13.778 17.119 ( 0.467 -12.698 0.012) 12.707 19.496 ( -22.423 4.347 16.767) 28.334 20.424 ( -6.206 5.991 1.245) 8.716 20.894 ( 14.252 6.432 -14.048) 21.020 23.208 ( 1.078 0.915 -0.546) 1.516 23.396 ( -0.870 1.943 1.892) 2.848 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 9.301 -23.807 8.106) 26.815 1.722 ( 24.998 -19.345 4.990) 32.001 2.777 ( 0.856 -9.266 -4.901) 10.517 2.967 ( 1.251 -15.570 6.865) 17.062 3.035 ( -3.829 6.261 0.448) 7.353 3.107 ( 1.540 0.065 4.637) 4.887 3.340 ( 3.237 1.370 -5.843) 6.819 3.368 ( -0.889 0.283 0.064) 0.935 3.434 ( -4.305 0.211 2.054) 4.774 3.509 ( -2.542 1.228 -6.652) 7.226 3.551 ( -4.393 3.468 -3.646) 6.679 3.701 ( -0.255 -2.372 8.061) 8.407 3.795 ( 3.084 4.727 -7.652) 9.508 3.920 ( -0.847 2.346 -0.772) 2.611 4.357 ( -3.998 -3.873 -8.307) 9.999 4.639 ( 3.389 2.133 6.562) 7.687 4.661 ( -4.764 -4.935 5.661) 8.894 4.858 ( 4.441 3.920 0.816) 5.979 5.092 ( 2.093 -5.923 0.413) 6.296 5.161 ( -2.268 0.163 -3.429) 4.114 5.327 ( 3.745 -4.556 -1.544) 6.096 5.401 ( 4.697 3.901 -5.475) 8.201 5.638 ( 4.212 -4.645 6.698) 9.175 6.129 ( -7.493 -0.509 5.121) 9.090 6.207 ( -2.734 2.092 -1.492) 3.752 6.377 ( 5.274 2.613 -1.016) 5.973 6.574 ( -2.005 -9.088 -10.795) 14.253 6.962 ( -0.667 -0.137 0.603) 0.909 6.995 ( 11.450 -5.859 0.725) 12.882 7.280 ( 3.850 -17.269 5.856) 18.637 7.511 ( -0.203 -10.769 -1.949) 10.946 7.935 ( -8.686 -2.691 -0.292) 9.097 8.377 ( -3.237 4.650 0.959) 5.747 9.082 ( 7.652 -0.313 -1.399) 7.785 9.323 ( -0.116 0.777 1.877) 2.035 9.701 ( -10.116 1.163 1.821) 10.344 9.827 ( -1.352 -11.896 -5.771) 13.291 10.111 ( 0.347 -11.533 1.199) 11.600 10.241 ( -4.464 -13.281 5.445) 15.032 10.630 ( -7.373 -1.556 -9.155) 11.858 10.854 ( -1.080 -7.720 9.880) 12.585 11.415 ( -1.112 -7.537 -8.556) 11.456 11.546 ( 4.860 2.546 1.202) 5.617 11.619 ( -0.185 5.084 1.227) 5.233 12.011 ( 10.649 -3.987 1.612) 11.484 12.740 ( -0.370 5.233 -0.314) 5.255 13.294 ( -11.540 -3.313 1.094) 12.055 13.468 ( 2.091 4.980 -5.122) 7.444 14.160 ( -2.928 18.315 3.757) 18.924 14.359 ( 2.308 10.703 2.166) 11.161 15.291 ( -8.472 -19.071 2.184) 20.982 15.446 ( -3.885 -11.874 -4.294) 13.211 16.585 ( 15.609 6.346 -0.123) 16.851 16.643 ( 21.546 13.550 -1.828) 25.518 17.434 ( -1.102 -21.745 -0.433) 21.778 19.228 ( -22.295 9.104 7.460) 25.211 20.279 ( -5.107 5.577 2.438) 7.945 20.843 ( 8.999 6.928 -7.891) 13.830 23.196 ( 0.864 1.114 -0.755) 1.599 23.361 ( -0.640 1.723 1.686) 2.494 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 8.165 -21.276 7.540) 24.004 2.238 ( 21.039 -17.583 3.875) 27.691 2.771 ( -3.383 6.345 0.921) 7.249 2.887 ( -2.397 3.559 -2.581) 5.007 3.017 ( -8.117 5.778 -1.087) 10.022 3.128 ( -0.195 5.825 2.231) 6.241 3.240 ( 2.731 2.921 -0.097) 4.000 3.273 ( -6.935 1.624 -2.621) 7.589 3.419 ( -1.843 1.154 -1.312) 2.539 3.492 ( -1.232 0.169 -1.510) 1.956 3.557 ( 1.234 -1.118 -0.820) 1.856 3.700 ( -0.830 2.190 1.460) 2.759 3.898 ( 1.170 -6.845 -6.408) 9.449 4.051 ( 5.684 -17.008 3.671) 18.305 4.385 ( 0.161 -3.550 -10.151) 10.755 4.589 ( -3.775 5.459 13.450) 14.999 4.620 ( 0.399 3.313 0.979) 3.478 4.873 ( 2.356 5.693 0.160) 6.163 5.127 ( 2.207 -2.538 -2.171) 4.003 5.218 ( -3.057 -6.605 -1.695) 7.473 5.378 ( 5.469 1.742 -2.455) 6.243 5.444 ( 2.856 -4.589 -2.989) 6.177 5.774 ( 3.303 -4.859 5.790) 8.248 5.962 ( -9.977 6.127 2.577) 11.989 6.248 ( 0.156 -2.640 0.187) 2.651 6.343 ( 5.172 5.100 -2.651) 7.732 6.681 ( -2.556 -7.223 -6.180) 9.843 6.929 ( -0.286 2.453 -0.040) 2.470 7.191 ( 13.117 -3.861 3.196) 14.042 7.524 ( -3.947 -6.091 1.450) 7.401 7.648 ( -0.682 -7.579 -0.430) 7.622 7.970 ( -3.502 -7.038 0.425) 7.873 8.293 ( -4.042 2.001 -0.697) 4.564 9.144 ( 6.873 -0.598 -1.624) 7.087 9.308 ( 2.212 2.528 1.412) 3.644 9.594 ( -11.055 0.748 2.376) 11.332 9.975 ( 0.858 -5.924 -1.736) 6.232 10.209 ( -1.669 -2.935 1.273) 3.609 10.540 ( 2.233 -10.376 7.254) 12.856 10.612 ( -11.038 -12.661 -11.148) 20.160 10.980 ( -0.251 -3.795 10.229) 10.913 11.373 ( 0.190 8.597 -10.658) 13.694 11.460 ( 6.319 6.100 1.720) 8.949 11.663 ( 1.579 -4.718 0.068) 4.975 12.249 ( 5.779 -11.568 1.553) 13.024 12.636 ( -0.088 5.504 -0.233) 5.509 13.232 ( -9.024 -0.728 3.855) 9.840 13.428 ( -1.161 2.986 -5.459) 6.330 13.893 ( -1.193 7.245 -0.766) 7.382 14.156 ( 1.941 14.370 3.946) 15.028 15.513 ( -9.833 -10.813 -2.361) 14.805 15.603 ( -4.273 -13.457 1.283) 14.177 16.418 ( 12.783 17.498 -1.695) 21.736 16.774 ( 20.252 -1.199 0.139) 20.288 17.794 ( 1.282 -18.101 0.073) 18.147 18.891 ( -18.266 11.124 2.655) 21.551 20.175 ( -2.627 3.168 1.862) 4.517 20.773 ( 4.287 5.041 -3.880) 7.671 23.182 ( 0.403 0.802 -0.570) 1.063 23.337 ( -0.281 0.945 1.029) 1.425 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.000 0.000 -0.000) 0.000 2.558 ( 0.000 -0.000 0.000) 0.000 2.601 ( -0.000 0.000 -0.000) 0.000 2.799 ( 0.000 -0.000 -0.000) 0.000 2.864 ( 0.000 -0.000 -0.000) 0.000 3.057 ( 0.000 -0.000 0.000) 0.000 3.198 ( -0.000 -0.000 0.000) 0.000 3.271 ( 0.000 -0.000 0.000) 0.000 3.407 ( 0.000 -0.000 0.000) 0.000 3.455 ( 0.000 -0.000 0.000) 0.000 3.575 ( 0.000 -0.000 -0.000) 0.000 3.697 ( -0.000 -0.000 0.000) 0.000 3.951 ( 0.000 -0.000 -0.000) 0.000 4.275 ( 0.000 -0.000 0.000) 0.000 4.420 ( -0.000 -0.000 0.000) 0.000 4.515 ( 0.000 -0.000 -0.000) 0.000 4.682 ( -0.000 0.000 0.000) 0.000 4.696 ( 0.000 -0.000 -0.000) 0.000 5.219 ( 0.000 -0.000 0.000) 0.000 5.228 ( -0.000 0.000 -0.000) 0.000 5.397 ( 0.000 -0.000 0.000) 0.000 5.495 ( -0.000 -0.000 0.000) 0.000 5.816 ( 0.000 -0.000 0.000) 0.000 5.887 ( 0.000 -0.000 -0.000) 0.000 6.272 ( 0.000 0.000 -0.000) 0.000 6.304 ( -0.000 -0.000 0.000) 0.000 6.736 ( 0.000 -0.000 -0.000) 0.000 6.897 ( -0.000 -0.000 0.000) 0.000 7.303 ( -0.000 -0.000 0.000) 0.000 7.520 ( 0.000 -0.000 0.000) 0.000 7.722 ( -0.000 -0.000 -0.000) 0.000 8.050 ( 0.000 -0.000 0.000) 0.000 8.248 ( 0.000 -0.000 0.000) 0.000 9.186 ( 0.000 -0.000 -0.000) 0.000 9.284 ( -0.000 -0.000 0.000) 0.000 9.545 ( 0.000 -0.000 -0.000) 0.000 10.029 ( 0.000 -0.000 0.000) 0.000 10.226 ( 0.000 -0.000 0.000) 0.000 10.577 ( 0.000 -0.000 -0.000) 0.000 10.781 ( 0.000 -0.000 0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 -0.000 0.000) 0.000 11.450 ( 0.000 -0.000 -0.000) 0.000 11.718 ( 0.000 -0.000 0.000) 0.000 12.396 ( 0.000 -0.000 0.000) 0.000 12.581 ( 0.000 -0.000 0.000) 0.000 13.245 ( 0.000 -0.000 0.000) 0.000 13.313 ( 0.000 0.000 -0.000) 0.000 13.910 ( 0.000 -0.000 -0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 -0.000 -0.000) 0.000 15.748 ( 0.000 -0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 -0.000 0.000) 0.000 17.993 ( 0.000 -0.000 0.000) 0.000 18.681 ( 0.000 -0.000 0.000) 0.000 20.140 ( 0.000 -0.000 0.000) 0.000 20.738 ( 0.000 -0.000 0.000) 0.000 23.175 ( 0.000 -0.000 0.000) 0.000 23.329 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 24.904 0.000 6.224) 25.670 0.476 ( 24.850 0.000 18.191) 30.797 0.988 ( 57.676 0.000 11.624) 58.836 2.831 ( 0.095 0.000 -3.390) 3.391 2.895 ( 5.191 0.000 1.164) 5.320 3.256 ( -3.480 -0.000 -8.831) 9.492 3.274 ( -2.177 -0.000 1.334) 2.553 3.330 ( -0.283 -0.000 -5.714) 5.721 3.534 ( 1.794 0.000 -0.419) 1.842 3.721 ( 0.793 0.000 11.406) 11.434 3.742 ( -9.428 -0.000 5.440) 10.885 3.922 ( -5.385 -0.000 -6.562) 8.488 4.050 ( -3.442 -0.000 2.814) 4.446 4.187 ( -2.323 -0.000 7.276) 7.638 4.238 ( 2.983 0.000 -0.239) 2.993 4.262 ( -0.417 -0.000 -1.638) 1.690 4.528 ( -6.538 -0.000 -2.686) 7.068 4.815 ( 8.988 0.000 1.995) 9.207 4.963 ( -0.430 -0.000 -1.200) 1.275 5.050 ( 3.359 0.000 -6.111) 6.973 5.357 ( 4.960 0.000 -3.765) 6.227 5.605 ( 4.133 0.000 8.458) 9.414 5.741 ( -3.295 -0.000 0.323) 3.311 5.822 ( 0.737 0.000 -4.433) 4.494 6.132 ( -13.497 -0.000 0.221) 13.499 6.371 ( -4.981 -0.000 4.916) 6.999 6.495 ( 10.325 0.000 -0.678) 10.348 6.521 ( -7.944 -0.000 0.513) 7.960 6.709 ( 8.086 0.000 4.991) 9.503 6.937 ( 1.830 0.000 -1.473) 2.349 7.149 ( 8.440 0.000 -21.960) 23.526 8.062 ( -6.112 -0.000 2.921) 6.774 8.580 ( -3.049 -0.000 -2.630) 4.027 8.748 ( -9.511 -0.000 3.306) 10.070 9.318 ( 5.281 0.000 -1.969) 5.636 9.379 ( 4.617 0.000 -11.521) 12.412 9.651 ( 0.749 0.000 0.887) 1.161 10.032 ( -6.485 -0.000 -14.543) 15.923 10.303 ( -0.438 -0.000 0.438) 0.619 10.368 ( 7.643 0.000 -24.787) 25.939 10.667 ( 2.917 0.000 -1.076) 3.109 10.705 ( -8.271 -0.000 -3.795) 9.100 11.245 ( -0.284 -0.000 0.353) 0.454 11.986 ( 0.650 0.000 5.014) 5.056 12.149 ( 10.090 0.000 -19.925) 22.334 12.634 ( 2.933 0.000 -7.727) 8.265 13.309 ( -0.491 -0.000 0.147) 0.513 13.963 ( -8.658 -0.000 26.318) 27.705 14.282 ( 2.384 0.000 -0.042) 2.385 14.666 ( -1.145 -0.000 0.080) 1.148 15.083 ( 2.666 0.000 8.943) 9.332 15.494 ( -11.915 -0.000 6.355) 13.504 16.344 ( -0.645 -0.000 -0.151) 0.663 16.390 ( -0.322 -0.000 0.186) 0.372 17.019 ( 13.790 0.000 4.428) 14.483 19.545 ( -25.682 -0.000 84.125) 87.958 20.551 ( -5.511 -0.000 -7.246) 9.103 21.129 ( 23.100 0.000 -62.359) 66.500 23.226 ( 1.445 0.000 -0.234) 1.464 23.437 ( -1.984 -0.000 5.058) 5.433 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 20.053 -15.511 14.542) 29.227 1.002 ( 19.103 -27.960 5.048) 34.237 1.652 ( 43.136 -24.592 8.023) 50.298 2.849 ( 0.080 -1.623 -1.522) 2.226 2.975 ( 6.315 -4.416 -0.066) 7.706 3.188 ( -2.704 1.468 -7.849) 8.430 3.256 ( -4.780 0.727 3.295) 5.851 3.328 ( -1.268 -1.589 -5.347) 5.721 3.476 ( 5.168 3.866 -5.249) 8.319 3.680 ( -9.153 0.463 -2.390) 9.471 3.771 ( -3.465 4.496 1.863) 5.974 3.815 ( -2.102 2.621 7.140) 7.890 3.982 ( -3.446 4.587 0.483) 5.758 4.154 ( 2.305 8.233 4.576) 9.697 4.212 ( -6.510 -2.925 0.351) 7.146 4.318 ( -3.239 -7.155 -2.955) 8.391 4.581 ( -1.801 -7.601 -0.368) 7.820 4.905 ( 6.541 -2.055 1.096) 6.943 4.992 ( 0.044 -2.170 -1.115) 2.441 5.054 ( 2.238 -0.581 -4.909) 5.426 5.349 ( 6.238 3.815 -2.935) 7.879 5.620 ( 5.115 4.006 8.336) 10.569 5.698 ( 4.293 8.737 -1.478) 9.846 5.845 ( -4.902 -9.935 -0.298) 11.083 6.102 ( -10.654 -8.892 -4.424) 14.566 6.352 ( -1.215 -2.427 0.390) 2.742 6.419 ( -9.796 1.919 1.248) 10.060 6.664 ( 8.468 -8.102 -0.167) 11.721 6.848 ( 7.912 -5.374 5.941) 11.260 6.991 ( 4.227 -2.886 -4.960) 7.127 7.165 ( 8.292 -2.937 -7.108) 11.310 7.969 ( -7.433 3.696 3.726) 9.100 8.607 ( -10.492 5.045 0.375) 11.648 8.809 ( -6.366 -19.438 -0.346) 20.457 9.331 ( 3.257 1.220 -2.581) 4.331 9.421 ( 2.428 -3.166 -6.957) 8.020 9.691 ( -1.564 -2.676 0.534) 3.145 9.852 ( -0.229 5.664 -5.879) 8.166 10.067 ( -2.203 1.964 2.195) 3.678 10.612 ( -2.479 -1.783 -6.771) 7.428 10.634 ( -8.352 -4.361 1.936) 9.619 10.895 ( -2.166 -20.108 -5.050) 20.846 11.284 ( 0.277 -4.651 0.053) 4.660 11.946 ( -0.459 6.132 8.093) 10.164 12.172 ( 11.522 3.296 -13.976) 18.410 12.708 ( -2.239 -5.809 -4.883) 7.912 13.267 ( -1.442 3.203 -0.149) 3.516 13.830 ( -1.782 11.405 8.501) 14.336 14.389 ( 0.215 -6.906 0.072) 6.910 14.750 ( -2.021 -8.025 -1.647) 8.438 14.882 ( -0.101 20.565 13.685) 24.703 15.272 ( 4.715 4.737 -3.331) 7.468 16.458 ( 1.656 -11.465 1.483) 11.679 16.674 ( -6.040 -16.422 -10.181) 20.244 17.139 ( 15.255 1.721 4.977) 16.138 19.464 ( -18.299 6.107 36.167) 40.990 20.454 ( -6.793 3.266 -3.737) 8.413 21.093 ( 15.340 6.916 -23.666) 29.039 23.233 ( 1.759 0.700 -0.618) 1.992 23.421 ( -1.571 1.223 3.561) 4.080 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 15.806 -19.325 11.902) 27.657 1.598 ( 21.779 -21.181 5.488) 30.872 2.422 ( 21.686 -29.030 0.675) 36.242 2.873 ( 0.352 -1.600 2.020) 2.600 3.102 ( 5.079 0.465 -1.390) 5.286 3.154 ( -1.331 2.175 4.241) 4.949 3.197 ( -6.035 -5.913 0.896) 8.497 3.352 ( -2.697 -4.482 -5.131) 7.327 3.459 ( 2.173 3.158 -8.379) 9.214 3.543 ( -2.883 7.856 -5.144) 9.823 3.613 ( -4.203 5.774 -1.345) 7.267 3.773 ( 0.618 4.309 8.727) 9.752 3.876 ( 0.060 5.120 -2.432) 5.669 4.024 ( 0.657 8.320 0.550) 8.364 4.219 ( -6.349 -4.631 -3.199) 8.485 4.463 ( -3.228 -11.654 0.699) 12.113 4.684 ( 1.406 -3.155 3.462) 4.890 4.939 ( -4.840 1.166 -0.287) 4.986 5.013 ( 5.591 -0.936 -0.397) 5.682 5.116 ( 0.806 -4.171 0.013) 4.248 5.347 ( 8.234 1.517 -3.936) 9.252 5.552 ( 4.562 8.736 -2.152) 10.087 5.648 ( 4.309 0.356 5.612) 7.085 5.988 ( -4.256 -9.584 0.624) 10.506 6.173 ( -10.032 -2.720 -0.205) 10.396 6.332 ( -7.956 -6.422 -5.833) 11.771 6.441 ( 3.595 -4.722 -2.291) 6.362 6.895 ( 5.197 -11.355 1.233) 12.549 6.951 ( 1.365 -1.382 0.621) 2.040 7.143 ( 13.326 -7.875 2.577) 15.692 7.329 ( 3.439 -9.749 -3.542) 10.928 7.858 ( -8.204 2.277 2.109) 8.772 8.435 ( -8.043 5.619 0.746) 9.840 9.070 ( 2.203 -10.587 0.763) 10.841 9.328 ( 0.121 -0.333 -2.270) 2.298 9.525 ( -1.014 -11.539 -4.709) 12.504 9.634 ( -12.448 0.600 1.171) 12.518 9.929 ( 3.707 -9.212 -0.799) 9.962 10.072 ( -4.782 -4.572 2.466) 7.061 10.539 ( -9.214 -0.739 -5.507) 10.760 10.738 ( 0.224 -6.986 6.342) 9.438 11.178 ( -3.266 -15.619 -5.798) 16.978 11.411 ( 0.587 -9.258 -1.203) 9.355 11.828 ( 2.300 9.591 6.570) 11.851 12.157 ( 12.135 5.663 -5.729) 14.565 12.748 ( -3.724 -2.187 -2.188) 4.841 13.193 ( -4.534 2.023 -1.585) 5.212 13.632 ( 0.560 11.236 1.611) 11.364 14.428 ( -4.524 7.690 2.676) 9.315 14.541 ( 4.454 13.026 4.337) 14.434 14.952 ( -6.227 -13.653 1.569) 15.088 15.276 ( 0.893 -3.489 -4.320) 5.624 16.720 ( 12.049 -8.431 0.814) 14.728 16.830 ( 2.106 -8.319 -8.349) 11.973 17.227 ( 13.214 0.167 3.028) 13.557 19.229 ( -19.686 10.071 16.269) 27.452 20.331 ( -5.822 4.313 0.145) 7.247 21.025 ( 9.164 7.871 -10.837) 16.229 23.226 ( 1.460 1.347 -0.917) 2.188 23.390 ( -1.136 1.768 2.849) 3.540 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 12.687 -19.875 9.966) 25.599 2.114 ( 19.913 -17.927 5.091) 27.273 2.789 ( 2.938 -3.267 -5.897) 7.354 2.964 ( -3.098 1.437 4.377) 5.552 3.001 ( -2.795 1.360 0.940) 3.247 3.165 ( 1.416 -2.163 3.108) 4.043 3.276 ( -5.499 7.578 -6.464) 11.378 3.336 ( -5.943 -2.616 1.878) 6.759 3.368 ( 0.356 3.216 1.033) 3.397 3.431 ( -2.116 -3.606 -7.347) 8.454 3.578 ( 5.707 -0.124 -0.102) 5.709 3.774 ( 3.185 -0.465 3.282) 4.597 3.807 ( 3.330 6.532 -3.316) 8.047 3.938 ( 5.967 -3.668 -1.707) 7.209 4.270 ( -2.331 -6.087 -6.805) 9.423 4.589 ( -8.010 -4.117 8.207) 12.185 4.716 ( 2.584 4.029 4.504) 6.572 4.898 ( 0.525 -3.764 -2.018) 4.303 5.059 ( -4.440 -1.238 -2.136) 5.080 5.167 ( 2.427 -0.374 1.827) 3.061 5.403 ( 6.408 -1.918 -3.415) 7.511 5.468 ( 6.770 4.018 -5.153) 9.410 5.727 ( 3.255 -4.035 5.365) 7.461 5.973 ( -13.812 4.180 2.258) 14.606 6.173 ( -1.314 -6.235 -1.512) 6.549 6.408 ( -1.837 -3.971 2.116) 4.860 6.545 ( 4.733 -4.052 -10.127) 11.890 6.953 ( 1.032 0.163 -0.606) 1.208 7.167 ( 6.394 -12.157 2.257) 13.920 7.388 ( 5.313 -6.027 3.351) 8.705 7.505 ( 2.956 -9.630 -0.480) 10.085 7.803 ( -7.204 -4.727 -1.314) 8.716 8.306 ( -5.492 3.169 2.016) 6.653 9.179 ( 3.364 -0.300 -2.055) 3.954 9.361 ( 5.016 -0.758 -0.020) 5.073 9.500 ( -14.939 0.005 2.000) 15.073 9.796 ( 0.071 -16.561 -0.644) 16.573 10.110 ( -1.011 -6.935 -1.965) 7.278 10.181 ( -5.210 -14.617 0.681) 15.532 10.496 ( -5.972 -3.012 -0.849) 6.742 10.889 ( 0.055 -7.571 8.919) 11.700 11.337 ( -2.416 -6.767 -11.847) 13.856 11.568 ( 0.864 -7.664 -2.055) 7.981 11.693 ( 4.099 10.553 5.884) 12.759 12.197 ( 12.066 -1.595 0.095) 12.171 12.709 ( -3.201 2.995 -0.161) 4.386 13.126 ( -9.309 -0.938 -1.272) 9.442 13.481 ( 1.442 6.410 -1.773) 6.806 14.124 ( -3.216 17.475 2.654) 17.966 14.416 ( 3.009 11.484 3.426) 12.356 15.152 ( -8.961 -16.076 0.393) 18.409 15.380 ( -2.714 -9.528 -3.619) 10.548 16.778 ( 9.551 10.080 -3.019) 14.211 17.006 ( 23.057 1.115 -2.567) 23.226 17.460 ( 4.989 -18.442 2.560) 19.276 18.903 ( -22.200 10.421 7.207) 25.562 20.226 ( -2.887 3.789 1.854) 5.112 20.914 ( 4.091 8.412 -6.196) 11.220 23.207 ( 0.856 1.550 -0.785) 1.937 23.359 ( -0.636 1.574 1.935) 2.574 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 9.404 -17.511 7.349) 21.191 2.528 ( 9.833 -11.081 4.285) 15.422 2.743 ( 1.752 9.608 -2.345) 10.045 2.831 ( -4.740 4.790 -2.894) 7.334 2.879 ( -6.248 6.347 0.191) 8.908 3.126 ( -0.524 5.478 -0.514) 5.527 3.148 ( -6.262 -1.509 0.482) 6.459 3.301 ( 3.486 1.805 -1.259) 4.123 3.404 ( 2.322 0.456 -1.234) 2.669 3.478 ( 0.533 -2.877 -2.308) 3.727 3.608 ( 3.783 1.216 1.552) 4.266 3.666 ( -3.300 3.130 -1.602) 4.822 3.883 ( 0.402 -6.943 -5.422) 8.818 4.203 ( 10.098 -10.279 6.531) 15.820 4.351 ( 0.754 -5.554 -6.919) 8.905 4.540 ( -5.697 2.424 7.441) 9.680 4.652 ( -0.101 2.492 3.068) 3.954 4.876 ( -1.941 11.545 -0.351) 11.713 5.092 ( -3.124 -9.687 -4.449) 11.108 5.202 ( 0.594 -2.337 0.408) 2.445 5.453 ( 1.666 2.094 -3.952) 4.773 5.484 ( 5.024 -1.005 0.335) 5.135 5.807 ( -8.686 2.275 0.490) 8.992 5.847 ( 2.330 -5.288 3.508) 6.760 6.236 ( -1.273 -1.937 -0.764) 2.441 6.408 ( 3.609 5.638 0.839) 6.747 6.634 ( -0.952 -7.525 -3.311) 8.276 6.950 ( 3.492 2.346 -0.961) 4.315 7.325 ( -1.859 3.565 -1.138) 4.179 7.455 ( 0.223 -8.886 0.125) 8.890 7.684 ( 3.710 -4.813 2.636) 6.624 7.935 ( -0.997 -11.358 -1.241) 11.469 8.254 ( -0.544 0.356 3.292) 3.355 9.177 ( -1.076 -0.034 -3.541) 3.701 9.292 ( -9.073 3.938 1.118) 9.954 9.530 ( 6.156 -3.853 0.360) 7.271 10.009 ( 3.786 -5.110 0.631) 6.391 10.181 ( -2.768 -4.195 0.078) 5.026 10.408 ( -8.679 -15.651 -6.760) 19.131 10.593 ( -0.603 -10.871 6.832) 12.854 11.019 ( -0.386 -4.792 9.887) 10.994 11.314 ( -0.440 4.370 -12.050) 12.825 11.548 ( 3.356 9.737 1.902) 10.474 11.684 ( 1.558 -4.533 -1.459) 5.010 12.370 ( 8.222 -5.328 1.777) 9.957 12.616 ( -2.116 4.126 -0.372) 4.652 13.094 ( -9.250 -5.827 1.298) 11.009 13.410 ( 0.566 4.075 -2.371) 4.748 13.876 ( -0.197 7.002 -1.512) 7.166 14.206 ( 1.753 14.808 4.446) 15.560 15.359 ( -8.205 -15.028 -1.830) 17.220 15.535 ( -4.840 -12.352 0.204) 13.268 16.577 ( 8.079 18.806 -2.668) 20.641 17.074 ( 17.517 10.915 -1.179) 20.673 17.853 ( 4.928 -17.336 2.961) 18.264 18.625 ( -15.761 1.816 1.857) 15.974 20.169 ( 0.620 2.162 1.618) 2.771 20.786 ( -0.424 6.111 -3.236) 6.928 23.186 ( 0.380 1.078 -0.246) 1.169 23.337 ( -0.300 0.913 0.774) 1.234 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -10.485 15.193 -4.186) 18.929 2.437 ( -8.935 20.458 -2.202) 22.432 2.652 ( 7.218 -11.264 3.148) 13.743 2.860 ( -0.710 -2.257 0.629) 2.448 2.951 ( 8.899 -9.162 2.187) 12.958 3.084 ( 3.861 -0.260 -0.153) 3.873 3.161 ( -2.533 -3.380 -2.245) 4.784 3.299 ( 1.987 0.304 0.010) 2.011 3.424 ( 0.677 -1.440 2.024) 2.575 3.461 ( 1.288 1.670 -2.907) 3.591 3.605 ( 2.679 1.866 4.058) 5.208 3.678 ( -1.587 -2.858 -2.771) 4.285 3.945 ( -0.637 -0.672 0.925) 1.309 4.287 ( 1.701 7.341 -2.049) 7.810 4.426 ( 0.556 -1.737 2.164) 2.830 4.516 ( -0.469 -0.253 1.366) 1.466 4.627 ( -3.733 7.657 -0.361) 8.526 4.731 ( 2.132 -7.544 -0.681) 7.868 5.118 ( -6.298 -0.326 0.272) 6.313 5.301 ( 1.278 -5.066 -1.146) 5.349 5.355 ( -3.534 6.101 -0.319) 7.058 5.504 ( 1.165 2.506 2.410) 3.667 5.772 ( -2.171 -1.092 -3.231) 4.043 5.953 ( 5.648 -2.992 -0.476) 6.410 6.241 ( -3.718 -1.763 3.798) 5.599 6.312 ( 0.846 5.667 -2.525) 6.261 6.761 ( 1.311 -5.060 4.938) 7.191 6.918 ( 3.024 3.266 -2.639) 5.174 7.164 ( -10.844 5.644 -2.890) 12.562 7.593 ( 4.278 -2.101 -1.494) 4.995 7.740 ( 1.215 1.155 2.540) 3.043 8.043 ( 1.273 -1.175 -1.997) 2.644 8.303 ( 4.061 -1.711 4.045) 5.982 9.115 ( -7.867 2.461 1.080) 8.314 9.233 ( -2.729 -3.296 -3.199) 5.342 9.639 ( 8.345 -1.920 -1.469) 8.689 10.051 ( 2.214 2.329 0.871) 3.330 10.224 ( 0.417 -2.103 -2.272) 3.124 10.534 ( -2.843 -4.567 0.000) 5.379 10.808 ( -0.700 -10.571 2.604) 10.909 11.044 ( 0.780 9.391 5.131) 10.730 11.220 ( 0.636 -3.168 -2.937) 4.367 11.428 ( -2.193 5.015 -1.238) 5.612 11.717 ( 0.237 1.629 -1.083) 1.970 12.403 ( 0.560 6.676 1.443) 6.853 12.567 ( -1.536 -0.733 -0.965) 1.957 13.255 ( 0.865 -14.094 1.180) 14.170 13.321 ( 1.147 3.028 -1.151) 3.436 13.905 ( 0.684 -8.049 -4.013) 9.019 13.988 ( 0.580 10.552 4.289) 11.405 15.528 ( -2.081 -9.772 -0.705) 10.016 15.720 ( -3.384 -10.350 0.872) 10.924 16.292 ( 1.516 15.247 -1.571) 15.402 16.860 ( -2.383 19.299 -0.303) 19.448 17.993 ( -0.395 4.281 1.946) 4.719 18.735 ( 5.841 -17.190 -0.535) 18.163 20.170 ( 3.737 -0.200 -0.037) 3.743 20.701 ( -4.450 0.678 0.049) 4.501 23.177 ( 0.047 0.234 0.325) 0.403 23.328 ( -0.072 -0.024 -0.252) 0.263 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -14.569 21.209 -4.717) 26.159 1.973 ( -6.366 24.702 -2.762) 25.658 2.819 ( 3.202 -1.639 -2.265) 4.251 2.939 ( 2.428 -7.407 2.096) 8.072 3.096 ( -1.629 -0.057 -0.238) 1.647 3.138 ( 7.023 0.173 -3.167) 7.706 3.230 ( 0.437 -6.624 1.396) 6.783 3.334 ( -2.146 -2.453 2.354) 4.020 3.427 ( -0.347 -2.921 2.077) 3.601 3.531 ( 2.495 -2.785 2.413) 4.450 3.607 ( 5.166 1.995 0.187) 5.541 3.674 ( -3.183 -0.770 -1.995) 3.835 3.921 ( 1.900 6.355 3.164) 7.349 3.987 ( -1.631 18.201 -1.481) 18.334 4.433 ( -0.594 0.802 12.576) 12.615 4.532 ( -0.375 -4.054 -12.868) 13.497 4.645 ( 2.674 -5.755 -3.564) 7.278 4.816 ( -4.386 -0.391 1.065) 4.531 5.097 ( -1.798 -1.424 1.773) 2.899 5.212 ( -4.349 4.697 0.619) 6.431 5.362 ( 0.993 -0.268 2.163) 2.395 5.431 ( 0.234 6.358 1.805) 6.613 5.698 ( -2.840 5.951 -4.539) 8.005 6.086 ( 7.648 -6.930 -4.413) 11.224 6.233 ( -0.841 2.934 -2.199) 3.762 6.273 ( -6.104 -4.195 6.688) 9.979 6.766 ( 3.910 7.812 6.574) 10.933 6.939 ( 0.109 -4.002 -1.379) 4.234 6.983 ( -9.353 4.821 -2.668) 10.855 7.525 ( -0.856 11.464 -3.447) 12.001 7.686 ( 1.780 7.059 1.848) 7.510 8.045 ( 5.427 2.476 -0.187) 5.968 8.348 ( 1.830 -0.650 0.694) 2.062 9.033 ( -6.508 0.571 1.957) 6.820 9.285 ( 0.180 -3.539 -2.782) 4.506 9.726 ( 5.693 -2.259 -1.707) 6.358 9.987 ( 0.662 6.338 2.678) 6.913 10.231 ( 2.131 2.625 -2.528) 4.221 10.487 ( -0.888 9.066 -2.788) 9.526 10.833 ( 8.899 12.625 11.458) 19.232 10.936 ( 0.842 0.552 -8.814) 8.871 11.304 ( -9.038 -8.233 -3.295) 12.662 11.436 ( 0.050 -8.287 7.926) 11.467 11.633 ( -1.385 5.989 -1.939) 6.446 12.181 ( -2.304 16.459 -0.921) 16.645 12.624 ( -1.336 -6.487 0.057) 6.623 13.315 ( 3.787 -3.065 -4.272) 6.480 13.508 ( 4.662 -2.742 6.337) 8.332 13.913 ( 1.011 -7.128 -0.113) 7.201 14.113 ( -1.582 -13.693 -2.720) 14.050 15.633 ( 2.320 3.854 1.106) 4.632 15.708 ( 11.268 12.754 -0.328) 17.021 16.215 ( -12.876 -12.496 0.249) 17.945 16.473 ( -15.919 11.786 -0.582) 19.816 17.800 ( 1.045 17.065 0.980) 17.125 19.134 ( 12.574 -17.546 -1.828) 21.663 20.237 ( 6.045 -3.266 -2.088) 7.181 20.690 ( -7.809 -4.098 3.559) 9.510 23.179 ( -0.262 -0.450 0.534) 0.746 23.336 ( 0.170 -1.082 -0.777) 1.342 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.685 24.151 -3.192) 27.466 1.477 ( -3.718 26.946 -2.518) 27.317 2.814 ( 2.357 17.105 4.928) 17.957 2.893 ( -3.441 12.426 -5.725) 14.107 3.064 ( -0.500 9.438 -2.994) 9.914 3.112 ( 4.149 -8.585 -1.522) 9.656 3.278 ( -4.935 -0.614 4.474) 6.689 3.390 ( 0.913 -3.808 0.621) 3.965 3.487 ( 2.536 2.916 -1.356) 4.095 3.560 ( 2.116 -7.249 0.438) 7.564 3.609 ( -1.031 -1.764 4.553) 4.991 3.711 ( 3.116 2.333 -3.913) 5.519 3.774 ( -2.530 -7.895 3.598) 9.038 3.957 ( 2.689 -1.277 -0.442) 3.009 4.460 ( 3.809 1.045 8.828) 9.671 4.554 ( -3.187 -1.025 -8.401) 9.043 4.691 ( 1.682 5.837 -2.662) 6.632 4.782 ( -3.721 -5.387 0.657) 6.581 5.082 ( 1.037 3.091 -1.208) 3.477 5.163 ( -2.813 -1.306 2.353) 3.893 5.316 ( 0.793 7.058 0.039) 7.102 5.377 ( -1.313 -1.350 3.881) 4.314 5.553 ( -2.400 6.006 -4.260) 7.744 6.185 ( 3.862 2.764 -3.454) 5.872 6.239 ( -1.600 -5.097 -1.008) 5.437 6.308 ( -2.403 -3.903 3.902) 6.020 6.659 ( 2.772 7.850 4.590) 9.506 6.828 ( -5.935 5.799 -0.738) 8.330 6.992 ( 0.739 -1.060 0.391) 1.351 7.212 ( -1.695 20.499 -3.207) 20.818 7.517 ( -0.111 13.118 0.680) 13.136 8.052 ( 4.713 1.513 0.560) 4.981 8.389 ( -0.300 -4.195 -1.252) 4.388 8.999 ( -3.122 -0.527 1.263) 3.409 9.328 ( 0.994 -1.140 -1.378) 2.046 9.785 ( 1.890 -0.591 -0.775) 2.126 9.868 ( 0.501 8.360 4.281) 9.406 10.105 ( 0.964 14.465 -3.432) 14.898 10.283 ( 2.289 9.231 -0.956) 9.558 10.741 ( 0.639 7.107 5.073) 8.756 10.860 ( 4.370 4.932 -4.776) 8.138 11.425 ( -3.456 -3.532 -0.032) 4.942 11.466 ( -1.054 2.225 0.972) 2.647 11.666 ( 2.999 -8.843 2.737) 9.730 11.864 ( -5.872 12.165 -2.453) 13.729 12.735 ( -0.554 -6.318 0.053) 6.343 13.429 ( 6.187 -5.434 -9.622) 12.664 13.475 ( -1.199 4.755 11.989) 12.953 14.181 ( 1.286 -17.055 -1.779) 17.196 14.326 ( -0.956 -12.307 -1.065) 12.390 15.370 ( 2.469 19.586 -1.118) 19.773 15.542 ( 4.786 19.691 1.718) 20.337 16.317 ( -12.247 -12.020 0.644) 17.172 16.440 ( -6.462 -14.340 -0.390) 15.734 17.460 ( 1.077 21.829 0.660) 21.865 19.479 ( 10.512 -11.572 -3.437) 16.007 20.359 ( 5.551 -5.750 -2.682) 8.430 20.722 ( -8.322 -5.490 5.489) 11.381 23.188 ( -0.364 -0.740 0.326) 0.887 23.363 ( 0.271 -1.898 -0.678) 2.034 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 25.571 0.000) 25.571 0.978 ( 0.000 27.992 0.000) 27.992 2.057 ( 0.000 53.241 0.000) 53.241 2.893 ( -0.000 -0.895 -0.000) 0.895 2.931 ( 0.000 4.995 0.000) 4.995 3.263 ( 0.000 0.192 0.000) 0.192 3.287 ( -0.000 -8.557 -0.000) 8.557 3.361 ( 0.000 4.717 0.000) 4.717 3.438 ( 0.000 3.134 0.000) 3.134 3.695 ( -0.000 -4.201 -0.000) 4.201 3.719 ( -0.000 -10.341 -0.000) 10.341 3.814 ( -0.000 -11.646 -0.000) 11.646 3.915 ( -0.000 -5.876 -0.000) 5.876 3.968 ( 0.000 0.881 0.000) 0.881 4.420 ( 0.000 8.487 0.000) 8.487 4.490 ( 0.000 1.603 0.000) 1.603 4.645 ( -0.000 -0.196 -0.000) 0.196 4.827 ( 0.000 0.449 0.000) 0.449 5.030 ( 0.000 2.538 0.000) 2.538 5.187 ( 0.000 8.108 0.000) 8.108 5.203 ( -0.000 -4.042 -0.000) 4.042 5.425 ( -0.000 -4.631 -0.000) 4.631 5.475 ( 0.000 0.294 0.000) 0.294 6.140 ( 0.000 6.523 0.000) 6.523 6.239 ( -0.000 -0.366 -0.000) 0.366 6.377 ( -0.000 -1.389 -0.000) 1.389 6.583 ( 0.000 2.751 0.000) 2.751 6.659 ( 0.000 11.701 0.000) 11.701 6.850 ( 0.000 16.257 0.000) 16.257 6.997 ( 0.000 0.720 0.000) 0.720 7.264 ( 0.000 14.779 0.000) 14.779 8.063 ( -0.000 -0.504 -0.000) 0.504 8.501 ( -0.000 -9.164 -0.000) 9.164 9.003 ( -0.000 -0.714 -0.000) 0.714 9.323 ( 0.000 2.108 0.000) 2.108 9.731 ( 0.000 7.517 0.000) 7.517 9.766 ( 0.000 4.099 0.000) 4.099 9.808 ( 0.000 16.439 0.000) 16.439 10.191 ( 0.000 3.978 0.000) 3.978 10.640 ( 0.000 3.601 0.000) 3.601 10.822 ( 0.000 2.120 0.000) 2.120 11.257 ( 0.000 13.821 0.000) 13.821 11.406 ( 0.000 9.604 0.000) 9.604 11.784 ( -0.000 -8.607 -0.000) 8.607 11.899 ( -0.000 -11.088 -0.000) 11.088 12.818 ( -0.000 -3.191 -0.000) 3.191 13.374 ( 0.000 4.843 0.000) 4.843 13.607 ( -0.000 -10.530 -0.000) 10.530 14.418 ( -0.000 -9.546 -0.000) 9.546 14.524 ( -0.000 -10.383 -0.000) 10.383 15.054 ( 0.000 17.234 0.000) 17.234 15.231 ( 0.000 14.753 0.000) 14.753 16.461 ( -0.000 -5.389 -0.000) 5.389 16.653 ( -0.000 -12.592 -0.000) 12.592 17.128 ( 0.000 14.465 0.000) 14.465 19.669 ( -0.000 -5.610 -0.000) 5.610 20.490 ( -0.000 -6.312 -0.000) 6.312 20.776 ( -0.000 -4.202 -0.000) 4.202 23.200 ( -0.000 -0.726 -0.000) 0.726 23.399 ( -0.000 -2.022 -0.000) 2.022 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 24.830 0.000 5.965) 25.536 0.945 ( 24.212 0.000 17.533) 29.893 1.881 ( 48.047 0.000 8.419) 48.779 2.799 ( -2.692 -0.000 -4.169) 4.963 3.004 ( 6.792 0.000 0.779) 6.836 3.153 ( -1.937 -0.000 -13.140) 13.282 3.231 ( -4.323 -0.000 0.295) 4.333 3.325 ( 4.526 0.000 -3.590) 5.776 3.552 ( -1.599 -0.000 -0.434) 1.657 3.619 ( -3.331 -0.000 -1.714) 3.746 3.769 ( -4.005 -0.000 15.253) 15.770 3.815 ( -3.749 -0.000 -6.146) 7.199 4.014 ( -2.314 -0.000 5.066) 5.570 4.141 ( -4.093 -0.000 0.724) 4.157 4.210 ( -5.615 -0.000 -1.169) 5.736 4.288 ( 0.656 0.000 2.020) 2.124 4.460 ( 0.188 0.000 -4.257) 4.261 4.937 ( -2.592 -0.000 0.791) 2.710 4.964 ( 8.683 0.000 1.722) 8.852 5.088 ( 5.497 0.000 -7.468) 9.273 5.436 ( 7.338 0.000 -5.464) 9.149 5.681 ( -3.364 -0.000 -2.558) 4.226 5.733 ( 5.746 0.000 10.517) 11.984 5.802 ( -0.793 -0.000 -4.106) 4.182 5.923 ( -12.874 -0.000 0.726) 12.894 6.288 ( -6.827 -0.000 -1.014) 6.902 6.336 ( -15.245 -0.000 -0.592) 15.257 6.658 ( 9.746 0.000 0.881) 9.786 6.880 ( 8.442 0.000 7.174) 11.078 6.975 ( 5.889 0.000 -4.246) 7.260 7.203 ( 7.664 0.000 -10.476) 12.980 7.979 ( -6.013 -0.000 6.571) 8.907 8.476 ( -9.569 -0.000 -1.634) 9.708 8.621 ( -6.137 -0.000 2.149) 6.502 9.383 ( -0.313 -0.000 -3.753) 3.766 9.385 ( 3.291 0.000 -1.042) 3.452 9.661 ( -0.084 -0.000 0.019) 0.086 9.815 ( -11.794 -0.000 -14.822) 18.941 10.306 ( 0.825 0.000 0.655) 1.054 10.355 ( -1.275 -0.000 -3.267) 3.507 10.524 ( -10.784 -0.000 -5.970) 12.326 10.715 ( 3.552 0.000 -1.386) 3.813 11.246 ( 0.306 0.000 0.328) 0.449 12.009 ( -1.157 -0.000 5.535) 5.655 12.248 ( 12.590 0.000 -15.707) 20.130 12.663 ( 2.700 0.000 1.501) 3.089 13.295 ( -1.592 -0.000 0.494) 1.667 13.942 ( -3.451 -0.000 6.688) 7.526 14.333 ( 3.939 0.000 -0.012) 3.939 14.642 ( -1.977 -0.000 0.137) 1.982 15.151 ( -4.356 -0.000 14.343) 14.989 15.350 ( -1.284 -0.000 -9.525) 9.612 16.331 ( -0.938 -0.000 0.265) 0.975 16.382 ( -0.685 -0.000 -0.212) 0.717 17.313 ( 19.491 0.000 4.532) 20.011 19.512 ( -12.246 -0.000 32.004) 34.267 20.413 ( -7.805 -0.000 -4.555) 9.037 21.212 ( 11.096 0.000 -21.054) 23.799 23.253 ( 1.971 0.000 -0.771) 2.116 23.428 ( -1.744 -0.000 4.243) 4.588 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 21.520 -9.848 15.408) 28.240 1.316 ( 18.826 -25.558 4.994) 32.133 2.323 ( 33.580 -10.206 3.773) 35.298 2.810 ( -5.177 -4.848 -2.275) 7.449 3.054 ( 2.519 -2.609 -3.529) 5.060 3.129 ( 0.888 -0.999 -10.220) 10.307 3.212 ( -0.142 0.389 0.785) 0.888 3.312 ( 0.462 4.237 4.397) 6.124 3.491 ( -4.937 2.197 -1.844) 5.709 3.609 ( 7.208 1.986 -6.884) 10.163 3.716 ( 0.691 6.406 -2.106) 6.779 3.801 ( -6.777 -1.348 7.991) 10.565 3.970 ( 1.578 3.453 5.136) 6.387 4.120 ( -4.664 -0.109 -0.643) 4.709 4.183 ( -0.687 8.161 2.167) 8.471 4.243 ( -5.367 -9.055 -0.552) 10.540 4.566 ( 0.384 -8.708 -3.163) 9.273 4.918 ( -2.995 0.452 1.234) 3.271 5.067 ( 6.270 -3.554 2.161) 7.524 5.087 ( 4.868 2.927 -3.595) 6.722 5.441 ( 6.740 2.741 -4.710) 8.667 5.709 ( -2.029 4.861 -1.946) 5.615 5.725 ( 4.053 2.338 -1.297) 4.855 5.787 ( -2.826 -6.533 4.545) 8.445 5.949 ( -5.533 -11.214 -2.275) 12.710 6.194 ( -16.222 0.730 -2.352) 16.408 6.302 ( -6.451 -8.110 0.253) 10.366 6.787 ( 6.113 -6.020 0.828) 8.619 6.953 ( 3.225 -0.917 2.525) 4.197 7.113 ( 12.480 -7.534 -1.105) 14.620 7.260 ( 7.814 -2.485 -5.844) 10.069 7.896 ( -4.283 5.621 6.376) 9.518 8.408 ( -13.420 0.307 0.070) 13.424 8.745 ( -2.123 -17.683 0.694) 17.824 9.332 ( -1.511 2.096 -3.457) 4.316 9.446 ( 1.417 -3.581 -0.295) 3.862 9.575 ( -11.650 4.413 -3.749) 13.010 9.797 ( -0.824 -8.068 -6.850) 10.616 10.074 ( 0.156 8.337 3.600) 9.082 10.430 ( -11.100 -0.947 -4.037) 11.849 10.613 ( -0.636 -10.980 0.925) 11.037 10.857 ( -0.424 -14.070 -3.769) 14.572 11.293 ( 1.035 -4.880 -0.254) 4.995 11.973 ( 0.122 4.193 3.272) 5.320 12.296 ( 10.655 2.360 -9.213) 14.282 12.696 ( 1.507 -0.617 1.133) 1.984 13.241 ( -2.265 4.300 0.429) 4.879 13.831 ( -1.085 9.846 2.320) 10.173 14.412 ( 1.978 -3.832 0.434) 4.334 14.699 ( -3.527 -6.867 -0.788) 7.760 14.906 ( -3.305 17.831 8.166) 19.889 15.307 ( 3.868 4.218 -4.410) 7.225 16.479 ( 0.101 -16.084 0.583) 16.095 16.579 ( -2.076 -17.333 -4.159) 17.946 17.441 ( 19.316 4.120 3.403) 20.042 19.367 ( -10.673 12.265 18.150) 24.368 20.329 ( -7.159 1.621 -1.405) 7.474 21.193 ( 7.880 5.894 -11.423) 15.077 23.257 ( 1.628 0.957 -1.078) 2.175 23.414 ( -1.302 1.131 3.783) 4.157 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 17.456 -14.373 12.581) 25.876 1.901 ( 15.169 -23.690 4.571) 28.499 2.695 ( 10.275 -9.819 -5.529) 15.250 2.851 ( -5.217 -5.678 0.884) 7.761 3.100 ( -6.001 4.373 7.856) 10.810 3.163 ( 0.662 -7.969 -6.264) 10.158 3.197 ( 9.302 1.674 -5.714) 11.044 3.277 ( -5.008 -0.905 0.204) 5.093 3.375 ( -4.146 4.373 -4.182) 7.335 3.515 ( 1.045 8.688 -1.631) 8.902 3.647 ( -0.516 3.925 2.581) 4.726 3.879 ( 16.614 -3.957 0.501) 17.086 3.920 ( 4.183 7.395 1.951) 8.717 4.009 ( -2.695 8.728 -0.371) 9.142 4.136 ( -1.083 -5.377 -2.853) 6.183 4.400 ( -5.517 -11.065 5.167) 13.400 4.709 ( 0.277 -8.587 -2.960) 9.087 4.853 ( -5.048 4.152 1.472) 6.700 5.062 ( 1.730 2.204 0.845) 2.926 5.169 ( 3.329 -2.196 2.147) 4.530 5.454 ( 5.741 1.232 -2.534) 6.395 5.578 ( 1.339 5.016 -6.022) 7.951 5.733 ( 4.158 0.585 1.740) 4.545 5.893 ( -11.275 -2.411 1.947) 11.693 6.014 ( -7.060 -6.365 -0.284) 9.510 6.208 ( -3.682 -12.802 -6.208) 14.697 6.451 ( -1.213 -11.470 -0.460) 11.543 6.939 ( 1.095 -5.752 2.224) 6.264 7.001 ( 3.847 -4.262 -0.459) 5.760 7.356 ( 3.421 -7.538 -4.672) 9.505 7.395 ( 14.827 -7.328 3.530) 16.912 7.762 ( -5.183 5.929 1.320) 7.986 8.301 ( -8.661 1.280 2.599) 9.133 9.085 ( -0.195 -17.526 0.932) 17.552 9.288 ( -2.635 -2.615 -6.281) 7.296 9.402 ( -15.579 1.691 1.485) 15.741 9.567 ( 4.936 -7.716 1.675) 9.312 9.954 ( 1.164 -9.737 -6.000) 11.497 10.019 ( -3.302 -1.913 3.077) 4.902 10.372 ( -9.748 -3.175 -1.140) 10.315 10.781 ( 1.668 -7.930 6.256) 10.237 11.092 ( -3.339 -14.591 -7.923) 16.936 11.421 ( 1.290 -8.373 -1.182) 8.553 11.891 ( 2.124 7.247 4.169) 8.626 12.304 ( 9.200 2.608 -4.854) 10.723 12.701 ( -0.955 0.605 0.715) 1.338 13.124 ( -4.147 5.904 -0.604) 7.240 13.645 ( 0.485 10.643 0.241) 10.657 14.374 ( -3.343 11.044 2.057) 11.721 14.616 ( 1.939 8.965 3.058) 9.668 14.866 ( -4.533 -10.080 1.047) 11.102 15.269 ( 0.891 -0.174 -4.023) 4.124 16.788 ( -1.531 -13.329 -6.183) 14.773 16.887 ( 7.733 -20.438 1.583) 21.909 17.499 ( 17.938 5.650 1.632) 18.878 19.031 ( -13.305 18.307 9.814) 24.667 20.250 ( -4.626 1.825 0.811) 5.039 21.089 ( 4.253 9.082 -6.223) 11.802 23.241 ( 0.983 1.670 -1.005) 2.183 23.388 ( -0.728 1.710 2.752) 3.320 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 13.560 -15.715 9.445) 22.804 2.375 ( 10.836 -17.218 4.379) 20.810 2.781 ( -0.859 -1.583 -7.066) 7.292 2.925 ( -5.030 2.247 1.846) 5.810 2.941 ( -4.860 3.783 1.291) 6.293 3.085 ( -7.024 7.579 1.576) 10.453 3.211 ( -0.459 3.522 -5.412) 6.473 3.335 ( 0.531 -8.103 0.077) 8.121 3.390 ( 3.865 -1.226 -5.947) 7.198 3.420 ( 4.350 1.571 0.972) 4.726 3.630 ( 0.844 -1.876 -0.422) 2.100 3.776 ( -1.450 9.975 -5.246) 11.363 3.838 ( 0.453 4.821 3.521) 5.987 4.152 ( 11.513 -7.794 4.297) 14.552 4.267 ( 11.993 -5.851 -4.744) 14.162 4.503 ( -7.085 -3.856 8.491) 11.712 4.717 ( -5.637 5.579 1.009) 7.995 4.880 ( 1.480 -10.943 -3.851) 11.695 5.016 ( -0.904 5.374 0.199) 5.454 5.181 ( -1.895 0.749 1.967) 2.832 5.448 ( -1.765 0.723 -2.645) 3.261 5.559 ( 6.414 1.252 -4.172) 7.753 5.754 ( -10.512 0.591 -1.410) 10.622 5.790 ( 1.583 -2.409 4.102) 5.014 6.146 ( -1.248 -7.788 -1.182) 7.975 6.377 ( -2.483 -10.056 1.246) 10.432 6.588 ( 4.082 -0.915 -4.494) 6.140 6.994 ( 3.980 -0.885 0.365) 4.093 7.219 ( -0.158 -15.642 0.623) 15.655 7.386 ( -1.476 3.940 -1.392) 4.432 7.643 ( 1.594 -3.711 1.939) 4.480 7.722 ( 4.749 -10.542 -1.523) 11.662 8.256 ( -2.338 -0.378 4.819) 5.370 9.153 ( -2.883 0.411 -6.776) 7.375 9.255 ( -14.270 2.101 3.363) 14.811 9.493 ( 8.006 -11.003 -0.387) 13.613 9.830 ( 2.408 -16.783 3.359) 17.284 10.047 ( -4.966 -6.530 0.891) 8.252 10.119 ( -0.178 -8.176 -6.888) 10.692 10.410 ( -7.095 -8.991 3.617) 12.011 10.940 ( 1.364 -6.595 8.754) 11.044 11.245 ( -2.034 -7.473 -11.780) 14.098 11.577 ( 1.268 -8.224 -1.569) 8.468 11.765 ( 2.034 10.404 3.979) 11.323 12.378 ( 10.579 -3.540 -0.863) 11.189 12.658 ( -2.697 3.035 1.386) 4.290 12.985 ( -8.097 3.207 -1.638) 8.862 13.495 ( 1.002 6.747 -0.809) 6.869 14.094 ( -1.439 16.038 1.036) 16.136 14.468 ( 0.993 11.988 3.675) 12.578 15.037 ( -5.098 -13.611 -0.571) 14.545 15.323 ( -2.673 -7.367 -2.596) 8.255 16.853 ( 2.721 5.375 -3.634) 7.036 17.303 ( 15.168 -10.265 -1.992) 18.423 17.617 ( 12.136 -8.778 3.146) 15.305 18.614 ( -17.698 15.026 4.836) 23.714 20.203 ( -1.134 1.119 1.541) 2.216 20.925 ( 0.611 10.295 -3.821) 10.998 23.214 ( 0.496 1.726 -0.526) 1.872 23.359 ( -0.374 1.641 1.449) 2.220 ======================= Grid point 27 (20/172) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 4.575 -5.462 2.964) 7.717 2.579 ( 0.608 0.594 4.398) 4.480 2.725 ( -3.927 16.632 -0.616) 17.101 2.775 ( -1.800 -4.284 -3.865) 6.044 2.871 ( 3.371 -5.648 -0.043) 6.577 3.061 ( -3.686 -5.129 -0.272) 6.322 3.143 ( 1.709 3.007 0.755) 3.540 3.350 ( 3.894 4.154 -0.482) 5.714 3.440 ( 1.107 1.478 -0.286) 1.869 3.494 ( 1.700 -5.895 -1.380) 6.288 3.593 ( -3.186 4.390 -4.973) 7.359 3.672 ( 2.796 0.736 2.074) 3.558 3.869 ( 0.216 -5.619 -2.276) 6.066 4.306 ( -1.876 -5.683 4.609) 7.554 4.428 ( 9.976 1.913 -4.624) 11.161 4.524 ( 1.265 -1.572 8.745) 8.974 4.632 ( -1.403 -1.355 -0.894) 2.146 4.837 ( -1.733 12.549 -1.030) 12.710 5.024 ( -4.465 -4.807 -0.887) 6.620 5.206 ( 0.069 -5.468 -0.545) 5.495 5.365 ( -8.920 1.561 -2.829) 9.488 5.577 ( 4.742 2.301 1.077) 5.380 5.720 ( -1.539 -2.152 -1.630) 3.107 5.894 ( 1.604 -6.171 1.821) 6.631 6.211 ( -1.205 -1.480 -0.670) 2.023 6.466 ( 2.868 7.392 1.971) 8.170 6.608 ( -1.377 -9.425 -1.348) 9.620 7.022 ( 5.690 3.182 -1.114) 6.614 7.208 ( -7.707 7.502 -1.355) 10.841 7.497 ( 2.924 -10.871 -1.179) 11.319 7.710 ( -2.975 -5.422 1.343) 6.329 7.962 ( 5.063 -8.557 -0.338) 9.948 8.303 ( 3.007 -2.847 4.936) 6.443 9.106 ( -5.502 2.272 -1.999) 6.279 9.141 ( -6.792 -1.773 -1.743) 7.233 9.673 ( 9.047 -1.764 -0.308) 9.223 10.059 ( -2.026 -8.684 0.875) 8.960 10.128 ( 0.308 -3.106 -3.524) 4.708 10.324 ( 0.305 -16.694 2.389) 16.866 10.560 ( -6.219 -12.146 1.932) 13.781 11.062 ( 0.396 -4.621 8.181) 9.405 11.261 ( 0.061 1.780 -9.218) 9.388 11.586 ( 0.994 11.832 0.816) 11.901 11.698 ( 1.034 -4.291 -1.214) 4.578 12.507 ( 7.036 2.490 2.448) 7.855 12.580 ( -1.389 2.501 -1.331) 3.156 12.963 ( -7.419 -12.022 0.290) 14.130 13.413 ( 0.614 4.435 -1.093) 4.609 13.874 ( 0.672 6.701 -1.272) 6.854 14.245 ( 0.765 14.548 3.305) 14.938 15.249 ( -4.514 -15.375 -1.261) 16.074 15.463 ( -3.762 -12.051 -0.192) 12.626 16.650 ( 3.018 18.284 -1.913) 18.629 17.299 ( 11.301 22.061 -1.716) 24.846 17.939 ( 2.755 -11.348 4.100) 12.377 18.439 ( -7.811 -12.427 0.154) 14.679 20.200 ( 2.056 0.034 1.173) 2.367 20.745 ( -2.486 7.998 -2.013) 8.614 23.191 ( 0.227 1.163 -0.000) 1.185 23.335 ( -0.200 1.002 0.356) 1.082 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -6.046 19.868 -1.525) 20.823 2.351 ( -2.059 22.348 -1.176) 22.474 2.770 ( 6.000 -8.164 0.766) 10.161 2.839 ( -2.718 -4.857 0.716) 5.612 3.028 ( 1.282 -6.793 0.794) 6.958 3.121 ( -1.288 -4.414 -0.784) 4.664 3.174 ( 5.623 -2.884 -0.759) 6.365 3.314 ( -0.251 2.166 -0.111) 2.183 3.434 ( -0.815 -3.200 3.859) 5.079 3.459 ( 0.291 4.674 -2.944) 5.531 3.627 ( -2.139 -4.685 0.057) 5.151 3.675 ( 2.734 1.655 -0.267) 3.207 3.947 ( 0.248 -2.757 0.414) 2.799 4.297 ( 0.423 9.410 -0.979) 9.470 4.458 ( 2.163 0.951 -0.704) 2.466 4.514 ( -1.194 1.670 3.353) 3.931 4.587 ( -0.416 4.235 -1.556) 4.531 4.752 ( 0.626 -3.787 0.160) 3.842 5.038 ( -3.550 -3.284 1.102) 4.960 5.234 ( -4.086 1.936 -0.965) 4.624 5.347 ( 0.543 -3.410 -1.029) 3.603 5.543 ( 1.469 4.737 1.409) 5.156 5.737 ( -0.793 0.471 -1.406) 1.681 6.023 ( 2.985 -6.314 -0.985) 7.053 6.209 ( -1.910 -0.267 2.400) 3.079 6.308 ( 0.011 8.358 -1.164) 8.438 6.794 ( -0.042 -9.762 2.864) 10.174 6.959 ( 3.644 7.140 -2.341) 8.351 7.021 ( -5.705 7.130 -0.350) 9.138 7.610 ( 0.126 -0.598 -1.868) 1.966 7.762 ( 0.125 -0.334 1.687) 1.725 8.080 ( 2.697 -2.254 -0.548) 3.557 8.368 ( 1.724 -0.204 1.942) 2.605 9.017 ( -3.968 2.041 1.257) 4.635 9.189 ( -0.953 -5.995 -2.682) 6.636 9.727 ( 2.919 -0.596 -0.587) 3.037 10.088 ( 1.485 3.758 0.567) 4.080 10.216 ( -0.016 -5.573 -2.408) 6.071 10.538 ( 1.907 -2.657 3.024) 4.454 10.751 ( -4.537 -15.841 -1.996) 16.598 11.121 ( 2.837 6.234 11.369) 13.273 11.199 ( -0.536 -0.993 -8.738) 8.810 11.387 ( -1.691 8.065 -0.621) 8.264 11.716 ( 0.142 2.790 -0.677) 2.874 12.424 ( 0.971 11.012 1.283) 11.129 12.532 ( -1.633 -1.451 -0.997) 2.402 13.275 ( 0.751 -22.112 0.709) 22.136 13.332 ( 0.572 3.650 -0.643) 3.750 13.898 ( 0.315 -8.060 -1.925) 8.293 14.014 ( 0.484 12.425 2.068) 12.605 15.495 ( -1.299 -15.438 -0.401) 15.498 15.674 ( -2.028 -14.066 0.395) 14.217 16.309 ( 0.946 20.772 -0.845) 20.811 16.823 ( -1.550 32.142 -0.165) 32.180 17.999 ( 0.084 4.321 1.068) 4.452 18.814 ( 3.172 -25.086 -0.242) 25.287 20.238 ( 3.616 -1.572 -0.032) 3.943 20.623 ( -3.974 2.282 0.036) 4.583 23.179 ( 0.030 0.380 0.206) 0.433 23.325 ( -0.045 -0.044 -0.161) 0.173 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 23.920 0.000) 23.920 1.921 ( 0.000 25.648 0.000) 25.648 2.841 ( -0.000 -0.632 -0.000) 0.632 2.966 ( -0.000 -8.959 -0.000) 8.959 3.076 ( 0.000 3.485 0.000) 3.485 3.213 ( -0.000 -5.408 -0.000) 5.408 3.249 ( 0.000 4.578 0.000) 4.578 3.279 ( -0.000 -5.847 -0.000) 5.847 3.435 ( -0.000 -4.547 -0.000) 4.547 3.582 ( -0.000 -10.299 -0.000) 10.299 3.612 ( 0.000 5.699 0.000) 5.699 3.653 ( 0.000 2.367 0.000) 2.367 3.964 ( 0.000 22.964 0.000) 22.964 3.965 ( 0.000 0.521 0.000) 0.521 4.469 ( -0.000 -2.441 -0.000) 2.441 4.486 ( -0.000 -1.317 -0.000) 1.317 4.662 ( -0.000 -6.032 -0.000) 6.032 4.775 ( 0.000 1.323 0.000) 1.323 5.088 ( -0.000 -2.250 -0.000) 2.250 5.167 ( 0.000 2.773 0.000) 2.773 5.376 ( 0.000 0.075 0.000) 0.075 5.445 ( 0.000 7.031 0.000) 7.031 5.662 ( 0.000 6.730 0.000) 6.730 6.149 ( -0.000 -6.058 -0.000) 6.058 6.208 ( -0.000 -0.502 -0.000) 0.502 6.237 ( -0.000 -0.657 -0.000) 0.657 6.826 ( 0.000 9.369 0.000) 9.369 6.884 ( 0.000 3.494 0.000) 3.494 6.943 ( -0.000 -4.481 -0.000) 4.481 7.505 ( 0.000 12.397 0.000) 12.397 7.704 ( 0.000 7.472 0.000) 7.472 8.097 ( 0.000 1.085 0.000) 1.085 8.360 ( 0.000 0.619 0.000) 0.619 8.984 ( 0.000 0.313 0.000) 0.313 9.281 ( -0.000 -4.485 -0.000) 4.485 9.762 ( -0.000 -2.193 -0.000) 2.193 10.002 ( 0.000 6.537 0.000) 6.537 10.243 ( 0.000 2.520 0.000) 2.520 10.481 ( 0.000 9.256 0.000) 9.256 10.881 ( 0.000 3.843 0.000) 3.843 11.012 ( 0.000 11.611 0.000) 11.611 11.176 ( -0.000 -11.465 -0.000) 11.465 11.459 ( -0.000 -11.800 -0.000) 11.800 11.614 ( 0.000 8.029 0.000) 8.029 12.162 ( 0.000 18.371 0.000) 18.371 12.611 ( -0.000 -6.930 -0.000) 6.930 13.331 ( -0.000 -3.540 -0.000) 3.540 13.572 ( -0.000 -3.981 -0.000) 3.981 13.921 ( -0.000 -7.241 -0.000) 7.241 14.091 ( -0.000 -13.040 -0.000) 13.040 15.651 ( 0.000 5.245 0.000) 5.245 15.845 ( 0.000 0.614 0.000) 0.614 16.068 ( -0.000 -1.014 -0.000) 1.014 16.336 ( 0.000 14.080 0.000) 14.080 17.814 ( 0.000 16.647 0.000) 16.647 19.234 ( -0.000 -20.278 -0.000) 20.278 20.300 ( -0.000 -3.534 -0.000) 3.534 20.615 ( -0.000 -3.179 -0.000) 3.179 23.178 ( -0.000 -0.286 -0.000) 0.286 23.336 ( -0.000 -1.161 -0.000) 1.161 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 23.992 0.000 5.494) 24.613 1.393 ( 22.749 0.000 16.139) 27.892 2.484 ( 22.453 0.000 0.908) 22.471 2.680 ( -10.619 -0.000 -3.368) 11.141 3.031 ( -0.453 -0.000 -10.149) 10.159 3.115 ( 5.918 0.000 -15.276) 16.382 3.219 ( 2.417 0.000 4.349) 4.975 3.404 ( -4.276 -0.000 9.819) 10.710 3.482 ( 2.075 0.000 1.399) 2.502 3.701 ( -12.399 -0.000 13.215) 18.121 3.712 ( 11.037 0.000 -9.810) 14.767 3.800 ( 11.549 0.000 -1.521) 11.648 4.040 ( 0.685 0.000 7.062) 7.095 4.077 ( -3.351 -0.000 -0.701) 3.424 4.112 ( -4.799 -0.000 0.611) 4.838 4.257 ( -4.720 -0.000 -1.594) 4.982 4.471 ( 2.914 0.000 -4.756) 5.577 4.902 ( -2.806 -0.000 4.035) 4.915 5.098 ( 7.214 0.000 1.391) 7.347 5.160 ( 7.001 0.000 -2.870) 7.566 5.511 ( 4.582 0.000 -7.649) 8.916 5.621 ( -1.574 -0.000 -5.832) 6.041 5.738 ( -9.915 -0.000 4.230) 10.780 5.768 ( -2.845 -0.000 -3.958) 4.874 5.853 ( 3.710 0.000 6.138) 7.172 6.030 ( -20.651 -0.000 -3.942) 21.024 6.174 ( -7.427 -0.000 -0.215) 7.431 6.782 ( 4.712 0.000 0.975) 4.812 6.972 ( 3.242 0.000 0.551) 3.288 7.146 ( 14.081 0.000 1.005) 14.117 7.287 ( 7.657 0.000 -6.524) 10.060 7.956 ( -1.429 -0.000 9.543) 9.649 8.287 ( -12.877 -0.000 0.999) 12.916 8.588 ( 0.966 0.000 -0.073) 0.968 9.327 ( -5.012 -0.000 -1.408) 5.206 9.389 ( -3.399 -0.000 1.010) 3.546 9.551 ( -12.997 -0.000 -12.396) 17.961 9.650 ( -0.167 -0.000 -2.155) 2.161 10.293 ( -7.405 -0.000 2.810) 7.920 10.336 ( 2.365 0.000 0.787) 2.492 10.350 ( -5.531 -0.000 -6.962) 8.892 10.760 ( 2.794 0.000 -1.062) 2.989 11.258 ( 1.091 0.000 0.018) 1.092 12.000 ( -1.142 -0.000 -0.410) 1.213 12.388 ( 10.668 0.000 -5.425) 11.968 12.729 ( 4.240 0.000 2.309) 4.828 13.264 ( -2.733 -0.000 0.928) 2.886 13.915 ( -2.119 -0.000 0.495) 2.176 14.399 ( 4.208 0.000 0.081) 4.208 14.608 ( -2.290 -0.000 0.119) 2.294 15.050 ( -9.034 -0.000 1.541) 9.165 15.401 ( 6.451 0.000 -0.076) 6.451 16.319 ( -0.847 -0.000 0.967) 1.286 16.367 ( -0.854 -0.000 -0.918) 1.254 17.639 ( 18.904 0.000 3.053) 19.149 19.450 ( -8.294 -0.000 12.250) 14.794 20.281 ( -7.049 -0.000 -0.358) 7.058 21.277 ( 5.738 0.000 -8.661) 10.389 23.275 ( 1.258 0.000 -1.185) 1.729 23.424 ( -0.966 -0.000 3.803) 3.924 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 19.093 -19.494 4.392) 27.638 1.659 ( 19.982 -6.564 14.385) 25.481 2.618 ( 1.320 -4.964 -3.114) 6.006 2.658 ( -10.403 -6.939 -3.165) 12.900 3.051 ( 5.263 -4.057 -13.345) 14.908 3.130 ( 5.362 1.134 -5.714) 7.917 3.255 ( -0.272 -0.532 3.576) 3.626 3.315 ( -2.678 4.845 1.804) 5.822 3.446 ( 1.346 6.576 2.422) 7.136 3.637 ( -6.948 2.297 7.190) 10.259 3.684 ( -1.004 4.780 -1.269) 5.046 3.952 ( 12.708 -3.015 -0.856) 13.089 4.059 ( 2.128 3.969 1.920) 4.896 4.097 ( -3.098 3.115 -0.612) 4.436 4.101 ( 11.864 -2.185 -2.269) 12.275 4.212 ( -1.271 -6.519 8.188) 10.543 4.549 ( 0.163 -6.464 -6.864) 9.430 4.881 ( -2.705 1.532 3.792) 4.904 5.139 ( 3.199 2.799 1.926) 4.666 5.190 ( 6.460 0.707 2.039) 6.811 5.480 ( -0.876 0.706 -5.170) 5.291 5.624 ( -6.699 3.071 -2.418) 7.756 5.701 ( -3.943 -4.840 -5.135) 8.083 5.784 ( -2.004 -4.434 0.321) 4.877 5.904 ( -6.819 -1.399 -1.989) 7.240 5.946 ( -3.095 -9.719 -2.202) 10.435 6.190 ( -7.718 -9.772 2.278) 12.659 6.848 ( 1.217 -4.328 1.266) 4.670 7.013 ( 3.986 -0.998 -0.587) 4.151 7.292 ( 8.933 -3.523 -2.823) 10.009 7.383 ( 10.563 -5.940 -0.273) 12.121 7.888 ( -1.022 8.668 5.445) 10.288 8.217 ( -10.516 -2.227 2.474) 11.030 8.750 ( 2.109 -15.799 0.957) 15.967 9.259 ( -5.481 1.487 -2.979) 6.413 9.336 ( -12.194 4.340 -3.539) 13.418 9.459 ( -2.732 -7.466 0.269) 7.955 9.764 ( 0.325 -10.484 -4.841) 11.552 10.086 ( -0.408 9.674 2.094) 9.906 10.256 ( -8.609 -0.889 -2.255) 8.943 10.616 ( 0.304 -14.920 1.564) 15.005 10.842 ( 0.257 -7.871 -2.992) 8.425 11.311 ( 1.268 -4.931 -0.395) 5.107 11.976 ( -0.394 1.738 -0.220) 1.796 12.416 ( 7.819 3.967 -3.152) 9.317 12.749 ( 3.775 2.037 1.730) 4.625 13.199 ( -3.138 4.872 0.690) 5.836 13.819 ( -0.960 8.315 -0.380) 8.379 14.446 ( 1.923 -0.253 0.588) 2.027 14.637 ( -3.814 -4.243 -0.438) 5.722 14.873 ( -2.820 9.889 1.837) 10.446 15.362 ( 4.095 7.565 -0.971) 8.656 16.469 ( -0.845 -15.768 -0.983) 15.821 16.555 ( -0.353 -19.360 -0.281) 19.366 17.743 ( 16.439 4.762 1.895) 17.220 19.281 ( -7.436 14.329 6.938) 17.572 20.228 ( -5.201 0.356 0.793) 5.273 21.245 ( 3.655 6.027 -5.071) 8.683 23.270 ( 0.703 1.068 -1.037) 1.646 23.416 ( -0.483 1.158 2.918) 3.176 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 15.491 -10.729 10.351) 21.499 2.136 ( 11.903 -20.382 3.863) 23.917 2.679 ( -5.807 -5.207 -7.153) 10.583 2.728 ( -9.183 -11.296 -1.418) 14.626 3.045 ( -4.099 7.515 3.904) 9.409 3.179 ( 5.394 -2.277 -10.424) 11.955 3.214 ( -2.721 1.509 4.580) 5.536 3.305 ( 5.434 2.844 -4.485) 7.598 3.328 ( -0.506 0.963 -2.839) 3.040 3.558 ( 3.143 4.675 1.044) 5.729 3.607 ( -2.296 1.623 3.932) 4.834 3.896 ( -8.035 8.302 -4.112) 12.263 3.972 ( -0.476 6.866 2.371) 7.280 4.103 ( 5.344 -6.222 1.077) 8.272 4.341 ( 14.079 -4.915 5.221) 15.800 4.401 ( 15.022 -4.960 3.736) 16.255 4.630 ( -5.134 -6.430 -7.684) 11.259 4.832 ( 0.067 1.829 3.159) 3.651 5.085 ( -0.748 3.992 3.187) 5.163 5.206 ( -0.564 2.401 2.451) 3.477 5.413 ( -13.319 1.215 -3.388) 13.797 5.563 ( 0.706 -1.511 -5.268) 5.526 5.673 ( -5.092 -1.356 -1.807) 5.571 5.846 ( 4.916 2.505 0.882) 5.588 5.958 ( -2.032 -9.904 -0.039) 10.110 6.142 ( -2.719 -13.831 -2.944) 14.400 6.422 ( -1.693 -18.228 0.425) 18.311 6.963 ( 0.486 -7.702 2.157) 8.013 7.049 ( 2.505 -1.114 -0.958) 2.904 7.383 ( 2.858 -3.104 -3.168) 5.276 7.621 ( 8.966 -7.123 3.828) 12.075 7.701 ( -1.297 8.040 -2.327) 8.470 8.212 ( -4.480 -2.830 4.532) 6.973 9.079 ( -0.606 -12.070 -2.624) 12.367 9.182 ( -9.958 0.897 2.554) 10.319 9.224 ( -3.434 -9.094 -3.536) 10.344 9.653 ( 3.359 -13.011 2.601) 13.687 9.935 ( 0.288 -3.843 -2.668) 4.687 9.996 ( -0.126 -4.286 -1.776) 4.641 10.224 ( -8.840 -3.908 1.128) 9.731 10.847 ( 2.599 -8.936 7.386) 11.881 11.006 ( -2.679 -13.060 -8.696) 15.917 11.436 ( 1.058 -8.097 -0.741) 8.200 11.925 ( 0.671 5.139 1.594) 5.422 12.396 ( 4.602 1.226 -2.482) 5.370 12.726 ( 2.670 3.903 1.634) 5.004 13.053 ( -4.281 8.456 -0.410) 9.487 13.650 ( 0.158 9.787 -0.309) 9.793 14.347 ( -0.956 12.391 0.876) 12.458 14.613 ( -2.735 3.703 1.334) 4.793 14.839 ( 0.134 -5.797 0.645) 5.834 15.269 ( 0.782 3.347 -2.053) 4.004 16.745 ( -1.087 -14.672 -2.914) 14.998 16.978 ( 3.254 -26.690 1.046) 26.908 17.758 ( 13.004 5.950 0.513) 14.309 18.893 ( -7.998 23.805 4.061) 25.439 20.198 ( -2.449 -0.155 0.953) 2.633 21.111 ( 1.426 10.299 -2.761) 10.758 23.247 ( 0.327 1.710 -0.616) 1.846 23.392 ( -0.213 1.848 1.629) 2.473 ======================= Grid point 37 (26/172) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 9.771 -12.167 5.562) 16.566 2.492 ( 1.077 -12.730 1.961) 12.925 2.732 ( 1.506 -3.182 -6.339) 7.251 2.810 ( -8.684 -1.607 2.346) 9.137 2.887 ( -1.948 1.945 -0.269) 2.766 3.033 ( -1.306 11.279 0.696) 11.376 3.210 ( 1.857 3.596 -2.402) 4.707 3.309 ( -1.878 -7.855 -0.419) 8.087 3.435 ( 2.789 -3.252 -3.224) 5.362 3.532 ( 7.036 4.822 5.250) 10.016 3.626 ( 0.507 -3.138 -3.540) 4.758 3.683 ( -7.116 6.223 -2.675) 9.825 3.863 ( 0.651 4.552 1.100) 4.728 4.230 ( 2.837 -3.314 1.248) 4.538 4.450 ( -2.501 -2.147 5.323) 6.261 4.575 ( 3.928 -4.231 -4.818) 7.520 4.640 ( 11.318 4.401 3.068) 12.525 4.906 ( 2.082 -5.382 -1.262) 5.907 5.010 ( 0.403 6.374 -0.067) 6.387 5.119 ( -9.450 -0.526 3.488) 10.087 5.285 ( -9.700 -0.158 -3.918) 10.463 5.611 ( 1.953 -2.299 -0.974) 3.170 5.693 ( 0.663 -1.218 -0.964) 1.689 5.830 ( 1.394 -0.293 0.907) 1.689 6.127 ( -0.607 -8.136 -0.390) 8.168 6.349 ( -1.318 -12.996 0.632) 13.078 6.622 ( 1.610 -0.680 -1.207) 2.124 7.069 ( 4.677 -3.115 0.771) 5.672 7.169 ( -4.677 -8.725 -0.960) 9.946 7.418 ( 5.225 1.718 1.455) 5.689 7.542 ( -7.452 -3.894 -3.078) 8.954 7.871 ( 6.334 -8.133 1.125) 10.370 8.265 ( 0.107 -4.097 3.191) 5.195 9.064 ( -3.227 -0.123 -5.116) 6.050 9.109 ( -5.292 1.901 2.569) 6.182 9.599 ( 4.746 -21.865 -0.089) 22.375 9.830 ( -3.066 -1.409 0.672) 3.441 10.038 ( 1.026 -16.982 1.745) 17.102 10.124 ( 5.059 -2.428 -3.283) 6.501 10.293 ( -8.447 -12.159 1.611) 14.892 10.998 ( 1.089 -5.295 5.513) 7.721 11.176 ( -0.862 -8.856 -6.648) 11.107 11.588 ( 0.606 -8.207 -0.629) 8.253 11.795 ( 0.467 10.501 1.342) 10.597 12.492 ( 3.618 -8.775 -1.100) 9.556 12.667 ( 2.626 5.681 2.383) 6.697 12.857 ( -6.323 7.435 -1.582) 9.888 13.504 ( 0.376 6.703 -0.285) 6.720 14.087 ( -0.056 15.277 0.180) 15.278 14.479 ( -0.573 10.660 1.619) 10.798 14.990 ( -1.001 -11.200 -0.301) 11.248 15.281 ( -1.306 -5.566 -1.021) 5.808 16.861 ( 0.387 2.449 -1.388) 2.841 17.454 ( 4.828 -19.095 -0.471) 19.702 17.810 ( 8.526 -3.820 0.766) 9.374 18.408 ( -9.019 20.830 1.821) 22.772 20.200 ( -0.159 -0.949 0.656) 1.164 20.912 ( -0.256 11.937 -1.307) 12.011 23.218 ( 0.141 1.693 -0.174) 1.708 23.360 ( -0.108 1.802 0.524) 1.880 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 9.723 0.000) 9.723 2.667 ( -0.000 -8.897 -0.000) 8.897 2.674 ( 0.000 4.578 0.000) 4.578 2.714 ( 0.000 8.116 0.000) 8.116 2.900 ( -0.000 -7.914 -0.000) 7.914 3.030 ( -0.000 -6.126 -0.000) 6.126 3.168 ( 0.000 0.977 0.000) 0.977 3.395 ( 0.000 5.352 0.000) 5.352 3.451 ( 0.000 6.126 0.000) 6.126 3.477 ( -0.000 -9.930 -0.000) 9.930 3.562 ( 0.000 4.093 0.000) 4.093 3.700 ( -0.000 -0.741 -0.000) 0.741 3.868 ( -0.000 -4.294 -0.000) 4.294 4.296 ( -0.000 -4.529 -0.000) 4.529 4.477 ( -0.000 -1.360 -0.000) 1.360 4.544 ( 0.000 4.940 0.000) 4.940 4.706 ( -0.000 -2.318 -0.000) 2.318 4.809 ( 0.000 14.035 0.000) 14.035 4.959 ( -0.000 -3.148 -0.000) 3.148 5.204 ( -0.000 -5.706 -0.000) 5.706 5.262 ( -0.000 -2.954 -0.000) 2.954 5.619 ( 0.000 2.882 0.000) 2.882 5.710 ( -0.000 -2.061 -0.000) 2.061 5.911 ( -0.000 -6.739 -0.000) 6.739 6.199 ( -0.000 -1.364 -0.000) 1.364 6.502 ( 0.000 11.626 0.000) 11.626 6.585 ( -0.000 -13.649 -0.000) 13.649 7.105 ( 0.000 3.960 0.000) 3.960 7.106 ( 0.000 7.336 0.000) 7.336 7.523 ( -0.000 -7.909 -0.000) 7.909 7.670 ( -0.000 -9.835 -0.000) 9.835 8.016 ( -0.000 -5.874 -0.000) 5.874 8.346 ( -0.000 -3.599 -0.000) 3.599 9.047 ( 0.000 2.885 0.000) 2.885 9.082 ( -0.000 -4.270 -0.000) 4.270 9.759 ( 0.000 2.564 0.000) 2.564 10.005 ( -0.000 -17.613 -0.000) 17.613 10.140 ( 0.000 1.084 0.000) 1.084 10.395 ( -0.000 -19.779 -0.000) 19.779 10.460 ( -0.000 -9.423 -0.000) 9.423 11.088 ( -0.000 -4.535 -0.000) 4.535 11.239 ( 0.000 0.686 0.000) 0.686 11.594 ( 0.000 12.712 0.000) 12.712 11.704 ( -0.000 -4.188 -0.000) 4.188 12.557 ( 0.000 4.522 0.000) 4.522 12.588 ( 0.000 6.774 0.000) 6.774 12.894 ( -0.000 -18.399 -0.000) 18.399 13.416 ( 0.000 4.534 0.000) 4.534 13.878 ( 0.000 6.661 0.000) 6.661 14.258 ( 0.000 14.084 0.000) 14.084 15.211 ( -0.000 -14.911 -0.000) 14.911 15.430 ( -0.000 -11.944 -0.000) 11.944 16.668 ( 0.000 17.868 0.000) 17.868 17.390 ( 0.000 27.863 0.000) 27.863 17.967 ( -0.000 -6.826 -0.000) 6.826 18.381 ( -0.000 -21.693 -0.000) 21.693 20.224 ( -0.000 -1.494 -0.000) 1.494 20.715 ( 0.000 9.398 0.000) 9.398 23.193 ( 0.000 1.160 0.000) 1.160 23.334 ( 0.000 1.064 0.000) 1.064 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 20.737 0.000 4.564) 21.234 1.795 ( 19.127 0.000 13.170) 23.222 2.454 ( -14.833 -0.000 -3.402) 15.218 2.562 ( -7.065 -0.000 -5.750) 9.109 3.046 ( 8.916 0.000 -11.604) 14.633 3.191 ( 11.780 0.000 -14.433) 18.630 3.252 ( -2.452 -0.000 5.892) 6.382 3.324 ( -5.145 -0.000 4.013) 6.525 3.532 ( -15.453 -0.000 12.225) 19.704 3.600 ( 7.628 0.000 3.269) 8.299 3.756 ( 2.716 0.000 -0.713) 2.808 3.947 ( -3.990 -0.000 -3.089) 5.046 4.022 ( -2.537 -0.000 -0.238) 2.548 4.126 ( 1.345 0.000 6.779) 6.911 4.140 ( -6.936 -0.000 -1.675) 7.135 4.322 ( 36.254 0.000 0.400) 36.256 4.491 ( 1.930 0.000 -3.735) 4.204 4.889 ( -1.257 -0.000 3.509) 3.727 5.194 ( 4.025 0.000 0.820) 4.107 5.275 ( 2.412 0.000 8.717) 9.044 5.426 ( -11.761 -0.000 -7.837) 14.133 5.580 ( -1.050 -0.000 -4.531) 4.651 5.635 ( -3.693 -0.000 2.314) 4.358 5.712 ( -11.562 -0.000 -13.466) 17.749 5.712 ( -3.223 -0.000 -1.103) 3.407 5.881 ( -1.828 -0.000 2.003) 2.712 6.101 ( -2.127 -0.000 3.560) 4.147 6.819 ( 0.298 0.000 0.680) 0.743 7.024 ( 3.243 0.000 -1.249) 3.475 7.355 ( 10.497 0.000 1.372) 10.587 7.371 ( 5.430 0.000 -3.586) 6.507 8.005 ( 1.573 0.000 7.961) 8.115 8.109 ( -9.616 -0.000 1.216) 9.693 8.641 ( 5.109 0.000 0.022) 5.109 9.232 ( -5.608 -0.000 -0.133) 5.610 9.293 ( -8.040 -0.000 0.897) 8.090 9.325 ( -8.671 -0.000 -8.485) 12.131 9.647 ( 0.808 0.000 -1.900) 2.065 10.176 ( -6.141 -0.000 0.201) 6.144 10.286 ( -1.723 -0.000 -1.738) 2.447 10.376 ( 1.976 0.000 0.561) 2.054 10.792 ( 1.576 0.000 -0.529) 1.662 11.275 ( 0.964 0.000 -0.136) 0.974 11.979 ( -0.810 -0.000 -1.318) 1.547 12.513 ( 6.378 0.000 -0.960) 6.450 12.803 ( 3.713 0.000 1.138) 3.884 13.224 ( -2.581 -0.000 0.970) 2.757 13.883 ( -1.502 -0.000 -1.102) 1.863 14.460 ( 3.205 0.000 0.150) 3.209 14.573 ( -2.039 -0.000 0.011) 2.039 14.941 ( -4.491 -0.000 -1.098) 4.624 15.490 ( 3.796 0.000 1.392) 4.043 16.314 ( -0.454 -0.000 1.315) 1.391 16.349 ( -0.640 -0.000 -1.285) 1.436 17.905 ( 12.440 0.000 1.520) 12.532 19.372 ( -5.536 -0.000 3.385) 6.488 20.195 ( -4.003 -0.000 1.187) 4.175 21.314 ( 2.397 0.000 -3.260) 4.047 23.282 ( 0.328 0.000 -0.789) 0.854 23.430 ( -0.179 -0.000 2.216) 2.224 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 13.029 -14.581 2.846) 19.760 1.988 ( 12.538 -4.236 8.831) 15.911 2.437 ( -10.780 -10.350 -1.976) 15.074 2.517 ( -8.137 -4.434 -6.075) 11.080 3.116 ( 7.194 -2.088 -8.585) 11.394 3.185 ( -1.391 5.571 1.265) 5.880 3.239 ( 1.184 0.567 3.878) 4.094 3.306 ( 2.764 -0.048 -7.480) 7.974 3.432 ( -7.136 2.888 6.036) 9.782 3.585 ( -0.163 5.018 3.412) 6.070 3.731 ( 5.022 5.060 0.826) 7.176 3.912 ( -8.447 1.187 -2.829) 8.987 4.023 ( 0.258 -0.434 -0.093) 0.514 4.057 ( -0.432 0.478 -0.798) 1.026 4.245 ( 0.137 -9.297 6.746) 11.487 4.513 ( 0.087 -1.045 -4.882) 4.994 4.630 ( 36.249 -1.227 1.186) 36.290 4.868 ( -0.872 1.972 1.927) 2.892 5.131 ( -17.301 4.044 4.173) 18.251 5.232 ( -6.281 0.228 2.012) 6.600 5.337 ( 0.061 4.810 -2.836) 5.585 5.518 ( -2.393 -0.367 -5.368) 5.889 5.643 ( -0.267 -0.498 -0.009) 0.566 5.737 ( -3.045 -8.332 -0.609) 8.892 5.831 ( 0.726 -14.959 -6.090) 16.168 5.965 ( 0.750 -4.814 1.389) 5.066 6.110 ( -3.214 -7.445 2.569) 8.507 6.855 ( -0.240 -4.130 0.525) 4.170 7.060 ( 1.847 -1.223 -0.571) 2.288 7.372 ( 3.126 0.141 -1.807) 3.614 7.535 ( 6.163 -9.283 0.997) 11.187 7.878 ( -1.975 11.673 0.611) 11.855 8.128 ( -2.686 -4.018 3.239) 5.818 8.800 ( 2.716 -13.530 0.259) 13.802 9.151 ( -5.666 1.542 1.033) 5.962 9.193 ( -3.068 4.722 -4.121) 6.978 9.403 ( -3.126 -13.684 0.308) 14.040 9.763 ( 0.980 -11.206 -1.828) 11.397 10.081 ( -0.923 9.202 1.080) 9.311 10.154 ( -2.965 1.014 -0.984) 3.284 10.629 ( 0.398 -17.184 0.815) 17.208 10.836 ( 0.192 -4.089 -1.225) 4.272 11.325 ( 0.565 -4.914 -0.189) 4.950 11.967 ( -0.285 0.610 -0.427) 0.797 12.497 ( 2.974 5.384 -0.527) 6.174 12.808 ( 2.218 2.416 0.625) 3.339 13.159 ( -1.809 5.623 0.399) 5.920 13.803 ( -0.505 7.237 -0.528) 7.274 14.475 ( 1.289 2.198 0.321) 2.568 14.584 ( -2.220 -2.227 -0.211) 3.151 14.848 ( -0.794 4.856 0.044) 4.921 15.408 ( 1.639 9.502 0.042) 9.642 16.455 ( -0.347 -14.446 -0.485) 14.458 16.552 ( -0.110 -21.328 0.195) 21.329 17.941 ( 6.857 4.768 0.619) 8.375 19.210 ( -3.256 14.900 1.539) 15.329 20.176 ( -1.846 -0.286 0.672) 1.985 21.266 ( 1.034 6.314 -1.443) 6.558 23.273 ( 0.115 1.053 -0.389) 1.129 23.422 ( -0.047 1.247 1.060) 1.637 ======================= Grid point 47 (30/172) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.000 -9.328 -0.000) 9.328 2.256 ( -0.000 -15.475 -0.000) 15.475 2.599 ( -0.000 -9.295 -0.000) 9.295 2.603 ( -0.000 -12.586 -0.000) 12.586 3.019 ( 0.000 9.755 0.000) 9.755 3.202 ( -0.000 -3.660 -0.000) 3.660 3.214 ( 0.000 5.980 0.000) 5.980 3.308 ( 0.000 7.535 0.000) 7.535 3.342 ( -0.000 -4.983 -0.000) 4.983 3.556 ( -0.000 -2.250 -0.000) 2.250 3.682 ( 0.000 4.388 0.000) 4.388 3.759 ( 0.000 8.417 0.000) 8.417 3.971 ( 0.000 5.772 0.000) 5.772 4.151 ( -0.000 -7.685 -0.000) 7.685 4.438 ( -0.000 -9.677 -0.000) 9.677 4.475 ( 0.000 3.239 0.000) 3.239 4.814 ( 0.000 4.301 0.000) 4.301 4.892 ( -0.000 -0.821 -0.000) 0.821 4.949 ( -0.000 -3.151 -0.000) 3.151 5.156 ( 0.000 5.560 0.000) 5.560 5.257 ( 0.000 2.498 0.000) 2.498 5.558 ( -0.000 -4.112 -0.000) 4.112 5.651 ( -0.000 -1.667 -0.000) 1.667 5.912 ( 0.000 6.137 0.000) 6.137 5.926 ( -0.000 -12.983 -0.000) 12.983 6.107 ( -0.000 -14.892 -0.000) 14.892 6.410 ( -0.000 -20.838 -0.000) 20.838 6.972 ( -0.000 -9.389 -0.000) 9.389 7.067 ( 0.000 0.747 0.000) 0.747 7.405 ( -0.000 -2.789 -0.000) 2.789 7.643 ( 0.000 13.123 0.000) 13.123 7.743 ( -0.000 -10.137 -0.000) 10.137 8.191 ( -0.000 -4.194 -0.000) 4.194 9.050 ( -0.000 -3.038 -0.000) 3.038 9.113 ( 0.000 0.785 0.000) 0.785 9.195 ( -0.000 -17.661 -0.000) 17.661 9.682 ( -0.000 -17.762 -0.000) 17.762 9.939 ( 0.000 5.884 0.000) 5.884 9.999 ( -0.000 -14.581 -0.000) 14.581 10.139 ( -0.000 -0.465 -0.000) 0.465 10.917 ( -0.000 -5.462 -0.000) 5.462 10.934 ( -0.000 -16.330 -0.000) 16.330 11.443 ( -0.000 -8.045 -0.000) 8.045 11.933 ( 0.000 4.308 0.000) 4.308 12.427 ( 0.000 1.451 0.000) 1.451 12.761 ( 0.000 3.935 0.000) 3.935 13.010 ( 0.000 10.179 0.000) 10.179 13.650 ( 0.000 9.347 0.000) 9.347 14.344 ( 0.000 12.837 0.000) 12.837 14.587 ( 0.000 1.922 0.000) 1.922 14.846 ( -0.000 -4.752 -0.000) 4.752 15.271 ( 0.000 5.031 0.000) 5.031 16.730 ( -0.000 -14.795 -0.000) 14.795 17.005 ( -0.000 -28.761 -0.000) 28.761 17.870 ( 0.000 5.375 0.000) 5.375 18.835 ( 0.000 25.900 0.000) 25.900 20.181 ( -0.000 -0.903 -0.000) 0.903 21.115 ( 0.000 10.834 0.000) 10.834 23.248 ( 0.000 1.674 0.000) 1.674 23.394 ( 0.000 1.945 0.000) 1.945 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.000 -0.000 -0.000) 0.000 2.028 ( -0.000 -0.000 -0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 -0.000) 0.000 3.367 ( -0.000 -0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.808 ( -0.000 -0.000 -0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 -0.000) 0.000 4.066 ( 0.000 0.000 -0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 -0.000) 0.000 4.887 ( -0.000 -0.000 -0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.503 ( -0.000 -0.000 -0.000) 0.001 5.504 ( 0.000 0.000 0.000) 0.001 5.554 ( 0.000 0.000 0.000) 0.000 5.629 ( -0.000 -0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 -0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 -0.000) 0.000 10.126 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.839 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.903 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 16.315 ( 0.000 0.000 -0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 0.000) 0.000 19.332 ( 0.000 0.000 0.000) 0.000 20.167 ( 0.000 0.000 -0.000) 0.000 21.325 ( 0.000 0.000 0.000) 0.000 23.282 ( 0.000 0.000 0.000) 0.000 23.434 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/172) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 7.295 0.000 25.642) 26.660 0.543 ( -1.838 -0.000 27.405) 27.467 1.052 ( 0.592 0.000 52.598) 52.602 2.696 ( 4.577 0.000 -13.562) 14.313 2.699 ( -0.816 -0.000 -14.670) 14.693 3.231 ( -4.346 -0.000 -1.595) 4.630 3.257 ( -2.009 -0.000 -0.933) 2.215 3.424 ( 3.464 0.000 -1.074) 3.626 3.503 ( -7.235 -0.000 3.691) 8.122 3.804 ( 6.957 0.000 2.727) 7.473 3.908 ( -3.648 -0.000 -4.602) 5.872 3.978 ( -3.000 -0.000 -2.220) 3.732 4.057 ( 2.198 0.000 4.162) 4.707 4.114 ( 6.050 0.000 -2.234) 6.449 4.320 ( -2.879 -0.000 3.953) 4.891 4.418 ( 1.707 0.000 -15.758) 15.850 4.624 ( -4.361 -0.000 -1.396) 4.579 4.725 ( 3.763 0.000 3.030) 4.832 5.003 ( -8.603 -0.000 1.844) 8.798 5.061 ( -5.789 -0.000 -0.427) 5.805 5.515 ( -1.526 -0.000 1.264) 1.982 5.605 ( -7.869 -0.000 0.369) 7.877 5.621 ( 3.412 0.000 -12.874) 13.319 5.736 ( -2.393 -0.000 -5.589) 6.080 6.076 ( 25.191 0.000 14.513) 29.073 6.366 ( 3.710 0.000 3.067) 4.814 6.486 ( 2.971 0.000 -8.260) 8.778 6.535 ( -11.934 -0.000 16.299) 20.201 6.725 ( 4.471 0.000 9.299) 10.318 6.901 ( -0.751 -0.000 -2.362) 2.478 7.310 ( -35.868 -0.000 1.502) 35.899 8.107 ( -0.345 -0.000 0.310) 0.464 8.578 ( -2.046 -0.000 -3.576) 4.120 8.781 ( 6.302 0.000 -3.907) 7.415 8.988 ( -17.864 -0.000 0.750) 17.880 9.171 ( -0.961 -0.000 -9.286) 9.336 9.632 ( 6.714 0.000 -2.080) 7.029 9.646 ( 0.927 0.000 0.389) 1.006 10.107 ( 3.294 0.000 -1.531) 3.633 10.328 ( 0.066 0.000 2.210) 2.211 10.631 ( -0.906 -0.000 -1.406) 1.673 10.697 ( -1.222 -0.000 -8.232) 8.322 11.295 ( -0.878 -0.000 4.318) 4.406 11.433 ( 22.038 0.000 5.714) 22.766 12.065 ( 7.645 0.000 -3.615) 8.456 12.384 ( -0.640 -0.000 6.586) 6.617 13.311 ( 0.026 0.000 -0.108) 0.112 14.263 ( -0.056 -0.000 -0.011) 0.057 14.677 ( 0.049 0.000 0.122) 0.131 14.687 ( -18.809 -0.000 2.719) 19.004 15.068 ( 2.209 0.000 3.039) 3.757 15.759 ( 22.047 0.000 -3.733) 22.360 16.320 ( 0.460 0.000 -2.019) 2.071 16.420 ( -0.376 -0.000 1.867) 1.904 16.753 ( 6.052 0.000 -10.465) 12.089 17.411 ( 66.169 0.000 9.035) 66.783 20.633 ( 2.446 0.000 1.424) 2.830 21.350 ( -18.445 -0.000 -3.898) 18.852 23.240 ( -0.608 -0.000 2.280) 2.359 24.685 ( -26.058 -0.000 0.412) 26.061 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 21.851 -13.379 19.027) 31.913 0.904 ( 8.096 -21.245 20.377) 30.531 1.535 ( 8.630 -33.679 33.217) 48.085 2.716 ( 1.854 -4.672 -14.675) 15.512 2.745 ( 9.091 -3.112 -11.729) 15.162 3.185 ( -3.619 -1.106 -3.888) 5.425 3.247 ( -5.685 -1.381 0.624) 5.883 3.401 ( 3.282 4.420 -2.369) 5.993 3.443 ( -7.751 0.178 4.673) 9.053 3.751 ( -8.546 6.582 -7.546) 13.164 3.876 ( -3.508 6.451 4.433) 8.577 3.919 ( 5.801 1.927 1.609) 6.321 4.056 ( -2.607 3.956 5.011) 6.896 4.119 ( 6.834 3.063 2.631) 7.938 4.309 ( -1.868 -2.718 -1.839) 3.776 4.341 ( -4.038 1.021 -6.124) 7.406 4.614 ( -2.491 -2.693 -0.759) 3.746 4.813 ( 3.987 -4.029 1.028) 5.761 4.853 ( -5.747 -1.515 -8.271) 10.185 4.994 ( -2.350 -1.147 -0.019) 2.615 5.392 ( -1.642 5.904 4.613) 7.670 5.560 ( 6.329 4.757 -1.830) 8.126 5.684 ( 4.545 0.340 3.508) 5.752 5.834 ( -3.483 -10.313 -5.472) 12.183 6.167 ( 9.896 3.295 -1.608) 10.553 6.369 ( -5.411 3.998 0.583) 6.753 6.485 ( -1.637 -5.960 0.769) 6.228 6.594 ( 0.568 -6.391 7.552) 9.910 6.851 ( 5.892 -6.845 9.969) 13.452 6.994 ( -3.515 -9.296 -1.786) 10.098 7.106 ( -6.564 -1.429 8.160) 10.570 8.062 ( -1.921 3.410 -0.375) 3.932 8.682 ( -0.284 2.422 -3.984) 4.671 8.935 ( -6.718 -6.517 0.460) 9.371 9.167 ( 6.298 -8.635 -7.407) 13.004 9.214 ( -0.748 -10.838 -11.030) 15.482 9.694 ( 0.156 -4.965 -0.395) 4.983 9.769 ( 1.184 -7.821 -5.424) 9.591 10.113 ( 1.754 -0.619 2.497) 3.114 10.533 ( -0.055 -4.113 -6.724) 7.883 10.714 ( -5.002 -6.406 -4.376) 9.231 10.807 ( 0.696 -25.362 -8.834) 26.865 11.336 ( -1.258 -4.385 4.451) 6.374 11.726 ( 13.774 -10.638 -10.210) 20.178 12.063 ( -2.462 3.527 -0.733) 4.363 12.418 ( 10.716 -1.084 -4.787) 11.786 13.279 ( -0.508 3.172 -0.313) 3.228 14.184 ( -7.960 14.174 10.563) 19.387 14.451 ( -8.736 0.989 1.900) 8.995 14.739 ( 0.622 -3.297 -0.184) 3.360 15.053 ( 3.881 11.396 8.183) 14.557 15.229 ( 1.524 12.628 7.855) 14.950 16.443 ( 2.088 -7.786 0.779) 8.099 16.610 ( -5.615 -3.106 -9.592) 11.541 16.977 ( 5.428 -6.377 -6.354) 10.512 18.482 ( 60.798 -35.761 -53.132) 88.308 20.610 ( 0.211 4.549 1.693) 4.859 21.099 ( -15.849 9.610 6.998) 19.812 23.239 ( 0.079 0.499 2.397) 2.450 24.101 ( -25.399 24.369 29.660) 46.029 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 18.615 -18.219 14.505) 29.813 1.385 ( 15.069 -19.008 15.216) 28.634 2.265 ( 5.099 -32.505 6.253) 33.491 2.813 ( 4.869 -6.777 -7.570) 11.267 2.912 ( 12.449 -8.676 -3.672) 15.612 3.196 ( -3.785 -1.685 -10.291) 11.094 3.218 ( -7.262 -3.132 1.826) 8.117 3.320 ( 1.962 5.374 -3.114) 6.513 3.403 ( -3.903 0.155 2.222) 4.494 3.566 ( -7.202 5.413 -2.433) 9.332 3.720 ( -3.412 9.160 4.859) 10.916 3.865 ( 2.801 6.092 4.515) 8.084 3.911 ( -3.473 8.589 2.296) 9.545 4.087 ( -1.273 5.789 5.686) 8.213 4.263 ( -5.534 -0.010 -6.596) 8.611 4.460 ( 0.540 -11.704 -1.004) 11.759 4.656 ( 4.188 -1.067 -2.658) 5.073 4.851 ( 0.597 -4.868 -11.215) 12.240 4.968 ( 6.647 -5.783 -1.242) 8.898 5.034 ( -3.934 -4.556 -0.632) 6.053 5.304 ( 0.640 4.276 3.095) 5.317 5.496 ( 3.418 7.646 2.863) 8.851 5.708 ( 3.406 0.810 7.970) 8.706 5.986 ( -2.190 -10.963 -7.158) 13.275 6.215 ( 7.748 -1.428 -6.648) 10.309 6.271 ( -2.557 3.155 -3.955) 5.669 6.501 ( -9.878 -2.319 6.363) 11.977 6.817 ( 7.277 -11.121 4.695) 14.096 7.032 ( -6.207 -3.146 6.560) 9.563 7.098 ( 4.076 -12.434 7.293) 14.980 7.251 ( 1.264 -12.181 -1.670) 12.360 7.974 ( -5.084 2.614 -1.020) 5.807 8.587 ( -4.176 5.214 5.156) 8.439 8.990 ( 6.474 0.060 -2.372) 6.895 9.254 ( 2.547 -3.313 -7.359) 8.463 9.435 ( -1.988 -16.203 -7.134) 17.815 9.781 ( -2.718 -2.858 1.585) 4.251 9.866 ( -4.305 -10.239 -7.374) 13.332 10.189 ( -1.264 -6.832 5.633) 8.945 10.521 ( -3.697 -0.011 -7.689) 8.532 10.830 ( -1.446 -9.790 2.974) 10.333 11.152 ( -3.685 -14.624 -5.551) 16.070 11.448 ( -0.547 -7.705 3.699) 8.564 11.890 ( 9.692 1.060 -1.401) 9.850 11.923 ( -1.679 6.703 3.563) 7.774 12.555 ( 7.832 -6.825 -15.027) 18.268 13.211 ( -1.883 2.421 -2.150) 3.746 13.833 ( -8.480 16.715 12.358) 22.451 14.466 ( 3.260 1.372 1.004) 3.676 14.603 ( -3.618 16.670 4.246) 17.578 15.069 ( -1.497 -13.027 2.913) 13.432 15.230 ( -4.271 -6.409 -1.872) 7.926 16.513 ( 11.746 4.194 -1.871) 12.611 16.667 ( 7.238 0.431 -2.701) 7.738 17.107 ( 2.861 -11.558 -2.848) 12.243 19.028 ( 15.619 -9.967 -41.234) 45.205 20.486 ( -5.022 7.320 1.658) 9.030 20.878 ( -1.961 9.326 5.573) 11.040 23.235 ( 0.305 0.808 2.777) 2.909 23.724 ( -11.942 11.697 22.867) 28.325 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 10.623 -20.151 11.530) 25.531 1.872 ( 21.460 -17.029 9.091) 28.865 2.651 ( 0.790 -11.878 -7.675) 14.164 2.974 ( 4.855 -5.565 -5.031) 8.937 3.061 ( -4.608 8.214 -5.294) 10.804 3.087 ( 1.744 -2.355 -4.311) 5.213 3.216 ( -3.890 2.172 -6.079) 7.537 3.316 ( -1.272 -4.527 -7.401) 8.769 3.426 ( -0.534 5.707 -0.361) 5.743 3.486 ( -2.025 1.200 10.189) 10.458 3.577 ( -0.363 -4.115 6.762) 7.924 3.742 ( -2.412 5.944 1.709) 6.639 3.874 ( 1.684 -5.134 6.311) 8.308 3.952 ( -4.512 6.262 5.368) 9.401 4.219 ( -2.166 -0.405 -5.374) 5.808 4.679 ( 1.805 -10.931 -0.727) 11.103 4.687 ( 4.454 0.411 -3.013) 5.393 4.942 ( 3.493 -1.927 -0.952) 4.102 5.046 ( -8.062 -5.670 -2.479) 10.163 5.093 ( 7.708 -0.925 -0.565) 7.784 5.291 ( 0.853 -1.516 -1.489) 2.290 5.380 ( 2.170 7.306 3.215) 8.272 5.768 ( 3.127 -2.922 5.644) 7.083 6.126 ( -0.376 -1.054 -6.697) 6.790 6.144 ( -3.903 -0.323 -4.778) 6.178 6.293 ( 7.488 1.314 -3.719) 8.463 6.519 ( -5.673 -6.681 5.721) 10.467 7.019 ( -5.928 -1.592 5.580) 8.296 7.061 ( 8.423 -6.531 2.816) 11.024 7.386 ( 2.184 -12.397 3.343) 13.024 7.469 ( 0.953 -13.135 -0.531) 13.180 7.910 ( -7.557 -2.002 -1.648) 7.990 8.481 ( -5.326 4.268 8.723) 11.076 9.033 ( 9.575 1.158 -3.693) 10.327 9.295 ( 0.168 -1.760 -4.541) 4.873 9.666 ( -1.777 -8.797 -6.438) 11.045 9.765 ( -4.472 -3.449 0.454) 5.666 10.048 ( 0.233 -12.504 -5.498) 13.661 10.349 ( -9.066 -13.608 3.781) 16.782 10.468 ( -1.041 0.160 -6.325) 6.412 11.010 ( -0.823 -9.164 5.357) 10.647 11.239 ( -4.059 -2.735 -7.558) 9.004 11.561 ( 3.553 -2.102 2.136) 4.648 11.744 ( 1.629 10.128 8.315) 13.205 12.063 ( 6.566 -10.049 3.091) 12.396 12.647 ( 2.712 -1.051 -8.137) 8.642 13.188 ( -5.082 -4.557 -6.233) 9.244 13.562 ( -4.358 11.285 9.103) 15.140 14.226 ( -3.509 20.979 2.158) 21.379 14.419 ( 1.832 9.116 3.547) 9.951 15.330 ( -12.576 -15.672 -0.130) 20.095 15.353 ( -0.742 -15.520 -2.918) 15.809 16.562 ( 15.409 6.807 -1.525) 16.915 16.598 ( 20.108 11.897 -2.737) 23.524 17.438 ( 0.432 -22.459 0.327) 22.466 19.028 ( -6.210 3.069 -22.690) 23.724 20.318 ( -5.028 7.011 0.524) 8.643 20.748 ( 4.933 8.040 -1.282) 9.519 23.229 ( 0.104 0.780 3.518) 3.604 23.545 ( -6.508 6.371 14.175) 16.848 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 7.314 -17.635 6.207) 20.075 2.338 ( 20.110 -15.167 5.693) 25.824 2.731 ( -3.529 2.996 -5.043) 6.846 2.804 ( -1.851 8.781 -3.958) 9.808 2.982 ( -7.240 6.810 -1.836) 10.108 3.114 ( -2.624 -0.430 -4.968) 5.635 3.187 ( 3.066 -4.204 -6.290) 8.164 3.285 ( -2.431 7.575 1.952) 8.192 3.356 ( 0.207 0.688 -2.420) 2.525 3.382 ( -2.211 -1.360 -4.227) 4.961 3.618 ( -0.279 2.309 1.644) 2.848 3.684 ( -1.121 1.475 1.816) 2.594 3.885 ( -2.927 -1.848 1.312) 3.702 4.163 ( 2.527 -7.820 3.337) 8.870 4.269 ( 5.740 -11.772 3.677) 13.603 4.649 ( 0.455 4.367 1.659) 4.694 4.820 ( -2.723 -0.616 6.559) 7.128 4.939 ( -0.232 3.810 7.067) 8.032 5.065 ( -3.542 -3.518 -3.741) 6.238 5.167 ( 2.784 -3.770 -2.764) 5.441 5.339 ( 2.086 -3.857 -4.016) 5.946 5.367 ( 6.316 -1.181 -1.400) 6.577 5.861 ( 2.877 -2.313 2.237) 4.317 5.945 ( -8.567 6.580 -4.252) 11.609 6.229 ( 3.509 -1.146 -2.758) 4.608 6.286 ( 2.927 1.377 -1.294) 3.485 6.652 ( 0.655 -8.247 3.635) 9.036 6.982 ( -5.857 0.820 4.791) 7.611 7.216 ( 8.474 -2.163 -1.390) 8.856 7.504 ( -5.524 -4.585 -2.134) 7.489 7.697 ( 3.711 -6.657 5.156) 9.201 7.948 ( -4.913 -8.429 -2.798) 10.150 8.401 ( -3.363 3.053 10.701) 11.625 9.086 ( 6.902 -0.724 -4.310) 8.169 9.299 ( 1.095 0.696 -2.666) 2.965 9.612 ( -10.865 1.534 -0.657) 10.992 9.895 ( 3.869 -5.897 -5.793) 9.127 10.222 ( 1.216 -5.310 0.024) 5.448 10.384 ( -5.653 -4.126 -10.562) 12.670 10.617 ( -0.755 -11.974 -0.664) 12.016 11.107 ( -2.622 -5.518 -1.921) 6.404 11.227 ( 2.294 4.755 2.530) 5.854 11.536 ( 5.823 6.652 4.494) 9.917 11.721 ( -2.371 -4.431 5.670) 7.577 12.312 ( 4.261 -10.504 4.065) 12.042 12.616 ( 0.405 3.011 -1.592) 3.429 13.226 ( -8.908 -5.710 -4.928) 11.673 13.424 ( -0.485 4.972 5.730) 7.602 13.873 ( -2.014 13.695 -1.433) 13.917 14.234 ( 1.669 13.652 3.455) 14.181 15.459 ( -8.184 -10.419 -2.667) 13.515 15.632 ( -6.269 -16.629 1.376) 17.824 16.380 ( 11.980 16.581 -1.891) 20.544 16.731 ( 20.147 -0.398 -4.274) 20.599 17.814 ( 2.814 -17.203 1.777) 17.522 18.799 ( -12.188 8.298 -10.775) 18.262 20.182 ( -1.869 5.120 -1.103) 5.561 20.671 ( 4.504 3.761 -5.331) 7.928 23.227 ( -0.387 0.325 4.538) 4.566 23.448 ( -3.924 3.327 8.944) 10.317 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -5.261 13.809 -4.418) 15.424 2.575 ( -1.678 4.342 -0.309) 4.665 2.642 ( -1.323 -3.119 3.870) 5.143 2.768 ( 3.655 -2.101 -6.433) 7.691 2.829 ( 6.271 -4.275 1.082) 7.666 3.099 ( -0.516 0.916 3.062) 3.237 3.153 ( -4.721 -1.954 -4.256) 6.650 3.277 ( 1.172 -0.051 0.416) 1.244 3.353 ( 2.454 -1.461 -2.717) 3.942 3.420 ( -0.411 -3.235 -4.244) 5.352 3.607 ( 1.189 -1.421 1.058) 2.133 3.680 ( 0.860 0.552 0.094) 1.027 3.940 ( 0.693 -4.851 -1.297) 5.069 4.192 ( 1.607 1.331 -6.279) 6.617 4.414 ( -0.048 6.118 5.030) 7.921 4.695 ( -4.354 -1.263 6.804) 8.176 4.745 ( -0.880 -0.697 6.732) 6.825 4.808 ( -3.402 5.104 12.007) 13.483 5.167 ( -4.285 -5.233 -4.749) 8.264 5.210 ( 5.459 -0.257 -1.225) 5.601 5.404 ( -0.498 -3.048 0.113) 3.091 5.464 ( 4.954 -3.006 -2.970) 6.511 5.757 ( -5.158 4.963 -5.184) 8.838 5.880 ( 1.484 3.671 -1.017) 4.088 6.237 ( 3.478 0.536 -2.019) 4.058 6.319 ( -1.507 -3.065 0.301) 3.429 6.792 ( 4.506 -3.146 5.141) 7.525 6.946 ( -4.755 -1.388 4.692) 6.823 7.238 ( -2.483 1.557 -4.960) 5.761 7.507 ( -0.380 0.347 -2.146) 2.207 7.765 ( 0.894 1.548 4.388) 4.738 8.015 ( -0.635 -0.353 -2.371) 2.480 8.386 ( 1.277 1.097 11.887) 12.005 9.135 ( -0.816 -2.575 -4.883) 5.580 9.290 ( 0.554 0.217 0.292) 0.662 9.511 ( -2.166 2.337 -3.107) 4.451 9.965 ( 2.834 -0.936 -5.806) 6.529 10.228 ( -2.824 1.596 0.537) 3.288 10.425 ( 3.785 -0.889 -12.047) 12.659 10.736 ( 2.030 -3.352 -8.400) 9.269 11.053 ( 7.693 18.288 6.040) 20.739 11.267 ( -4.159 -14.749 2.448) 15.519 11.525 ( -3.953 -1.015 5.864) 7.145 11.771 ( -2.426 -0.698 4.877) 5.492 12.434 ( 1.071 1.098 3.374) 3.706 12.591 ( -1.643 -0.296 1.026) 1.960 13.206 ( 1.667 5.143 -2.421) 5.924 13.364 ( -2.339 -3.859 3.299) 5.590 13.840 ( 0.096 -8.940 -3.911) 9.759 14.030 ( 0.843 9.942 3.128) 10.457 15.551 ( -0.891 -4.507 0.461) 4.617 15.740 ( 1.540 4.860 -0.998) 5.195 16.285 ( -2.578 -4.424 0.346) 5.132 16.817 ( 1.530 0.381 -6.356) 6.549 18.007 ( 2.688 1.251 1.638) 3.387 18.609 ( 0.796 2.092 -6.963) 7.314 20.112 ( 0.668 1.796 -2.316) 3.006 20.679 ( 1.579 -3.493 -5.395) 6.618 23.232 ( -1.188 -0.276 5.136) 5.279 23.407 ( -2.227 0.637 7.047) 7.418 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -7.524 21.017 -1.871) 22.402 2.207 ( -18.517 18.676 1.063) 26.321 2.715 ( 1.273 -1.492 -4.135) 4.577 2.835 ( 5.308 -3.920 -6.657) 9.373 3.021 ( 4.745 -2.935 -0.329) 5.589 3.147 ( -4.615 -1.426 -0.122) 4.832 3.205 ( 4.211 -9.645 -0.443) 10.534 3.315 ( 4.008 -4.230 0.343) 5.837 3.409 ( 3.032 0.216 -1.284) 3.300 3.429 ( 2.911 -0.693 -3.031) 4.259 3.610 ( 1.778 7.310 -0.294) 7.529 3.724 ( -2.063 -8.054 6.218) 10.382 4.007 ( -1.599 0.605 -0.025) 1.710 4.058 ( -2.991 11.379 4.208) 12.495 4.341 ( 0.676 -1.930 -7.515) 7.789 4.576 ( -3.830 3.191 4.497) 6.714 4.668 ( -0.709 7.274 7.013) 10.129 4.921 ( -3.053 -3.965 5.104) 7.148 5.146 ( -2.392 0.627 -0.412) 2.507 5.220 ( 4.261 4.253 -1.363) 6.173 5.446 ( -5.609 -0.409 3.611) 6.684 5.467 ( -3.189 -1.239 0.444) 3.450 5.660 ( -1.373 4.453 -5.409) 7.140 5.871 ( 6.609 -3.041 -5.663) 9.220 6.245 ( -1.455 0.012 -0.517) 1.544 6.342 ( 0.342 0.166 -2.420) 2.449 6.835 ( 0.985 1.348 8.290) 8.456 6.987 ( -1.101 -2.618 5.136) 5.869 7.140 ( -9.108 1.819 -1.450) 9.401 7.441 ( 1.926 8.806 -5.810) 10.725 7.679 ( 0.250 8.893 1.812) 9.079 7.978 ( 4.270 4.495 1.815) 6.460 8.403 ( 1.389 1.123 9.095) 9.269 9.131 ( -5.468 -1.451 -3.843) 6.839 9.273 ( -5.871 0.097 -1.188) 5.991 9.540 ( 13.654 -1.219 -2.546) 13.943 9.953 ( 2.171 3.268 -3.899) 5.531 10.166 ( -1.067 3.222 -2.563) 4.253 10.349 ( 2.306 9.852 -12.002) 15.698 10.730 ( 8.877 8.629 -4.173) 13.064 10.861 ( 6.748 8.606 3.831) 11.588 11.434 ( -8.183 -5.971 1.877) 10.302 11.583 ( -4.646 -11.669 5.601) 13.752 11.712 ( -3.316 6.063 5.888) 9.079 12.272 ( -5.692 14.553 3.800) 16.082 12.619 ( 0.421 -3.451 -1.974) 3.998 13.157 ( 7.130 1.931 -3.312) 8.096 13.536 ( 3.479 -8.889 4.621) 10.605 13.904 ( -0.446 -3.150 0.034) 3.181 14.107 ( -0.292 -14.658 -0.275) 14.663 15.525 ( 9.808 18.336 -1.254) 20.832 15.604 ( 4.022 4.202 1.461) 5.997 16.433 ( -14.250 -16.753 -0.450) 21.999 16.725 ( -19.860 -1.796 -4.575) 20.460 17.823 ( 0.543 18.360 3.342) 18.670 18.699 ( 19.813 -1.451 -15.332) 25.094 20.130 ( 2.480 -3.279 -2.116) 4.624 20.786 ( -1.969 -9.619 -2.609) 10.160 23.238 ( -2.124 -0.558 4.315) 4.842 23.427 ( -1.020 -2.435 9.248) 9.617 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -8.606 22.329 2.475) 24.058 1.709 ( -21.185 20.698 4.081) 29.898 2.717 ( 1.630 1.111 -10.129) 10.320 2.923 ( -0.712 5.974 -2.786) 6.630 2.984 ( -0.023 13.533 1.314) 13.596 3.050 ( -1.802 -3.402 -2.455) 4.566 3.318 ( 5.507 7.656 -4.384) 10.400 3.426 ( 1.739 -10.195 2.881) 10.736 3.459 ( -3.404 -4.434 1.812) 5.876 3.504 ( 4.357 1.696 -2.443) 5.275 3.541 ( 5.127 -7.147 -1.539) 8.929 3.737 ( -1.564 4.760 7.790) 9.262 3.945 ( -0.547 -6.114 4.199) 7.437 3.994 ( -6.730 1.764 6.897) 9.796 4.419 ( 1.128 -6.747 -10.343) 12.401 4.507 ( 2.465 7.764 4.887) 9.500 4.579 ( 1.555 3.814 -3.815) 5.614 4.893 ( -3.000 0.835 2.280) 3.860 5.055 ( -3.166 6.694 -3.351) 8.127 5.216 ( 4.350 2.076 1.719) 5.117 5.345 ( -5.876 3.355 0.773) 6.810 5.507 ( -8.906 -4.656 3.347) 10.592 5.567 ( -0.940 2.248 1.568) 2.898 5.999 ( 6.318 -3.856 -7.166) 10.302 6.214 ( 0.502 1.229 -0.720) 1.511 6.304 ( -0.169 2.881 -6.932) 7.508 6.812 ( -3.364 3.342 11.855) 12.769 6.949 ( -6.976 3.980 0.897) 8.081 7.102 ( 0.456 1.444 7.625) 7.774 7.189 ( -2.100 15.428 -2.952) 15.847 7.511 ( 0.487 10.774 -2.116) 10.990 7.952 ( 6.895 3.961 2.820) 8.437 8.431 ( 0.077 -2.457 5.264) 5.810 9.083 ( -6.452 0.968 -1.707) 6.744 9.234 ( -0.208 -0.368 -6.280) 6.294 9.682 ( 11.221 -2.057 0.569) 11.422 9.866 ( -0.333 6.802 -4.747) 8.301 10.049 ( 2.814 14.244 -0.208) 14.521 10.147 ( 4.455 7.161 -5.789) 10.230 10.636 ( 7.768 7.217 -8.604) 13.655 10.814 ( 4.829 4.557 6.356) 9.191 11.460 ( -4.865 -2.649 -4.193) 6.948 11.544 ( -4.455 9.302 4.403) 11.214 11.742 ( 1.566 0.358 9.333) 9.470 12.018 ( -11.922 0.313 2.473) 12.180 12.655 ( 1.501 0.204 -8.258) 8.396 13.199 ( 6.193 -0.540 -5.057) 8.014 13.671 ( 1.801 -4.934 10.807) 12.016 14.109 ( 3.273 -16.149 -1.187) 16.520 14.349 ( -0.910 -12.183 1.443) 12.302 15.250 ( 7.159 18.635 -2.062) 20.070 15.505 ( 4.220 12.504 1.524) 13.284 16.555 ( -14.114 -8.870 -2.975) 16.933 16.661 ( -25.331 -14.390 -0.090) 29.133 17.476 ( 1.199 21.851 3.848) 22.219 18.782 ( 26.984 9.063 -31.504) 42.459 20.253 ( 4.089 -7.691 -0.477) 8.724 20.953 ( -5.637 -12.797 1.513) 14.065 23.239 ( -2.495 -0.699 3.096) 4.037 23.522 ( -0.765 -6.358 15.425) 16.702 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -11.513 21.014 8.542) 25.438 1.196 ( -18.590 21.306 10.138) 30.038 2.252 ( -11.155 43.392 10.815) 46.090 2.737 ( 1.159 0.922 -8.828) 8.951 2.896 ( -4.448 2.521 -9.804) 11.057 3.202 ( 7.941 -5.858 -1.296) 9.953 3.248 ( 3.875 2.264 -3.210) 5.517 3.413 ( -6.630 2.777 4.215) 8.333 3.531 ( -2.065 -3.958 -1.841) 4.829 3.639 ( 3.113 -8.265 2.828) 9.274 3.698 ( 6.292 -5.872 -1.446) 8.727 3.803 ( 4.637 -6.450 4.126) 8.952 3.940 ( -5.722 -1.468 1.064) 6.002 4.038 ( -1.968 -2.758 6.686) 7.495 4.375 ( 4.534 9.426 1.718) 10.599 4.464 ( -2.449 2.880 -5.160) 6.397 4.549 ( 5.912 -1.573 -4.801) 7.777 4.902 ( -4.852 4.698 -0.289) 6.760 4.921 ( 1.081 -2.456 -5.581) 6.192 5.122 ( 1.618 9.312 -4.229) 10.354 5.316 ( -3.526 -3.125 4.592) 6.579 5.519 ( -6.270 -4.366 3.455) 8.385 5.576 ( -4.090 -2.663 5.729) 7.527 5.986 ( 4.024 7.112 -3.437) 8.864 6.212 ( -1.786 4.300 -10.014) 11.044 6.276 ( 5.066 -5.131 -5.576) 9.115 6.697 ( 0.173 13.233 10.238) 16.732 6.781 ( -8.205 7.021 3.270) 11.283 6.889 ( -2.726 10.320 3.874) 11.355 7.148 ( -1.213 0.962 7.831) 7.983 7.308 ( -4.573 8.526 0.363) 9.681 7.970 ( 7.640 0.799 0.422) 7.693 8.518 ( 1.190 -5.736 1.475) 6.041 9.005 ( -1.611 3.242 -2.633) 4.477 9.240 ( -0.390 -1.149 -7.266) 7.367 9.672 ( -6.433 8.236 -9.363) 14.031 9.736 ( 4.610 4.127 1.145) 6.292 9.872 ( 8.823 10.976 10.023) 17.285 10.102 ( 2.967 1.907 -5.118) 6.216 10.570 ( 4.227 2.899 -8.660) 10.063 10.802 ( 3.470 2.708 4.982) 6.648 11.250 ( -0.451 16.935 -2.390) 17.109 11.451 ( -2.577 5.890 2.230) 6.804 11.701 ( 1.762 0.115 -0.035) 1.766 12.107 ( -11.827 -12.473 5.771) 18.132 12.550 ( 2.571 10.926 -22.262) 24.931 13.240 ( 2.375 -1.657 -3.334) 4.416 13.862 ( 1.882 -12.719 17.140) 21.427 14.403 ( 0.867 -13.419 -1.733) 13.559 14.500 ( 4.661 -3.909 3.185) 6.867 15.013 ( 3.423 12.395 0.111) 12.859 15.287 ( -2.967 11.244 0.715) 11.651 16.550 ( -7.424 0.185 1.078) 7.504 16.738 ( -16.967 -12.301 -4.647) 21.466 17.164 ( -1.404 12.488 3.619) 13.077 18.596 ( 29.313 29.679 -52.310) 66.906 20.429 ( 4.457 -7.813 0.244) 8.998 21.145 ( -8.840 -14.980 4.774) 18.037 23.238 ( -2.249 -0.691 2.504) 3.436 23.731 ( -1.102 -14.522 26.517) 30.253 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -16.173 15.715 15.708) 27.482 0.772 ( -6.065 19.645 21.854) 30.005 1.418 ( -13.019 41.613 29.805) 52.816 2.709 ( 2.264 0.997 -12.971) 13.205 2.788 ( -2.532 3.552 -11.931) 12.703 3.221 ( 0.930 -0.506 -2.995) 3.177 3.318 ( -3.787 2.387 2.586) 5.170 3.366 ( 3.247 -3.248 -2.968) 5.468 3.544 ( -7.277 -1.098 4.312) 8.529 3.775 ( 7.959 -2.053 4.584) 9.412 3.862 ( 3.771 -5.619 -1.909) 7.031 3.933 ( -7.643 -6.109 -3.978) 10.562 3.968 ( 9.403 -2.372 3.635) 10.356 4.072 ( -1.524 -2.825 5.051) 5.984 4.302 ( 2.047 1.381 3.678) 4.430 4.398 ( 2.046 1.270 -6.896) 7.305 4.611 ( 4.784 -1.055 -2.176) 5.360 4.786 ( -3.861 4.633 1.617) 6.244 4.928 ( 3.730 0.705 -7.095) 8.046 5.027 ( -2.492 -0.300 0.952) 2.684 5.386 ( -0.598 -5.531 4.040) 6.876 5.578 ( -5.744 -6.409 1.246) 8.696 5.610 ( -1.995 -3.128 3.514) 5.110 5.862 ( 4.861 9.634 -0.782) 10.819 6.087 ( -2.064 5.366 -11.168) 12.561 6.393 ( 4.058 -4.515 -3.697) 7.107 6.465 ( 1.569 11.574 2.670) 11.981 6.647 ( -8.883 4.133 11.215) 14.892 6.749 ( -0.206 6.205 6.956) 9.324 7.018 ( -0.686 10.164 -0.922) 10.229 7.269 ( -14.226 -9.404 10.273) 19.908 8.041 ( 6.292 -2.119 -0.631) 6.669 8.630 ( 5.332 -3.556 -4.372) 7.758 8.935 ( 7.781 7.546 -2.640) 11.156 9.200 ( -3.875 1.552 -8.135) 9.143 9.502 ( -22.352 -0.694 -10.474) 24.694 9.672 ( 4.812 6.213 2.128) 8.142 9.757 ( -4.214 9.018 1.551) 10.074 10.087 ( 1.558 0.675 -3.157) 3.584 10.562 ( 1.147 0.028 -8.152) 8.232 10.761 ( 0.678 5.635 -1.378) 5.840 10.916 ( -7.079 20.646 -13.865) 25.858 11.336 ( -1.126 4.999 4.631) 6.907 11.608 ( 5.235 22.511 -15.394) 27.769 12.076 ( 1.455 9.152 -10.712) 14.164 12.360 ( -2.676 -1.262 -1.362) 3.257 13.284 ( 0.266 -2.541 -0.596) 2.623 14.199 ( 0.409 -13.398 13.165) 18.788 14.542 ( 7.209 -9.855 4.491) 13.010 14.668 ( 4.441 -6.792 1.659) 8.283 14.923 ( 7.560 -1.621 13.080) 15.194 15.128 ( -6.627 2.000 3.280) 7.660 16.424 ( 0.225 8.720 0.026) 8.723 16.773 ( -8.308 -4.421 -9.101) 13.092 17.069 ( -6.211 -1.013 0.241) 6.298 17.833 ( 33.974 75.144 -56.672) 100.063 20.570 ( 3.386 -4.382 0.443) 5.555 21.336 ( -12.187 -14.122 0.454) 18.659 23.239 ( -1.531 -0.448 2.328) 2.822 24.211 ( -1.463 -35.660 33.288) 48.805 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 12.377 0.000 23.139) 26.242 0.967 ( 24.170 0.000 23.055) 33.402 1.498 ( 27.153 0.000 35.277) 44.517 2.635 ( 2.033 0.000 -16.663) 16.786 2.783 ( 13.629 0.000 -9.679) 16.716 3.132 ( -7.627 -0.000 -0.849) 7.674 3.187 ( -4.939 -0.000 -5.757) 7.585 3.389 ( -7.271 -0.000 6.534) 9.775 3.508 ( 5.441 0.000 -3.000) 6.213 3.740 ( -10.297 -0.000 -7.456) 12.713 3.894 ( -6.735 -0.000 5.338) 8.594 3.917 ( 6.526 0.000 -0.472) 6.543 4.083 ( -2.775 -0.000 7.582) 8.074 4.215 ( 3.293 0.000 -1.891) 3.797 4.294 ( -3.010 -0.000 3.591) 4.686 4.313 ( -3.346 -0.000 -6.902) 7.670 4.510 ( -7.167 -0.000 1.221) 7.270 4.753 ( -7.313 -0.000 -7.092) 10.187 4.843 ( 8.174 0.000 0.540) 8.192 4.966 ( -2.608 -0.000 -0.215) 2.617 5.441 ( -2.544 -0.000 6.371) 6.860 5.591 ( -0.164 -0.000 -13.312) 13.313 5.694 ( 0.942 0.000 -4.656) 4.750 5.786 ( 11.573 0.000 3.753) 12.167 6.305 ( -14.322 -0.000 12.552) 19.043 6.319 ( -1.904 -0.000 0.845) 2.083 6.450 ( -3.238 -0.000 -7.001) 7.714 6.548 ( 5.925 0.000 5.337) 7.974 6.853 ( 5.242 0.000 5.649) 7.707 6.904 ( 2.849 0.000 1.261) 3.116 7.064 ( -1.884 -0.000 5.374) 5.695 8.092 ( -1.198 -0.000 1.456) 1.885 8.515 ( -3.553 -0.000 -3.968) 5.326 8.770 ( -5.898 -0.000 -0.401) 5.911 9.184 ( 8.079 0.000 -11.157) 13.775 9.208 ( 15.236 0.000 -5.593) 16.230 9.660 ( 0.233 0.000 0.037) 0.236 9.702 ( 3.271 0.000 -8.028) 8.669 10.198 ( 9.020 0.000 -4.113) 9.913 10.333 ( -0.741 -0.000 2.630) 2.732 10.580 ( -7.811 -0.000 -8.472) 11.523 10.634 ( 2.187 0.000 -2.184) 3.090 11.300 ( -1.120 -0.000 4.509) 4.646 11.736 ( 18.306 0.000 -9.255) 20.512 12.078 ( -1.874 -0.000 -1.552) 2.433 12.508 ( 10.245 0.000 1.003) 10.294 13.309 ( -0.321 -0.000 -0.090) 0.333 14.282 ( 2.416 0.000 0.017) 2.416 14.363 ( -21.631 -0.000 13.360) 25.424 14.669 ( -1.116 -0.000 0.141) 1.125 15.184 ( 7.613 0.000 1.902) 7.846 15.510 ( -23.061 -0.000 -2.809) 23.232 16.314 ( 0.076 0.000 -1.953) 1.954 16.418 ( -0.985 -0.000 1.799) 2.051 17.021 ( 20.613 0.000 -4.827) 21.171 18.618 ( 70.016 0.000 -51.641) 87.000 20.644 ( -4.630 -0.000 2.199) 5.126 21.086 ( -10.698 -0.000 8.256) 13.513 23.252 ( 0.740 0.000 2.295) 2.412 24.139 ( -37.069 -0.000 27.400) 46.097 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 13.887 -20.495 15.920) 29.433 1.297 ( 20.974 -11.651 20.267) 31.407 1.938 ( 24.738 -16.490 16.102) 33.811 2.696 ( 4.214 -7.467 -14.074) 16.480 2.914 ( 14.934 -3.071 -2.451) 15.442 3.072 ( -7.521 -1.784 -5.363) 9.408 3.151 ( -3.489 -1.784 -5.027) 6.374 3.356 ( -5.649 -0.135 5.942) 8.200 3.452 ( 3.653 6.789 -0.770) 7.748 3.602 ( -6.116 4.961 -4.144) 8.899 3.809 ( -7.072 4.828 5.222) 10.029 3.982 ( 1.127 2.744 -1.899) 3.522 4.041 ( -2.607 5.857 7.273) 9.696 4.164 ( -4.051 1.244 0.022) 4.238 4.255 ( -0.328 4.476 1.002) 4.599 4.286 ( -1.744 -5.469 -0.869) 5.806 4.574 ( -2.477 -8.636 0.126) 8.985 4.738 ( 2.321 -3.308 -15.921) 16.426 4.928 ( 4.985 -1.954 -1.122) 5.471 4.978 ( 3.057 -2.994 -0.542) 4.313 5.395 ( -0.289 4.130 3.950) 5.722 5.632 ( 3.422 -0.986 -7.236) 8.065 5.686 ( -1.415 -3.010 -2.905) 4.416 5.870 ( 5.151 0.101 6.621) 8.390 6.182 ( -8.349 0.302 7.211) 11.036 6.283 ( -4.777 0.880 -3.689) 6.099 6.407 ( -7.528 -2.315 0.328) 7.882 6.696 ( 6.301 -8.713 2.563) 11.054 6.929 ( -1.058 -4.110 -1.609) 4.539 7.006 ( 7.253 -5.735 8.343) 12.454 7.117 ( 2.932 -5.069 0.883) 5.922 8.020 ( -3.219 5.894 1.936) 6.989 8.574 ( -8.366 -3.147 -2.662) 9.326 8.843 ( -6.365 -15.680 3.427) 17.266 9.221 ( 4.064 0.260 -8.802) 9.699 9.285 ( 9.983 -1.578 -6.765) 12.163 9.692 ( 0.374 -4.772 -3.549) 5.959 9.714 ( -5.541 -1.954 -1.676) 6.110 10.139 ( -0.453 2.101 3.083) 3.758 10.461 ( -5.842 -0.929 -7.775) 9.769 10.638 ( -1.262 -12.802 -1.367) 12.937 10.797 ( 0.812 -18.090 -4.741) 18.718 11.338 ( -1.097 -4.318 4.725) 6.494 11.891 ( 11.130 -4.408 -11.361) 16.504 12.036 ( 2.018 3.613 0.200) 4.143 12.567 ( 9.296 1.385 -3.238) 9.940 13.267 ( -0.978 4.008 -0.070) 4.126 14.070 ( -11.402 14.599 12.313) 22.243 14.400 ( 0.253 -6.813 0.980) 6.888 14.725 ( -1.676 -4.942 -0.986) 5.311 15.084 ( -10.932 18.553 2.478) 21.676 15.206 ( 5.059 3.305 0.099) 6.044 16.473 ( 0.403 -14.123 -0.744) 14.148 16.542 ( 0.405 -9.782 -2.648) 10.142 17.154 ( 17.303 2.260 -3.391) 17.776 18.979 ( 30.777 -3.378 -45.639) 55.150 20.541 ( -10.027 4.824 3.433) 11.645 21.018 ( 1.384 5.204 6.228) 8.233 23.259 ( 0.932 0.634 2.503) 2.745 23.851 ( -20.598 9.510 26.198) 34.656 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 13.610 -16.199 14.461) 25.628 1.773 ( 20.296 -17.909 11.651) 29.469 2.404 ( 11.507 -16.324 -5.194) 20.637 2.861 ( 4.887 -8.741 -6.818) 12.115 3.004 ( -2.870 -3.278 -8.914) 9.922 3.075 ( -7.562 -5.432 -4.777) 10.465 3.196 ( 6.162 4.363 -1.433) 7.685 3.364 ( 1.853 6.409 -2.710) 7.201 3.388 ( 3.174 -8.164 11.605) 14.540 3.482 ( -0.636 2.748 -0.591) 2.882 3.653 ( -6.579 7.491 6.383) 11.838 3.853 ( -3.376 6.915 1.617) 7.863 3.925 ( 1.268 6.633 2.075) 7.065 4.092 ( -1.201 8.423 6.942) 10.981 4.164 ( -4.332 0.088 -2.558) 5.032 4.458 ( 0.566 -12.481 -1.956) 12.646 4.698 ( 1.382 -5.637 -2.070) 6.162 4.828 ( 2.449 -7.937 -13.746) 16.061 4.949 ( -0.709 0.099 -0.649) 0.966 5.104 ( 6.663 -4.497 -1.254) 8.136 5.342 ( 3.164 3.595 3.607) 5.995 5.549 ( 1.462 8.742 0.604) 8.884 5.763 ( 0.129 -2.808 3.448) 4.449 5.959 ( 0.910 -8.365 -0.947) 8.468 6.169 ( -9.126 4.488 -4.808) 11.249 6.245 ( -2.087 -9.280 1.189) 9.586 6.429 ( -1.369 -2.989 2.857) 4.356 6.933 ( 4.580 -12.286 1.539) 13.202 6.960 ( -3.147 -2.116 0.972) 3.915 7.240 ( 3.368 -12.813 -1.301) 13.312 7.266 ( 7.745 -7.220 3.697) 11.215 7.879 ( -6.666 5.354 0.767) 8.584 8.511 ( -7.271 1.913 6.412) 9.881 9.072 ( 2.540 -6.592 -1.504) 7.223 9.232 ( -1.164 -4.579 -5.847) 7.517 9.439 ( 6.296 -11.286 -4.502) 13.685 9.668 ( -10.739 -0.757 2.174) 10.983 9.818 ( 0.646 -10.213 -7.088) 12.448 10.150 ( -5.804 -4.503 3.095) 7.971 10.413 ( -4.829 -1.816 -6.667) 8.430 10.843 ( 1.001 -10.884 3.827) 11.581 11.055 ( -5.113 -12.534 -5.899) 14.766 11.451 ( -1.136 -7.832 4.459) 9.083 11.931 ( 0.324 3.313 3.059) 4.521 12.051 ( 11.837 0.157 -4.611) 12.705 12.610 ( 5.781 -1.233 -7.895) 9.862 13.167 ( -2.818 5.043 -0.884) 5.844 13.770 ( -5.852 14.003 10.155) 18.261 14.480 ( -4.545 3.661 2.574) 6.379 14.584 ( 2.558 13.450 -1.008) 13.728 14.991 ( -8.802 -11.789 1.799) 14.822 15.194 ( 1.676 -1.534 -2.895) 3.681 16.698 ( 7.786 -4.724 -1.964) 9.316 16.759 ( 7.736 -12.017 0.170) 14.293 17.227 ( 13.818 -0.657 -3.149) 14.187 19.000 ( 2.628 4.722 -29.124) 29.621 20.380 ( -7.990 5.445 2.162) 9.908 20.938 ( 5.259 8.468 1.245) 10.045 23.257 ( 0.681 1.056 3.132) 3.375 23.637 ( -10.474 7.231 17.967) 22.018 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 11.212 -16.115 9.322) 21.732 2.247 ( 18.978 -15.943 7.770) 25.975 2.638 ( 1.815 -7.365 -8.982) 11.757 2.947 ( -3.907 0.879 -6.155) 7.343 2.991 ( -0.028 5.576 -2.428) 6.081 3.091 ( -4.642 -1.656 -10.014) 11.161 3.137 ( 5.504 -2.243 -7.960) 9.934 3.241 ( -6.826 0.954 -2.321) 7.273 3.391 ( -3.136 4.036 -0.190) 5.114 3.472 ( -1.615 5.736 8.612) 10.473 3.658 ( 1.312 1.680 4.179) 4.691 3.746 ( 1.841 4.067 4.250) 6.164 3.907 ( -0.700 6.349 1.328) 6.524 4.011 ( 9.960 -10.910 11.806) 18.911 4.183 ( -0.436 -4.025 -1.543) 4.332 4.676 ( 0.386 -11.239 -2.853) 11.602 4.760 ( 3.468 3.435 1.061) 4.995 4.865 ( -11.572 -5.839 -0.447) 12.970 5.006 ( 4.602 -2.932 -4.167) 6.866 5.170 ( 0.745 -0.395 -2.569) 2.704 5.343 ( 6.623 2.521 1.715) 7.291 5.442 ( 4.259 3.404 0.875) 5.521 5.817 ( -0.110 -3.190 3.325) 4.609 5.974 ( -11.909 6.063 -3.103) 13.720 6.124 ( 0.668 -8.434 -2.168) 8.734 6.400 ( 7.293 -1.611 -4.702) 8.826 6.492 ( -2.050 -7.329 7.447) 10.648 6.962 ( -1.776 -0.229 1.095) 2.099 7.183 ( 5.220 -10.819 -0.816) 12.040 7.362 ( -3.067 -4.694 -4.025) 6.902 7.574 ( 9.245 -14.308 4.478) 17.614 7.772 ( -8.866 -1.441 -0.141) 8.984 8.447 ( -4.077 2.188 11.001) 11.934 9.092 ( -1.774 0.140 -6.831) 7.059 9.325 ( 7.693 -1.862 -3.242) 8.554 9.540 ( -11.439 0.209 2.259) 11.662 9.767 ( 5.164 -13.234 -3.396) 14.606 10.026 ( -0.755 -16.029 -5.021) 16.814 10.181 ( -9.871 -5.104 0.523) 11.125 10.450 ( -1.145 -6.804 -4.740) 8.371 10.997 ( -1.959 -5.174 -3.125) 6.354 11.177 ( -1.111 -7.900 1.110) 8.055 11.589 ( -0.317 -7.427 3.696) 8.302 11.824 ( 2.369 11.467 7.207) 13.749 12.197 ( 9.499 -7.961 -0.599) 12.408 12.644 ( 1.138 -0.166 -5.453) 5.573 13.070 ( -6.743 0.213 -3.216) 7.474 13.554 ( -2.084 9.400 7.717) 12.340 14.155 ( -4.990 19.091 -0.044) 19.732 14.479 ( 3.144 10.645 2.466) 11.370 15.145 ( -9.943 -14.087 -1.166) 17.282 15.322 ( -1.819 -12.548 -1.596) 12.779 16.740 ( 8.908 9.929 -0.076) 13.339 16.941 ( 22.146 1.742 -4.274) 22.622 17.499 ( 7.109 -19.952 1.032) 21.206 18.785 ( -12.170 7.768 -16.416) 21.861 20.250 ( -3.492 4.495 -0.039) 5.692 20.815 ( 4.167 9.288 -2.901) 10.585 23.249 ( 0.135 1.076 4.171) 4.309 23.504 ( -5.963 4.778 11.193) 13.553 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 6.239 -10.940 1.705) 12.709 2.620 ( 5.943 -4.103 3.580) 8.061 2.678 ( 4.430 -1.416 -3.098) 5.588 2.762 ( -1.484 6.235 -2.760) 6.978 2.864 ( -5.366 8.236 -0.303) 9.835 3.054 ( -1.367 -3.027 -3.906) 5.128 3.157 ( -2.364 1.779 -6.388) 7.040 3.266 ( 0.433 -1.771 -0.365) 1.859 3.324 ( 1.194 -2.701 -7.722) 8.267 3.429 ( 5.081 4.593 3.857) 7.860 3.588 ( -3.486 0.905 -1.916) 4.080 3.719 ( 2.780 2.695 5.010) 6.332 3.864 ( -0.198 -3.118 0.111) 3.126 4.218 ( 4.138 -0.917 -2.348) 4.846 4.410 ( 7.371 -12.752 10.890) 18.318 4.619 ( -6.359 4.707 1.836) 8.122 4.796 ( -4.197 -1.461 7.746) 8.930 4.916 ( -5.721 8.868 2.992) 10.969 4.985 ( 0.321 -9.822 -4.178) 10.679 5.218 ( 1.535 -2.771 0.916) 3.297 5.356 ( 1.756 -0.523 -5.336) 5.642 5.487 ( 8.208 -0.431 0.117) 8.220 5.769 ( -10.159 3.773 -3.419) 11.364 5.897 ( 0.919 -2.244 0.419) 2.461 6.235 ( -0.755 -4.935 0.472) 5.014 6.364 ( 6.601 7.965 -3.525) 10.929 6.688 ( -0.664 -11.732 7.451) 13.914 6.943 ( 0.391 1.948 0.004) 1.987 7.267 ( -1.170 4.370 -3.323) 5.613 7.433 ( -0.692 -8.242 -2.618) 8.676 7.765 ( -0.987 -3.021 4.311) 5.356 7.890 ( 1.791 -12.198 -1.767) 12.455 8.434 ( -0.009 0.420 13.036) 13.043 9.059 ( -4.662 -1.725 -7.792) 9.243 9.316 ( -4.970 3.949 1.002) 6.427 9.522 ( 5.516 -1.903 -0.926) 5.908 9.945 ( 6.021 -3.837 -6.965) 9.975 10.183 ( -7.261 -3.260 0.347) 7.967 10.309 ( 2.049 -13.609 -3.930) 14.312 10.576 ( -3.343 -10.128 -7.640) 13.120 11.037 ( -2.488 -6.305 -7.678) 10.242 11.293 ( 1.751 -0.981 10.206) 10.401 11.628 ( 2.487 12.994 5.335) 14.265 11.714 ( -1.016 -5.169 4.291) 6.794 12.419 ( 7.005 -7.016 2.465) 10.216 12.599 ( -1.477 3.045 -0.860) 3.492 13.069 ( -8.519 -8.650 -3.541) 12.646 13.438 ( -0.661 5.850 4.846) 7.625 13.848 ( -0.079 10.657 -1.357) 10.743 14.270 ( 0.988 14.435 1.648) 14.563 15.326 ( -7.117 -14.541 -1.108) 16.227 15.537 ( -6.026 -15.113 0.017) 16.270 16.539 ( 8.675 19.021 -0.898) 20.925 17.005 ( 17.096 10.022 -5.423) 20.546 17.907 ( 6.861 -16.356 2.311) 17.886 18.554 ( -12.398 0.750 -8.385) 14.986 20.168 ( 0.712 3.444 -1.579) 3.855 20.691 ( 1.207 5.441 -5.349) 7.725 23.242 ( -0.656 0.780 5.129) 5.229 23.426 ( -3.479 2.268 7.411) 8.495 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -6.431 17.127 -1.766) 18.379 2.439 ( -8.721 19.124 2.069) 21.121 2.681 ( 3.566 -4.043 -0.119) 5.393 2.783 ( 2.013 -4.207 -6.971) 8.387 2.999 ( 8.566 -7.282 2.014) 11.422 3.076 ( -1.891 -2.619 -4.961) 5.920 3.124 ( 1.984 -1.725 1.893) 3.240 3.293 ( 0.977 -0.370 -0.124) 1.052 3.391 ( 3.615 -1.404 -2.229) 4.473 3.428 ( 3.105 -3.397 -3.074) 5.535 3.586 ( -2.950 -3.714 -2.934) 5.577 3.723 ( 2.279 1.412 5.483) 6.103 3.958 ( 2.155 -4.814 -0.885) 5.348 4.202 ( 2.907 4.874 -6.261) 8.450 4.411 ( -2.923 7.304 4.036) 8.842 4.610 ( -6.341 6.355 2.397) 9.292 4.769 ( -0.699 -0.599 7.417) 7.474 4.819 ( -3.438 -3.216 12.773) 13.613 5.094 ( -2.400 -3.568 -2.276) 4.865 5.278 ( 3.404 -0.849 -2.707) 4.431 5.334 ( -7.420 -2.129 0.098) 7.719 5.520 ( 2.119 3.418 -0.634) 4.071 5.687 ( 0.765 -0.124 -5.577) 5.631 5.906 ( 2.779 1.871 -3.483) 4.833 6.267 ( 1.003 4.574 -1.493) 4.915 6.305 ( -0.562 -3.211 1.462) 3.572 6.885 ( -4.101 -8.056 5.156) 10.407 6.904 ( 4.425 2.326 3.377) 6.033 7.131 ( -6.841 5.300 -0.161) 8.655 7.519 ( 3.025 -0.534 -5.212) 6.050 7.785 ( -0.811 1.671 1.469) 2.368 8.032 ( 3.453 -2.437 1.388) 4.449 8.461 ( 0.167 1.312 10.528) 10.611 9.042 ( -5.354 -2.131 -7.395) 9.375 9.229 ( -4.927 -0.059 2.301) 5.438 9.617 ( 11.432 -0.876 -0.718) 11.488 9.993 ( 3.880 0.617 -6.433) 7.537 10.183 ( -1.843 -0.589 -0.700) 2.058 10.416 ( 1.709 0.416 -13.002) 13.120 10.716 ( 0.834 -8.841 -6.859) 11.221 11.177 ( -5.308 -12.294 -1.007) 13.429 11.226 ( 6.336 13.776 9.873) 18.094 11.474 ( -5.135 3.849 4.403) 7.783 11.761 ( -1.548 0.393 5.019) 5.268 12.464 ( 0.232 6.681 4.084) 7.833 12.561 ( -2.300 -0.759 0.535) 2.480 13.226 ( 1.926 -6.888 -2.497) 7.576 13.356 ( -0.341 -3.866 2.622) 4.684 13.844 ( 1.917 -6.688 -1.834) 7.195 14.048 ( -0.195 9.810 1.701) 9.958 15.527 ( -2.159 -12.552 0.810) 12.762 15.719 ( -3.195 -8.171 -1.072) 8.838 16.270 ( 0.970 13.596 -0.490) 13.639 16.795 ( -0.423 19.064 -5.929) 19.969 18.040 ( -0.240 4.726 2.877) 5.538 18.648 ( 7.656 -13.721 -7.964) 17.615 20.136 ( 3.774 1.423 -2.808) 4.914 20.645 ( -2.478 -2.445 -5.091) 6.168 23.234 ( -1.577 0.505 4.836) 5.111 23.407 ( -1.919 -0.665 7.402) 7.675 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -8.484 21.697 2.225) 23.403 2.007 ( -6.827 23.444 5.696) 25.074 2.729 ( 3.502 0.174 -5.578) 6.588 2.890 ( 5.069 -6.216 -6.624) 10.402 3.021 ( -0.379 2.967 -6.252) 6.930 3.128 ( 1.500 -0.370 -0.187) 1.557 3.257 ( 1.004 -8.961 1.659) 9.168 3.354 ( -0.054 -5.425 -0.078) 5.426 3.439 ( 0.043 -4.167 0.045) 4.167 3.475 ( 5.347 3.489 -4.536) 7.832 3.650 ( 0.771 -0.863 0.902) 1.467 3.722 ( -1.443 -1.450 7.599) 7.869 3.991 ( -0.249 3.557 1.448) 3.848 4.040 ( -2.010 13.411 4.937) 14.431 4.291 ( -1.500 -1.767 -8.366) 8.681 4.547 ( 0.406 -1.717 -2.246) 2.857 4.705 ( 0.165 6.236 8.761) 10.755 4.883 ( -4.492 -0.826 5.514) 7.160 5.104 ( -2.679 0.607 -1.258) 3.021 5.229 ( -2.649 0.993 0.381) 2.854 5.376 ( -3.569 -3.353 1.145) 5.029 5.425 ( -1.062 6.082 -2.816) 6.786 5.654 ( 1.943 5.050 0.012) 5.411 5.948 ( 6.867 -4.281 -7.912) 11.317 6.211 ( -1.999 1.272 -1.055) 2.594 6.334 ( -0.460 0.150 -1.057) 1.162 6.833 ( -5.100 2.530 3.857) 6.877 6.967 ( -4.345 3.132 2.577) 5.944 7.066 ( -1.020 -3.832 8.549) 9.424 7.455 ( 3.166 10.123 -3.292) 11.106 7.689 ( 0.192 8.516 -1.064) 8.585 8.064 ( 4.244 2.505 2.580) 5.562 8.436 ( -1.272 1.837 6.956) 7.306 9.009 ( -6.496 -1.543 -4.769) 8.205 9.237 ( 1.872 -0.480 -1.222) 2.287 9.726 ( 8.476 -2.137 1.850) 8.935 9.952 ( 0.286 4.908 -5.864) 7.652 10.163 ( 3.216 2.860 -4.816) 6.459 10.336 ( 3.225 6.250 -11.002) 13.058 10.791 ( 4.170 3.781 -4.356) 7.117 11.035 ( 7.987 13.447 7.027) 17.146 11.292 ( -9.791 -7.384 2.643) 12.545 11.493 ( -6.960 -10.553 -2.051) 12.807 11.708 ( -1.764 4.287 8.496) 9.678 12.230 ( -2.611 18.012 5.414) 18.989 12.602 ( -0.882 -4.300 -2.216) 4.917 13.244 ( 5.800 1.070 -3.003) 6.618 13.606 ( 1.328 -10.319 3.449) 10.961 13.899 ( 0.568 -5.972 -1.282) 6.135 14.114 ( 0.483 -12.989 2.969) 13.333 15.629 ( 3.314 13.012 -1.337) 13.494 15.717 ( 10.022 2.607 1.125) 10.417 16.204 ( -13.453 -11.753 -1.242) 17.907 16.422 ( -14.192 10.540 -4.332) 18.201 17.843 ( -0.435 17.157 3.327) 17.482 18.931 ( 17.486 -7.389 -17.036) 25.507 20.181 ( 5.217 -3.485 -2.605) 6.793 20.707 ( -6.294 -9.048 -2.083) 11.217 23.224 ( -1.906 0.082 3.622) 4.094 23.453 ( -1.711 -3.850 10.881) 11.669 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -6.652 23.365 7.139) 25.320 1.568 ( -2.454 24.516 10.745) 26.880 2.715 ( 3.195 5.323 -10.528) 12.222 2.855 ( -1.058 11.817 -5.872) 13.237 3.004 ( 1.439 14.990 2.656) 15.291 3.097 ( 5.291 -8.029 -2.274) 9.881 3.354 ( 0.480 2.157 -5.068) 5.529 3.387 ( -3.985 0.557 1.638) 4.344 3.443 ( -1.704 -2.634 2.124) 3.788 3.533 ( 1.977 -3.838 1.364) 4.527 3.601 ( -0.141 -4.771 -2.311) 5.303 3.776 ( 0.517 -2.154 5.762) 6.173 3.891 ( -7.749 0.922 6.624) 10.236 3.984 ( 2.507 -2.577 2.421) 4.335 4.361 ( -1.631 -6.716 -8.992) 11.341 4.568 ( 3.155 3.990 0.216) 5.091 4.614 ( 3.835 5.584 -2.518) 7.227 4.861 ( -2.530 -0.577 4.550) 5.239 5.007 ( 0.468 6.277 -5.763) 8.534 5.241 ( -4.216 -2.823 4.518) 6.794 5.277 ( -0.618 8.593 -5.348) 10.140 5.400 ( -5.070 -3.564 3.376) 7.057 5.601 ( 2.379 3.174 5.670) 6.920 6.056 ( 5.969 -2.301 -7.524) 9.876 6.195 ( -1.089 -1.403 -4.330) 4.680 6.283 ( 0.666 3.855 -5.206) 6.512 6.749 ( -9.158 2.144 7.146) 11.813 6.867 ( -3.331 5.403 3.555) 7.275 7.133 ( -2.317 -1.637 10.026) 10.420 7.215 ( 4.128 18.699 2.909) 19.369 7.502 ( -0.351 12.636 -2.171) 12.826 8.040 ( 2.106 2.607 -0.049) 3.351 8.453 ( 0.892 -2.648 5.937) 6.562 8.979 ( -4.888 -1.207 -3.345) 6.045 9.249 ( 4.740 1.258 -5.827) 7.616 9.790 ( -2.900 10.031 -8.520) 13.477 9.803 ( 2.816 0.175 2.499) 3.769 10.107 ( 3.003 5.503 -6.492) 9.025 10.226 ( 6.969 9.617 2.188) 12.077 10.662 ( 0.770 7.733 -5.875) 9.742 10.932 ( 4.513 7.367 5.480) 10.231 11.392 ( -0.382 -6.838 -2.655) 7.346 11.473 ( -6.005 6.317 -0.251) 8.720 11.780 ( -3.692 -11.627 7.471) 14.305 11.904 ( -2.435 15.950 5.904) 17.181 12.636 ( 1.764 0.812 -9.337) 9.537 13.255 ( 4.305 1.899 -6.923) 8.371 13.700 ( -4.902 -7.315 9.422) 12.896 14.171 ( 4.142 -16.374 0.861) 16.912 14.361 ( 0.765 -13.123 4.355) 13.848 15.331 ( 4.274 20.043 -2.582) 20.655 15.573 ( 2.396 19.292 1.286) 19.483 16.315 ( -14.095 -14.230 -1.125) 20.060 16.399 ( -4.169 -13.033 -3.053) 14.020 17.488 ( -1.307 22.219 1.761) 22.327 19.040 ( 22.475 7.326 -32.566) 40.241 20.321 ( 4.739 -7.826 -0.688) 9.175 20.834 ( -9.853 -12.442 2.581) 16.080 23.220 ( -1.555 -0.398 2.867) 3.286 23.567 ( -3.256 -8.158 17.245) 19.353 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.757 21.982 13.266) 26.112 1.185 ( 2.453 22.605 17.987) 28.992 2.201 ( -2.604 43.435 12.151) 45.177 2.760 ( 7.657 3.000 -12.516) 14.976 2.825 ( 0.681 6.382 -6.140) 8.882 3.263 ( 0.502 2.912 -6.184) 6.854 3.291 ( 4.260 -5.110 -3.567) 7.549 3.321 ( -7.425 1.264 4.015) 8.535 3.468 ( -4.634 -2.559 0.399) 5.308 3.694 ( -0.557 -9.370 0.709) 9.413 3.725 ( -5.048 -9.283 -1.194) 10.634 3.798 ( 1.931 -2.203 5.353) 6.102 3.940 ( 0.186 -7.593 0.585) 7.618 4.059 ( 1.091 -1.599 6.136) 6.434 4.380 ( -4.443 -0.450 -7.836) 9.019 4.438 ( 2.517 10.267 0.732) 10.596 4.610 ( 3.787 -0.846 -3.624) 5.310 4.868 ( 0.052 2.262 3.088) 3.829 4.919 ( 2.472 2.314 -10.443) 10.978 5.096 ( -1.942 8.411 -3.728) 9.403 5.290 ( -1.741 -4.703 4.072) 6.460 5.456 ( -1.980 -4.946 4.933) 7.261 5.612 ( 3.075 -0.455 8.003) 8.586 6.047 ( 3.070 8.254 -6.258) 10.804 6.133 ( 1.540 2.417 -8.785) 9.240 6.303 ( 1.355 -4.689 -5.600) 7.429 6.642 ( -11.090 3.515 6.304) 13.232 6.717 ( 1.068 11.203 5.639) 12.588 6.960 ( 4.872 13.658 8.923) 17.027 7.143 ( -6.639 -0.263 10.052) 12.050 7.245 ( -1.022 14.783 -1.830) 14.931 8.030 ( -0.156 -1.066 -1.776) 2.077 8.563 ( 2.993 -6.236 4.472) 8.237 8.963 ( -1.040 -0.728 -3.876) 4.078 9.234 ( 3.712 2.786 -8.229) 9.448 9.535 ( -5.433 12.713 -8.777) 16.376 9.780 ( 0.863 4.366 1.499) 4.696 9.959 ( -1.834 10.580 -1.960) 10.915 10.143 ( 3.605 5.219 2.859) 6.958 10.574 ( 0.846 1.927 -6.502) 6.834 10.845 ( -0.572 5.981 1.992) 6.330 11.217 ( -1.717 16.655 -4.488) 17.335 11.436 ( -0.379 5.291 2.393) 5.819 11.766 ( 6.103 1.762 0.115) 6.353 11.975 ( -7.581 -11.863 5.374) 15.069 12.518 ( 6.567 11.751 -21.097) 25.026 13.241 ( -0.035 -1.066 -3.673) 3.825 13.901 ( -6.566 -17.324 14.866) 23.754 14.418 ( 2.019 -7.553 0.220) 7.822 14.597 ( 2.398 -11.440 5.694) 13.002 15.050 ( 1.899 13.028 0.081) 13.166 15.271 ( -1.044 13.159 3.392) 13.629 16.451 ( -3.817 -7.644 -1.652) 8.702 16.590 ( 2.077 -7.703 -4.335) 9.080 17.128 ( -2.677 14.491 -1.633) 14.826 18.863 ( 30.874 26.508 -49.896) 64.385 20.490 ( 2.773 -7.417 0.596) 7.941 20.985 ( -13.121 -13.639 6.598) 20.043 23.226 ( -0.807 -0.623 2.574) 2.769 23.780 ( -8.482 -16.458 26.589) 32.400 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 17.643 0.000 18.263) 25.393 1.412 ( 18.917 0.000 25.212) 31.520 2.075 ( 29.385 0.000 7.415) 30.307 2.617 ( 4.851 0.000 -15.685) 16.418 2.968 ( -1.552 -0.000 -3.698) 4.010 2.986 ( -9.986 -0.000 -1.275) 10.067 3.143 ( 17.893 0.000 -3.373) 18.208 3.340 ( -1.627 -0.000 5.282) 5.527 3.568 ( 1.858 0.000 0.946) 2.085 3.596 ( -4.719 -0.000 -2.540) 5.360 3.812 ( -6.245 -0.000 5.602) 8.390 3.996 ( 4.814 0.000 -6.643) 8.203 4.042 ( -6.995 -0.000 11.081) 13.104 4.146 ( -6.046 -0.000 -1.780) 6.302 4.213 ( -8.538 -0.000 0.364) 8.546 4.308 ( -0.264 -0.000 -1.860) 1.879 4.469 ( 0.034 0.000 6.131) 6.131 4.712 ( 8.090 0.000 -19.266) 20.896 4.959 ( 2.064 0.000 -0.919) 2.259 4.973 ( 8.345 0.000 -0.955) 8.400 5.446 ( -0.386 -0.000 4.358) 4.375 5.521 ( -1.034 -0.000 -9.760) 9.815 5.705 ( 2.164 0.000 -3.747) 4.326 5.957 ( 6.310 0.000 6.616) 9.143 6.119 ( -16.399 -0.000 14.665) 21.999 6.212 ( -7.476 -0.000 -4.476) 8.714 6.302 ( -13.282 -0.000 -0.869) 13.310 6.675 ( 7.756 0.000 -0.464) 7.770 6.890 ( 1.387 0.000 -3.374) 3.648 7.043 ( 9.208 0.000 7.908) 12.138 7.101 ( 3.976 0.000 -1.278) 4.177 8.086 ( -1.011 -0.000 4.280) 4.398 8.437 ( -4.762 -0.000 -1.644) 5.038 8.649 ( -7.844 -0.000 0.801) 7.885 9.282 ( 9.464 0.000 -9.813) 13.633 9.288 ( 0.564 0.000 -6.067) 6.093 9.636 ( -3.312 -0.000 -1.658) 3.704 9.657 ( -6.464 -0.000 1.551) 6.648 10.284 ( 2.725 0.000 -5.421) 6.068 10.338 ( 0.193 0.000 2.441) 2.449 10.416 ( -7.345 -0.000 -4.837) 8.795 10.672 ( 3.756 0.000 -2.584) 4.559 11.304 ( -0.861 -0.000 4.812) 4.888 11.905 ( 6.861 0.000 -10.210) 12.301 12.105 ( 9.655 0.000 -3.356) 10.222 12.650 ( 7.285 0.000 0.589) 7.309 13.298 ( -1.154 -0.000 -0.078) 1.157 14.148 ( -13.840 -0.000 12.717) 18.795 14.335 ( 4.039 0.000 0.136) 4.041 14.644 ( -2.000 -0.000 0.100) 2.003 15.108 ( -13.173 -0.000 -12.784) 18.356 15.387 ( 5.228 0.000 7.573) 9.202 16.305 ( -0.069 -0.000 -1.968) 1.969 16.406 ( -1.516 -0.000 1.773) 2.333 17.329 ( 20.548 0.000 -2.566) 20.707 19.110 ( 26.154 0.000 -41.687) 49.212 20.503 ( -12.275 -0.000 3.944) 12.893 21.103 ( 5.088 0.000 4.514) 6.801 23.279 ( 1.144 0.000 2.480) 2.732 23.823 ( -20.366 -0.000 24.830) 32.114 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 16.340 -17.953 12.900) 27.490 1.686 ( 16.607 -9.154 22.006) 29.049 2.338 ( 20.790 -5.716 -4.777) 22.085 2.716 ( 4.460 -9.610 -10.641) 15.016 2.876 ( -8.624 -0.488 -10.938) 13.938 2.953 ( -7.790 -3.175 -2.744) 8.848 3.333 ( -0.849 -0.214 7.034) 7.088 3.358 ( 19.959 1.626 4.146) 20.449 3.500 ( -0.299 6.809 2.159) 7.149 3.531 ( 3.561 1.976 -0.311) 4.084 3.737 ( -2.214 5.059 4.814) 7.327 3.926 ( -6.876 5.412 3.240) 9.331 4.041 ( 0.156 4.373 -2.376) 4.979 4.086 ( -4.136 -1.721 1.306) 4.666 4.200 ( -5.467 -3.200 -0.778) 6.382 4.308 ( -0.312 -2.576 3.744) 4.555 4.534 ( -2.318 -6.205 2.039) 6.930 4.765 ( 10.300 -2.147 -18.828) 21.569 4.976 ( 4.745 0.461 -1.503) 4.998 5.074 ( 6.575 -3.755 -1.402) 7.700 5.420 ( 1.301 2.174 2.999) 3.926 5.606 ( 0.248 -10.088 -5.833) 11.655 5.686 ( 0.098 4.795 -1.584) 5.051 5.939 ( -2.837 1.803 7.002) 7.767 6.070 ( -9.690 -4.649 8.779) 13.877 6.138 ( -11.584 2.833 -1.231) 11.989 6.282 ( -6.833 -9.890 0.040) 12.021 6.791 ( 5.727 -6.756 -2.068) 9.095 6.922 ( 0.603 -2.504 -2.412) 3.528 7.122 ( 5.184 -2.751 -2.542) 6.395 7.230 ( 10.293 -6.996 3.827) 13.020 7.984 ( -2.941 9.528 2.683) 10.326 8.440 ( -8.444 -3.586 3.438) 9.797 8.774 ( -3.473 -17.858 1.597) 18.263 9.201 ( -1.345 3.681 -7.554) 8.510 9.404 ( 8.127 -4.576 -5.002) 10.584 9.587 ( -11.295 0.310 5.114) 12.402 9.662 ( -1.902 -6.301 -5.790) 8.766 10.131 ( -1.413 6.194 1.210) 6.467 10.319 ( -6.890 -1.331 -5.701) 9.041 10.642 ( 0.642 -16.143 1.489) 16.224 10.782 ( 0.133 -9.876 -3.669) 10.537 11.347 ( -0.544 -4.257 4.890) 6.506 11.930 ( 1.538 -1.228 -5.930) 6.248 12.170 ( 13.134 2.375 -4.964) 14.240 12.679 ( 6.338 2.611 -0.607) 6.882 13.243 ( -2.110 4.666 -0.157) 5.123 13.966 ( -8.181 11.006 10.170) 17.073 14.429 ( 2.124 -5.247 1.232) 5.794 14.683 ( -2.985 -4.096 -1.124) 5.192 14.889 ( -8.790 8.279 -8.294) 14.650 15.319 ( 5.872 10.317 4.305) 12.628 16.459 ( -0.606 -15.334 -1.589) 15.428 16.559 ( 1.000 -15.406 0.852) 15.462 17.437 ( 19.553 5.064 -3.287) 20.464 19.113 ( 10.997 7.698 -30.863) 33.656 20.388 ( -10.119 3.022 2.944) 10.963 21.109 ( 5.743 5.325 1.842) 8.045 23.287 ( 0.938 0.762 2.952) 3.190 23.693 ( -13.358 4.533 19.523) 24.086 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 14.184 -13.633 10.401) 22.254 2.092 ( 13.431 -17.857 13.412) 26.060 2.532 ( 6.459 -5.163 -10.640) 13.475 2.852 ( 0.986 -4.498 -12.541) 13.360 2.896 ( -8.522 -10.307 -2.073) 13.533 2.995 ( 5.995 -6.629 -11.137) 14.280 3.230 ( -0.717 10.824 1.234) 10.918 3.312 ( -5.556 8.373 -0.203) 10.051 3.399 ( -2.979 0.817 4.182) 5.200 3.558 ( -0.857 4.576 6.312) 7.844 3.732 ( 3.685 3.018 6.377) 7.960 3.867 ( 4.952 4.584 0.259) 6.753 3.971 ( 11.613 -1.379 3.602) 12.237 4.093 ( -3.560 5.158 3.511) 7.184 4.116 ( 0.195 -0.562 3.651) 3.699 4.470 ( 1.709 -11.622 -1.248) 11.813 4.633 ( -7.526 -8.686 -1.469) 11.587 4.825 ( 4.184 -0.090 -7.383) 8.487 5.015 ( 8.596 -0.133 -4.211) 9.573 5.150 ( 0.622 -1.172 -2.316) 2.669 5.444 ( 6.245 -0.595 4.220) 7.560 5.541 ( -2.354 7.717 -0.192) 8.070 5.755 ( -3.624 -4.519 0.822) 5.851 5.947 ( -9.947 -1.635 -6.087) 11.775 5.983 ( -2.723 -2.029 5.873) 6.783 6.207 ( -4.520 -13.186 6.425) 15.348 6.436 ( 0.496 -8.839 -0.550) 8.871 6.945 ( 2.221 -3.262 -4.008) 5.625 6.987 ( 1.287 -9.189 1.533) 9.404 7.229 ( 1.857 -7.256 -7.519) 10.613 7.472 ( 12.295 -8.729 2.080) 15.221 7.782 ( -6.169 8.493 2.733) 10.847 8.439 ( -6.662 -1.577 9.841) 11.988 9.033 ( -3.552 -5.022 -7.704) 9.859 9.202 ( -0.430 -13.835 0.259) 13.844 9.467 ( -11.244 1.160 4.301) 12.094 9.589 ( 7.470 -8.224 0.255) 11.113 9.794 ( 0.912 -10.465 -9.024) 13.848 10.061 ( -5.827 -0.588 1.067) 5.953 10.310 ( -5.447 -4.664 -4.742) 8.597 10.880 ( 1.079 -6.983 -0.824) 7.114 10.961 ( -2.718 -14.999 -0.736) 15.261 11.459 ( -0.296 -7.407 4.421) 8.631 11.946 ( 0.092 0.571 1.250) 1.378 12.207 ( 10.352 1.153 -4.857) 11.492 12.671 ( 5.059 2.672 -2.363) 6.190 13.110 ( -4.144 7.345 -0.775) 8.469 13.737 ( -3.828 11.569 8.024) 14.590 14.397 ( -5.004 11.798 -0.407) 12.821 14.630 ( 2.268 3.585 -1.347) 4.451 14.865 ( -6.231 -9.621 -1.226) 11.528 15.227 ( 2.651 2.743 0.129) 3.817 16.733 ( 0.463 -13.606 0.558) 13.626 16.905 ( 7.681 -19.114 0.242) 20.601 17.469 ( 17.534 5.086 -4.299) 18.756 18.886 ( -2.049 14.922 -20.195) 25.194 20.276 ( -5.932 2.772 0.697) 6.585 21.017 ( 4.318 9.726 -0.728) 10.666 23.282 ( 0.438 1.266 3.927) 4.149 23.562 ( -8.065 4.834 13.109) 16.133 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 10.571 -11.833 5.487) 16.789 2.507 ( 8.791 -15.505 8.348) 19.681 2.594 ( -2.021 -4.616 -10.973) 12.074 2.894 ( -1.343 2.285 -2.779) 3.840 2.958 ( -3.754 8.101 -0.991) 8.983 3.015 ( 3.233 -8.087 -12.484) 15.222 3.097 ( -6.316 8.551 -0.246) 10.634 3.213 ( 6.476 -5.640 -6.434) 10.730 3.345 ( -2.533 3.753 0.629) 4.572 3.534 ( 3.828 0.678 6.853) 7.879 3.647 ( -2.132 7.995 -0.048) 8.275 3.778 ( -0.558 1.506 4.331) 4.620 3.910 ( -0.739 8.111 3.394) 8.823 4.187 ( 1.715 -4.429 -0.240) 4.755 4.313 ( 18.972 -10.144 9.614) 23.564 4.632 ( -12.118 1.155 -4.330) 12.920 4.674 ( -1.348 -9.345 3.294) 10.000 4.846 ( 3.975 -3.614 -0.250) 5.378 5.037 ( -0.780 5.138 1.570) 5.429 5.160 ( 2.305 -3.003 -5.010) 6.279 5.400 ( -3.183 4.755 0.128) 5.724 5.542 ( 6.168 -1.215 1.434) 6.448 5.713 ( -9.527 0.097 -2.240) 9.787 5.864 ( -1.990 -0.232 2.390) 3.118 6.131 ( 0.765 -7.410 0.017) 7.449 6.434 ( -3.004 -13.558 4.178) 14.502 6.532 ( 4.878 0.988 -0.457) 4.998 6.982 ( 4.042 -0.203 -1.599) 4.352 7.210 ( -2.220 -13.900 -1.339) 14.140 7.322 ( 3.080 -0.925 -4.726) 5.716 7.610 ( -7.062 -4.421 -3.657) 9.099 7.771 ( 8.330 -7.770 5.473) 12.637 8.444 ( -4.201 -1.342 12.296) 13.063 8.986 ( -4.143 0.216 -8.756) 9.689 9.326 ( -10.253 3.175 2.982) 11.140 9.499 ( 7.309 -10.266 1.305) 12.669 9.864 ( 7.991 -12.493 -2.934) 15.117 9.965 ( -3.603 -9.920 -4.930) 11.649 10.082 ( -3.480 -9.696 1.804) 10.459 10.363 ( -6.161 -7.587 -7.324) 12.214 10.932 ( -1.584 -3.050 -10.428) 10.980 11.213 ( 1.890 -10.920 9.187) 14.395 11.604 ( 0.103 -7.746 3.811) 8.633 11.864 ( -0.944 9.278 5.836) 11.002 12.338 ( 8.792 -8.490 -3.450) 12.699 12.652 ( 2.457 3.055 -1.328) 4.139 12.945 ( -7.776 4.365 -2.150) 9.173 13.559 ( -1.487 8.106 6.387) 10.427 14.094 ( -2.067 16.543 -1.266) 16.720 14.512 ( -0.431 11.525 0.512) 11.544 15.021 ( -4.821 -13.289 -0.710) 14.154 15.288 ( -1.536 -8.349 -0.668) 8.515 16.843 ( 3.837 5.600 2.874) 7.372 17.228 ( 16.615 -4.229 -5.586) 18.032 17.650 ( 10.472 -15.816 0.205) 18.970 18.524 ( -12.085 13.356 -12.578) 21.969 20.207 ( -1.741 1.665 -1.285) 2.730 20.850 ( 2.329 11.323 -2.957) 11.932 23.270 ( -0.289 1.405 5.104) 5.301 23.462 ( -4.831 3.492 8.228) 10.160 ======================= Grid point 131 (55/172) ======================= q-point: ( 0.60 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.767 1.899 -1.642) 3.070 2.631 ( 1.153 0.871 -2.811) 3.161 2.673 ( -4.815 -1.704 -2.688) 5.771 2.749 ( -0.748 11.894 3.016) 12.294 2.883 ( 3.245 -9.134 1.984) 9.894 3.036 ( -0.450 -2.482 -2.146) 3.312 3.127 ( 2.370 -1.131 -2.590) 3.688 3.291 ( 3.755 -0.546 -5.036) 6.305 3.320 ( 3.597 -4.742 -8.097) 10.049 3.505 ( -4.116 2.931 -1.181) 5.189 3.547 ( 4.596 6.048 5.547) 9.406 3.780 ( 1.108 1.269 5.447) 5.702 3.883 ( 2.362 -4.330 1.262) 5.092 4.271 ( 4.448 -1.760 -4.221) 6.380 4.445 ( -11.614 5.398 0.591) 12.821 4.611 ( 9.638 -7.604 6.984) 14.124 4.766 ( -4.922 -2.896 7.784) 9.655 4.853 ( -3.602 10.459 3.379) 11.567 4.993 ( 0.685 -6.201 -1.204) 6.354 5.232 ( -0.089 -3.457 0.454) 3.488 5.293 ( -6.573 1.297 -1.933) 6.973 5.596 ( 4.470 1.813 0.798) 4.889 5.660 ( -0.329 -0.845 -4.312) 4.407 5.898 ( -0.252 -2.877 -1.461) 3.237 6.226 ( -0.774 -3.903 1.649) 4.307 6.438 ( 4.276 9.473 -3.042) 10.829 6.674 ( -4.518 -12.775 6.384) 14.979 6.999 ( 5.990 2.769 -0.776) 6.644 7.200 ( -4.846 6.160 0.297) 7.844 7.456 ( 4.686 -7.822 -2.720) 9.515 7.696 ( -5.628 -9.238 -2.179) 11.035 7.977 ( 5.489 -7.208 1.844) 9.246 8.472 ( -3.683 -1.673 10.538) 11.287 8.956 ( -2.150 -1.549 -7.874) 8.308 9.211 ( -5.980 1.927 4.338) 7.635 9.686 ( 11.161 -1.866 1.524) 11.419 10.005 ( 3.805 -2.252 -8.543) 9.619 10.074 ( -3.847 -8.950 1.157) 9.810 10.344 ( 2.752 -8.733 -4.706) 10.295 10.446 ( -6.902 -15.076 -7.999) 18.410 10.965 ( -1.414 -5.718 -10.450) 11.996 11.369 ( 1.213 -2.165 12.097) 12.349 11.660 ( -1.252 12.293 6.307) 13.873 11.734 ( 0.793 -3.167 3.829) 5.032 12.514 ( 2.254 -1.106 -1.943) 3.175 12.597 ( 2.884 3.415 3.229) 5.514 12.928 ( -7.142 -13.555 -3.559) 15.729 13.451 ( -0.322 6.075 4.178) 7.380 13.859 ( 1.795 7.597 -0.129) 7.807 14.268 ( -1.605 14.321 -1.025) 14.447 15.239 ( -3.390 -15.479 0.360) 15.850 15.455 ( -3.803 -12.898 -0.573) 13.459 16.643 ( 4.594 19.565 1.225) 20.134 17.212 ( 12.380 19.980 -6.564) 24.404 17.997 ( 1.434 -9.947 1.629) 10.181 18.369 ( -5.444 -13.632 -6.898) 16.219 20.181 ( 1.668 0.861 -2.823) 3.390 20.674 ( 0.215 8.178 -4.407) 9.293 23.251 ( -1.233 1.414 5.458) 5.772 23.408 ( -2.702 1.079 6.305) 6.944 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -2.695 19.245 3.509) 19.747 2.379 ( -1.158 20.577 3.634) 20.927 2.728 ( 3.223 -2.685 -4.708) 6.305 2.768 ( 0.027 -7.867 -5.937) 9.856 3.040 ( -0.525 -3.026 -3.614) 4.743 3.097 ( 4.176 -4.693 0.857) 6.340 3.158 ( 1.740 -2.827 -0.219) 3.326 3.295 ( -0.862 -0.386 -1.195) 1.523 3.424 ( -0.382 3.005 -1.209) 3.262 3.478 ( 4.323 -7.554 -2.026) 8.937 3.526 ( -1.349 -1.978 -2.123) 3.200 3.766 ( -0.840 1.501 5.356) 5.625 3.992 ( 1.106 -3.325 2.112) 4.092 4.212 ( 2.514 6.428 -8.488) 10.940 4.375 ( -1.899 2.973 0.629) 3.583 4.573 ( 0.302 10.114 2.025) 10.319 4.766 ( -6.173 -0.117 13.435) 14.785 4.823 ( -0.646 -4.068 5.467) 6.845 5.043 ( -4.515 -3.082 0.158) 5.469 5.225 ( -1.977 0.885 -1.105) 2.432 5.320 ( 2.138 -2.444 -0.630) 3.308 5.524 ( -0.495 5.737 -3.026) 6.505 5.710 ( 3.284 -1.141 -1.888) 3.956 5.931 ( 3.071 -1.678 -6.286) 7.194 6.253 ( -2.257 2.632 0.899) 3.582 6.317 ( 1.094 2.312 1.038) 2.760 6.805 ( -5.403 -3.925 -0.014) 6.678 6.998 ( 2.933 1.464 5.608) 6.496 7.065 ( -2.598 4.363 4.068) 6.506 7.559 ( 4.788 -0.293 -3.073) 5.697 7.753 ( -2.661 -0.691 -1.835) 3.305 8.099 ( 2.291 -2.452 1.874) 3.843 8.468 ( -4.022 0.806 7.550) 8.592 8.936 ( -2.608 -0.325 -7.182) 7.648 9.221 ( 1.498 -2.862 4.087) 5.209 9.759 ( 4.171 -0.211 3.856) 5.684 10.021 ( 3.250 2.732 -6.718) 7.948 10.188 ( 3.095 -3.460 -1.036) 4.756 10.357 ( 0.719 -0.800 -17.760) 17.793 10.721 ( 1.898 -14.625 -0.756) 14.767 11.043 ( -7.243 -7.238 -7.526) 12.708 11.364 ( 0.804 5.910 11.818) 13.238 11.426 ( -0.823 12.408 3.989) 13.059 11.768 ( -0.571 1.248 5.128) 5.308 12.461 ( -2.562 6.191 1.628) 6.895 12.546 ( 0.131 2.634 2.787) 3.837 13.236 ( 0.790 -17.430 -3.009) 17.705 13.372 ( 0.469 -1.317 3.044) 3.350 13.878 ( 2.939 -3.526 -0.677) 4.640 14.033 ( -2.375 7.259 0.425) 7.649 15.505 ( -0.945 -16.159 1.378) 16.245 15.661 ( -2.340 -13.422 -1.651) 13.724 16.300 ( 2.413 21.498 0.079) 21.633 16.766 ( 0.415 31.032 -5.248) 31.476 18.028 ( -2.423 3.825 1.871) 4.900 18.730 ( 5.959 -21.438 -7.817) 23.584 20.190 ( 3.948 -0.396 -4.079) 5.690 20.578 ( -2.124 0.456 -4.166) 4.699 23.228 ( -1.671 1.046 4.427) 4.846 23.412 ( -1.949 -1.665 7.789) 8.199 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 2.874 22.655 7.209) 23.948 2.005 ( 1.325 23.316 7.704) 24.592 2.766 ( 3.846 0.557 -5.834) 7.010 2.918 ( 1.259 -10.136 -5.865) 11.778 3.005 ( 3.045 6.262 -6.883) 9.791 3.161 ( 3.117 0.407 -3.239) 4.513 3.257 ( -1.332 -7.007 -0.231) 7.136 3.315 ( -4.994 -3.906 2.666) 6.878 3.422 ( -2.111 -4.843 -0.755) 5.337 3.503 ( 0.364 2.954 -5.655) 6.391 3.622 ( -2.543 -5.400 3.320) 6.830 3.745 ( -1.130 2.044 5.193) 5.694 3.995 ( -1.970 1.665 2.645) 3.694 4.052 ( 0.181 18.909 7.031) 20.174 4.238 ( 0.155 -2.102 -9.452) 9.684 4.569 ( 3.736 -2.460 -3.731) 5.824 4.757 ( 2.072 3.244 8.463) 9.297 4.841 ( -3.716 -0.733 6.005) 7.100 5.061 ( -1.142 -0.326 -2.201) 2.501 5.197 ( -0.997 0.563 2.156) 2.442 5.329 ( -2.105 1.181 -2.470) 3.453 5.403 ( -0.534 5.680 -4.256) 7.118 5.710 ( 3.780 3.913 3.305) 6.366 6.011 ( 6.070 -5.003 -9.235) 12.131 6.182 ( -0.982 1.387 -0.827) 1.890 6.314 ( -1.951 0.817 0.513) 2.176 6.743 ( -6.306 3.588 -0.131) 7.256 6.950 ( 1.361 4.342 4.952) 6.725 7.093 ( -2.574 -3.078 9.628) 10.431 7.513 ( 4.616 10.007 0.439) 11.029 7.670 ( -1.400 7.114 -2.766) 7.761 8.095 ( -1.458 3.174 0.242) 3.501 8.451 ( -1.558 -0.348 8.008) 8.166 8.918 ( -0.637 -0.999 -6.078) 6.193 9.284 ( 3.186 -0.764 -0.003) 3.277 9.803 ( 0.135 -1.765 3.769) 4.164 9.916 ( -0.802 8.131 -7.427) 11.041 10.193 ( 3.786 3.993 -9.878) 11.307 10.374 ( 6.151 0.341 -4.515) 7.638 10.833 ( 0.182 11.008 -1.507) 11.112 11.037 ( -6.144 -5.720 0.775) 8.430 11.287 ( 5.123 2.311 7.966) 9.749 11.371 ( -5.570 -5.879 -6.041) 10.103 11.722 ( -1.551 3.363 8.134) 8.938 12.228 ( -1.062 17.158 5.950) 18.192 12.588 ( 0.715 -4.393 -2.164) 4.949 13.314 ( 4.494 0.818 -1.924) 4.957 13.569 ( -6.907 -6.554 0.294) 9.526 13.912 ( 1.004 -11.544 -0.679) 11.608 14.149 ( 1.393 -12.645 5.146) 13.723 15.645 ( -0.684 7.059 -0.979) 7.159 15.835 ( -0.766 -0.350 -0.580) 1.022 16.061 ( 1.224 -0.737 -0.676) 1.581 16.298 ( 1.796 13.405 -3.582) 13.992 17.833 ( -2.228 16.685 1.925) 16.942 19.055 ( 7.132 -11.574 -16.407) 21.307 20.249 ( 3.710 -4.179 -3.556) 6.623 20.604 ( -3.811 -6.508 -1.644) 7.718 23.214 ( -1.293 0.220 3.509) 3.746 23.468 ( -2.873 -4.436 11.258) 12.437 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 13.570 22.019 10.210) 27.807 1.647 ( 4.918 22.696 12.885) 26.557 2.687 ( -0.613 12.091 -7.917) 14.466 2.890 ( 8.235 7.725 -8.398) 14.072 3.045 ( 2.697 5.847 -0.646) 6.471 3.147 ( 1.002 -4.167 -2.089) 4.768 3.273 ( -5.846 -0.450 1.557) 6.066 3.371 ( 0.087 4.220 -5.469) 6.908 3.418 ( -1.512 -0.080 0.947) 1.786 3.526 ( -5.496 -5.389 -0.219) 7.700 3.571 ( 0.338 -1.907 2.859) 3.453 3.777 ( -2.660 -6.468 2.876) 7.561 3.846 ( -2.107 4.295 7.369) 8.786 4.003 ( -2.908 -4.377 3.441) 6.282 4.292 ( -2.640 -3.682 -7.541) 8.797 4.613 ( 4.076 0.584 -1.906) 4.537 4.662 ( 3.111 9.506 -2.277) 10.258 4.879 ( 2.509 -0.999 4.055) 4.872 5.016 ( 3.780 4.555 -6.289) 8.636 5.166 ( -6.383 2.646 1.066) 6.992 5.266 ( 2.330 2.251 -2.797) 4.280 5.370 ( -2.120 -3.788 4.033) 5.926 5.681 ( 3.900 3.190 6.440) 8.177 6.127 ( 6.512 -3.123 -8.471) 11.132 6.163 ( 0.910 2.365 -5.906) 6.427 6.262 ( -0.864 1.049 -2.676) 3.001 6.620 ( -9.601 3.548 4.611) 11.226 6.906 ( 5.524 6.185 5.584) 9.997 7.105 ( -6.683 0.262 8.847) 11.091 7.307 ( 4.430 16.565 5.046) 17.874 7.484 ( -0.593 12.574 -2.268) 12.790 8.013 ( -4.135 2.107 -2.074) 5.083 8.500 ( -0.983 -3.976 8.462) 9.401 8.936 ( 3.285 -1.412 -5.027) 6.169 9.294 ( 3.061 1.858 -4.414) 5.683 9.713 ( -1.159 11.954 -8.842) 14.914 9.822 ( -1.974 -0.005 2.282) 3.017 10.084 ( -0.330 8.184 -8.902) 12.097 10.339 ( 3.706 10.303 6.575) 12.772 10.596 ( -6.218 5.178 -6.539) 10.404 10.988 ( 0.222 8.516 5.865) 10.343 11.352 ( -5.541 2.788 -7.122) 9.444 11.454 ( 6.862 -7.166 0.956) 9.968 11.733 ( -4.464 -6.422 7.970) 11.167 11.961 ( 3.850 13.400 6.151) 15.238 12.635 ( 3.413 1.030 -9.209) 9.875 13.262 ( 0.375 5.279 -8.044) 9.629 13.623 ( -8.380 -10.783 8.981) 16.345 14.226 ( 1.636 -17.957 2.376) 18.187 14.393 ( -0.104 -12.083 5.156) 13.138 15.361 ( 1.133 19.247 -2.207) 19.406 15.522 ( -9.768 18.393 0.045) 20.826 16.289 ( 12.215 -9.790 -2.342) 15.828 16.420 ( 7.368 -14.853 -1.773) 16.674 17.459 ( -2.356 22.844 0.141) 22.966 19.144 ( 7.862 1.864 -29.519) 30.605 20.369 ( 0.265 -7.674 -0.819) 7.722 20.720 ( -3.728 -9.735 2.302) 10.676 23.217 ( -0.530 -0.494 3.075) 3.159 23.573 ( -5.699 -7.935 16.538) 19.208 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 18.812 0.000 14.976) 24.046 1.799 ( 16.273 0.000 22.696) 27.927 2.435 ( 15.471 0.000 -6.929) 16.952 2.611 ( -2.042 -0.000 -7.270) 7.552 2.802 ( -6.816 -0.000 -11.075) 13.004 2.844 ( -2.134 -0.000 -7.910) 8.192 3.347 ( 0.659 0.000 5.945) 5.981 3.515 ( -1.647 -0.000 2.309) 2.836 3.559 ( 1.771 0.000 4.533) 4.867 3.635 ( 15.376 0.000 3.772) 15.832 3.829 ( 12.586 0.000 4.953) 13.525 3.919 ( -12.322 -0.000 8.365) 14.893 4.038 ( 2.037 0.000 -6.998) 7.288 4.061 ( -2.533 -0.000 -1.352) 2.872 4.086 ( -5.371 -0.000 -2.734) 6.027 4.237 ( -7.330 -0.000 0.048) 7.330 4.527 ( 1.833 0.000 9.194) 9.375 4.804 ( 12.962 0.000 -18.425) 22.528 5.021 ( 7.080 0.000 -2.653) 7.561 5.092 ( 7.231 0.000 -1.909) 7.479 5.460 ( -0.191 -0.000 3.013) 3.019 5.490 ( 1.715 0.000 -4.926) 5.216 5.714 ( 0.244 0.000 -1.769) 1.786 5.921 ( -17.263 -0.000 -3.580) 17.631 5.936 ( -14.760 -0.000 14.210) 20.489 6.080 ( -13.247 -0.000 7.846) 15.396 6.140 ( 2.347 0.000 -0.718) 2.455 6.777 ( 6.287 0.000 -3.406) 7.150 6.885 ( 0.645 0.000 -4.958) 4.999 7.174 ( 7.232 0.000 -5.021) 8.804 7.229 ( 10.155 0.000 3.989) 10.910 8.092 ( -1.059 -0.000 3.104) 3.280 8.337 ( -8.995 -0.000 4.654) 10.128 8.581 ( 0.108 0.000 -0.589) 0.599 9.238 ( -2.365 -0.000 -3.343) 4.095 9.369 ( 4.707 0.000 -5.148) 6.976 9.523 ( -12.554 -0.000 6.750) 14.253 9.541 ( -5.241 -0.000 -6.218) 8.132 10.218 ( -4.641 -0.000 -6.504) 7.990 10.347 ( -2.851 -0.000 2.753) 3.963 10.363 ( 1.542 0.000 1.717) 2.307 10.721 ( 3.692 0.000 -2.422) 4.415 11.318 ( -0.318 -0.000 5.150) 5.160 11.917 ( 1.594 0.000 -6.183) 6.386 12.293 ( 14.135 0.000 -6.001) 15.356 12.751 ( 5.219 0.000 1.269) 5.371 13.268 ( -2.567 -0.000 -0.313) 2.586 14.026 ( -8.530 -0.000 9.835) 13.019 14.403 ( 4.289 0.000 0.262) 4.297 14.609 ( -2.399 -0.000 -0.018) 2.399 14.885 ( -6.567 -0.000 -13.499) 15.011 15.506 ( 4.645 0.000 6.238) 7.777 16.294 ( -0.214 -0.000 -2.303) 2.313 16.390 ( -1.452 -0.000 2.046) 2.509 17.630 ( 18.772 0.000 -3.245) 19.051 19.207 ( 8.735 0.000 -27.318) 28.680 20.340 ( -9.851 -0.000 2.372) 10.132 21.205 ( 5.428 0.000 1.066) 5.532 23.308 ( 0.859 0.000 3.286) 3.397 23.671 ( -12.300 -0.000 17.627) 21.494 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 16.054 -14.142 10.945) 24.032 2.017 ( 12.884 -6.242 18.866) 23.683 2.489 ( -0.819 -1.007 -9.394) 9.483 2.635 ( -10.625 -9.076 -1.013) 14.010 2.790 ( 6.680 -2.807 -11.184) 13.326 2.899 ( 8.050 -5.922 -12.361) 15.896 3.360 ( -0.331 0.462 4.108) 4.147 3.411 ( -8.209 8.410 5.973) 13.183 3.466 ( 1.383 9.051 -1.060) 9.217 3.663 ( 2.982 5.016 2.108) 6.205 3.798 ( -7.065 3.379 6.396) 10.111 3.964 ( 3.215 1.043 -0.543) 3.423 4.041 ( -0.688 -0.473 0.755) 1.125 4.090 ( -5.720 -3.136 0.751) 6.567 4.133 ( 21.503 -1.353 2.969) 21.749 4.266 ( -1.837 -10.288 -4.155) 11.247 4.552 ( 1.240 0.671 8.104) 8.226 4.848 ( 7.149 0.596 -10.268) 12.526 5.085 ( 11.025 -0.023 -6.292) 12.694 5.146 ( 3.553 -0.313 -1.756) 3.976 5.454 ( 1.111 -0.783 3.463) 3.720 5.600 ( -4.641 -5.558 0.038) 7.241 5.644 ( -3.961 3.228 -1.115) 5.230 5.782 ( -12.789 -3.724 -5.080) 14.256 5.917 ( -10.224 -6.080 11.081) 16.257 6.053 ( -4.552 -2.330 7.070) 8.725 6.216 ( -2.256 -9.273 1.160) 9.613 6.856 ( 3.068 -4.959 -2.298) 6.268 6.917 ( 2.036 -3.365 -6.297) 7.425 7.199 ( 7.483 0.656 -5.990) 9.607 7.409 ( 9.694 -8.756 0.644) 13.079 7.943 ( -3.572 12.011 1.339) 12.602 8.339 ( -8.382 -4.755 8.254) 12.689 8.754 ( 1.049 -16.063 -1.352) 16.154 9.150 ( -1.325 4.665 -2.092) 5.281 9.399 ( -11.873 0.383 6.218) 13.408 9.491 ( -1.611 -8.290 2.188) 8.724 9.597 ( 1.620 -9.071 -11.250) 14.542 10.119 ( -0.230 8.355 0.283) 8.363 10.202 ( -5.943 -0.663 -1.898) 6.274 10.648 ( -0.956 -17.844 1.265) 17.914 10.787 ( 2.402 -4.618 -2.029) 5.587 11.365 ( -0.138 -4.221 5.046) 6.580 11.928 ( 1.319 -1.284 -3.902) 4.314 12.341 ( 10.671 4.344 -5.046) 12.578 12.766 ( 4.757 2.782 0.756) 5.562 13.197 ( -3.425 5.291 -0.684) 6.340 13.904 ( -4.998 8.694 7.957) 12.801 14.463 ( 1.327 -0.938 1.007) 1.912 14.626 ( -3.454 -2.843 -0.854) 4.554 14.766 ( -1.426 3.241 -10.015) 10.623 15.411 ( 3.329 11.901 3.925) 12.966 16.449 ( -0.058 -15.482 -0.614) 15.494 16.570 ( -0.191 -19.202 1.160) 19.238 17.710 ( 16.349 5.611 -4.336) 17.820 19.098 ( 3.196 11.691 -21.015) 24.259 20.261 ( -7.123 1.315 0.930) 7.303 21.192 ( 4.233 6.063 -0.061) 7.395 23.315 ( 0.534 0.876 4.202) 4.325 23.594 ( -9.040 2.859 13.337) 16.364 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 10.417 -11.037 6.647) 16.568 2.304 ( 2.941 -13.939 10.067) 17.444 2.479 ( -0.167 -3.926 -10.938) 11.622 2.732 ( -10.777 -11.120 1.326) 15.542 2.908 ( 11.221 -4.627 -11.119) 16.460 3.078 ( 8.660 -4.147 -11.530) 15.004 3.167 ( -6.183 7.413 3.706) 10.340 3.266 ( -0.282 10.948 -1.706) 11.084 3.386 ( -1.217 1.722 5.481) 5.873 3.604 ( 3.465 3.371 3.104) 5.745 3.738 ( -2.112 2.135 6.873) 7.501 3.838 ( -4.799 7.508 -1.028) 8.970 4.010 ( -3.989 3.693 1.877) 5.751 4.135 ( 0.520 -4.483 1.566) 4.777 4.340 ( 6.701 -6.253 -4.193) 10.079 4.503 ( 15.445 -8.689 -0.781) 17.739 4.573 ( 0.712 -0.741 8.078) 8.143 4.854 ( 1.089 0.550 -2.139) 2.462 5.121 ( 1.149 4.012 0.673) 4.227 5.150 ( 6.379 -0.440 -6.321) 8.992 5.399 ( -21.303 4.264 1.076) 21.752 5.528 ( 2.963 -3.452 1.439) 4.771 5.652 ( -1.001 -1.084 -0.009) 1.475 5.875 ( 1.078 -1.492 0.857) 2.031 5.989 ( -0.881 -8.300 4.379) 9.426 6.159 ( -4.709 -12.837 5.109) 14.596 6.439 ( -0.030 -15.023 1.002) 15.056 6.972 ( 3.186 -3.983 -5.993) 7.870 6.988 ( -0.932 -7.818 0.046) 7.873 7.256 ( 6.005 -3.330 -8.731) 11.107 7.618 ( 5.103 -1.775 -4.331) 6.924 7.739 ( -0.654 3.212 6.183) 6.998 8.368 ( -8.675 -4.003 9.464) 13.448 8.965 ( 0.720 -1.322 -5.461) 5.665 9.194 ( -2.736 -16.056 0.280) 16.289 9.313 ( -8.376 -0.577 8.179) 11.721 9.699 ( 0.868 -14.563 2.094) 14.738 9.785 ( 7.233 -10.407 -11.992) 17.448 9.998 ( -2.604 4.140 1.626) 5.154 10.197 ( -6.076 -4.177 -3.064) 7.985 10.828 ( -2.133 -5.364 -8.845) 10.562 11.004 ( 3.137 -16.172 7.753) 18.206 11.479 ( 0.072 -7.326 4.394) 8.543 11.945 ( -0.649 0.692 0.393) 1.027 12.323 ( 6.969 2.052 -4.490) 8.541 12.743 ( 4.092 3.773 0.432) 5.583 13.033 ( -4.508 9.399 -1.316) 10.507 13.721 ( -2.412 10.154 6.366) 12.225 14.340 ( -1.453 12.989 -1.893) 13.206 14.615 ( -3.145 1.744 -0.910) 3.709 14.810 ( 0.095 -8.205 -2.661) 8.626 15.268 ( 1.966 5.769 1.447) 6.264 16.748 ( 0.639 -15.886 3.148) 16.208 16.985 ( 2.631 -25.519 -0.314) 25.656 17.697 ( 13.173 6.125 -5.886) 15.674 18.766 ( -2.563 21.291 -15.275) 26.329 20.201 ( -3.488 0.614 -0.784) 3.627 21.068 ( 2.991 10.911 -1.221) 11.379 23.307 ( -0.012 1.523 5.441) 5.650 23.502 ( -5.971 3.507 8.775) 11.179 ======================= Grid point 141 (62/172) ======================= q-point: ( 0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -0.292 -10.184 0.532) 10.202 2.454 ( -2.982 -6.651 -7.580) 10.515 2.665 ( 6.750 -9.927 2.504) 12.263 2.833 ( -5.065 -2.375 1.093) 5.700 2.904 ( -1.691 4.981 -0.532) 5.287 2.997 ( -0.835 5.670 -3.463) 6.697 3.118 ( 7.892 -0.502 -5.228) 9.480 3.293 ( 7.040 -4.825 -7.145) 11.131 3.324 ( -0.653 4.216 2.623) 5.008 3.570 ( -3.119 8.177 -2.096) 8.999 3.662 ( 4.208 0.587 6.498) 7.763 3.795 ( -0.287 -0.787 8.098) 8.141 3.906 ( -1.773 4.249 3.452) 5.755 4.214 ( 1.147 -3.514 -1.583) 4.021 4.390 ( -8.610 -2.240 -7.113) 11.390 4.652 ( 2.779 -4.017 7.293) 8.777 4.699 ( 10.684 0.448 3.128) 11.142 4.887 ( 0.671 -5.151 -0.346) 5.206 5.023 ( -0.402 8.195 1.377) 8.320 5.189 ( -11.600 -1.681 -3.482) 12.228 5.208 ( -1.998 -1.303 2.960) 3.802 5.598 ( 3.482 -2.664 -2.090) 4.857 5.701 ( 2.968 0.745 3.227) 4.448 5.843 ( -1.670 0.190 0.259) 1.701 6.146 ( 0.593 -6.618 1.981) 6.933 6.383 ( -4.724 -14.014 3.092) 15.108 6.605 ( 4.227 0.295 -0.455) 4.262 7.051 ( 4.456 -3.280 -2.047) 5.899 7.142 ( -3.005 -8.411 -1.541) 9.064 7.391 ( 4.958 -10.067 -6.932) 13.190 7.503 ( -2.934 4.100 2.332) 5.555 7.883 ( 2.762 -8.026 -0.113) 8.488 8.391 ( -8.274 -4.056 8.376) 12.453 8.944 ( 2.851 1.465 -3.957) 5.092 9.210 ( -5.251 1.407 5.211) 7.531 9.608 ( 4.267 -20.919 1.021) 21.374 9.871 ( -4.705 -0.110 3.206) 5.695 9.988 ( 7.439 -8.716 -9.976) 15.193 10.062 ( 0.303 -16.584 -1.294) 16.637 10.226 ( -5.167 -5.583 -5.330) 9.289 10.864 ( -0.576 -3.361 -11.747) 12.232 11.299 ( 2.712 -11.036 11.207) 15.960 11.625 ( 0.191 -7.603 3.839) 8.519 11.855 ( -3.044 7.937 4.348) 9.548 12.426 ( 5.032 -8.973 -4.954) 11.418 12.707 ( 2.055 3.470 1.746) 4.394 12.819 ( -4.598 8.775 -2.182) 10.144 13.564 ( -1.246 7.293 5.322) 9.114 14.077 ( 0.214 14.716 -1.022) 14.753 14.473 ( -3.235 10.800 -2.124) 11.472 14.984 ( -0.344 -11.994 -0.072) 12.000 15.277 ( 0.407 -5.034 0.512) 5.077 16.903 ( 1.757 3.526 5.828) 7.034 17.396 ( 7.455 -13.279 -5.397) 16.156 17.791 ( 6.565 -11.350 -2.204) 13.296 18.307 ( -7.596 19.182 -11.403) 23.572 20.179 ( -0.776 -0.259 -2.403) 2.538 20.873 ( 2.464 12.812 -2.267) 13.243 23.286 ( -0.906 1.971 6.281) 6.645 23.428 ( -3.499 2.319 5.786) 7.149 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 -0.70 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.372 6.783 0.736) 6.833 2.532 ( -6.470 -11.143 -8.629) 15.508 2.674 ( 3.062 10.527 0.375) 10.970 2.771 ( 1.404 6.549 0.844) 6.751 2.912 ( -0.864 -8.388 1.102) 8.504 3.023 ( 0.851 -7.277 -0.236) 7.330 3.155 ( 0.454 2.290 0.120) 2.338 3.339 ( 5.298 3.029 -6.398) 8.842 3.365 ( 5.695 -7.792 -6.372) 11.565 3.424 ( -4.322 3.271 -0.979) 5.507 3.639 ( 2.869 7.504 5.500) 9.736 3.785 ( -4.088 2.298 4.405) 6.434 3.934 ( 1.671 -4.504 4.619) 6.665 4.281 ( -5.334 -4.711 0.077) 7.117 4.318 ( 3.306 2.386 -9.569) 10.401 4.691 ( -9.225 -2.287 8.535) 12.774 4.780 ( 3.165 -2.415 6.448) 7.578 4.834 ( 0.186 12.589 2.625) 12.861 4.945 ( -2.925 -3.230 0.001) 4.358 5.232 ( 4.280 -4.991 -2.353) 6.983 5.264 ( 0.592 -3.052 3.580) 4.741 5.619 ( -1.391 6.851 0.263) 6.995 5.682 ( 3.472 -3.361 -2.922) 5.647 5.881 ( -0.737 -3.738 -2.696) 4.668 6.228 ( -0.009 -2.186 2.149) 3.066 6.450 ( -1.285 5.688 -3.215) 6.659 6.649 ( -0.691 -7.387 4.662) 8.762 7.086 ( 2.730 2.154 -0.739) 3.556 7.143 ( -0.700 4.933 2.577) 5.610 7.536 ( 3.178 -5.433 1.353) 6.438 7.612 ( -0.545 -11.094 -4.730) 12.073 8.017 ( -1.374 -7.349 -0.689) 7.508 8.411 ( -7.658 -3.246 6.481) 10.544 8.941 ( 4.183 1.607 -4.772) 6.547 9.202 ( 0.870 -1.406 6.185) 6.403 9.803 ( -1.779 2.280 4.132) 5.043 9.981 ( 3.123 -13.692 -2.663) 14.294 10.121 ( 5.039 -2.617 -1.572) 5.892 10.234 ( -4.325 -8.834 -16.671) 19.357 10.423 ( 2.274 -16.960 -0.540) 17.120 10.898 ( -0.409 -4.264 -12.135) 12.869 11.435 ( 0.245 0.587 11.666) 11.683 11.661 ( -2.294 9.195 6.681) 11.595 11.760 ( -0.047 -2.708 4.430) 5.193 12.504 ( -0.370 4.301 -2.797) 5.144 12.652 ( -1.984 3.471 3.702) 5.449 12.852 ( 1.881 -17.350 -3.671) 17.834 13.465 ( -0.365 5.601 3.935) 6.855 13.892 ( 1.568 5.153 1.680) 5.642 14.216 ( -3.064 14.156 -3.994) 15.025 15.225 ( 0.982 -15.394 1.268) 15.477 15.425 ( 0.506 -10.922 -0.497) 10.945 16.699 ( 1.397 19.777 3.100) 20.067 17.319 ( 4.292 27.387 -6.657) 28.509 17.949 ( -5.707 -7.857 -1.651) 9.850 18.327 ( 2.210 -23.188 -5.120) 23.849 20.179 ( -0.193 -0.873 -3.866) 3.968 20.680 ( 3.135 10.292 -3.208) 11.227 23.254 ( -1.621 2.015 5.569) 6.140 23.399 ( -2.030 0.116 5.812) 6.158 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 6.647 17.554 5.574) 19.581 2.415 ( 2.848 19.686 4.366) 20.365 2.684 ( -4.271 -12.817 -6.858) 15.151 2.771 ( 2.267 -1.464 -4.825) 5.528 3.013 ( -2.216 -4.993 -2.054) 5.836 3.140 ( 0.247 -4.184 0.894) 4.286 3.179 ( -0.035 -5.529 0.538) 5.555 3.271 ( 1.327 5.667 -4.050) 7.091 3.370 ( -3.499 -0.204 -1.879) 3.977 3.527 ( 0.631 4.487 -1.903) 4.915 3.532 ( 3.191 -4.836 -0.855) 5.857 3.731 ( -5.370 -0.795 2.327) 5.906 3.991 ( -2.767 -0.336 3.162) 4.216 4.219 ( 3.941 3.676 -10.508) 11.809 4.360 ( -1.370 3.070 2.356) 4.105 4.613 ( 2.439 8.565 3.668) 9.631 4.732 ( -4.635 -4.272 12.518) 14.016 4.834 ( -1.959 -1.965 7.189) 7.706 5.004 ( 2.119 -3.206 -1.806) 4.247 5.259 ( 4.701 3.694 0.666) 6.016 5.346 ( 1.118 -0.928 -0.804) 1.661 5.473 ( -3.193 5.984 -5.209) 8.552 5.761 ( 3.388 -2.218 0.283) 4.059 5.939 ( 1.576 -4.729 -7.294) 8.835 6.214 ( -3.005 3.163 1.554) 4.631 6.339 ( 0.819 3.896 0.721) 4.046 6.735 ( -2.723 -1.525 -0.904) 3.249 7.049 ( -3.073 1.355 5.893) 6.783 7.077 ( 5.033 4.142 4.415) 7.873 7.631 ( 3.259 -0.543 0.484) 3.340 7.695 ( -1.863 -1.073 -4.058) 4.592 8.097 ( -2.500 -2.331 -0.034) 3.418 8.416 ( -6.497 -2.279 6.958) 9.789 8.933 ( 6.228 1.994 -5.579) 8.596 9.271 ( 1.395 -2.781 3.899) 4.988 9.773 ( -4.344 -0.952 3.413) 5.606 10.012 ( -0.885 4.679 -6.883) 8.370 10.230 ( 2.805 -2.018 -5.152) 6.204 10.347 ( 6.877 -5.980 -9.174) 12.931 10.740 ( -0.175 -18.303 -1.689) 18.382 10.928 ( -0.577 -1.021 -9.394) 9.467 11.341 ( -4.380 8.096 5.653) 10.802 11.497 ( 1.735 10.032 9.285) 13.779 11.783 ( -0.734 1.730 5.105) 5.440 12.422 ( -2.257 4.366 0.820) 4.983 12.576 ( 1.145 3.948 3.231) 5.228 13.222 ( -0.492 -20.616 -3.232) 20.873 13.389 ( -0.530 1.565 3.986) 4.315 13.913 ( 1.603 5.560 -3.608) 6.819 13.988 ( -2.842 -3.040 2.592) 4.903 15.515 ( 1.295 -13.840 1.426) 13.973 15.650 ( 1.943 -14.154 -1.869) 14.408 16.330 ( 0.601 22.085 1.243) 22.128 16.769 ( 3.055 31.310 -5.353) 31.910 17.990 ( -2.540 2.322 0.379) 3.462 18.741 ( -0.278 -22.074 -7.110) 23.192 20.190 ( -1.555 -2.415 -4.158) 5.053 20.578 ( 4.493 3.532 -4.086) 7.026 23.224 ( -1.366 1.142 4.470) 4.812 23.414 ( -2.248 -1.972 7.679) 8.241 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 15.784 19.307 7.571) 26.061 2.097 ( 5.349 21.372 8.118) 23.479 2.779 ( 0.711 1.889 -5.213) 5.590 2.869 ( -3.409 -12.914 -4.745) 14.174 3.048 ( 3.373 1.395 -5.463) 6.570 3.157 ( -1.984 2.075 -4.376) 5.234 3.201 ( -3.452 -0.973 -0.995) 3.722 3.289 ( 1.224 -7.090 -0.317) 7.202 3.373 ( -2.788 -4.582 -0.965) 5.450 3.458 ( -2.372 1.959 -4.985) 5.858 3.617 ( -0.391 -2.608 1.386) 2.979 3.719 ( -4.082 -0.691 3.476) 5.406 3.942 ( -5.161 1.310 2.638) 5.942 4.104 ( 0.875 21.596 10.653) 24.097 4.214 ( 2.705 -1.705 -8.727) 9.294 4.616 ( 3.053 -2.257 -0.671) 3.856 4.825 ( -1.064 1.436 3.874) 4.267 4.861 ( 4.334 -2.401 10.515) 11.624 5.052 ( 1.593 -1.486 -2.555) 3.358 5.206 ( -0.447 5.570 -1.048) 5.685 5.299 ( 0.854 2.041 -1.906) 2.920 5.363 ( -1.270 3.792 -4.740) 6.201 5.791 ( 4.160 3.058 3.472) 6.222 6.040 ( 1.197 -6.898 -8.503) 11.015 6.177 ( 1.897 -1.100 -1.579) 2.702 6.286 ( -1.644 3.174 1.042) 3.723 6.662 ( -3.243 5.713 -0.029) 6.569 7.045 ( 0.620 0.482 6.302) 6.351 7.072 ( 1.662 1.834 5.814) 6.319 7.572 ( -0.188 8.518 0.803) 8.557 7.638 ( 0.873 6.347 -1.509) 6.582 8.037 ( -4.865 4.861 -1.204) 6.982 8.433 ( -5.244 -3.234 8.736) 10.690 8.960 ( 8.698 0.242 -5.224) 10.149 9.312 ( 0.101 -0.598 -0.339) 0.695 9.764 ( -6.945 -1.539 0.349) 7.122 9.880 ( 1.331 7.824 -6.603) 10.324 10.202 ( 2.624 5.435 -6.187) 8.642 10.448 ( 3.952 -2.281 -5.175) 6.900 10.702 ( -10.814 14.033 -1.323) 17.766 11.069 ( 5.002 -5.015 4.820) 8.567 11.259 ( -3.870 -3.911 -7.013) 8.913 11.417 ( 6.230 1.010 5.457) 8.343 11.728 ( -2.104 3.835 6.961) 8.221 12.251 ( 0.892 13.889 5.354) 14.912 12.603 ( 1.902 -3.686 -1.899) 4.562 13.353 ( 0.320 3.371 -5.451) 6.417 13.436 ( -8.153 -5.127 4.491) 10.626 13.908 ( -1.282 -14.285 -0.709) 14.360 14.193 ( 1.201 -13.114 4.784) 14.011 15.588 ( -5.614 5.071 -3.075) 8.166 15.730 ( -7.738 13.836 1.673) 15.941 16.197 ( 11.756 -11.348 -1.449) 16.403 16.442 ( 17.017 10.275 -3.523) 20.188 17.803 ( -1.779 16.746 1.265) 16.887 18.999 ( -4.941 -11.921 -13.935) 18.993 20.234 ( -3.004 -5.716 -2.032) 6.769 20.609 ( 4.954 -3.564 -3.800) 7.190 23.216 ( -0.653 0.019 3.901) 3.956 23.465 ( -3.742 -4.141 10.429) 11.828 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 15.305 0.000 12.226) 19.588 2.101 ( 7.513 0.000 16.187) 17.846 2.428 ( -6.093 -0.000 -6.653) 9.021 2.445 ( -14.052 -0.000 1.815) 14.169 2.825 ( 13.600 0.000 -10.594) 17.239 2.898 ( 13.033 0.000 -14.284) 19.336 3.362 ( -2.351 -0.000 4.333) 4.930 3.430 ( -6.954 -0.000 6.607) 9.593 3.618 ( 3.812 0.000 -1.223) 4.004 3.740 ( -14.356 -0.000 8.628) 16.749 3.753 ( 4.231 0.000 0.319) 4.243 3.932 ( -4.845 -0.000 0.758) 4.904 4.010 ( -0.113 -0.000 -11.157) 11.158 4.023 ( -1.404 -0.000 -2.733) 3.073 4.104 ( -5.562 -0.000 -0.586) 5.592 4.402 ( 33.697 0.000 6.841) 34.384 4.592 ( 0.787 0.000 9.308) 9.341 4.887 ( 3.509 0.000 -5.697) 6.691 5.163 ( 12.299 0.000 -10.740) 16.328 5.174 ( 4.204 0.000 -2.067) 4.685 5.469 ( -4.656 -0.000 7.563) 8.881 5.523 ( -21.784 -0.000 -6.455) 22.721 5.531 ( 4.574 0.000 -0.407) 4.592 5.694 ( -2.252 -0.000 0.882) 2.418 5.799 ( -9.950 -0.000 12.256) 15.787 5.947 ( -7.528 -0.000 2.675) 7.989 6.185 ( 0.438 0.000 5.789) 5.805 6.823 ( 0.156 0.000 -0.567) 0.588 6.893 ( 5.634 0.000 -10.371) 11.802 7.275 ( 8.279 0.000 -5.921) 10.178 7.372 ( 6.450 0.000 -0.853) 6.506 8.056 ( -3.987 -0.000 -2.982) 4.979 8.216 ( -9.593 -0.000 9.438) 13.457 8.633 ( 5.540 0.000 -0.882) 5.610 9.228 ( 1.060 0.000 4.263) 4.393 9.311 ( -9.161 -0.000 0.820) 9.198 9.358 ( -10.591 -0.000 7.146) 12.777 9.508 ( 5.734 0.000 -11.495) 12.846 10.133 ( -2.960 -0.000 -3.583) 4.648 10.320 ( -2.382 -0.000 4.589) 5.170 10.392 ( 1.065 0.000 0.826) 1.348 10.761 ( 2.645 0.000 -1.978) 3.303 11.338 ( -0.424 -0.000 5.492) 5.508 11.921 ( 1.992 0.000 -4.283) 4.723 12.453 ( 8.816 0.000 -5.283) 10.278 12.826 ( 3.216 0.000 1.420) 3.515 13.217 ( -3.186 -0.000 -1.042) 3.352 13.967 ( -4.210 -0.000 8.233) 9.247 14.465 ( 3.154 0.000 0.309) 3.169 14.572 ( -2.152 -0.000 -0.167) 2.158 14.778 ( 0.137 0.000 -12.482) 12.482 15.578 ( 1.065 0.000 5.070) 5.180 16.278 ( -0.235 -0.000 -2.758) 2.768 16.383 ( -0.811 -0.000 2.440) 2.571 17.864 ( 12.187 0.000 -4.481) 12.985 19.185 ( 2.946 0.000 -19.399) 19.621 20.219 ( -6.117 -0.000 0.332) 6.126 21.278 ( 3.657 0.000 -0.181) 3.661 23.337 ( 0.474 0.000 5.183) 5.204 23.578 ( -8.233 -0.000 11.422) 14.080 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.425 -10.103 6.855) 12.986 2.145 ( -8.579 -4.393 4.793) 10.764 2.436 ( 7.385 -2.445 0.118) 7.780 2.459 ( -8.581 -10.225 3.705) 13.854 2.926 ( 12.728 -1.695 -9.116) 15.748 3.027 ( 13.680 -5.282 -12.481) 19.257 3.283 ( -7.208 7.890 3.410) 11.218 3.395 ( -1.699 -0.216 8.766) 8.932 3.456 ( -1.507 10.823 -3.828) 11.579 3.680 ( -4.932 2.771 4.580) 7.279 3.766 ( 1.388 0.920 3.436) 3.818 3.899 ( -4.690 2.630 1.173) 5.504 4.019 ( -1.254 -0.420 -2.783) 3.081 4.040 ( 1.244 -3.218 -0.535) 3.492 4.135 ( -4.726 -9.822 -9.499) 14.458 4.604 ( 5.211 1.172 7.148) 8.923 4.683 ( 26.234 -0.570 4.322) 26.594 4.869 ( -0.934 1.685 -2.615) 3.248 5.143 ( -11.832 1.373 -1.610) 12.020 5.202 ( -0.897 0.254 -3.040) 3.179 5.278 ( -9.900 3.757 -2.934) 10.988 5.527 ( 7.318 -0.670 3.900) 8.320 5.647 ( 0.275 -0.685 0.750) 1.052 5.741 ( 4.861 -11.919 -2.174) 13.055 5.831 ( -6.796 -7.830 9.975) 14.387 6.014 ( -2.932 -8.533 2.664) 9.408 6.197 ( -2.942 -4.274 6.201) 8.085 6.854 ( -1.167 -4.234 -0.632) 4.437 6.947 ( 5.380 -2.816 -9.920) 11.631 7.289 ( 6.828 1.824 -6.124) 9.351 7.514 ( 3.927 -9.446 -3.239) 10.730 7.889 ( -3.366 10.343 -0.401) 10.884 8.235 ( -9.003 -4.940 7.980) 13.005 8.790 ( 3.154 -13.047 -1.169) 13.473 9.128 ( -2.275 5.688 1.378) 6.279 9.292 ( -3.672 1.771 8.517) 9.443 9.418 ( -4.417 -12.942 0.296) 13.678 9.644 ( 7.346 -10.393 -8.768) 15.455 10.114 ( -3.567 -0.189 -1.581) 3.907 10.132 ( 0.500 9.786 2.791) 10.189 10.629 ( -1.269 -14.288 -1.077) 14.385 10.828 ( 2.692 -6.913 0.796) 7.462 11.384 ( -0.619 -4.325 5.280) 6.853 11.936 ( 1.475 -0.767 -2.823) 3.276 12.445 ( 5.101 5.331 -4.350) 8.565 12.824 ( 1.402 2.487 1.076) 3.051 13.142 ( -2.238 5.714 -1.329) 6.279 13.882 ( -2.221 8.027 6.858) 10.789 14.481 ( 0.587 3.075 0.042) 3.131 14.577 ( -1.840 -1.855 -0.539) 2.668 14.736 ( 2.281 0.324 -9.029) 9.318 15.456 ( 0.332 11.588 3.274) 12.046 16.451 ( 0.504 -16.854 0.064) 16.861 16.567 ( -0.649 -19.995 1.204) 20.042 17.879 ( 7.016 5.350 -5.521) 10.408 19.043 ( 1.203 13.472 -17.041) 21.756 20.178 ( -3.226 0.168 -0.499) 3.268 21.246 ( 2.962 6.506 -0.451) 7.162 23.344 ( 0.206 1.076 6.596) 6.687 23.523 ( -6.350 2.081 8.257) 10.622 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -14.880 -9.384 -4.733) 18.218 2.296 ( -4.153 -12.702 3.596) 13.839 2.584 ( 9.974 -5.309 -1.465) 11.393 2.641 ( 1.461 -11.555 3.567) 12.181 3.026 ( 7.419 -1.599 -7.708) 10.817 3.061 ( -3.688 10.500 1.348) 11.210 3.208 ( 8.341 -5.904 -8.189) 13.095 3.256 ( 0.814 8.349 -2.740) 8.825 3.412 ( 0.037 2.948 8.681) 9.168 3.656 ( -0.013 -2.066 5.929) 6.279 3.699 ( -7.542 6.198 2.036) 9.972 3.826 ( 4.950 2.740 5.624) 7.978 3.966 ( -2.417 4.339 -1.444) 5.172 4.146 ( 0.059 -6.017 -0.312) 6.025 4.231 ( -4.676 -7.143 -10.218) 13.316 4.638 ( 3.807 0.138 6.008) 7.114 4.800 ( -9.906 2.278 -0.937) 10.208 4.871 ( 17.204 -0.109 -1.172) 17.244 4.967 ( -23.622 -4.031 2.176) 24.062 5.146 ( 1.005 4.627 -0.917) 4.823 5.254 ( 8.429 1.286 -0.317) 8.532 5.602 ( 5.172 -0.196 0.898) 5.253 5.675 ( 0.968 -3.792 3.507) 5.255 5.908 ( 1.568 3.244 0.836) 3.699 5.987 ( -2.711 -11.288 6.033) 13.083 6.132 ( 0.284 -11.969 2.273) 12.186 6.444 ( -0.657 -19.301 3.158) 19.569 6.949 ( -1.689 -7.645 -2.251) 8.146 7.005 ( 2.786 -3.297 -5.660) 7.118 7.312 ( 5.322 -0.827 -8.113) 9.738 7.635 ( 0.561 2.613 -1.122) 2.899 7.755 ( -1.997 -2.591 0.248) 3.281 8.268 ( -7.340 -4.503 7.890) 11.680 9.020 ( 7.010 2.191 -0.088) 7.345 9.115 ( -4.452 -14.595 -0.393) 15.264 9.298 ( -0.340 -5.657 7.694) 9.555 9.653 ( -3.181 -16.465 -4.198) 17.287 9.891 ( 9.212 -11.297 -7.903) 16.581 9.982 ( -1.696 4.923 3.423) 6.231 10.125 ( -0.490 -1.546 -1.120) 1.971 10.762 ( -1.315 -5.279 -8.380) 9.991 11.091 ( 3.008 -16.653 8.071) 18.748 11.496 ( -0.586 -7.537 4.589) 8.844 11.928 ( -1.541 2.496 -0.462) 2.970 12.386 ( 3.590 1.881 -3.490) 5.348 12.767 ( -2.638 4.046 0.579) 4.865 12.993 ( 1.498 9.717 -1.172) 9.902 13.717 ( -1.589 9.901 5.215) 11.303 14.324 ( 0.074 13.061 -1.835) 13.190 14.567 ( -1.128 2.996 -1.856) 3.701 14.809 ( 0.616 -7.984 -2.434) 8.369 15.300 ( 1.124 5.881 2.049) 6.328 16.787 ( 1.773 -17.322 5.525) 18.268 16.993 ( -0.951 -27.377 -1.054) 27.414 17.792 ( 1.656 5.171 -6.789) 8.694 18.673 ( -0.282 24.254 -15.495) 28.783 20.163 ( -0.469 -0.214 -1.436) 1.526 21.107 ( 2.737 11.348 -0.722) 11.696 23.332 ( -0.602 2.087 7.707) 8.007 23.454 ( -4.052 2.492 5.401) 7.197 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -14.262 -13.886 -6.344) 20.892 2.460 ( -2.067 -7.928 -1.233) 8.285 2.729 ( 2.152 -6.476 -4.429) 8.136 2.827 ( 3.113 0.684 3.012) 4.385 2.913 ( 3.155 -1.574 0.323) 3.541 2.978 ( 0.816 9.664 -3.349) 10.261 3.213 ( 5.621 -1.279 -1.775) 6.032 3.327 ( 0.918 1.733 0.847) 2.136 3.372 ( 3.953 -1.425 -2.831) 5.067 3.498 ( -4.216 8.212 -0.047) 9.231 3.733 ( -1.235 1.572 2.263) 3.020 3.836 ( 0.571 2.928 7.232) 7.823 3.890 ( -1.727 -2.018 7.083) 7.565 4.173 ( -2.852 -1.782 -2.554) 4.222 4.314 ( 2.575 -4.098 -7.526) 8.948 4.598 ( -14.932 0.492 -0.816) 14.962 4.716 ( -5.729 -2.264 8.113) 10.187 4.929 ( 2.742 -2.188 1.486) 3.810 5.015 ( -0.920 0.299 -0.046) 0.969 5.089 ( 4.022 -2.241 -0.143) 4.607 5.314 ( 10.021 0.892 -0.871) 10.098 5.646 ( 3.143 -1.632 0.471) 3.572 5.736 ( -1.444 3.190 4.952) 6.065 5.812 ( -2.129 0.630 -0.977) 2.425 6.163 ( -0.021 -7.815 3.074) 8.398 6.338 ( -1.096 -9.420 -0.688) 9.509 6.659 ( 2.243 -1.950 2.729) 4.034 7.034 ( -3.131 -5.411 -1.885) 6.529 7.172 ( 4.304 -10.511 -0.781) 11.385 7.347 ( -1.956 -3.682 -6.834) 8.005 7.589 ( 7.255 1.223 2.965) 7.932 7.833 ( -7.364 -8.627 -3.111) 11.761 8.308 ( -5.625 -3.499 7.545) 10.040 9.022 ( 8.430 2.480 -1.980) 9.007 9.212 ( 1.299 -0.542 5.311) 5.495 9.612 ( -4.218 -20.957 1.334) 21.419 9.819 ( -4.331 -6.908 -2.788) 8.617 9.980 ( 1.581 -8.417 -2.902) 9.043 10.132 ( 9.536 -3.194 -6.601) 12.029 10.195 ( 0.882 -11.343 -1.435) 11.467 10.807 ( -0.054 -3.625 -10.879) 11.467 11.392 ( 2.416 -10.833 11.378) 15.895 11.640 ( -0.616 -7.600 3.920) 8.574 11.811 ( -4.638 7.162 2.848) 8.995 12.461 ( 1.541 -8.220 -3.817) 9.193 12.630 ( -6.962 6.870 -0.831) 9.816 12.876 ( 7.716 6.512 0.153) 10.098 13.567 ( -1.345 6.744 4.700) 8.329 14.077 ( -0.095 13.691 -0.328) 13.695 14.420 ( -1.274 11.648 -3.820) 12.324 14.994 ( 1.533 -12.654 0.233) 12.748 15.308 ( 2.824 -4.158 1.314) 5.195 16.954 ( 0.425 4.920 7.958) 9.366 17.414 ( -1.837 -19.821 -4.328) 20.371 17.770 ( -8.975 -4.289 -2.520) 10.262 18.232 ( 6.673 16.331 -15.449) 23.449 20.161 ( 0.138 0.046 -2.656) 2.660 20.913 ( 3.546 12.860 -1.251) 13.398 23.297 ( -1.756 2.723 7.048) 7.758 23.408 ( -1.937 1.333 4.880) 5.417 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -10.678 -14.704 -5.221) 18.907 2.513 ( 3.363 1.337 -2.044) 4.156 2.748 ( 5.988 13.397 1.518) 14.752 2.785 ( 1.311 2.650 -3.730) 4.759 2.844 ( -6.823 -6.808 -1.883) 9.820 3.074 ( 3.963 -6.151 1.625) 7.495 3.162 ( 0.514 5.866 3.832) 7.026 3.353 ( -1.390 2.008 -1.879) 3.081 3.378 ( 1.126 0.744 -3.243) 3.513 3.431 ( 3.388 -3.015 -5.885) 7.430 3.658 ( -4.535 -0.521 -1.152) 4.708 3.716 ( -2.683 10.354 6.098) 12.313 3.974 ( 0.884 -1.575 4.606) 4.947 4.250 ( -2.729 -8.899 2.239) 9.574 4.298 ( 1.246 4.171 -11.797) 12.574 4.581 ( -6.854 -7.610 9.127) 13.719 4.743 ( -5.390 -3.745 8.140) 10.456 4.885 ( 1.597 11.311 3.868) 12.061 5.017 ( 8.236 -1.556 -1.099) 8.453 5.241 ( -2.331 -8.902 1.447) 9.316 5.367 ( 9.287 1.330 -2.612) 9.739 5.574 ( -4.016 9.140 1.063) 10.040 5.720 ( 2.419 -3.577 -1.520) 4.578 5.846 ( -2.270 -3.884 -2.695) 5.244 6.242 ( 0.471 0.120 1.670) 1.739 6.395 ( -2.626 0.321 -3.641) 4.500 6.691 ( 2.446 -1.203 5.597) 6.225 7.045 ( -4.464 0.271 1.826) 4.831 7.226 ( 6.507 5.322 -0.897) 8.454 7.492 ( -4.510 -12.548 -1.591) 13.429 7.678 ( 4.516 -2.419 -0.024) 5.123 7.951 ( -4.093 -10.726 -2.387) 11.726 8.332 ( -5.461 -2.556 7.947) 9.976 9.042 ( 10.474 3.429 -3.796) 11.657 9.250 ( 1.194 -1.412 4.338) 4.715 9.690 ( -11.438 -2.975 0.789) 11.845 9.987 ( -2.304 -5.681 -7.360) 9.579 10.145 ( 3.627 -8.229 -0.343) 8.999 10.279 ( 11.732 -6.974 -5.061) 14.556 10.437 ( 1.435 -16.275 -4.816) 17.033 10.848 ( 0.940 -3.696 -11.343) 11.967 11.486 ( -0.069 5.157 9.875) 11.141 11.644 ( -3.942 5.975 7.100) 10.082 11.768 ( -1.671 -3.829 4.549) 6.177 12.473 ( -3.976 4.417 -0.621) 5.976 12.596 ( -2.388 -5.019 -0.056) 5.558 12.933 ( 7.871 -7.957 -2.047) 11.377 13.473 ( -0.715 5.326 3.809) 6.587 13.913 ( -0.426 3.035 2.864) 4.194 14.155 ( -1.540 15.457 -5.259) 16.400 15.276 ( 4.766 -16.384 1.233) 17.107 15.462 ( 4.026 -9.400 -0.233) 10.229 16.707 ( -2.800 20.198 3.480) 20.686 17.266 ( -7.828 25.744 -5.035) 27.374 17.858 ( -3.564 -14.545 -3.332) 15.342 18.366 ( 6.452 -17.293 -6.679) 19.628 20.147 ( -1.282 0.176 -3.565) 3.792 20.737 ( 5.027 10.129 -2.748) 11.637 23.252 ( -1.739 2.135 5.584) 6.226 23.397 ( -1.565 -0.078 6.000) 6.202 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 7.247 6.914 2.106) 10.235 2.504 ( 7.435 16.034 2.568) 17.859 2.583 ( -3.669 -9.495 -1.540) 10.295 2.778 ( 1.955 -0.421 -6.433) 6.737 2.911 ( -9.555 -8.447 -2.018) 12.913 3.110 ( -2.329 -2.624 1.720) 3.907 3.204 ( 0.789 -2.347 2.457) 3.489 3.273 ( -0.927 3.986 -2.942) 5.040 3.336 ( 1.645 1.248 -4.310) 4.779 3.485 ( -4.216 2.454 -4.037) 6.332 3.572 ( 1.735 0.862 2.030) 2.806 3.676 ( -0.277 -1.958 -1.799) 2.673 3.954 ( -2.427 2.829 1.190) 3.913 4.212 ( 0.931 2.446 -9.516) 9.870 4.375 ( 1.130 -1.621 5.595) 5.934 4.670 ( 1.501 8.631 6.738) 11.052 4.735 ( -2.303 -5.733 10.695) 12.351 4.825 ( -3.753 -6.636 8.698) 11.566 5.088 ( 8.343 1.164 -2.432) 8.767 5.297 ( -6.461 1.385 -3.307) 7.389 5.347 ( 5.563 5.841 0.357) 8.074 5.432 ( 1.700 4.334 -4.486) 6.466 5.806 ( 1.644 -4.585 -0.530) 4.900 5.903 ( -2.455 -5.587 -4.739) 7.726 6.198 ( 1.239 2.975 -0.407) 3.248 6.341 ( -0.845 3.209 -0.154) 3.322 6.726 ( 1.426 1.595 1.985) 2.919 7.004 ( -5.513 0.077 6.027) 8.169 7.199 ( 7.544 3.485 -0.609) 8.332 7.578 ( -5.908 -2.395 -1.974) 6.674 7.726 ( 2.743 0.409 1.675) 3.240 8.050 ( -2.229 -1.768 -2.081) 3.526 8.357 ( -4.343 -2.710 9.415) 10.716 9.056 ( 10.597 3.069 -4.221) 11.813 9.285 ( -0.918 -1.536 1.045) 2.072 9.657 ( -10.513 -2.967 -0.416) 10.931 9.967 ( 0.319 2.729 -6.728) 7.268 10.245 ( 0.446 -1.672 -0.062) 1.731 10.412 ( 5.368 -2.217 -11.173) 12.592 10.724 ( 1.828 -6.457 -4.356) 8.001 10.945 ( 5.173 -12.368 -3.401) 13.831 11.305 ( -3.328 12.743 4.758) 14.004 11.538 ( -1.508 5.607 7.872) 9.782 11.785 ( -1.985 1.569 4.971) 5.578 12.411 ( 0.062 3.022 1.809) 3.522 12.598 ( -0.104 1.569 2.213) 2.715 13.203 ( 0.158 -15.186 -2.833) 15.449 13.387 ( -2.227 2.835 4.211) 5.543 13.877 ( -1.751 10.892 -5.763) 12.447 13.998 ( 0.808 -9.950 4.342) 10.887 15.545 ( 1.275 -5.704 0.845) 5.905 15.694 ( 4.113 -13.057 -1.529) 13.774 16.324 ( -2.193 17.939 1.541) 18.138 16.802 ( 3.801 18.918 -6.059) 20.225 17.971 ( 0.532 1.541 0.092) 1.633 18.672 ( -3.615 -16.047 -6.491) 17.684 20.136 ( -2.126 -2.082 -2.904) 4.158 20.645 ( 5.401 3.819 -4.996) 8.289 23.227 ( -1.075 0.870 4.886) 5.078 23.411 ( -2.413 -1.603 7.243) 7.801 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -11.116 -0.000 6.155) 12.706 2.001 ( -18.973 -0.000 -0.995) 18.999 2.358 ( 5.905 0.000 7.623) 9.642 2.498 ( 10.461 0.000 5.691) 11.908 2.995 ( 11.942 0.000 -7.614) 14.163 3.073 ( 16.480 0.000 -13.721) 21.444 3.312 ( -4.448 -0.000 3.908) 5.921 3.384 ( -5.859 -0.000 8.763) 10.541 3.563 ( -12.662 -0.000 7.849) 14.897 3.598 ( -3.244 -0.000 -7.113) 7.817 3.791 ( -1.035 -0.000 -0.316) 1.082 3.929 ( 5.198 0.000 3.102) 6.053 3.943 ( -0.552 -0.000 -14.210) 14.221 4.013 ( 0.765 0.000 0.084) 0.769 4.072 ( 2.343 0.000 1.381) 2.720 4.629 ( -1.257 -0.000 7.912) 8.011 4.866 ( -3.222 -0.000 -2.808) 4.274 4.903 ( 23.253 0.000 -3.173) 23.468 4.927 ( -33.698 -0.000 3.076) 33.838 5.198 ( -0.183 -0.000 -2.054) 2.063 5.332 ( 6.243 0.000 -5.483) 8.309 5.605 ( 3.369 0.000 2.555) 4.228 5.645 ( 16.169 0.000 2.110) 16.306 5.676 ( -0.851 -0.000 3.350) 3.456 5.738 ( -3.612 -0.000 9.436) 10.104 5.863 ( -3.535 -0.000 -0.292) 3.547 6.193 ( -4.070 -0.000 9.154) 10.018 6.811 ( -0.506 -0.000 -0.823) 0.966 6.936 ( 4.841 0.000 -10.352) 11.428 7.361 ( 5.215 0.000 -5.044) 7.255 7.413 ( -0.148 -0.000 -3.405) 3.408 7.947 ( -6.059 -0.000 -7.396) 9.561 8.141 ( -5.131 -0.000 10.210) 11.427 8.687 ( 0.053 0.000 -0.984) 0.985 9.215 ( -0.819 -0.000 0.083) 0.824 9.225 ( -2.892 -0.000 4.310) 5.191 9.376 ( 6.714 0.000 12.113) 13.849 9.550 ( 5.160 0.000 -9.378) 10.704 10.099 ( 0.586 0.000 -2.510) 2.578 10.324 ( 0.208 0.000 5.756) 5.760 10.397 ( -0.735 -0.000 0.214) 0.766 10.782 ( 0.995 0.000 -1.615) 1.897 11.350 ( -1.428 -0.000 5.739) 5.914 11.937 ( 2.115 0.000 -3.641) 4.211 12.516 ( 2.224 0.000 -4.255) 4.801 12.849 ( -1.562 -0.000 0.928) 1.817 13.178 ( -0.310 -0.000 -1.271) 1.308 13.963 ( -1.285 -0.000 7.733) 7.839 14.493 ( -0.391 -0.000 0.222) 0.449 14.550 ( 0.194 0.000 -0.206) 0.283 14.762 ( 4.455 0.000 -11.739) 12.556 15.587 ( -2.504 -0.000 4.501) 5.151 16.265 ( 0.340 0.000 -2.872) 2.892 16.386 ( -0.270 -0.000 2.519) 2.533 17.943 ( 0.040 0.000 -5.476) 5.476 19.137 ( 1.681 0.000 -18.577) 18.653 20.161 ( -0.869 -0.000 -0.345) 0.935 21.326 ( 2.699 0.000 -0.007) 2.699 23.374 ( 0.179 0.000 8.501) 8.503 23.510 ( -5.598 -0.000 6.617) 8.667 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -20.335 -4.649 -3.393) 21.134 1.972 ( -17.932 -13.354 4.801) 22.868 2.530 ( 10.729 -7.776 7.105) 15.035 2.607 ( 9.203 -2.181 2.428) 9.765 3.054 ( 7.410 0.675 -7.897) 10.850 3.182 ( 10.364 -1.922 -7.996) 13.230 3.209 ( -3.139 8.858 0.587) 9.416 3.366 ( -4.496 -0.045 3.113) 5.469 3.434 ( -0.689 2.417 2.969) 3.890 3.599 ( -7.851 -2.935 6.000) 10.308 3.734 ( -3.015 3.942 0.538) 4.992 3.953 ( 1.233 1.380 -5.910) 6.193 3.984 ( 5.198 -1.127 -4.354) 6.874 4.055 ( -1.133 -3.534 1.564) 4.027 4.087 ( 4.689 -1.427 -0.396) 4.918 4.640 ( -29.341 -0.293 1.586) 29.385 4.672 ( -4.774 -2.473 7.328) 9.089 4.816 ( -4.682 1.032 -2.365) 5.346 5.007 ( 11.632 3.204 -6.014) 13.481 5.182 ( -1.941 0.568 -2.458) 3.183 5.368 ( 11.085 1.684 -0.033) 11.212 5.656 ( 1.558 0.045 1.365) 2.072 5.662 ( 4.174 -0.179 6.402) 7.644 5.810 ( -0.924 -7.174 7.311) 10.284 5.866 ( 11.766 -9.465 -3.271) 15.451 6.001 ( 0.853 -11.065 3.084) 11.519 6.163 ( -6.089 -3.625 9.128) 11.556 6.837 ( -0.404 -3.546 -1.181) 3.759 6.969 ( 2.445 -2.307 -8.748) 9.372 7.342 ( 2.861 1.372 -5.000) 5.922 7.496 ( -4.265 -8.238 -3.021) 9.755 7.827 ( -3.325 5.785 -4.277) 7.925 8.174 ( -2.109 -3.662 8.247) 9.267 8.787 ( -3.065 -13.326 -0.935) 13.706 9.152 ( 5.443 4.254 2.303) 7.282 9.318 ( 2.133 -1.174 4.399) 5.028 9.424 ( 3.715 -4.518 1.772) 6.111 9.723 ( 6.525 -12.079 -3.818) 14.250 10.069 ( -1.354 5.057 -0.734) 5.287 10.176 ( 3.745 5.923 2.230) 7.354 10.606 ( -0.660 -10.975 -1.452) 11.090 10.869 ( 1.483 -10.655 2.166) 10.974 11.390 ( -1.793 -4.594 5.456) 7.355 11.941 ( 0.682 0.425 -3.470) 3.561 12.470 ( 0.735 4.549 -2.832) 5.409 12.801 ( -4.635 2.802 0.150) 5.418 13.137 ( 2.271 5.068 -0.878) 5.623 13.887 ( -1.176 8.645 5.896) 10.530 14.472 ( -1.590 3.207 -0.003) 3.579 14.584 ( 2.893 -1.528 -0.357) 3.292 14.734 ( 2.218 1.529 -9.053) 9.445 15.456 ( -1.993 10.014 3.342) 10.744 16.461 ( 0.634 -19.258 -0.146) 19.269 16.568 ( 0.225 -18.917 1.988) 19.022 17.860 ( -6.157 4.820 -6.029) 9.874 18.977 ( 0.568 13.958 -20.461) 24.775 20.166 ( 2.138 0.091 -0.221) 2.152 21.288 ( 2.529 6.636 0.446) 7.116 23.380 ( -0.961 1.552 9.812) 9.981 23.472 ( -3.345 1.537 5.104) 6.293 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -18.467 -11.879 -5.328) 22.595 2.141 ( -14.972 -18.383 3.406) 23.952 2.712 ( 7.452 -2.301 -5.026) 9.279 2.766 ( 8.213 -7.830 3.798) 11.966 3.016 ( -1.595 8.151 -1.303) 8.407 3.062 ( 0.689 0.026 -5.170) 5.216 3.267 ( 1.194 5.212 -2.130) 5.756 3.298 ( 7.057 -3.337 -4.234) 8.881 3.447 ( -1.101 2.378 7.558) 8.000 3.602 ( -5.171 6.605 4.010) 9.297 3.663 ( -3.792 -6.127 7.360) 10.300 3.866 ( -3.260 4.533 -6.135) 8.296 3.979 ( 6.196 5.300 2.549) 8.543 4.120 ( -1.411 -3.128 2.150) 4.050 4.212 ( 4.241 -7.717 -4.262) 9.783 4.411 ( -26.781 -2.099 1.413) 26.900 4.741 ( 4.334 2.326 1.707) 5.206 4.793 ( -4.943 -7.110 1.855) 8.856 5.015 ( 4.083 0.546 -2.809) 4.985 5.143 ( -0.938 1.254 -3.364) 3.710 5.417 ( 7.355 1.348 -2.276) 7.816 5.685 ( 5.834 1.323 2.127) 6.349 5.721 ( 2.651 -1.820 4.448) 5.489 5.886 ( -5.886 5.709 4.877) 9.540 5.992 ( 0.704 -9.592 4.501) 10.619 6.191 ( 5.430 -10.253 0.182) 11.603 6.455 ( 0.355 -21.136 4.378) 21.588 6.918 ( -0.776 -6.150 -1.992) 6.511 7.008 ( 0.393 -4.006 -4.689) 6.180 7.345 ( 3.292 0.126 -7.004) 7.740 7.575 ( -9.665 -7.748 -1.538) 12.482 7.716 ( -0.019 3.690 0.127) 3.692 8.251 ( 0.669 -2.793 7.931) 8.435 9.061 ( -0.662 -14.565 -1.486) 14.656 9.179 ( 10.976 -1.664 1.239) 11.171 9.349 ( 2.355 -2.213 6.818) 7.545 9.578 ( -3.285 -10.500 -5.493) 12.297 9.956 ( 1.288 -2.093 -3.984) 4.681 9.990 ( 2.369 -8.142 1.178) 8.561 10.185 ( 8.220 0.420 -1.513) 8.368 10.713 ( -0.442 -4.661 -6.217) 7.783 11.167 ( 2.151 -17.870 7.158) 19.370 11.500 ( -1.609 -7.955 4.871) 9.466 11.885 ( -3.375 4.752 -2.201) 6.231 12.414 ( 1.239 1.364 -0.803) 2.010 12.685 ( -5.819 4.926 -1.745) 7.821 13.053 ( 5.160 7.058 -0.170) 8.745 13.714 ( -1.588 10.098 4.465) 11.155 14.319 ( 0.421 12.961 -1.616) 13.068 14.564 ( 1.218 5.818 -3.040) 6.676 14.808 ( 0.973 -9.665 -1.428) 9.818 15.324 ( 0.578 3.636 2.403) 4.396 16.855 ( 2.936 -20.302 7.083) 21.702 16.952 ( -3.422 -23.063 -0.543) 23.322 17.683 ( -11.132 4.346 -6.060) 13.399 18.607 ( 2.329 21.838 -23.015) 31.812 20.179 ( 3.176 1.053 -0.777) 3.435 21.150 ( 2.643 11.159 0.678) 11.488 23.346 ( -2.869 2.706 7.841) 8.777 23.438 ( -0.586 2.016 6.325) 6.664 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -14.501 -17.110 -4.964) 22.972 2.336 ( -12.982 -15.217 0.130) 20.003 2.759 ( 5.296 0.892 -10.220) 11.545 2.849 ( -0.356 3.016 -1.278) 3.295 2.970 ( 2.091 0.172 1.683) 2.690 3.048 ( 9.434 2.234 -1.327) 9.786 3.272 ( 1.750 -5.047 0.637) 5.380 3.344 ( -0.896 4.555 3.792) 5.994 3.404 ( 3.414 1.972 -1.970) 4.407 3.438 ( -5.075 5.461 1.406) 7.586 3.621 ( -7.033 4.002 -6.497) 10.378 3.886 ( -0.314 1.994 7.681) 7.942 3.922 ( -1.068 -2.666 9.345) 9.776 4.104 ( -8.146 -0.675 -0.859) 8.219 4.331 ( 2.589 -0.293 -6.958) 7.429 4.391 ( -2.750 -10.508 5.275) 12.075 4.699 ( -2.640 1.345 1.242) 3.213 4.950 ( -0.746 -9.873 2.217) 10.146 5.030 ( 2.745 1.960 1.789) 3.819 5.132 ( 1.671 -1.529 -2.906) 3.684 5.435 ( 4.065 0.415 -2.652) 4.871 5.691 ( -6.323 6.639 2.869) 9.606 5.707 ( 1.061 0.250 1.667) 1.991 5.791 ( 2.649 0.571 0.765) 2.816 6.177 ( 0.359 -8.566 2.260) 8.866 6.338 ( 1.627 -3.299 -3.395) 5.006 6.709 ( 1.354 -4.609 7.397) 8.820 6.990 ( -1.621 -3.245 0.610) 3.678 7.184 ( -1.849 -16.728 -2.690) 17.044 7.328 ( 2.605 2.575 -7.572) 8.411 7.623 ( -8.422 -6.577 0.764) 10.713 7.748 ( 3.450 -6.182 0.566) 7.102 8.301 ( 0.096 -0.656 8.738) 8.764 9.166 ( 8.391 0.798 -2.861) 8.901 9.274 ( 5.676 1.144 2.815) 6.438 9.495 ( -10.334 -8.018 -0.873) 13.109 9.759 ( 1.014 -15.918 -3.249) 16.278 10.039 ( 4.665 -8.004 -0.641) 9.287 10.178 ( -2.168 -11.052 -3.413) 11.768 10.285 ( 13.009 -3.139 -4.639) 14.164 10.769 ( 0.812 -3.866 -7.869) 8.805 11.476 ( 1.882 -11.189 9.856) 15.029 11.639 ( -1.719 -6.796 3.540) 7.853 11.737 ( -5.792 5.899 2.268) 8.573 12.385 ( -9.723 -0.500 0.008) 9.736 12.597 ( 3.759 1.887 -4.106) 5.879 12.999 ( 7.641 4.159 -0.386) 8.709 13.568 ( -0.948 6.182 5.034) 8.028 14.073 ( 0.043 13.724 -0.526) 13.734 14.393 ( -0.550 12.902 -3.223) 13.310 15.042 ( 4.680 -14.694 0.083) 15.421 15.369 ( 3.767 -5.552 1.524) 6.880 16.960 ( -5.404 10.010 5.909) 12.818 17.319 ( -9.227 -16.226 0.993) 18.692 17.546 ( -14.136 -3.775 -3.375) 15.016 18.334 ( 15.867 5.397 -21.984) 27.644 20.165 ( 1.737 2.509 -1.906) 3.598 20.965 ( 3.028 12.199 -0.190) 12.571 23.291 ( -2.757 2.528 5.816) 6.915 23.418 ( -0.309 1.784 7.343) 7.563 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -9.851 -19.000 -4.354) 21.840 2.470 ( -11.022 -11.971 -1.381) 16.331 2.730 ( -1.831 1.905 -4.677) 5.371 2.797 ( 2.683 2.927 -5.168) 6.518 2.888 ( 9.518 10.149 2.149) 14.079 3.130 ( 2.462 2.138 2.167) 3.915 3.216 ( 2.088 4.444 4.343) 6.555 3.304 ( -5.131 3.026 -1.211) 6.079 3.381 ( 1.315 3.165 -2.938) 4.515 3.408 ( 0.971 -5.230 -5.210) 7.446 3.604 ( -0.006 -5.680 -2.410) 6.170 3.724 ( -1.299 10.782 5.911) 12.364 4.006 ( 1.142 2.465 1.772) 3.243 4.134 ( -8.047 -10.644 0.209) 13.345 4.328 ( 4.357 0.792 -5.705) 7.222 4.577 ( -1.171 -9.322 10.121) 13.810 4.693 ( -5.037 -4.113 5.413) 8.461 4.923 ( 0.217 9.380 4.311) 10.326 5.131 ( 6.579 -4.420 -0.305) 7.932 5.195 ( -3.123 -4.892 -0.747) 5.851 5.465 ( 3.377 -0.447 -1.936) 3.918 5.517 ( -4.165 7.942 2.770) 9.386 5.724 ( -1.630 -2.864 -4.831) 5.848 5.812 ( 1.658 -1.616 -2.022) 3.074 6.254 ( 0.195 0.841 0.537) 1.016 6.353 ( -0.488 -0.353 -3.360) 3.414 6.764 ( 2.655 0.026 7.937) 8.369 6.996 ( -3.059 0.889 3.924) 5.055 7.266 ( -1.740 0.943 -6.239) 6.546 7.436 ( -0.119 -9.488 -2.256) 9.754 7.689 ( -2.719 -5.785 3.106) 7.106 7.926 ( 2.030 -9.167 -1.574) 9.520 8.333 ( 0.336 -0.923 10.191) 10.238 9.177 ( 4.149 2.629 -3.014) 5.762 9.292 ( 5.332 2.370 0.641) 5.870 9.497 ( -10.040 -5.031 -3.102) 11.650 9.943 ( 0.874 -4.491 -5.016) 6.789 10.184 ( 0.380 -4.495 0.326) 4.523 10.368 ( 3.291 -7.484 -14.011) 16.222 10.534 ( 12.321 -16.910 4.347) 21.370 10.824 ( 1.837 -3.514 -8.255) 9.158 11.508 ( -2.528 8.496 5.033) 10.193 11.608 ( -4.477 4.691 8.961) 11.060 11.748 ( -3.321 -4.475 4.196) 6.975 12.370 ( -7.964 -6.867 1.983) 10.701 12.603 ( 2.292 0.904 -1.734) 3.012 13.050 ( 8.010 -3.775 -2.474) 9.195 13.485 ( 0.451 6.295 3.941) 7.441 13.910 ( -0.972 2.459 1.938) 3.278 14.121 ( -0.419 15.852 -3.358) 16.209 15.382 ( 8.040 -17.394 0.400) 19.167 15.534 ( 4.651 -7.911 0.197) 9.179 16.625 ( -9.552 19.446 1.660) 21.729 17.043 ( -16.911 15.033 -4.258) 23.024 17.815 ( -0.926 -18.530 -0.104) 18.553 18.486 ( 14.204 -6.614 -11.284) 19.309 20.121 ( 0.099 2.056 -2.633) 3.342 20.790 ( 2.794 9.655 -2.718) 10.412 23.249 ( -1.937 1.524 5.190) 5.746 23.406 ( -1.123 0.818 7.214) 7.347 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -23.779 -0.000 4.735) 24.246 1.652 ( -23.774 -0.000 -0.519) 23.780 2.575 ( 12.563 0.000 8.302) 15.058 2.640 ( 2.236 0.000 2.775) 3.564 3.107 ( 5.586 0.000 -8.427) 10.110 3.267 ( -7.161 -0.000 9.311) 11.746 3.271 ( 15.884 0.000 -13.175) 20.637 3.297 ( -4.012 -0.000 1.249) 4.201 3.418 ( -9.444 -0.000 5.798) 11.081 3.511 ( -4.488 -0.000 -4.774) 6.552 3.780 ( 0.627 0.000 1.582) 1.702 3.880 ( 0.390 0.000 -11.270) 11.277 4.025 ( 4.779 0.000 2.613) 5.447 4.049 ( 3.635 0.000 1.079) 3.791 4.171 ( 3.547 0.000 3.573) 5.035 4.386 ( -29.658 -0.000 5.077) 30.089 4.624 ( -3.421 -0.000 6.432) 7.285 4.794 ( -2.483 -0.000 -5.092) 5.665 5.107 ( 6.327 0.000 -7.428) 9.758 5.151 ( -4.185 -0.000 -2.636) 4.946 5.453 ( 6.865 0.000 -3.488) 7.701 5.651 ( -1.638 -0.000 3.182) 3.579 5.677 ( 2.695 0.000 2.761) 3.859 5.796 ( 4.191 0.000 9.138) 10.053 5.848 ( 6.583 0.000 2.131) 6.920 5.943 ( 16.113 0.000 -2.631) 16.326 6.136 ( -8.831 -0.000 12.836) 15.580 6.801 ( -0.531 -0.000 -0.962) 1.098 6.936 ( 0.351 0.000 -8.568) 8.575 7.338 ( -7.510 -0.000 -1.322) 7.626 7.391 ( 1.280 0.000 -2.753) 3.036 7.829 ( -3.781 -0.000 -7.158) 8.095 8.159 ( 2.862 0.000 5.914) 6.570 8.636 ( -4.195 -0.000 -0.342) 4.209 9.256 ( 4.322 0.000 3.340) 5.462 9.276 ( 6.515 0.000 -0.939) 6.582 9.582 ( 3.925 0.000 -7.693) 8.637 9.583 ( 11.102 0.000 13.868) 17.765 10.130 ( 5.066 0.000 -3.686) 6.265 10.372 ( -2.332 -0.000 0.125) 2.336 10.388 ( 4.027 0.000 8.361) 9.280 10.778 ( -0.566 -0.000 -1.463) 1.569 11.343 ( -2.716 -0.000 5.728) 6.339 11.941 ( 0.632 0.000 -5.834) 5.868 12.504 ( -1.013 -0.000 -1.992) 2.235 12.783 ( -6.618 -0.000 -0.259) 6.623 13.199 ( 2.960 0.000 -0.558) 3.012 13.980 ( -1.117 -0.000 6.434) 6.531 14.460 ( -3.264 -0.000 0.147) 3.267 14.571 ( 1.996 0.000 -0.169) 2.003 14.798 ( 6.563 0.000 -12.402) 14.032 15.550 ( -4.544 -0.000 5.111) 6.839 16.265 ( 1.269 0.000 -2.622) 2.913 16.395 ( -0.083 -0.000 2.275) 2.277 17.816 ( -12.206 -0.000 -5.689) 13.467 19.045 ( -1.485 -0.000 -26.193) 26.235 20.199 ( 5.585 0.000 0.947) 5.665 21.369 ( 2.619 0.000 1.532) 3.035 23.400 ( -3.611 -0.000 8.915) 9.619 23.487 ( 0.374 0.000 8.278) 8.286 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -22.760 -6.392 -1.705) 23.701 1.674 ( -21.738 -18.245 5.928) 28.993 2.645 ( -6.910 -3.878 0.150) 7.925 2.747 ( 9.253 -5.742 5.798) 12.337 3.065 ( 1.070 3.403 -10.525) 11.113 3.138 ( -5.331 8.834 -0.934) 10.361 3.280 ( 2.443 -3.276 4.379) 5.990 3.356 ( 1.776 3.003 -3.199) 4.733 3.451 ( 0.397 -2.644 3.155) 4.136 3.502 ( -2.929 -6.114 -1.164) 6.879 3.731 ( 1.689 6.312 0.661) 6.567 3.878 ( -1.705 0.311 -6.133) 6.374 4.081 ( 1.560 -1.383 4.479) 4.941 4.090 ( -5.066 0.258 0.740) 5.126 4.147 ( 1.541 -4.419 2.329) 5.227 4.208 ( -9.659 4.268 5.030) 11.697 4.663 ( -4.967 -4.465 2.375) 7.088 4.793 ( 4.669 -1.303 -2.468) 5.440 5.069 ( 1.366 3.901 -4.750) 6.296 5.115 ( -4.064 -0.132 -3.646) 5.461 5.444 ( 0.049 1.197 -5.574) 5.701 5.714 ( 0.637 -4.041 1.150) 4.250 5.735 ( 2.523 -2.237 3.613) 4.942 5.895 ( 9.406 -1.967 5.831) 11.240 5.951 ( -1.815 -1.143 3.914) 4.464 6.107 ( 0.896 -3.062 9.011) 9.559 6.136 ( 8.009 -13.475 -0.539) 15.685 6.826 ( -0.732 -3.629 -0.686) 3.765 6.940 ( -1.704 -2.817 -6.248) 7.062 7.320 ( -6.004 -4.582 -0.650) 7.580 7.392 ( -4.080 -0.865 -1.793) 4.540 7.768 ( -0.782 2.593 -3.735) 4.614 8.246 ( 6.866 -3.208 4.384) 8.755 8.738 ( -1.590 -14.810 -0.175) 14.896 9.276 ( 7.481 1.274 1.596) 7.755 9.392 ( 4.677 -5.051 0.078) 6.884 9.503 ( 5.712 5.822 0.992) 8.216 9.821 ( 6.190 -9.192 2.800) 11.431 10.051 ( -0.884 8.984 -1.244) 9.113 10.273 ( 7.796 2.267 -0.484) 8.134 10.607 ( 1.468 -7.582 1.081) 7.798 10.895 ( 0.715 -14.377 2.554) 14.620 11.378 ( -2.815 -5.036 5.424) 7.919 11.912 ( -1.816 1.821 -6.609) 7.092 12.467 ( 0.316 2.660 0.185) 2.685 12.695 ( -7.922 2.840 -2.119) 8.678 13.186 ( 3.629 4.115 -0.165) 5.489 13.889 ( -1.750 9.297 4.639) 10.536 14.444 ( -1.928 0.649 0.537) 2.105 14.646 ( 4.483 -4.269 0.534) 6.213 14.717 ( 1.445 7.303 -10.740) 13.068 15.433 ( -2.907 7.953 3.913) 9.328 16.464 ( -0.012 -19.698 -1.278) 19.739 16.603 ( 2.688 -19.868 4.009) 20.446 17.650 ( -16.100 4.339 -5.805) 17.656 18.845 ( -3.268 12.142 -31.605) 34.015 20.244 ( 7.129 1.440 1.106) 7.357 21.333 ( 2.508 6.905 2.510) 7.763 23.368 ( -4.643 1.430 5.764) 7.538 23.506 ( 2.424 2.334 12.851) 13.284 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -17.904 -15.383 -2.144) 23.702 1.892 ( -18.570 -20.804 2.890) 28.036 2.701 ( -7.586 -10.689 -4.832) 13.970 2.888 ( 2.744 -0.666 2.988) 4.111 2.962 ( -3.793 3.944 -4.430) 7.040 3.058 ( 5.379 -3.720 -5.830) 8.762 3.258 ( -4.492 4.269 1.753) 6.440 3.372 ( 3.784 -1.376 -0.834) 4.112 3.474 ( 5.499 3.205 0.735) 6.407 3.567 ( -4.847 -0.478 6.622) 8.220 3.608 ( -0.780 5.897 -2.581) 6.484 3.793 ( -5.717 2.972 -0.401) 6.456 4.028 ( -5.858 -0.386 6.221) 8.554 4.068 ( -2.305 6.227 4.348) 7.937 4.210 ( 1.693 -8.927 4.672) 10.216 4.317 ( 8.271 -6.307 -3.212) 10.886 4.673 ( -5.545 -1.758 -4.802) 7.543 4.864 ( 5.673 -0.813 1.721) 5.984 5.042 ( 1.106 -1.117 -0.092) 1.575 5.091 ( -2.829 -2.337 -5.044) 6.238 5.424 ( -2.239 -0.933 -3.391) 4.169 5.697 ( -4.618 1.719 0.800) 4.992 5.757 ( -5.979 4.936 5.382) 9.438 5.900 ( 6.255 1.708 2.675) 7.014 6.042 ( 4.594 -6.255 3.091) 8.354 6.267 ( 4.248 -6.876 -3.291) 8.727 6.504 ( 2.802 -19.824 6.448) 21.034 6.911 ( 0.323 -6.559 -0.290) 6.573 6.977 ( -2.024 -4.445 -2.049) 5.296 7.335 ( -4.475 1.361 -5.364) 7.117 7.395 ( -7.414 -9.034 0.343) 11.692 7.745 ( 3.105 -0.097 1.469) 3.437 8.342 ( 6.134 0.097 5.581) 8.294 9.057 ( 0.576 -16.657 -1.710) 16.754 9.336 ( 3.335 -2.103 -0.582) 3.985 9.439 ( 9.288 5.979 3.009) 11.448 9.539 ( 2.003 -8.852 0.322) 9.081 9.922 ( -2.708 -3.977 -6.562) 8.137 10.031 ( 1.882 -5.672 2.300) 6.403 10.341 ( 12.380 -1.166 -4.957) 13.386 10.698 ( 0.856 -3.432 -1.520) 3.850 11.222 ( 1.428 -18.830 4.705) 19.462 11.493 ( -2.140 -8.642 5.035) 10.228 11.804 ( -4.877 5.896 -3.717) 8.507 12.396 ( -5.791 6.520 4.170) 9.666 12.612 ( 0.297 -0.853 -7.797) 7.849 13.132 ( 4.659 5.047 0.058) 6.869 13.712 ( -1.068 9.607 5.483) 11.113 14.331 ( 2.329 13.393 -1.909) 13.727 14.543 ( -2.324 6.310 -2.937) 7.338 14.849 ( 4.820 -11.507 -0.316) 12.479 15.338 ( -0.172 0.489 2.055) 2.120 16.841 ( -6.639 -22.220 -2.587) 23.335 16.977 ( 3.351 -13.326 12.349) 18.474 17.420 ( -17.889 3.530 -5.361) 19.005 18.528 ( 5.140 11.133 -35.852) 37.891 20.251 ( 5.754 3.985 0.207) 7.002 21.192 ( 1.469 11.347 2.611) 11.736 23.315 ( -3.976 1.893 4.338) 6.181 23.496 ( 1.737 4.035 13.521) 14.216 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -11.833 -20.385 -1.616) 23.626 2.061 ( -21.442 -17.268 -0.080) 27.531 2.753 ( 0.186 1.333 -9.919) 10.010 2.875 ( 5.279 3.879 -3.864) 7.606 2.990 ( -0.795 -7.106 2.092) 7.450 3.167 ( -3.469 -1.308 2.288) 4.356 3.240 ( 2.102 -7.296 -4.992) 9.087 3.354 ( 4.506 3.775 0.379) 5.890 3.409 ( 1.034 9.020 4.600) 10.178 3.477 ( 5.411 4.936 -1.311) 7.441 3.528 ( -2.080 2.462 -5.653) 6.507 3.807 ( -11.323 -8.913 8.535) 16.748 3.937 ( -0.516 6.382 4.237) 7.677 4.031 ( -2.654 -0.754 6.581) 7.136 4.384 ( 5.792 -1.035 -3.648) 6.923 4.446 ( 3.955 -6.923 2.022) 8.225 4.630 ( -4.741 -0.356 -2.951) 5.596 4.929 ( -2.374 -4.306 0.993) 5.016 5.106 ( 0.793 -4.649 0.847) 4.792 5.126 ( 3.216 -1.428 -0.918) 3.637 5.426 ( -3.644 -2.558 0.094) 4.453 5.594 ( -6.604 5.662 4.222) 9.669 5.648 ( -6.612 -0.463 -0.422) 6.642 5.905 ( 9.016 5.069 -4.302) 11.202 6.197 ( 1.044 -6.623 1.430) 6.856 6.336 ( 0.403 -1.091 -5.836) 5.951 6.769 ( 0.593 -5.343 11.572) 12.760 6.994 ( 0.245 -0.918 3.413) 3.543 7.119 ( -4.280 -12.524 -2.026) 13.389 7.283 ( -4.651 -4.723 -6.837) 9.523 7.520 ( -2.377 -9.401 0.002) 9.697 7.836 ( 5.698 -5.140 2.840) 8.182 8.373 ( 3.100 1.509 7.715) 8.451 9.180 ( -3.469 -1.656 -1.997) 4.331 9.321 ( -7.853 -1.129 -3.904) 8.842 9.467 ( 14.722 3.187 -0.620) 15.076 9.814 ( 5.364 -11.968 0.783) 13.138 10.080 ( 0.277 -17.720 -7.993) 19.441 10.118 ( -0.474 -3.679 -1.144) 3.881 10.483 ( 13.779 -4.930 -4.237) 15.236 10.762 ( 1.409 -3.799 -2.108) 4.567 11.522 ( -0.862 -9.678 3.201) 10.230 11.600 ( -5.096 -1.756 1.998) 5.748 11.691 ( -1.286 -0.674 7.478) 7.617 12.207 ( -12.533 2.701 1.294) 12.886 12.646 ( 4.085 0.002 -6.049) 7.300 13.109 ( 7.138 2.221 -2.235) 7.803 13.596 ( 1.204 5.251 7.639) 9.348 14.079 ( 1.407 14.832 -1.303) 14.956 14.368 ( -1.325 12.540 -1.002) 12.650 15.138 ( 7.333 -16.604 -0.847) 18.171 15.435 ( 3.801 -8.191 1.540) 9.161 16.805 ( -14.508 10.421 -1.265) 17.908 17.061 ( -24.356 8.004 3.063) 25.820 17.437 ( 0.376 -21.462 1.596) 21.524 18.522 ( 22.529 -4.071 -27.882) 36.077 20.198 ( 3.195 5.632 -0.959) 6.546 20.992 ( -0.199 12.179 0.733) 12.202 23.267 ( -2.977 1.480 4.029) 5.223 23.462 ( 0.222 3.820 11.632) 12.245 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -25.887 -0.000 6.654) 26.729 1.270 ( -25.341 -0.000 4.628) 25.760 2.465 ( -27.876 -0.000 0.413) 27.879 2.769 ( 7.294 0.000 4.762) 8.710 3.090 ( -2.816 -0.000 -3.097) 4.185 3.197 ( -5.142 -0.000 -8.988) 10.355 3.277 ( 1.538 0.000 6.861) 7.031 3.324 ( -4.014 -0.000 0.919) 4.118 3.439 ( 11.650 0.000 -9.885) 15.279 3.470 ( 3.081 0.000 0.472) 3.117 3.823 ( 2.119 0.000 2.287) 3.118 3.865 ( 2.843 0.000 -5.466) 6.161 3.962 ( -16.790 -0.000 9.814) 19.448 4.110 ( 4.014 0.000 3.546) 5.356 4.137 ( 6.464 0.000 2.001) 6.767 4.288 ( -1.277 -0.000 1.885) 2.277 4.587 ( -4.358 -0.000 5.225) 6.804 4.791 ( 5.536 0.000 -5.971) 8.142 5.052 ( -6.616 -0.000 -2.616) 7.114 5.125 ( 0.502 0.000 -4.842) 4.868 5.451 ( -1.138 -0.000 -8.152) 8.231 5.630 ( -0.799 -0.000 -0.928) 1.225 5.748 ( 3.940 0.000 0.765) 4.013 5.921 ( -6.578 -0.000 3.649) 7.522 5.928 ( 6.594 0.000 11.164) 12.966 6.107 ( 9.556 0.000 2.285) 9.826 6.168 ( 7.976 0.000 2.551) 8.374 6.768 ( -4.169 -0.000 -0.141) 4.171 6.875 ( -3.095 -0.000 -5.893) 6.656 7.191 ( -10.638 -0.000 2.488) 10.926 7.398 ( 0.586 0.000 2.289) 2.363 7.786 ( 2.278 0.000 -5.168) 5.648 8.277 ( 9.921 0.000 -0.057) 9.921 8.593 ( -1.139 -0.000 0.682) 1.327 9.350 ( 3.117 0.000 -3.326) 4.559 9.364 ( 6.451 0.000 3.371) 7.279 9.608 ( 3.178 0.000 -5.308) 6.187 9.828 ( 11.528 0.000 11.585) 16.343 10.226 ( 9.746 0.000 -4.177) 10.603 10.334 ( -2.355 -0.000 0.556) 2.420 10.528 ( 7.530 0.000 12.020) 14.184 10.754 ( -1.616 -0.000 -1.407) 2.143 11.320 ( -3.247 -0.000 5.388) 6.291 11.890 ( -2.343 -0.000 -11.157) 11.400 12.486 ( -0.333 -0.000 -2.832) 2.852 12.646 ( -10.394 -0.000 -0.733) 10.420 13.248 ( 3.037 0.000 -0.123) 3.040 13.980 ( -2.034 -0.000 4.985) 5.384 14.400 ( -4.205 -0.000 0.185) 4.210 14.605 ( 2.298 0.000 -0.145) 2.302 14.842 ( 6.254 0.000 -13.370) 14.761 15.505 ( -3.950 -0.000 5.756) 6.981 16.280 ( 1.907 0.000 -2.229) 2.933 16.403 ( -0.104 -0.000 1.923) 1.926 17.537 ( -19.025 -0.000 -5.106) 19.698 18.817 ( -9.308 -0.000 -40.454) 41.511 20.330 ( 9.329 0.000 1.663) 9.476 21.428 ( 3.462 0.000 3.773) 5.120 23.353 ( -4.961 -0.000 4.033) 6.393 23.602 ( 5.511 0.000 20.472) 21.201 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -22.091 -9.563 3.756) 24.363 1.361 ( -21.742 -22.166 7.659) 31.980 2.294 ( -35.290 -12.070 2.088) 37.355 2.846 ( -0.239 -2.140 -0.025) 2.153 3.027 ( -6.372 -1.319 -2.842) 7.101 3.087 ( 6.815 7.272 -8.825) 13.312 3.271 ( -2.577 2.761 0.921) 3.887 3.375 ( -0.636 -4.418 8.366) 9.482 3.475 ( 7.711 -0.473 -7.359) 10.670 3.581 ( 8.564 -1.955 -2.127) 9.038 3.760 ( 0.169 7.197 1.682) 7.393 3.815 ( -5.436 3.235 2.683) 6.871 3.963 ( -1.229 -2.843 6.190) 6.922 4.146 ( 2.560 -1.665 4.441) 5.390 4.186 ( -1.819 6.515 1.257) 6.880 4.260 ( 7.180 -5.589 0.500) 9.113 4.588 ( -3.619 -2.190 -1.850) 4.617 4.891 ( 6.725 -4.785 -0.167) 8.255 4.996 ( -5.936 -1.158 -4.961) 7.822 5.065 ( -1.543 3.944 -3.621) 5.572 5.398 ( -1.417 1.444 -5.039) 5.430 5.681 ( -3.588 -1.470 -2.224) 4.470 5.761 ( -0.700 -0.792 1.355) 1.718 5.873 ( -8.032 -0.774 8.223) 11.521 6.087 ( 8.512 -4.460 7.173) 11.991 6.197 ( 8.127 -2.575 -4.275) 9.537 6.268 ( 7.039 -8.478 0.648) 11.038 6.789 ( -4.587 -5.848 1.284) 7.543 6.879 ( -2.805 -4.362 -2.615) 5.808 7.175 ( -10.255 -6.145 2.894) 12.301 7.370 ( -0.608 3.740 2.321) 4.444 7.787 ( 5.055 1.388 -1.953) 5.594 8.402 ( 11.084 -2.034 -0.846) 11.301 8.746 ( 2.456 -17.026 0.521) 17.210 9.345 ( 0.583 0.840 -3.095) 3.260 9.461 ( 4.560 -4.249 2.875) 6.864 9.611 ( 6.596 1.851 -1.420) 6.997 9.929 ( 3.690 5.144 6.182) 8.848 10.026 ( -1.047 8.018 -0.622) 8.110 10.403 ( 10.262 -0.980 -6.254) 12.058 10.665 ( 3.466 -2.586 5.367) 6.892 10.923 ( 1.707 -16.983 2.990) 17.328 11.355 ( -2.941 -5.489 5.149) 8.080 11.828 ( -3.500 1.923 -10.331) 11.077 12.479 ( -0.345 2.291 1.976) 3.045 12.531 ( -9.938 -0.636 -10.368) 14.376 13.237 ( 2.696 3.442 0.187) 4.376 13.888 ( -0.539 8.852 6.907) 11.241 14.415 ( -2.185 -3.701 0.736) 4.361 14.681 ( 1.080 5.995 -9.060) 10.917 14.729 ( 4.678 -0.140 0.240) 4.686 15.397 ( -4.100 6.909 2.754) 8.493 16.451 ( -0.699 -16.582 -1.738) 16.688 16.697 ( 6.685 -24.873 5.915) 26.426 17.334 ( -19.719 4.053 -4.878) 20.714 18.566 ( -9.621 5.147 -47.984) 49.209 20.378 ( 8.437 3.297 1.000) 9.113 21.389 ( 2.342 8.389 4.406) 9.761 23.315 ( -4.391 0.930 3.162) 5.491 23.653 ( 5.973 5.804 24.099) 25.497 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -14.040 -19.433 3.781) 24.271 1.566 ( -24.760 -18.704 2.380) 31.122 2.461 ( -18.652 -30.598 3.836) 36.040 2.800 ( -5.400 0.801 -3.600) 6.539 3.001 ( 2.053 3.574 -9.616) 10.462 3.103 ( 1.494 -3.496 -0.295) 3.814 3.191 ( 2.462 2.304 -1.101) 3.547 3.472 ( 3.926 -1.379 3.173) 5.233 3.505 ( -0.435 -0.666 -4.225) 4.299 3.593 ( 6.648 8.133 -0.803) 10.535 3.623 ( 0.126 6.385 5.039) 8.135 3.717 ( -0.433 5.005 1.521) 5.248 4.000 ( -3.186 -0.897 8.279) 8.916 4.056 ( -2.923 5.582 3.422) 7.170 4.288 ( 4.654 -9.127 3.673) 10.883 4.434 ( 7.358 -6.217 -2.416) 9.931 4.567 ( -3.938 0.663 -7.125) 8.168 4.923 ( 1.806 2.730 -2.508) 4.123 4.998 ( -5.794 -2.655 -1.403) 6.526 5.086 ( 3.839 -7.529 -2.070) 8.701 5.363 ( -3.704 -0.092 -0.324) 3.719 5.597 ( -6.610 2.314 1.279) 7.120 5.670 ( -8.397 6.499 6.081) 12.236 5.957 ( 1.885 -6.310 -1.482) 6.751 6.165 ( 8.317 1.156 -0.948) 8.450 6.281 ( 1.086 -3.391 -8.859) 9.548 6.599 ( 4.145 -17.880 10.307) 21.051 6.879 ( -5.104 -8.678 0.296) 10.072 6.949 ( -2.307 -5.295 1.325) 5.926 7.183 ( -8.578 -0.608 4.010) 9.488 7.357 ( -1.322 -6.103 -1.816) 6.504 7.835 ( 7.366 -1.545 1.813) 7.742 8.461 ( 5.543 2.934 2.436) 6.728 9.043 ( -1.538 -10.149 -2.125) 10.483 9.298 ( -2.840 2.703 -4.926) 6.296 9.622 ( 8.347 -2.717 2.359) 9.089 9.662 ( 11.213 -6.722 6.507) 14.604 9.816 ( -5.881 -5.673 -8.119) 11.519 10.070 ( 2.574 -2.807 -0.744) 3.880 10.497 ( 10.686 -2.923 -9.654) 14.695 10.728 ( 2.054 -1.726 5.129) 5.788 11.252 ( 0.594 -18.267 1.064) 18.308 11.479 ( -2.455 -8.793 4.184) 10.043 11.719 ( -3.087 4.574 -2.855) 6.213 12.272 ( -11.806 11.538 5.961) 17.551 12.599 ( 3.156 -6.678 -15.850) 17.487 13.198 ( 3.939 3.160 -1.012) 5.150 13.752 ( 1.905 8.985 11.303) 14.564 14.372 ( 3.831 15.221 -2.453) 15.886 14.486 ( -2.842 2.732 -0.463) 3.970 14.937 ( 5.711 -12.122 0.100) 13.401 15.329 ( -1.970 -3.925 0.684) 4.445 16.695 ( -9.944 -9.969 -1.542) 14.165 17.031 ( -13.256 4.299 8.664) 16.409 17.149 ( -4.425 -10.564 -1.054) 11.502 18.479 ( 14.685 -10.087 -48.213) 51.400 20.347 ( 5.829 6.743 0.318) 8.918 21.207 ( -2.042 12.977 4.083) 13.756 23.272 ( -3.422 1.122 2.892) 4.619 23.607 ( 2.060 8.269 20.989) 22.653 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -25.172 -0.000 11.204) 27.553 0.919 ( -23.900 -0.000 14.398) 27.902 1.845 ( -48.433 -0.000 6.062) 48.811 2.832 ( 0.240 0.000 -2.507) 2.518 2.917 ( -10.906 -0.000 -6.931) 12.922 3.214 ( 6.125 0.000 -4.221) 7.439 3.297 ( 0.102 0.000 -1.697) 1.700 3.329 ( 2.476 0.000 1.122) 2.718 3.559 ( 8.238 0.000 -3.635) 9.005 3.574 ( 7.012 0.000 2.924) 7.598 3.768 ( -7.349 -0.000 8.398) 11.160 3.914 ( 4.845 0.000 -1.415) 5.047 3.933 ( 3.112 0.000 4.021) 5.084 4.179 ( 1.354 0.000 5.585) 5.747 4.234 ( -2.833 -0.000 -3.611) 4.590 4.257 ( 6.463 0.000 3.080) 7.159 4.549 ( -2.292 -0.000 3.642) 4.303 4.853 ( 4.018 0.000 -7.819) 8.791 4.925 ( -8.047 -0.000 -1.608) 8.207 5.099 ( -0.914 -0.000 -1.969) 2.171 5.409 ( 0.167 0.000 -3.868) 3.872 5.621 ( 1.484 0.000 -5.648) 5.840 5.784 ( -11.108 -0.000 8.430) 13.945 5.793 ( 1.924 0.000 -2.032) 2.798 6.097 ( 7.958 0.000 10.944) 13.532 6.219 ( 2.118 0.000 -6.707) 7.034 6.308 ( 10.915 0.000 -2.813) 11.272 6.673 ( -7.207 -0.000 2.873) 7.758 6.801 ( -4.773 -0.000 -0.682) 4.822 7.047 ( -8.951 -0.000 3.145) 9.487 7.443 ( 1.979 0.000 8.725) 8.947 7.853 ( 8.378 0.000 -3.909) 9.245 8.454 ( 13.388 0.000 -4.544) 14.139 8.598 ( 0.819 0.000 0.751) 1.111 9.338 ( -1.631 -0.000 -5.924) 6.144 9.469 ( 4.378 0.000 4.605) 6.354 9.628 ( 1.425 0.000 -2.483) 2.862 10.009 ( 6.561 0.000 3.006) 7.217 10.312 ( -0.901 -0.000 1.157) 1.466 10.417 ( 15.579 0.000 -0.752) 15.597 10.716 ( -2.456 -0.000 -1.224) 2.744 10.723 ( 9.073 0.000 16.465) 18.799 11.297 ( -2.417 -0.000 4.839) 5.409 11.754 ( -7.599 -0.000 -24.108) 25.277 12.318 ( -16.134 -0.000 -31.122) 35.056 12.526 ( -6.446 -0.000 10.595) 12.402 13.287 ( 1.808 0.000 0.058) 1.809 14.009 ( 4.057 0.000 13.312) 13.917 14.335 ( -3.980 -0.000 0.153) 3.983 14.640 ( 2.047 0.000 -0.042) 2.048 14.875 ( 5.320 0.000 -10.047) 11.368 15.467 ( -4.126 -0.000 1.170) 4.288 16.301 ( 1.852 0.000 -1.978) 2.710 16.409 ( -0.126 -0.000 1.731) 1.736 17.213 ( -18.402 -0.000 -1.750) 18.485 18.336 ( -25.768 -0.000 -56.553) 62.146 20.478 ( 8.210 0.000 0.224) 8.213 21.510 ( 4.480 0.000 2.758) 5.260 23.295 ( -4.069 -0.000 2.600) 4.829 23.878 ( 15.437 0.000 35.562) 38.768 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -16.795 -14.163 13.434) 25.752 1.045 ( -24.268 -19.714 8.184) 32.319 1.715 ( -36.980 -27.843 14.528) 48.516 2.775 ( -3.611 1.548 -8.531) 9.392 2.902 ( -5.771 -5.093 -8.153) 11.212 3.178 ( 6.547 3.840 -3.844) 8.508 3.291 ( 3.732 4.289 -0.057) 5.686 3.373 ( -2.692 -4.214 3.605) 6.164 3.584 ( 5.813 2.265 -2.892) 6.877 3.666 ( -0.561 -1.074 6.330) 6.445 3.767 ( 6.412 1.486 0.471) 6.599 3.840 ( 4.342 7.018 2.756) 8.700 4.003 ( 1.206 -0.072 2.693) 2.952 4.103 ( -6.508 4.957 2.278) 8.492 4.232 ( 4.207 -1.625 2.014) 4.939 4.360 ( 4.382 -5.142 0.952) 6.823 4.556 ( 1.846 -0.421 -3.437) 3.924 4.875 ( -6.345 -2.053 -2.675) 7.186 4.942 ( 0.410 -7.743 -7.527) 10.806 5.038 ( -0.035 4.609 0.876) 4.692 5.376 ( 0.004 2.796 0.708) 2.884 5.605 ( -4.238 2.856 0.722) 5.162 5.722 ( -5.306 4.794 0.385) 7.161 5.819 ( -1.187 -7.415 2.363) 7.873 6.171 ( -0.007 -2.761 -6.363) 6.936 6.297 ( 8.386 -1.545 -1.955) 8.749 6.388 ( 6.548 -8.104 2.088) 10.626 6.713 ( -6.032 -6.655 5.338) 10.448 6.812 ( -6.342 -5.503 2.333) 8.715 7.059 ( -5.311 -6.977 1.612) 8.915 7.366 ( -4.012 8.089 7.884) 11.987 7.902 ( 9.664 1.004 -0.920) 9.759 8.554 ( 8.606 1.296 -4.639) 9.862 8.816 ( 6.483 -17.266 -0.325) 18.446 9.295 ( -3.366 0.983 -6.186) 7.111 9.560 ( 5.304 -5.589 5.833) 9.664 9.660 ( 0.454 -2.918 -2.941) 4.167 9.910 ( -8.676 22.164 3.337) 24.035 10.062 ( 3.809 -0.970 -1.178) 4.104 10.525 ( 8.615 0.560 -8.598) 12.184 10.733 ( 1.796 -2.468 3.988) 5.022 10.981 ( 2.747 -12.440 1.914) 12.882 11.337 ( -2.118 -5.776 4.735) 7.763 11.715 ( -3.606 -4.563 -16.495) 17.490 12.265 ( -13.045 -12.090 -23.516) 29.485 12.443 ( -4.568 2.210 -1.684) 5.347 13.271 ( 1.576 2.703 -0.073) 3.130 13.999 ( 8.506 11.401 20.010) 24.550 14.397 ( 0.937 -7.445 0.869) 7.554 14.664 ( 1.403 11.234 -6.570) 13.090 14.808 ( 4.107 -4.639 4.176) 7.472 15.299 ( -9.834 5.562 -0.549) 11.311 16.431 ( -0.724 -12.135 -1.057) 12.202 16.868 ( 10.503 -27.241 0.516) 29.200 17.036 ( -14.004 5.245 4.014) 15.483 18.107 ( -14.293 -19.346 -64.706) 69.032 20.497 ( 6.130 4.364 -0.129) 7.526 21.426 ( -0.940 11.967 2.655) 12.294 23.266 ( -3.221 0.588 2.405) 4.062 23.926 ( 10.862 16.995 35.802) 41.093 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -19.231 -0.000 20.230) 27.912 0.658 ( -21.605 -0.000 20.815) 30.001 1.153 ( -41.672 -0.000 30.004) 51.350 2.752 ( -4.129 -0.000 -11.461) 12.182 2.782 ( -2.035 -0.000 -9.882) 10.089 3.266 ( 1.038 0.000 0.239) 1.065 3.284 ( -1.168 -0.000 -2.450) 2.714 3.376 ( 4.019 0.000 -2.852) 4.928 3.599 ( -6.583 -0.000 5.993) 8.902 3.678 ( 7.366 0.000 2.137) 7.670 3.823 ( 9.098 0.000 6.444) 11.148 3.988 ( 1.488 0.000 -0.328) 1.524 3.990 ( 4.565 0.000 0.993) 4.672 4.129 ( -3.767 -0.000 -2.886) 4.746 4.307 ( 10.146 0.000 4.070) 10.932 4.331 ( 0.101 0.000 4.286) 4.287 4.575 ( 4.561 0.000 1.056) 4.681 4.792 ( -8.249 -0.000 0.319) 8.255 4.866 ( 7.158 0.000 -7.015) 10.022 5.077 ( -3.437 -0.000 3.398) 4.833 5.429 ( 2.460 0.000 2.262) 3.342 5.621 ( 2.982 0.000 -9.982) 10.418 5.707 ( -2.892 -0.000 12.146) 12.485 5.787 ( -0.708 -0.000 -4.527) 4.582 6.121 ( -10.243 -0.000 -13.511) 16.954 6.257 ( 6.629 0.000 7.226) 9.806 6.436 ( 7.686 0.000 -6.806) 10.266 6.612 ( -4.376 -0.000 10.753) 11.609 6.709 ( -7.422 -0.000 5.221) 9.074 6.947 ( -4.487 -0.000 -0.193) 4.491 7.529 ( 2.890 0.000 6.223) 6.862 7.993 ( 10.310 0.000 -0.963) 10.355 8.604 ( 1.250 0.000 -3.625) 3.834 8.644 ( 11.655 0.000 -3.531) 12.178 9.259 ( -3.987 -0.000 -7.491) 8.486 9.547 ( 3.285 0.000 4.902) 5.901 9.635 ( 0.551 0.000 -0.464) 0.720 10.075 ( 2.405 0.000 -2.634) 3.567 10.315 ( 0.283 0.000 1.653) 1.677 10.571 ( -19.444 -0.000 -34.831) 39.891 10.668 ( -2.717 -0.000 -1.041) 2.910 10.816 ( -48.241 -0.000 -48.799) 68.619 11.077 ( -5.260 -0.000 6.108) 8.061 11.290 ( -1.173 -0.000 4.399) 4.553 11.993 ( -1.395 -0.000 -9.062) 9.168 12.449 ( -8.498 -0.000 7.522) 11.349 13.306 ( 0.723 0.000 0.008) 0.723 14.283 ( -2.465 -0.000 0.060) 2.466 14.414 ( 37.187 0.000 32.427) 49.339 14.666 ( 1.213 0.000 0.060) 1.215 14.956 ( 10.804 0.000 1.569) 10.917 15.334 ( -10.557 -0.000 -5.827) 12.058 16.316 ( 1.181 0.000 -1.986) 2.311 16.415 ( -0.115 -0.000 1.796) 1.800 17.016 ( -6.154 -0.000 9.826) 11.594 17.455 ( -52.379 -0.000 -46.103) 69.779 20.578 ( 4.642 0.000 -0.387) 4.659 21.544 ( -1.732 -0.000 -6.137) 6.377 23.254 ( -2.477 -0.000 2.271) 3.361 24.452 ( 34.018 0.000 31.366) 46.272 ======================= Grid point 205 (87/172) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 5.956 0.000 19.720) 20.600 1.055 ( -1.172 -0.000 24.064) 24.092 2.002 ( -7.102 -0.000 40.235) 40.857 2.330 ( -0.529 -0.000 -20.484) 20.491 2.413 ( 10.910 0.000 -10.755) 15.320 3.238 ( -6.403 -0.000 -1.550) 6.588 3.286 ( -5.644 -0.000 5.710) 8.028 3.326 ( 7.380 0.000 -5.951) 9.480 3.568 ( -5.460 -0.000 -1.208) 5.592 3.708 ( 7.706 0.000 -8.259) 11.295 3.807 ( -10.206 -0.000 0.992) 10.254 3.979 ( 5.726 0.000 -6.001) 8.294 4.036 ( -2.144 -0.000 -15.761) 15.906 4.079 ( 2.333 0.000 -3.239) 3.991 4.252 ( 2.074 0.000 11.120) 11.312 4.393 ( -2.877 -0.000 3.419) 4.468 4.584 ( -0.306 -0.000 -3.153) 3.167 4.781 ( 0.160 0.000 2.480) 2.485 5.034 ( -7.610 -0.000 1.123) 7.693 5.037 ( -1.212 -0.000 -0.458) 1.296 5.392 ( 1.297 0.000 -9.067) 9.159 5.574 ( 3.961 0.000 3.013) 4.977 5.610 ( -6.353 -0.000 0.227) 6.358 5.625 ( -1.279 -0.000 -5.009) 5.170 6.235 ( 13.370 0.000 -4.299) 14.044 6.430 ( 2.429 0.000 8.206) 8.557 6.436 ( 2.657 0.000 3.602) 4.476 6.836 ( -8.099 -0.000 2.331) 8.428 6.854 ( -1.551 -0.000 7.472) 7.632 6.933 ( 2.333 0.000 11.017) 11.261 7.320 ( -13.885 -0.000 -0.561) 13.897 8.137 ( 0.014 0.000 2.530) 2.530 8.457 ( 1.460 0.000 -8.094) 8.225 8.712 ( 5.621 0.000 -2.676) 6.225 8.953 ( -5.125 -0.000 -4.106) 6.567 8.976 ( -2.609 -0.000 -8.680) 9.064 9.646 ( 0.281 0.000 3.767) 3.778 9.653 ( 0.716 0.000 0.287) 0.771 10.072 ( 1.911 0.000 -1.901) 2.695 10.387 ( 0.237 0.000 3.388) 3.396 10.509 ( -0.765 -0.000 -9.444) 9.475 10.592 ( -0.926 -0.000 -2.432) 2.603 11.382 ( -0.816 -0.000 3.758) 3.845 11.550 ( 5.695 0.000 5.225) 7.729 12.001 ( 5.510 0.000 -2.646) 6.113 12.504 ( -1.574 -0.000 4.925) 5.171 13.309 ( 0.017 0.000 -0.114) 0.116 14.262 ( -0.056 -0.000 -0.012) 0.058 14.679 ( 0.048 0.000 0.124) 0.133 14.751 ( -7.959 -0.000 3.252) 8.598 15.143 ( 1.076 0.000 4.063) 4.203 15.665 ( 10.669 0.000 -5.128) 11.838 16.286 ( 0.301 0.000 -1.275) 1.310 16.451 ( -0.217 -0.000 1.121) 1.142 16.567 ( 1.069 0.000 -7.437) 7.514 17.565 ( 21.838 0.000 5.886) 22.618 20.667 ( 2.928 0.000 1.745) 3.408 21.265 ( -7.973 -0.000 -4.082) 8.957 23.287 ( -0.575 -0.000 2.147) 2.222 24.694 ( -8.734 -0.000 0.409) 8.744 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 17.023 -9.149 14.922) 24.416 1.319 ( 3.569 -18.481 21.184) 28.339 2.045 ( -4.197 -5.309 6.557) 9.423 2.372 ( 4.885 -6.779 -16.806) 18.768 2.657 ( 16.166 -14.330 11.586) 24.514 3.120 ( -8.401 2.989 -2.732) 9.326 3.297 ( -3.454 -0.767 0.974) 3.670 3.341 ( 2.398 1.943 -0.070) 3.087 3.500 ( -4.060 2.747 0.111) 4.903 3.670 ( -4.345 3.391 -1.337) 5.672 3.796 ( 2.189 -2.520 -5.129) 6.120 3.992 ( -1.094 2.102 3.121) 3.919 4.011 ( -0.053 -3.994 -17.822) 18.264 4.068 ( 3.265 4.281 -4.295) 6.888 4.287 ( 0.850 -0.611 8.576) 8.640 4.360 ( -3.114 2.658 3.584) 5.441 4.593 ( 0.044 -2.136 -2.213) 3.076 4.783 ( -9.707 11.098 0.369) 14.749 4.843 ( 2.511 -4.369 1.252) 5.193 4.998 ( -2.968 0.619 0.304) 3.047 5.371 ( 2.449 1.973 -4.429) 5.432 5.560 ( -1.367 -0.626 0.980) 1.794 5.671 ( 2.129 -4.441 -0.247) 4.931 5.745 ( 4.310 -8.413 -4.272) 10.373 6.235 ( 5.994 5.016 -5.237) 9.408 6.295 ( -2.243 11.749 4.706) 12.854 6.557 ( 0.813 -9.437 3.479) 10.091 6.821 ( -9.340 -3.315 12.473) 15.931 6.944 ( -2.117 -10.347 -1.343) 10.647 7.036 ( 5.055 -5.669 6.885) 10.251 7.228 ( -8.126 -0.352 3.756) 8.959 8.084 ( -2.113 4.394 2.634) 5.541 8.556 ( 2.869 -7.390 -7.707) 11.056 8.909 ( 2.135 -0.984 -4.776) 5.324 8.989 ( 3.445 -3.667 -7.807) 9.288 9.130 ( -1.571 -23.456 1.444) 23.553 9.622 ( 0.487 -0.974 -3.576) 3.738 9.738 ( 1.692 -4.738 1.003) 5.130 10.133 ( 1.983 -5.498 -1.536) 6.043 10.425 ( -1.145 -0.216 -3.832) 4.005 10.615 ( -1.377 -18.456 -3.289) 18.797 10.706 ( 1.214 -13.915 -2.753) 14.237 11.418 ( -0.481 -3.601 3.219) 4.854 11.661 ( 5.225 -6.512 0.453) 8.362 12.004 ( 0.232 0.912 -3.848) 3.962 12.448 ( 4.701 8.240 3.535) 10.124 13.274 ( -0.289 3.671 -0.163) 3.686 14.299 ( -0.792 -0.517 2.919) 3.068 14.502 ( -7.151 12.343 2.789) 14.535 14.747 ( -1.865 -2.007 0.883) 2.879 15.139 ( 4.993 4.639 2.110) 7.134 15.332 ( -12.868 14.866 1.834) 19.747 16.453 ( 0.567 -14.961 -0.663) 14.987 16.485 ( 2.322 2.046 -2.030) 3.701 16.783 ( 13.464 -8.422 -10.391) 18.978 17.935 ( 27.465 -17.897 -12.901) 35.229 20.633 ( -1.026 5.082 0.428) 5.202 21.142 ( -5.240 6.901 0.536) 8.682 23.289 ( 0.159 0.255 2.226) 2.246 24.446 ( -13.602 15.625 9.502) 22.791 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 20.123 -13.967 9.348) 26.219 1.699 ( 5.070 -14.669 16.390) 22.572 2.211 ( 0.602 -16.080 -10.896) 19.433 2.541 ( 10.927 -8.954 -14.006) 19.893 2.995 ( -7.596 1.493 -7.736) 10.944 3.055 ( 5.690 -8.134 9.390) 13.664 3.253 ( -0.581 2.592 -0.062) 2.657 3.303 ( -3.119 2.624 2.507) 4.785 3.481 ( 2.049 -4.302 7.961) 9.278 3.583 ( -4.247 1.336 4.020) 5.999 3.833 ( -0.507 1.587 4.637) 4.928 3.921 ( -2.610 4.933 0.600) 5.613 3.937 ( -1.292 7.803 -0.073) 7.909 4.080 ( 0.483 -6.908 -10.979) 12.980 4.234 ( 0.268 9.056 8.672) 12.541 4.381 ( -1.927 -7.601 -6.973) 10.494 4.590 ( 1.266 1.733 -2.444) 3.253 4.671 ( 0.268 -3.507 -5.837) 6.815 4.965 ( 3.902 -5.636 0.329) 6.863 5.016 ( -1.997 -4.870 -1.601) 5.501 5.344 ( 2.684 2.997 1.379) 4.253 5.546 ( 0.752 3.382 1.747) 3.880 5.778 ( 1.984 -4.851 0.569) 5.272 5.900 ( 4.428 -6.533 -3.031) 8.454 6.108 ( -2.545 7.339 -3.807) 8.651 6.209 ( 4.340 0.454 -1.657) 4.668 6.689 ( -8.060 -4.774 10.310) 13.931 6.904 ( 0.895 -8.891 4.102) 9.833 7.116 ( -7.931 -9.693 2.346) 12.742 7.223 ( 4.927 -10.280 4.058) 12.100 7.229 ( -2.599 -6.467 -0.811) 7.016 7.988 ( -4.765 3.558 2.905) 6.619 8.656 ( -0.751 -3.233 0.628) 3.378 8.915 ( 9.755 3.398 -5.323) 11.621 9.088 ( 2.280 -6.297 -7.254) 9.873 9.389 ( -2.437 -10.361 2.889) 11.029 9.707 ( -0.877 -9.030 -6.922) 11.412 9.812 ( -2.122 -4.503 1.164) 5.112 10.260 ( -4.161 -9.792 0.648) 10.659 10.391 ( -4.231 -0.027 -4.863) 6.446 10.878 ( -0.385 -13.278 2.145) 13.456 11.048 ( -2.603 -16.374 -4.080) 17.075 11.509 ( 1.963 -5.160 1.863) 5.827 11.847 ( 3.966 -10.661 -1.297) 11.448 11.993 ( -1.193 -0.304 1.787) 2.170 12.365 ( 10.126 4.672 -4.638) 12.078 13.188 ( -1.283 4.963 -0.566) 5.157 14.043 ( -7.348 18.409 9.060) 21.794 14.468 ( 4.269 0.807 -1.430) 4.574 14.642 ( -7.570 10.726 0.283) 13.132 15.118 ( 3.888 -2.721 0.764) 4.807 15.208 ( -13.614 -9.272 0.522) 16.480 16.480 ( 14.686 5.241 -0.666) 15.607 16.664 ( 8.049 2.221 2.026) 8.592 16.995 ( 4.363 -18.935 -7.541) 20.843 18.371 ( 13.173 -15.744 -24.458) 31.931 20.489 ( -4.614 8.125 -0.934) 9.391 20.962 ( -0.556 11.469 3.511) 12.007 23.292 ( 0.599 0.281 2.545) 2.629 24.088 ( -11.305 15.635 13.109) 23.326 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 6.630 -12.980 3.916) 15.093 2.015 ( 18.733 -15.476 6.179) 25.073 2.495 ( 0.826 -15.119 -7.485) 16.891 2.769 ( 10.906 -9.649 -10.196) 17.776 2.887 ( -4.735 1.620 -9.406) 10.655 3.040 ( -1.037 5.919 0.218) 6.013 3.176 ( -9.292 3.977 0.393) 10.115 3.243 ( 0.670 1.434 -1.027) 1.887 3.435 ( -2.842 6.383 1.535) 7.153 3.676 ( -5.286 9.535 7.439) 13.199 3.728 ( -1.515 4.869 4.770) 6.983 3.837 ( -1.284 -1.200 5.674) 5.940 3.917 ( -0.026 -0.479 1.520) 1.594 4.154 ( 0.897 -2.971 4.633) 5.576 4.158 ( 3.195 -4.114 8.448) 9.925 4.517 ( 1.950 -10.513 -12.821) 16.695 4.665 ( 4.264 -7.052 -2.352) 8.570 4.784 ( 6.201 -8.388 -7.520) 12.859 5.063 ( -0.970 -3.009 0.484) 3.199 5.088 ( -1.067 -4.359 -1.631) 4.775 5.320 ( 3.937 3.768 4.775) 7.246 5.468 ( -1.088 5.062 4.325) 6.746 5.830 ( 4.397 1.188 0.364) 4.569 5.971 ( -2.065 5.393 -7.039) 9.105 6.054 ( 3.044 -7.953 -3.242) 9.112 6.260 ( 3.799 -1.298 -0.899) 4.115 6.709 ( -6.303 -3.354 11.950) 13.921 7.072 ( 3.096 -5.710 -1.352) 6.635 7.137 ( -8.360 -2.449 5.530) 10.318 7.366 ( -3.341 -9.273 -3.106) 10.335 7.509 ( 4.811 -16.092 0.907) 16.820 7.919 ( -6.283 -0.047 3.585) 7.234 8.667 ( -3.383 0.625 8.787) 9.437 8.932 ( 11.033 2.322 -6.390) 12.960 9.174 ( -0.531 -4.192 -6.491) 7.745 9.551 ( 3.530 -7.617 -3.834) 9.230 9.763 ( -4.798 -1.257 -0.840) 5.031 9.960 ( 1.634 -11.612 -3.012) 12.107 10.311 ( -9.023 -1.782 -5.536) 10.735 10.447 ( -5.173 -11.883 2.025) 13.117 10.995 ( -7.804 -2.752 -5.311) 9.833 11.230 ( 2.790 -9.860 5.527) 11.643 11.601 ( 6.501 -0.060 1.327) 6.635 11.912 ( 0.338 8.375 8.407) 11.872 12.105 ( 2.131 -14.879 0.445) 15.038 12.483 ( 5.692 -8.514 -7.299) 12.576 13.106 ( -3.657 0.601 -2.309) 4.366 13.740 ( -3.854 13.179 8.265) 16.026 14.226 ( -5.034 20.690 -2.180) 21.405 14.477 ( -0.152 8.893 1.832) 9.081 15.248 ( -5.463 -12.559 -3.802) 14.213 15.392 ( -7.687 -18.608 3.020) 20.359 16.532 ( 21.504 7.646 -3.063) 23.027 16.556 ( 14.435 14.269 0.549) 20.305 17.443 ( 1.046 -26.867 0.574) 26.894 18.559 ( -1.480 -7.345 -22.018) 23.258 20.303 ( -4.414 8.214 -1.604) 9.462 20.761 ( 2.281 12.637 2.136) 13.018 23.301 ( 0.739 -0.057 3.178) 3.263 23.806 ( -8.040 11.113 10.628) 17.352 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 4.572 -11.460 -3.184) 12.742 2.429 ( 16.961 -13.792 1.962) 21.949 2.615 ( -2.130 -1.453 -4.940) 5.573 2.758 ( -1.456 9.201 -1.437) 9.426 2.938 ( 0.091 2.681 -3.977) 4.797 3.026 ( -1.380 -5.301 -3.222) 6.355 3.063 ( -3.361 -5.962 -1.139) 6.938 3.232 ( -0.620 -0.187 -3.572) 3.630 3.325 ( -2.542 2.188 1.147) 3.544 3.476 ( -1.377 10.989 7.463) 13.355 3.626 ( -2.522 3.168 -0.455) 4.075 3.753 ( -0.298 7.051 3.454) 7.857 3.870 ( -3.851 0.240 -2.358) 4.522 4.165 ( 3.421 1.900 -0.044) 3.914 4.489 ( 5.867 -12.572 11.646) 18.114 4.660 ( -0.142 -6.882 -1.027) 6.960 4.829 ( 3.493 -8.737 -2.500) 9.736 4.982 ( 2.194 -4.218 -1.075) 4.875 5.088 ( -6.330 -4.420 1.544) 7.874 5.119 ( 2.294 -4.029 -2.634) 5.332 5.279 ( 2.696 4.921 2.159) 6.012 5.418 ( 2.541 2.089 4.890) 5.893 5.798 ( 0.624 6.170 -6.817) 9.216 5.881 ( -1.340 0.327 -2.470) 2.828 6.172 ( 4.130 -2.456 -2.735) 5.529 6.287 ( 0.773 -0.464 0.639) 1.105 6.787 ( 0.785 -5.065 8.963) 10.325 7.081 ( -9.118 -0.816 3.455) 9.784 7.167 ( 4.079 -0.046 -1.593) 4.379 7.451 ( -5.452 -5.164 -3.386) 8.237 7.803 ( 7.094 -10.027 1.875) 12.425 7.905 ( -7.021 -3.361 1.681) 7.963 8.648 ( -2.090 1.312 12.889) 13.123 8.978 ( 6.253 -1.020 -6.473) 9.057 9.212 ( 2.844 -1.647 -5.233) 6.180 9.596 ( -7.631 2.578 0.014) 8.055 9.773 ( 0.527 -4.958 -6.125) 7.898 10.133 ( 5.582 -4.743 -8.766) 11.424 10.284 ( -3.401 -2.619 -0.613) 4.336 10.550 ( -6.981 -3.377 -3.722) 8.602 11.033 ( -7.119 -13.886 -2.798) 15.854 11.373 ( 7.894 5.739 8.609) 13.014 11.603 ( 6.590 2.812 1.807) 7.389 11.844 ( -3.176 -1.126 5.770) 6.682 12.380 ( 2.459 -12.120 2.499) 12.617 12.586 ( 1.152 -1.920 -1.315) 2.597 13.128 ( -6.819 -7.682 -4.105) 11.061 13.556 ( -2.069 8.845 6.277) 11.041 13.841 ( -1.815 15.567 -1.403) 15.735 14.272 ( -0.138 13.460 0.099) 13.461 15.426 ( -6.851 -13.183 -0.407) 14.862 15.653 ( -7.500 -15.155 0.692) 16.924 16.357 ( 12.581 15.062 -0.252) 19.626 16.630 ( 19.650 3.668 -5.239) 20.664 17.865 ( 2.257 -18.045 3.656) 18.550 18.538 ( -7.879 -0.430 -14.242) 16.282 20.148 ( -1.674 5.894 -1.958) 6.433 20.597 ( 2.725 7.518 -1.791) 8.195 23.321 ( 0.428 -0.589 4.099) 4.163 23.624 ( -5.250 6.184 7.604) 11.119 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -3.583 9.850 -1.110) 10.540 2.553 ( -2.691 2.246 -2.494) 4.302 2.637 ( 2.631 1.442 -5.077) 5.897 2.708 ( -2.260 4.059 3.141) 5.608 2.849 ( 9.551 -7.673 -0.216) 12.253 3.047 ( -6.909 -1.261 -5.189) 8.732 3.161 ( -0.241 -2.879 2.181) 3.620 3.284 ( 0.706 0.749 -0.025) 1.030 3.337 ( -1.022 -6.455 -1.277) 6.659 3.348 ( 3.290 1.937 1.167) 3.993 3.592 ( -0.676 -1.235 -1.467) 2.034 3.715 ( 4.857 -0.142 1.942) 5.233 3.864 ( -0.760 -3.291 -5.968) 6.858 4.138 ( 0.912 3.270 0.228) 3.402 4.537 ( -0.894 7.380 6.491) 9.869 4.773 ( -5.622 -1.776 0.842) 5.956 4.901 ( -3.943 5.275 8.403) 10.677 5.009 ( 3.156 -7.299 4.781) 9.278 5.125 ( -6.192 -4.549 1.769) 7.885 5.179 ( 3.965 6.733 -0.863) 7.861 5.339 ( 5.217 -10.383 -6.590) 13.359 5.444 ( 2.836 -0.800 1.726) 3.415 5.658 ( -5.452 4.325 -3.886) 7.971 5.842 ( 0.915 4.209 -2.745) 5.108 6.204 ( 2.226 0.090 -1.521) 2.698 6.311 ( -0.379 -1.463 -0.770) 1.696 6.905 ( 4.139 -3.200 5.860) 7.856 7.047 ( -5.804 -2.442 3.230) 7.077 7.163 ( 0.695 2.119 -0.997) 2.443 7.444 ( -2.848 1.088 -3.486) 4.631 7.864 ( -3.798 3.205 4.336) 6.595 7.976 ( 5.520 -2.413 -1.093) 6.122 8.644 ( -1.042 1.991 12.953) 13.146 9.014 ( -2.662 -2.871 -6.694) 7.755 9.292 ( 9.041 -3.026 0.308) 9.539 9.438 ( -6.709 5.383 -4.499) 9.707 9.847 ( 2.232 -2.547 -4.512) 5.641 10.164 ( 3.484 1.737 -13.196) 13.758 10.268 ( -4.529 3.665 3.604) 6.851 10.558 ( 3.108 -4.051 -8.301) 9.746 11.191 ( 11.538 20.233 6.371) 24.148 11.297 ( -8.050 -19.641 0.567) 21.235 11.632 ( -4.112 -0.380 4.508) 6.113 11.867 ( -1.638 -0.788 3.966) 4.363 12.500 ( 1.953 -1.163 2.770) 3.583 12.618 ( -2.417 1.686 1.545) 3.327 13.167 ( 1.266 2.911 -1.476) 3.501 13.404 ( -2.470 -1.192 0.553) 2.797 13.800 ( 1.625 -6.726 -0.047) 6.919 14.068 ( -0.278 7.253 0.776) 7.299 15.577 ( -0.901 -6.812 2.285) 7.242 15.705 ( 1.652 7.037 -2.604) 7.682 16.305 ( -3.497 -5.215 1.869) 6.551 16.660 ( 2.683 1.426 -8.594) 9.115 18.068 ( 3.153 0.087 4.717) 5.674 18.438 ( 0.117 3.356 -9.621) 10.190 20.072 ( 0.483 1.614 -1.411) 2.197 20.566 ( 1.416 -3.331 -5.114) 6.265 23.337 ( -1.220 -0.100 4.633) 4.792 23.552 ( -1.852 0.295 6.431) 6.699 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -5.704 17.314 5.000) 18.903 2.276 ( -13.752 17.059 5.324) 22.549 2.633 ( 2.660 2.288 -3.978) 5.304 2.718 ( 2.318 -2.990 -3.442) 5.115 2.978 ( -6.277 -0.909 -4.625) 7.850 3.062 ( 4.472 -2.619 -4.156) 6.643 3.230 ( 5.362 -3.925 -1.802) 6.885 3.259 ( 0.326 -2.843 -4.000) 4.918 3.385 ( 2.826 -2.573 -1.863) 4.252 3.460 ( 2.896 -4.022 6.401) 8.095 3.634 ( 2.888 0.612 2.169) 3.664 3.810 ( 0.736 -7.463 0.986) 7.564 3.942 ( 1.413 -5.482 -6.451) 8.583 4.079 ( -1.121 3.186 1.688) 3.776 4.356 ( -4.726 10.077 6.170) 12.727 4.649 ( -9.814 4.613 3.648) 11.441 4.781 ( 0.067 11.064 4.739) 12.037 5.001 ( -1.809 7.000 -1.269) 7.341 5.122 ( -2.674 2.565 -0.620) 3.757 5.186 ( 3.688 -2.349 -2.197) 4.894 5.445 ( -5.110 0.152 0.272) 5.120 5.509 ( 4.830 -5.572 -2.820) 7.895 5.597 ( -6.556 -2.116 2.130) 7.211 5.797 ( 2.927 -0.422 -0.877) 3.084 6.194 ( -1.083 1.258 -4.409) 4.711 6.304 ( -0.314 2.121 -0.741) 2.269 6.973 ( -0.427 -1.870 5.340) 5.674 7.094 ( 1.697 -2.367 1.292) 3.186 7.110 ( -2.855 2.251 0.786) 3.719 7.359 ( 2.364 7.813 -1.189) 8.249 7.710 ( -3.066 11.703 1.391) 12.178 8.024 ( 7.233 2.187 1.813) 7.771 8.603 ( -4.039 3.099 10.455) 11.629 9.016 ( -4.585 -2.818 -6.425) 8.381 9.247 ( -6.521 5.007 -2.958) 8.738 9.519 ( 16.946 -5.201 1.062) 17.758 9.853 ( 0.954 3.219 -5.362) 6.327 10.063 ( -2.564 4.527 -10.456) 11.679 10.183 ( 1.298 4.745 0.321) 4.930 10.631 ( 7.708 2.297 -4.649) 9.290 10.948 ( 11.477 16.160 3.214) 20.080 11.509 ( -9.136 -3.025 5.001) 10.846 11.602 ( -9.248 -9.514 -2.021) 13.421 11.852 ( -0.972 1.022 6.091) 6.252 12.368 ( -4.165 17.707 4.768) 18.805 12.570 ( 0.357 -0.244 -2.459) 2.497 13.104 ( 6.664 4.321 -2.099) 8.215 13.602 ( 4.160 -13.543 2.364) 14.364 13.884 ( -1.432 -5.784 -1.942) 6.267 14.153 ( 1.418 -13.227 4.208) 13.952 15.487 ( 7.847 18.505 -2.319) 20.234 15.638 ( 5.995 4.853 1.597) 7.877 16.404 ( -14.500 -12.204 -2.085) 19.067 16.622 ( -19.298 -8.385 -5.027) 21.633 17.919 ( -0.244 17.603 5.562) 18.463 18.390 ( 16.176 8.788 -13.355) 22.743 20.106 ( 2.267 -4.616 -0.300) 5.151 20.698 ( -0.866 -12.066 -5.433) 13.261 23.324 ( -2.794 0.542 3.787) 4.738 23.618 ( 1.117 -5.983 8.279) 10.275 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -8.389 17.134 10.650) 21.849 1.867 ( -13.053 18.666 10.862) 25.235 2.529 ( -0.677 8.161 -8.374) 11.712 2.773 ( -0.739 0.492 -7.191) 7.245 2.926 ( -2.101 -1.855 -8.276) 8.738 3.112 ( 1.773 0.198 4.771) 5.093 3.208 ( 3.389 4.602 -6.253) 8.472 3.430 ( 2.375 -5.400 -6.157) 8.527 3.443 ( -0.699 -4.194 1.402) 4.477 3.558 ( 5.157 3.477 8.462) 10.502 3.603 ( 3.533 -3.151 6.334) 7.908 3.885 ( -5.017 5.281 6.518) 9.775 3.975 ( 0.009 -5.787 -1.835) 6.071 4.077 ( -2.097 -4.042 2.364) 5.131 4.286 ( -1.554 -5.035 -3.427) 6.286 4.527 ( -3.895 3.885 0.374) 5.514 4.580 ( 1.246 11.946 1.989) 12.174 4.837 ( -1.417 8.230 -9.611) 12.733 5.019 ( -2.434 5.084 0.823) 5.696 5.175 ( 1.323 5.503 -4.535) 7.253 5.399 ( -6.785 -0.776 3.414) 7.635 5.596 ( 3.800 -1.225 -1.119) 4.146 5.606 ( -9.055 -5.054 7.078) 12.555 5.899 ( 4.180 -6.048 -1.607) 7.525 6.124 ( -1.956 3.517 -7.383) 8.409 6.228 ( -0.735 5.326 -0.422) 5.393 6.967 ( -5.214 3.423 1.766) 6.483 7.034 ( -4.285 2.889 9.438) 10.760 7.130 ( 5.352 4.842 -4.925) 8.738 7.235 ( 5.587 6.697 6.106) 10.647 7.460 ( -0.391 14.075 -2.008) 14.223 8.033 ( 5.745 3.088 3.454) 7.381 8.549 ( -4.384 0.827 6.800) 8.133 9.003 ( -4.738 -0.249 -5.881) 7.556 9.127 ( -1.329 2.901 -3.893) 5.034 9.707 ( -0.517 4.795 -5.301) 7.167 9.723 ( 9.730 1.399 -1.258) 9.911 9.972 ( -4.339 3.005 -6.552) 8.413 10.132 ( 10.883 5.305 3.518) 12.608 10.520 ( 8.063 13.251 -3.186) 15.836 10.888 ( 8.080 3.115 1.395) 8.771 11.407 ( -5.521 5.534 -1.895) 8.043 11.592 ( -7.083 4.577 1.027) 8.496 11.918 ( 0.915 2.426 8.156) 8.558 12.084 ( -8.741 -0.226 2.817) 9.186 12.474 ( -0.777 11.048 -8.382) 13.889 13.124 ( 4.063 -1.938 -2.738) 5.269 13.830 ( 2.547 -10.715 5.104) 12.139 14.111 ( 4.725 -16.153 1.258) 16.877 14.409 ( 1.046 -11.982 4.052) 12.692 15.215 ( 5.696 17.110 -1.359) 18.084 15.504 ( 5.613 14.659 -1.487) 15.768 16.493 ( -13.288 -11.818 -2.536) 17.963 16.642 ( -26.624 -14.355 -1.812) 30.302 17.544 ( -2.064 24.010 0.974) 24.118 18.264 ( 21.738 19.844 -16.046) 33.523 20.252 ( 4.322 -8.396 0.417) 9.452 20.915 ( -3.221 -15.168 -4.242) 16.076 23.303 ( -2.787 0.037 2.953) 4.061 23.810 ( 2.480 -12.042 11.305) 16.702 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -13.823 15.587 14.354) 25.299 1.511 ( -6.270 17.279 19.628) 26.891 2.316 ( -0.851 13.555 -9.693) 16.685 2.613 ( -11.814 6.309 -9.023) 16.149 2.822 ( -1.470 19.340 10.744) 22.172 3.098 ( 7.729 -3.889 -6.056) 10.562 3.201 ( 0.117 -1.239 -0.701) 1.429 3.449 ( -0.801 -3.082 -0.309) 3.199 3.531 ( -3.829 -3.759 -2.525) 5.930 3.604 ( 3.414 -1.506 -1.460) 4.007 3.737 ( 4.994 -5.364 4.902) 8.817 3.871 ( 4.926 -3.674 1.817) 6.409 4.014 ( -7.244 -1.863 3.972) 8.469 4.144 ( -1.255 -3.823 5.215) 6.587 4.314 ( -5.504 3.443 -10.170) 12.065 4.435 ( 2.278 6.561 3.338) 7.706 4.480 ( 5.006 -2.061 -1.883) 5.732 4.712 ( 1.791 1.569 -10.941) 11.197 4.953 ( -2.567 1.781 2.165) 3.801 5.044 ( 0.220 6.277 -3.479) 7.180 5.383 ( -4.370 -1.545 1.250) 4.800 5.613 ( -3.152 -0.559 -1.275) 3.446 5.644 ( -3.138 -2.265 7.384) 8.337 5.974 ( 1.956 2.498 1.629) 3.566 6.015 ( -0.657 4.828 -8.627) 9.908 6.185 ( 1.581 -3.203 -2.366) 4.285 6.765 ( -1.217 14.584 1.808) 14.746 6.976 ( -6.507 2.464 11.491) 13.434 7.014 ( 3.070 9.094 6.404) 11.538 7.204 ( 0.825 11.977 -1.521) 12.102 7.283 ( 2.152 -1.816 -2.724) 3.918 8.037 ( 3.261 1.103 4.864) 5.959 8.532 ( 0.776 1.230 0.284) 1.482 8.926 ( -2.446 2.470 -4.807) 5.932 9.095 ( -1.485 0.754 -6.261) 6.478 9.539 ( -5.384 4.394 -3.667) 7.857 9.772 ( 3.335 3.452 2.194) 5.277 9.835 ( 0.057 8.070 -10.949) 13.602 10.159 ( 7.871 4.952 8.977) 12.925 10.392 ( 7.071 4.940 -8.638) 12.208 10.871 ( 1.630 5.290 1.918) 5.859 11.148 ( -1.486 20.690 -6.679) 21.792 11.488 ( -2.918 2.897 1.836) 4.503 11.760 ( 0.767 10.135 4.239) 11.013 12.131 ( -5.162 15.520 -7.821) 18.130 12.267 ( -5.099 -12.080 0.150) 13.113 13.201 ( 1.167 -4.479 -1.191) 4.780 14.111 ( 2.271 -17.753 8.108) 19.648 14.389 ( 1.771 -8.900 -0.063) 9.075 14.573 ( 7.947 -3.625 3.616) 9.454 15.038 ( 2.132 5.001 2.406) 5.945 15.285 ( 2.597 11.563 -1.038) 11.897 16.563 ( -4.851 -3.028 -1.631) 5.947 16.651 ( -22.475 -7.952 -0.904) 23.857 17.122 ( -5.811 17.010 -10.266) 20.701 17.960 ( 19.586 30.030 -9.665) 37.133 20.438 ( 5.204 -7.752 0.796) 9.371 21.129 ( -5.222 -13.721 -4.042) 15.227 23.292 ( -2.253 -0.296 2.478) 3.362 24.131 ( 3.173 -19.007 12.433) 22.933 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -8.937 10.352 18.527) 23.028 1.221 ( -4.091 17.542 22.767) 29.031 2.053 ( -4.984 11.493 23.061) 26.244 2.424 ( -5.315 3.476 -12.812) 14.300 2.525 ( 0.636 13.220 -7.072) 15.006 3.197 ( 2.242 -2.873 -1.135) 3.817 3.257 ( 1.928 -4.695 -4.897) 7.053 3.400 ( -5.566 4.721 4.089) 8.366 3.575 ( -3.951 -4.156 -2.337) 6.192 3.660 ( 6.729 -0.944 -8.259) 10.695 3.855 ( -1.334 -2.759 1.051) 3.240 3.926 ( 2.582 -0.419 -1.074) 2.828 4.045 ( -1.184 -3.490 2.629) 4.527 4.143 ( -2.942 4.707 -16.470) 17.380 4.204 ( 1.752 -0.697 7.350) 7.589 4.407 ( -3.288 -0.833 5.314) 6.304 4.562 ( 5.427 -1.280 -2.839) 6.257 4.811 ( 6.239 -9.049 -0.405) 10.999 4.851 ( -1.548 2.929 -0.010) 3.313 5.033 ( -2.423 -3.282 -0.440) 4.103 5.386 ( -2.064 -1.958 -3.663) 4.638 5.582 ( 2.685 2.634 -2.267) 4.392 5.632 ( -6.451 0.394 3.662) 7.428 5.820 ( -5.719 8.734 -6.650) 12.378 6.058 ( 11.770 -3.564 4.619) 13.136 6.301 ( 1.694 -7.188 -0.701) 7.418 6.530 ( 0.651 11.408 3.425) 11.929 6.896 ( -5.443 3.303 10.413) 12.205 6.921 ( 4.061 6.751 7.139) 10.632 6.994 ( -4.396 8.528 1.421) 9.699 7.344 ( -5.081 -5.132 -1.526) 7.381 8.079 ( 2.337 -2.178 4.064) 5.170 8.502 ( 5.901 4.125 -7.614) 10.479 8.875 ( 6.133 5.909 -2.931) 9.007 9.015 ( -4.483 2.402 -8.928) 10.275 9.353 ( -23.891 15.810 -6.406) 29.356 9.635 ( 1.421 5.862 -7.000) 9.240 9.709 ( 0.326 4.697 1.992) 5.112 10.103 ( 1.492 4.766 1.645) 5.259 10.407 ( 5.008 -0.107 -4.970) 7.056 10.678 ( -3.519 22.151 -7.655) 23.700 10.726 ( -1.900 10.130 -2.291) 10.558 11.416 ( -1.177 3.665 3.114) 4.951 11.582 ( 3.255 10.307 5.071) 11.939 11.955 ( 6.455 1.921 -2.761) 7.279 12.440 ( -5.675 -9.417 4.448) 11.861 13.276 ( 0.169 -3.428 -0.267) 3.443 14.307 ( -1.800 2.181 2.179) 3.571 14.561 ( 0.455 -14.935 -0.434) 14.948 14.727 ( 5.450 -3.465 2.801) 7.040 15.093 ( 0.785 -5.881 4.480) 7.434 15.249 ( 14.463 -6.572 6.037) 16.994 16.432 ( 0.742 12.997 0.734) 13.039 16.598 ( -8.536 -2.100 -7.590) 11.613 16.808 ( -12.931 13.827 -14.618) 23.919 17.586 ( 16.183 22.696 7.352) 28.828 20.590 ( 4.755 -4.607 1.531) 6.796 21.265 ( -7.127 -8.114 -5.161) 11.970 23.288 ( -1.459 -0.258 2.234) 2.681 24.528 ( 0.606 -19.372 5.661) 20.191 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 7.644 0.000 21.358) 22.685 1.325 ( 25.055 0.000 12.081) 27.816 2.027 ( -1.541 -0.000 11.323) 11.428 2.265 ( 3.742 0.000 -18.465) 18.840 2.752 ( 27.254 0.000 12.468) 29.970 3.084 ( -10.705 -0.000 -4.547) 11.630 3.196 ( -9.192 -0.000 6.235) 11.107 3.435 ( 9.062 0.000 -4.330) 10.043 3.489 ( -4.710 -0.000 2.736) 5.446 3.670 ( -7.705 -0.000 1.401) 7.831 3.773 ( 5.844 0.000 -10.011) 11.592 3.924 ( 3.278 0.000 -22.451) 22.689 4.000 ( -3.139 -0.000 4.352) 5.366 4.157 ( 5.761 0.000 -3.909) 6.962 4.252 ( -5.799 -0.000 5.275) 7.839 4.385 ( -4.627 -0.000 5.829) 7.443 4.545 ( -0.211 -0.000 0.917) 0.941 4.810 ( -16.554 -0.000 6.134) 17.654 4.839 ( 5.556 0.000 -0.412) 5.572 4.978 ( -5.517 -0.000 1.681) 5.767 5.379 ( 1.698 0.000 -7.261) 7.457 5.534 ( -2.464 -0.000 2.723) 3.673 5.613 ( 2.184 0.000 -2.979) 3.694 5.767 ( 14.112 0.000 -2.177) 14.279 6.263 ( -3.375 -0.000 -9.521) 10.101 6.442 ( -5.691 -0.000 5.086) 7.632 6.490 ( 0.945 0.000 4.309) 4.412 6.684 ( -11.751 -0.000 6.699) 13.526 6.868 ( -0.171 -0.000 3.060) 3.065 7.037 ( 5.007 0.000 6.037) 7.843 7.176 ( -6.140 -0.000 5.915) 8.526 8.133 ( -0.586 -0.000 2.040) 2.122 8.428 ( -0.597 -0.000 -4.867) 4.903 8.752 ( -1.498 -0.000 -1.395) 2.047 8.947 ( 6.111 0.000 -10.157) 11.853 9.118 ( 15.225 0.000 -2.539) 15.436 9.656 ( -0.698 -0.000 -0.362) 0.787 9.708 ( 5.659 0.000 5.379) 7.808 10.109 ( 4.765 0.000 -4.573) 6.604 10.393 ( -1.222 -0.000 2.898) 3.145 10.414 ( -5.517 -0.000 -7.194) 9.066 10.590 ( 2.031 0.000 -1.888) 2.774 11.387 ( -0.689 -0.000 3.675) 3.739 11.660 ( 7.506 0.000 -1.163) 7.596 11.998 ( -1.740 -0.000 -5.593) 5.857 12.574 ( 6.283 0.000 3.786) 7.336 13.307 ( -0.266 -0.000 -0.071) 0.275 14.283 ( 2.528 0.000 0.059) 2.528 14.589 ( -14.412 -0.000 10.260) 17.691 14.671 ( -1.154 -0.000 0.063) 1.155 15.169 ( -8.123 -0.000 -3.098) 8.694 15.433 ( -11.796 -0.000 -4.572) 12.651 16.282 ( -0.105 -0.000 -1.238) 1.242 16.447 ( -0.845 -0.000 1.047) 1.345 16.892 ( 28.111 0.000 -5.872) 28.718 18.011 ( 35.022 0.000 -19.019) 39.853 20.653 ( -5.673 -0.000 -1.021) 5.764 21.177 ( -1.821 -0.000 3.663) 4.091 23.300 ( 0.865 0.000 2.154) 2.321 24.473 ( -19.840 -0.000 10.411) 22.406 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 9.931 -16.253 16.805) 25.401 1.614 ( 24.730 -6.718 9.992) 27.506 2.039 ( 4.144 -2.278 -5.957) 7.606 2.399 ( 7.176 -11.839 -12.205) 18.456 2.938 ( -12.023 2.990 -4.126) 13.058 3.053 ( 20.749 -4.700 12.464) 24.657 3.192 ( -6.910 -3.773 4.706) 9.172 3.427 ( 5.743 6.358 -1.531) 8.704 3.467 ( -0.106 -0.792 6.220) 6.271 3.582 ( -5.450 2.447 1.771) 6.231 3.835 ( 3.910 -2.144 -6.297) 7.716 3.939 ( -0.183 -1.423 -9.390) 9.499 3.985 ( 1.165 -1.449 -3.582) 4.036 4.074 ( -1.328 8.727 -1.474) 8.949 4.243 ( -5.369 -3.463 -0.099) 6.389 4.376 ( -2.303 0.991 6.594) 7.055 4.583 ( 0.619 -3.407 0.023) 3.463 4.627 ( -9.249 5.768 1.811) 11.050 4.907 ( 3.926 -2.452 -0.696) 4.680 4.960 ( 0.645 -2.008 -1.016) 2.341 5.409 ( 3.980 -0.002 -1.983) 4.446 5.548 ( -0.467 -4.689 -0.083) 4.713 5.663 ( 0.034 -2.675 0.483) 2.718 5.897 ( 12.114 -3.056 -2.284) 12.700 6.157 ( -7.649 4.154 -7.131) 11.252 6.303 ( -2.071 7.117 2.765) 7.911 6.553 ( -6.630 -5.968 9.806) 13.256 6.724 ( -5.831 -9.895 1.099) 11.538 6.924 ( -0.630 -5.931 1.503) 6.151 7.120 ( -1.738 -2.642 3.556) 4.759 7.167 ( 2.557 -3.491 2.724) 5.114 8.059 ( -2.414 6.489 1.889) 7.177 8.526 ( -1.760 -9.026 -2.675) 9.577 8.883 ( -5.780 -13.062 -0.736) 14.302 9.021 ( 8.324 -3.587 -9.717) 13.289 9.219 ( 6.028 -3.483 3.205) 7.664 9.627 ( 0.912 0.617 -1.719) 2.042 9.764 ( -0.008 -0.218 4.223) 4.228 10.136 ( -0.832 -1.815 -2.910) 3.530 10.334 ( -6.014 0.121 -5.053) 7.856 10.620 ( 2.567 -18.353 0.438) 18.537 10.727 ( 1.862 -13.334 -2.093) 13.625 11.428 ( -0.232 -4.198 3.630) 5.555 11.752 ( 6.960 -4.418 -3.937) 9.136 11.975 ( 1.315 -0.343 -5.270) 5.442 12.571 ( 7.820 6.904 1.864) 10.597 13.265 ( -0.915 4.162 -0.045) 4.262 14.278 ( -6.767 10.417 8.315) 14.948 14.426 ( -1.768 -1.565 1.743) 2.935 14.705 ( -3.533 -0.049 -1.456) 3.821 14.997 ( -19.635 0.526 -6.155) 20.584 15.268 ( 6.850 11.399 2.233) 13.485 16.446 ( -0.225 -16.353 -0.952) 16.383 16.543 ( 2.916 -8.382 1.293) 8.968 17.051 ( 21.736 4.141 -5.132) 22.715 18.273 ( 26.168 -5.253 -27.519) 38.336 20.548 ( -8.401 4.613 -1.497) 9.700 21.132 ( 1.148 6.268 5.470) 8.398 23.311 ( 1.307 0.331 2.357) 2.716 24.242 ( -17.883 10.375 13.791) 24.852 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 9.368 -11.154 10.618) 18.025 1.964 ( 22.282 -10.783 5.182) 25.290 2.210 ( 6.414 -14.694 -12.665) 20.432 2.661 ( 10.353 -11.414 -7.543) 17.157 2.804 ( -10.322 -0.194 -7.124) 12.544 3.124 ( -9.158 -0.660 5.489) 10.697 3.175 ( 2.928 7.276 -1.846) 8.057 3.335 ( 1.065 6.818 -0.341) 6.909 3.501 ( -3.546 3.471 2.586) 5.595 3.679 ( 8.474 -9.206 11.805) 17.202 3.795 ( -4.946 4.117 5.949) 8.764 3.872 ( -2.485 6.380 -1.982) 7.128 3.937 ( 2.445 1.169 4.437) 5.199 4.106 ( 5.150 -5.505 -2.382) 7.906 4.234 ( -3.261 4.511 3.374) 6.509 4.351 ( 2.085 -3.657 -5.434) 6.873 4.565 ( 0.291 -4.820 -6.195) 7.855 4.688 ( 1.711 -7.214 -3.193) 8.072 4.952 ( -2.030 -2.592 0.436) 3.321 5.055 ( 5.263 -3.974 -2.897) 7.203 5.425 ( 5.889 1.660 3.979) 7.299 5.560 ( -0.141 5.071 0.552) 5.102 5.790 ( 0.597 -10.476 2.122) 10.706 5.983 ( -3.045 2.208 0.366) 3.779 6.023 ( 2.460 2.311 -7.500) 8.225 6.260 ( 2.666 -1.981 -0.911) 3.445 6.609 ( -8.773 -5.242 13.204) 16.697 6.905 ( -2.187 -12.877 -2.644) 13.326 7.023 ( -4.305 -5.144 4.039) 7.830 7.166 ( -3.646 -8.473 -3.664) 9.925 7.331 ( 7.323 -8.257 -0.376) 11.043 7.929 ( -4.764 4.912 4.299) 8.081 8.631 ( -2.523 -4.392 4.237) 6.603 8.976 ( -1.893 -2.042 -5.943) 6.563 9.137 ( 8.684 -3.494 -5.634) 10.925 9.405 ( 2.761 -12.026 3.073) 12.716 9.692 ( 1.423 -6.321 -0.986) 6.554 9.744 ( -7.526 -2.814 1.316) 8.142 10.154 ( -8.047 -4.520 -2.747) 9.630 10.301 ( -3.516 -2.832 -4.431) 6.326 10.862 ( -3.208 -6.529 -2.236) 7.611 11.007 ( -0.365 -17.759 2.189) 17.897 11.538 ( 0.103 -6.885 3.450) 7.702 11.907 ( 4.220 -9.577 -3.910) 11.172 12.027 ( 4.966 -1.230 1.261) 5.269 12.506 ( 9.610 6.225 -3.073) 11.855 13.156 ( -2.615 6.352 -0.233) 6.873 13.970 ( -7.349 15.323 9.150) 19.301 14.481 ( -8.500 15.167 -5.550) 18.250 14.539 ( 3.525 -3.705 0.014) 5.114 15.002 ( -11.484 -10.844 -0.341) 15.799 15.186 ( 3.900 1.133 1.447) 4.312 16.692 ( 10.084 -6.603 0.133) 12.054 16.795 ( 6.083 -9.284 5.003) 12.175 17.124 ( 15.805 -3.274 -6.326) 17.335 18.417 ( 8.503 -2.514 -27.635) 29.022 20.382 ( -7.357 6.326 -1.296) 9.789 21.001 ( 1.976 11.322 4.372) 12.297 23.321 ( 1.442 0.440 2.869) 3.241 23.953 ( -12.889 11.410 12.438) 21.237 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 8.326 -9.360 -1.220) 12.586 2.348 ( 19.804 -12.649 -0.038) 23.499 2.479 ( 0.948 -11.307 -5.359) 12.548 2.756 ( -3.514 -5.232 -7.533) 9.822 2.902 ( 6.335 -5.751 -4.139) 9.505 3.041 ( -4.560 4.154 0.437) 6.184 3.044 ( -0.703 6.371 0.361) 6.419 3.226 ( -3.330 3.058 1.038) 4.639 3.396 ( -2.749 6.480 0.714) 7.075 3.615 ( -4.266 5.244 4.142) 7.928 3.702 ( -3.558 8.387 1.892) 9.304 3.818 ( -0.463 0.230 0.650) 0.830 3.957 ( 1.025 10.038 3.952) 10.836 4.197 ( 1.321 -1.063 2.795) 3.269 4.313 ( 9.388 -14.420 16.044) 23.526 4.496 ( 2.387 -10.142 -11.524) 15.536 4.730 ( 5.633 -9.245 -4.798) 11.842 4.841 ( 2.038 -10.089 -3.938) 11.020 4.964 ( -4.345 -2.097 2.103) 5.263 5.111 ( 0.651 -0.048 -2.486) 2.570 5.422 ( 2.237 7.250 3.832) 8.499 5.495 ( 4.983 0.976 4.361) 6.693 5.841 ( -8.651 1.440 -2.561) 9.136 5.889 ( 0.906 3.775 -1.529) 4.172 6.099 ( 3.270 -7.450 -1.638) 8.299 6.333 ( 6.430 0.067 -2.568) 6.925 6.695 ( -3.431 -7.543 12.138) 14.697 6.991 ( -7.265 -2.078 1.913) 7.794 7.149 ( 3.974 -8.068 -2.025) 9.218 7.280 ( -4.939 -7.582 -4.254) 9.999 7.565 ( 2.309 -14.552 -3.890) 15.239 7.864 ( -3.246 -0.077 7.067) 7.777 8.669 ( -1.719 -0.745 9.889) 10.065 8.952 ( -4.425 -0.623 -5.675) 7.224 9.247 ( 12.575 -1.174 -4.313) 13.346 9.587 ( -2.744 0.129 2.347) 3.614 9.659 ( -2.348 -5.482 -6.202) 8.604 9.973 ( 1.361 -16.259 -0.483) 16.323 10.162 ( -6.476 -5.627 -4.150) 9.530 10.359 ( -6.126 -7.592 -2.253) 10.013 10.847 ( -6.767 -1.641 -7.727) 10.402 11.311 ( 3.328 -13.026 8.302) 15.801 11.665 ( 1.024 -6.079 3.070) 6.887 11.967 ( 0.504 9.974 6.972) 12.180 12.161 ( 6.351 -13.741 -2.851) 15.404 12.544 ( 5.461 -3.027 -4.160) 7.503 13.025 ( -5.665 3.618 -1.254) 6.838 13.717 ( -3.995 10.758 7.492) 13.705 14.118 ( -5.320 17.894 -3.256) 18.950 14.498 ( 1.398 10.578 -0.687) 10.693 15.120 ( -7.935 -13.379 -0.929) 15.583 15.326 ( -3.164 -13.410 1.747) 13.889 16.774 ( 13.716 16.390 1.442) 21.421 16.863 ( 18.575 0.849 -0.980) 18.620 17.506 ( 6.797 -24.750 0.233) 25.667 18.392 ( -6.258 -1.442 -21.300) 22.247 20.227 ( -3.876 5.611 -1.833) 7.061 20.804 ( 1.616 13.044 1.507) 13.229 23.333 ( 1.228 0.212 3.667) 3.873 23.718 ( -8.568 8.405 9.031) 15.020 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.392 -6.482 -5.359) 9.488 2.552 ( -0.605 -2.604 -5.358) 5.988 2.684 ( 7.264 -0.660 -2.076) 7.583 2.745 ( 4.713 -1.670 -0.755) 5.057 2.874 ( -3.882 7.649 0.983) 8.633 3.020 ( 0.367 2.324 -1.342) 2.708 3.038 ( -0.157 -11.858 1.247) 11.924 3.209 ( -0.014 -0.559 -2.659) 2.717 3.279 ( -3.165 0.689 0.774) 3.330 3.542 ( 5.323 8.376 5.992) 11.593 3.564 ( -4.559 2.213 -1.459) 5.273 3.797 ( 3.189 3.602 2.902) 5.619 3.825 ( -0.010 1.605 -3.228) 3.605 4.200 ( 1.141 2.366 -0.946) 2.792 4.589 ( -2.265 -2.515 -2.170) 4.021 4.657 ( 2.963 -10.260 10.281) 14.824 4.873 ( 0.357 -5.475 -1.463) 5.678 4.938 ( -4.492 -3.414 7.225) 9.167 5.034 ( -1.638 -0.157 3.012) 3.433 5.152 ( 3.919 -11.056 -7.466) 13.904 5.326 ( 0.836 5.797 1.652) 6.085 5.507 ( 5.777 3.102 2.260) 6.936 5.702 ( -7.538 5.699 -2.210) 9.705 5.866 ( 0.096 -0.058 -3.286) 3.288 6.227 ( 2.876 -4.250 -1.850) 5.455 6.320 ( 3.986 4.794 -0.767) 6.281 6.862 ( 1.145 -9.018 8.821) 12.667 6.957 ( -5.627 -0.248 1.656) 5.871 7.220 ( 2.582 2.686 -1.209) 3.917 7.367 ( -1.819 -6.869 -3.518) 7.929 7.778 ( -6.653 -9.714 -1.749) 11.904 7.930 ( 4.757 -5.645 3.665) 8.242 8.688 ( -1.089 0.390 11.226) 11.285 8.921 ( -5.467 -1.951 -4.639) 7.430 9.335 ( 3.659 1.351 1.259) 4.098 9.483 ( 3.212 2.334 -4.372) 5.906 9.790 ( 4.300 -5.472 -6.191) 9.315 10.126 ( -1.357 -4.342 -8.490) 9.631 10.273 ( -0.869 -2.172 2.056) 3.115 10.423 ( -4.997 -9.851 -5.603) 12.386 10.903 ( -6.884 -13.906 -5.572) 16.487 11.506 ( 3.881 -1.928 10.190) 11.073 11.709 ( 5.137 10.961 2.131) 12.292 11.823 ( -2.689 -1.031 5.770) 6.449 12.448 ( 4.405 -10.577 0.758) 11.482 12.590 ( 0.626 -1.034 -0.602) 1.350 12.997 ( -7.675 -8.397 -2.924) 11.746 13.540 ( -2.558 10.033 3.944) 11.080 13.835 ( 1.328 9.085 0.675) 9.207 14.263 ( -0.861 14.224 -2.299) 14.434 15.324 ( -5.866 -15.680 0.901) 16.766 15.537 ( -7.047 -14.265 0.059) 15.910 16.546 ( 10.585 20.199 1.561) 22.857 16.891 ( 16.058 12.414 -5.196) 20.951 17.948 ( 5.746 -17.465 2.313) 18.531 18.339 ( -8.598 -5.892 -12.356) 16.165 20.124 ( -0.166 3.737 -2.432) 4.462 20.613 ( 0.442 8.643 -2.054) 8.895 23.346 ( 0.153 0.325 4.552) 4.566 23.575 ( -4.860 3.658 6.512) 8.911 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -1.754 12.870 2.596) 13.246 2.483 ( -4.333 11.847 1.363) 12.688 2.636 ( 0.258 -1.983 -5.405) 5.763 2.692 ( 0.228 1.532 0.834) 1.759 2.932 ( -2.426 0.662 -7.105) 7.537 3.034 ( 9.340 -6.353 0.563) 11.310 3.164 ( -0.376 -2.482 0.713) 2.610 3.293 ( 0.506 -1.303 -0.213) 1.414 3.335 ( 1.673 -10.839 -1.232) 11.037 3.418 ( 4.311 6.633 1.442) 8.041 3.556 ( -3.249 -4.755 -0.918) 5.832 3.797 ( 3.926 0.695 1.011) 4.113 3.876 ( 6.511 -3.992 -5.740) 9.553 4.127 ( -2.459 4.411 -1.549) 5.282 4.520 ( -5.791 6.031 5.520) 10.019 4.677 ( -5.290 7.217 4.499) 10.016 4.893 ( -1.254 0.308 5.858) 5.999 5.049 ( -5.802 -2.484 4.485) 7.743 5.074 ( 2.438 -6.624 3.653) 7.948 5.184 ( -0.903 6.029 -5.431) 8.165 5.362 ( -0.636 -7.432 0.872) 7.510 5.508 ( 0.132 5.488 0.633) 5.525 5.566 ( 1.491 -0.338 -5.533) 5.741 5.836 ( 0.241 2.187 -3.601) 4.220 6.243 ( 3.038 4.880 -1.537) 5.951 6.300 ( -0.535 -1.678 -0.924) 1.989 6.933 ( -5.586 -1.625 2.597) 6.371 7.039 ( 4.421 -6.390 4.861) 9.165 7.153 ( -2.134 4.303 2.621) 5.472 7.435 ( 3.435 -0.645 -2.108) 4.082 7.800 ( -4.850 1.035 0.684) 5.006 8.067 ( 4.775 -3.447 0.492) 5.910 8.661 ( -3.606 3.667 8.949) 10.321 8.911 ( -5.529 -2.572 -4.193) 7.401 9.269 ( -3.272 2.262 0.091) 3.979 9.595 ( 18.559 -2.240 -1.845) 18.784 9.866 ( 2.302 -1.437 -4.028) 4.857 10.102 ( -3.543 4.513 -15.012) 16.071 10.216 ( -2.534 -0.089 3.259) 4.129 10.604 ( 6.040 -8.399 -5.475) 11.705 11.131 ( -11.847 -19.575 -2.926) 23.067 11.391 ( 9.663 20.107 5.438) 22.961 11.579 ( -5.353 4.444 5.981) 9.175 11.864 ( -1.143 -1.106 4.414) 4.692 12.515 ( -1.519 -1.688 0.542) 2.335 12.602 ( -0.513 6.593 3.443) 7.456 13.179 ( 1.097 -10.490 -2.121) 10.758 13.397 ( 0.879 -1.252 1.849) 2.400 13.827 ( 1.745 -1.418 -0.638) 2.337 14.065 ( -0.454 3.283 0.642) 3.376 15.561 ( -2.215 -14.277 2.511) 14.665 15.678 ( -3.003 -5.398 -2.960) 6.849 16.284 ( -0.036 13.478 2.050) 13.633 16.656 ( 1.538 19.230 -7.238) 20.604 18.105 ( -1.469 2.325 3.430) 4.396 18.461 ( 8.061 -8.766 -9.595) 15.294 20.087 ( 2.251 0.538 -1.838) 2.955 20.539 ( -1.647 -2.188 -4.766) 5.497 23.332 ( -1.921 1.488 4.407) 5.032 23.558 ( -1.254 -2.683 6.582) 7.217 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -4.037 19.079 8.359) 21.217 2.157 ( -4.911 19.185 8.138) 21.410 2.632 ( 0.728 3.936 -4.078) 5.714 2.759 ( 4.262 -4.172 -4.854) 7.689 2.880 ( -1.306 1.138 -7.275) 7.479 3.099 ( 1.378 1.137 -1.912) 2.617 3.241 ( -0.348 -4.009 -3.965) 5.649 3.315 ( 5.120 -3.232 -3.550) 7.019 3.395 ( -0.398 -2.094 -1.992) 2.918 3.519 ( 0.486 -6.684 6.114) 9.071 3.689 ( 2.188 -7.400 1.783) 7.920 3.838 ( 1.060 -1.494 3.241) 3.723 3.953 ( 3.860 -0.767 -4.715) 6.142 4.059 ( -1.634 0.117 -0.548) 1.727 4.303 ( -5.505 13.160 7.070) 15.921 4.543 ( -4.639 2.754 2.650) 6.010 4.799 ( 0.232 10.960 2.198) 11.180 4.959 ( -1.667 7.680 -2.915) 8.382 5.064 ( -4.420 2.252 0.468) 4.983 5.211 ( 1.415 -2.471 -3.692) 4.663 5.361 ( -4.701 3.783 -1.071) 6.129 5.461 ( -7.053 -5.161 7.005) 11.200 5.631 ( 6.575 -0.899 -4.120) 7.812 5.840 ( 3.149 -3.003 -2.130) 4.845 6.164 ( -0.330 4.475 -3.384) 5.620 6.293 ( -0.321 2.237 -1.463) 2.692 6.925 ( -6.856 -1.770 3.722) 7.999 7.068 ( -3.886 3.663 7.303) 9.047 7.166 ( 5.419 -2.793 -0.123) 6.097 7.430 ( 5.536 5.578 2.111) 8.137 7.673 ( -2.354 9.938 -0.046) 10.213 8.115 ( 2.566 1.396 1.000) 3.088 8.573 ( -2.716 3.994 6.077) 7.762 8.906 ( -6.182 -3.280 -3.339) 7.754 9.213 ( 2.817 4.559 -2.487) 5.908 9.765 ( 10.319 -0.402 -1.100) 10.385 9.835 ( 1.961 4.905 -4.202) 6.750 9.954 ( -3.950 2.219 -10.254) 11.210 10.247 ( 6.233 -0.387 0.773) 6.292 10.731 ( 7.249 1.094 -2.823) 7.856 11.106 ( 4.622 14.618 1.580) 15.412 11.364 ( -9.685 -12.976 0.912) 16.217 11.451 ( -7.811 2.969 0.494) 8.371 11.864 ( -1.142 0.221 6.237) 6.344 12.349 ( -1.613 18.452 5.585) 19.346 12.549 ( -0.906 -0.209 -2.618) 2.779 13.195 ( 5.945 5.293 -1.934) 8.191 13.648 ( -0.848 -13.524 1.033) 13.590 13.874 ( 1.463 -11.468 -1.155) 11.619 14.203 ( 2.183 -12.635 5.176) 13.827 15.583 ( 5.263 16.116 -3.078) 17.230 15.748 ( 7.163 0.157 1.833) 7.395 16.178 ( -12.707 -7.731 -1.172) 14.920 16.328 ( -13.348 6.112 -4.363) 15.315 17.917 ( -2.366 17.733 3.383) 18.207 18.590 ( 15.614 3.415 -14.478) 21.565 20.152 ( 3.634 -5.798 -0.365) 6.853 20.632 ( -4.109 -11.484 -4.623) 13.044 23.300 ( -2.154 1.039 3.543) 4.274 23.664 ( -0.363 -8.048 8.798) 11.930 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -3.466 20.202 12.252) 23.880 1.830 ( -1.416 17.940 14.254) 22.957 2.502 ( 3.338 9.943 -11.091) 15.265 2.680 ( -2.748 10.414 -8.893) 13.968 2.944 ( 4.571 -7.083 -6.242) 10.489 3.141 ( -0.917 -2.261 1.931) 3.112 3.217 ( 1.824 4.251 -6.190) 7.727 3.397 ( -2.753 -3.742 -4.571) 6.518 3.455 ( 0.526 -2.843 3.908) 4.862 3.655 ( 1.063 6.740 9.554) 11.740 3.665 ( -0.177 -3.715 7.747) 8.593 3.860 ( -2.287 -1.666 3.120) 4.211 3.977 ( -0.257 0.817 -0.215) 0.883 4.051 ( -0.970 -3.260 5.918) 6.826 4.225 ( -3.024 -6.153 -5.414) 8.736 4.500 ( 0.836 2.026 -4.076) 4.628 4.613 ( 2.123 10.067 0.334) 10.293 4.782 ( 0.717 8.425 -11.602) 14.356 4.987 ( -2.251 3.327 3.478) 5.314 5.158 ( 0.392 6.412 -5.810) 8.661 5.317 ( -4.972 -2.051 2.640) 5.991 5.516 ( -5.615 -4.341 6.508) 9.629 5.668 ( 4.719 0.381 0.152) 4.736 5.954 ( 3.582 -6.255 -1.679) 7.401 6.071 ( -0.762 4.872 -6.211) 7.931 6.216 ( 0.003 4.935 -1.582) 5.182 6.885 ( -7.089 1.878 4.354) 8.528 6.990 ( -4.483 4.003 9.737) 11.443 7.216 ( 5.710 2.540 -2.635) 6.782 7.328 ( 2.214 9.573 7.667) 12.463 7.454 ( 0.221 13.273 -1.957) 13.418 8.079 ( -2.462 2.345 2.930) 4.488 8.547 ( 3.123 0.195 2.404) 3.946 8.900 ( -5.496 -1.604 -3.090) 6.507 9.144 ( 4.529 5.345 -3.876) 8.006 9.624 ( -3.061 8.881 -8.185) 12.459 9.866 ( 5.568 2.596 1.621) 6.354 9.884 ( -1.942 2.256 -8.927) 9.410 10.316 ( 8.984 1.051 3.482) 9.692 10.592 ( 1.633 14.627 -1.468) 14.791 11.008 ( 5.733 6.245 2.780) 8.922 11.330 ( -3.364 3.869 -3.934) 6.463 11.468 ( -6.834 -4.105 0.323) 7.978 11.933 ( -4.098 -9.383 7.221) 12.529 12.029 ( -0.228 17.240 5.535) 18.108 12.433 ( 1.351 12.983 -9.594) 16.200 13.160 ( 2.126 0.431 -3.107) 3.789 13.830 ( -4.110 -13.958 4.054) 15.104 14.204 ( 4.512 -16.643 2.118) 17.373 14.464 ( 2.473 -12.938 5.150) 14.144 15.279 ( 3.434 19.042 -2.346) 19.491 15.587 ( 3.863 18.506 0.071) 18.905 16.259 ( -14.260 -12.792 -3.860) 19.542 16.367 ( -4.465 -14.545 -0.149) 15.216 17.501 ( -2.894 26.501 -0.989) 26.677 18.503 ( 17.263 17.020 -18.260) 30.350 20.322 ( 3.869 -9.277 0.582) 10.068 20.821 ( -5.870 -14.852 -2.704) 16.197 23.283 ( -1.504 0.220 2.920) 3.292 23.871 ( -1.519 -13.980 11.502) 18.167 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 4.627 17.212 14.815) 23.176 1.571 ( 0.620 16.860 20.179) 26.303 2.272 ( -0.959 14.872 -9.600) 17.727 2.478 ( 2.889 7.498 -13.912) 16.066 2.895 ( 3.964 20.115 12.931) 24.239 3.145 ( -4.266 -2.976 -4.112) 6.631 3.191 ( 5.244 -2.865 -4.036) 7.211 3.395 ( -6.165 -0.495 3.109) 6.922 3.470 ( -2.410 -2.252 0.258) 3.309 3.630 ( -0.765 -3.686 -1.077) 3.916 3.806 ( 0.825 -3.332 4.581) 5.724 3.925 ( 0.612 -1.869 1.223) 2.316 3.956 ( -1.694 -6.018 3.089) 6.974 4.163 ( -0.750 -2.946 -0.468) 3.076 4.186 ( -2.001 2.560 -5.571) 6.449 4.437 ( -1.396 6.393 -3.766) 7.550 4.547 ( 3.791 -3.349 -0.173) 5.061 4.715 ( 1.415 -1.069 -8.795) 8.972 4.926 ( -0.996 4.116 2.756) 5.053 5.038 ( 0.611 5.149 -2.654) 5.825 5.331 ( -1.678 -2.295 0.342) 2.863 5.544 ( -2.702 -2.157 2.575) 4.311 5.703 ( 4.947 1.459 1.522) 5.378 5.925 ( -3.002 8.652 -5.640) 10.756 6.078 ( 5.422 -4.160 3.139) 7.521 6.187 ( 0.949 -3.180 -5.204) 6.172 6.746 ( -2.870 10.318 3.804) 11.365 6.904 ( -6.783 3.342 11.857) 14.063 7.121 ( 5.236 10.224 5.640) 12.797 7.200 ( -1.561 14.425 -2.339) 14.697 7.271 ( -3.217 0.356 2.626) 4.168 8.047 ( -3.827 -1.315 3.544) 5.379 8.595 ( 7.487 0.898 -2.395) 7.912 8.871 ( -1.115 -0.735 -4.587) 4.777 9.076 ( 2.390 5.078 -5.910) 8.150 9.445 ( -5.065 7.520 -0.209) 9.069 9.768 ( -1.069 8.460 -11.372) 14.214 9.815 ( 0.640 5.110 1.574) 5.385 10.273 ( 1.432 11.048 5.085) 12.246 10.434 ( 2.138 1.536 -5.948) 6.504 10.881 ( -0.868 10.976 1.628) 11.130 11.100 ( -1.063 21.136 -6.230) 22.061 11.476 ( 0.535 2.110 1.514) 2.652 11.799 ( 2.034 11.468 2.436) 11.899 12.038 ( -4.593 1.827 -0.219) 4.947 12.256 ( 5.214 -3.666 -4.493) 7.798 13.203 ( -0.175 -4.237 -1.013) 4.360 14.111 ( -5.419 -19.830 7.422) 21.855 14.418 ( 2.552 -3.489 -0.551) 4.358 14.688 ( 1.669 -8.643 3.067) 9.322 15.065 ( 1.824 5.045 1.168) 5.490 15.337 ( -1.136 9.157 2.847) 9.657 16.374 ( -4.128 -9.687 -4.898) 11.613 16.565 ( 2.686 -4.811 1.564) 5.728 17.019 ( -1.803 22.453 -8.659) 24.132 18.213 ( 18.782 26.336 -16.909) 36.500 20.506 ( 2.310 -8.305 0.867) 8.664 21.015 ( -6.413 -12.836 -1.132) 14.394 23.281 ( -0.680 -0.213 2.496) 2.596 24.169 ( -5.469 -19.344 12.310) 23.572 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 13.186 0.000 17.110) 21.601 1.783 ( 26.038 0.000 7.685) 27.149 2.098 ( 7.079 0.000 0.324) 7.086 2.283 ( 8.115 0.000 -14.972) 17.029 2.872 ( -12.763 -0.000 -3.407) 13.210 3.054 ( -12.600 -0.000 6.776) 14.307 3.275 ( 26.750 0.000 7.678) 27.830 3.456 ( -0.516 -0.000 7.127) 7.146 3.564 ( 6.504 0.000 -1.127) 6.601 3.586 ( 0.023 0.000 1.756) 1.757 3.798 ( 3.664 0.000 -12.207) 12.745 3.909 ( 0.904 0.000 -4.843) 4.927 3.983 ( 1.875 0.000 -2.864) 3.424 4.166 ( -6.323 -0.000 1.028) 6.406 4.190 ( 2.286 0.000 -4.672) 5.202 4.254 ( -12.733 -0.000 4.392) 13.469 4.605 ( 3.774 0.000 5.003) 6.267 4.611 ( -12.151 -0.000 4.885) 13.096 4.937 ( 7.399 0.000 -1.927) 7.645 4.939 ( 0.845 0.000 -0.993) 1.303 5.392 ( 3.233 0.000 -2.680) 4.199 5.520 ( -1.143 -0.000 2.238) 2.513 5.652 ( 3.459 0.000 -1.506) 3.773 5.964 ( 11.522 0.000 -1.927) 11.682 6.102 ( -11.089 -0.000 -6.864) 13.041 6.347 ( -7.883 -0.000 2.147) 8.170 6.433 ( -14.552 -0.000 16.187) 21.767 6.602 ( 1.848 0.000 -6.520) 6.777 6.871 ( -0.742 -0.000 0.850) 1.129 7.121 ( -3.824 -0.000 3.519) 5.197 7.143 ( 6.262 0.000 1.832) 6.525 8.125 ( -1.480 -0.000 -0.943) 1.755 8.415 ( 1.118 0.000 -1.337) 1.743 8.674 ( -7.076 -0.000 2.281) 7.434 9.047 ( 11.136 0.000 -11.732) 16.175 9.250 ( 2.549 0.000 4.177) 4.893 9.613 ( -4.945 -0.000 -0.834) 5.015 9.801 ( -2.693 -0.000 10.508) 10.847 10.151 ( 0.846 0.000 -6.867) 6.919 10.349 ( 3.374 0.000 -1.638) 3.751 10.385 ( -0.764 -0.000 1.790) 1.946 10.630 ( 3.637 0.000 -1.259) 3.848 11.397 ( -0.142 -0.000 3.895) 3.898 11.758 ( 5.485 0.000 -6.060) 8.174 11.987 ( 7.134 0.000 -7.535) 10.376 12.692 ( 6.237 0.000 2.647) 6.776 13.296 ( -1.226 -0.000 -0.050) 1.227 14.338 ( 4.181 0.000 0.153) 4.184 14.409 ( -15.581 -0.000 13.289) 20.479 14.645 ( -2.094 -0.000 -0.038) 2.094 14.844 ( -16.416 -0.000 -13.817) 21.457 15.467 ( 7.227 0.000 0.779) 7.268 16.271 ( -0.510 -0.000 -1.358) 1.451 16.436 ( -1.139 -0.000 1.108) 1.589 17.265 ( 21.981 0.000 -2.168) 22.087 18.406 ( 28.457 0.000 -30.249) 41.531 20.509 ( -10.244 -0.000 -1.630) 10.373 21.214 ( 2.019 0.000 6.045) 6.374 23.332 ( 1.834 0.000 2.518) 3.115 24.211 ( -19.993 -0.000 14.396) 24.637 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 12.942 -13.831 14.245) 23.700 2.026 ( 19.719 -2.906 9.790) 22.206 2.126 ( 13.501 -1.053 -15.175) 20.339 2.488 ( 9.344 -14.257 -6.737) 18.329 2.725 ( -12.242 2.848 -3.142) 12.956 3.012 ( -12.741 -3.571 6.571) 14.774 3.344 ( 5.729 6.586 -2.630) 9.117 3.443 ( -1.114 5.274 0.154) 5.392 3.533 ( -1.634 3.332 1.631) 4.054 3.694 ( 15.533 -2.335 8.269) 17.751 3.829 ( -0.559 0.838 -1.857) 2.112 3.916 ( 1.515 -0.711 1.291) 2.113 3.987 ( 1.363 1.476 3.218) 3.794 4.096 ( 5.080 0.345 -3.553) 6.209 4.161 ( -4.135 -3.984 -1.800) 6.018 4.317 ( -5.291 -5.724 -0.724) 7.829 4.501 ( -4.573 1.486 -3.798) 6.127 4.632 ( 2.943 0.597 4.472) 5.387 4.948 ( 3.956 0.063 -1.749) 4.326 5.027 ( 6.352 -3.230 -2.582) 7.580 5.470 ( 3.199 -1.625 1.591) 3.925 5.559 ( 2.181 -7.663 0.306) 7.973 5.673 ( 0.526 0.471 1.062) 1.275 5.963 ( -12.819 2.563 -3.846) 13.626 6.067 ( 8.966 -2.231 -0.749) 9.270 6.248 ( -6.203 2.649 2.407) 7.162 6.428 ( -14.686 -7.893 14.943) 22.389 6.681 ( 1.622 -8.321 -7.889) 11.581 6.914 ( -1.566 -5.216 0.327) 5.456 7.079 ( -1.434 0.978 -0.258) 1.754 7.270 ( 7.406 -6.368 -0.940) 9.812 8.018 ( -3.710 7.502 0.536) 8.386 8.508 ( -0.337 -7.431 2.116) 7.734 8.775 ( -6.709 -14.031 -0.633) 15.565 9.104 ( 6.290 -0.602 -5.825) 8.594 9.314 ( 4.867 -4.513 1.940) 6.915 9.592 ( -4.915 -3.460 -1.057) 6.103 9.746 ( -8.099 3.038 9.355) 12.741 10.088 ( -1.359 3.209 -4.693) 5.846 10.250 ( -2.304 2.040 -1.769) 3.550 10.679 ( 2.339 -19.019 2.668) 19.348 10.728 ( 0.390 -6.450 -1.364) 6.604 11.444 ( 0.021 -4.235 4.146) 5.927 11.812 ( 3.528 -4.263 -5.973) 8.142 12.059 ( 12.017 -0.788 -5.676) 13.314 12.692 ( 6.494 5.705 1.313) 8.744 13.240 ( -2.385 4.759 -0.059) 5.323 14.168 ( -10.974 12.536 8.679) 18.786 14.453 ( 2.828 -6.364 0.769) 7.006 14.610 ( -5.267 7.050 -7.788) 11.752 14.747 ( -8.629 -7.895 -2.413) 11.943 15.381 ( 5.921 12.379 1.359) 13.789 16.440 ( 0.014 -17.433 -0.545) 17.441 16.582 ( 1.221 -15.037 1.520) 15.163 17.366 ( 19.822 6.612 -2.224) 21.014 18.498 ( 19.184 4.380 -29.840) 35.744 20.396 ( -9.394 3.204 -1.138) 9.990 21.185 ( 1.746 6.511 4.950) 8.363 23.350 ( 2.091 0.478 3.016) 3.701 24.028 ( -16.776 6.809 13.161) 22.384 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 10.915 -6.025 5.361) 13.571 2.238 ( 9.520 -12.391 -4.808) 16.349 2.342 ( 15.085 -8.436 -3.972) 17.734 2.624 ( -5.873 -2.524 -5.719) 8.578 2.804 ( 9.512 -12.546 -2.414) 15.928 2.983 ( -10.505 -2.184 5.304) 11.970 3.207 ( 1.483 9.790 -2.254) 10.155 3.310 ( -4.117 8.097 -0.027) 9.083 3.465 ( -1.965 3.110 2.863) 4.661 3.665 ( -4.833 4.554 2.804) 7.209 3.812 ( 0.060 5.508 -6.518) 8.534 3.858 ( -0.590 3.861 6.463) 7.552 4.087 ( 2.221 1.591 3.482) 4.425 4.178 ( 1.482 -3.103 5.010) 6.076 4.252 ( 11.643 -7.594 10.237) 17.263 4.351 ( -1.878 -5.334 -5.744) 8.061 4.568 ( 6.387 -8.972 -11.357) 15.820 4.694 ( 1.934 -5.435 1.413) 5.940 4.977 ( 4.803 0.648 -1.189) 4.991 5.101 ( 2.186 -1.184 -2.344) 3.417 5.508 ( -1.924 0.638 0.098) 2.029 5.580 ( 5.519 3.542 4.611) 8.017 5.778 ( -11.790 0.122 0.234) 11.793 5.857 ( 0.788 -8.753 -0.118) 8.789 6.074 ( 0.473 4.460 1.984) 4.904 6.302 ( 3.283 -8.369 -0.207) 8.992 6.524 ( -9.263 -9.606 11.641) 17.709 6.854 ( -0.756 -11.576 -4.821) 12.562 7.006 ( -0.384 -5.876 0.329) 5.898 7.092 ( -2.086 -5.819 -5.638) 8.367 7.442 ( 7.728 -5.992 -3.911) 10.532 7.878 ( -4.512 4.119 4.719) 7.719 8.615 ( -3.743 -5.102 6.572) 9.123 8.898 ( -2.397 -2.653 -3.554) 5.041 9.219 ( 2.852 -10.323 -0.824) 10.742 9.486 ( 6.456 -9.575 -5.033) 12.597 9.594 ( -11.780 1.734 5.092) 12.950 9.727 ( 1.112 -9.561 2.234) 9.881 10.030 ( -3.944 -0.391 -4.260) 5.819 10.234 ( -3.375 -2.745 -2.328) 4.935 10.762 ( -5.652 -1.545 -6.424) 8.695 11.058 ( 3.333 -19.815 6.222) 21.035 11.552 ( -0.252 -6.821 4.095) 7.960 11.935 ( 1.520 -7.617 -2.386) 8.125 12.142 ( 8.314 0.243 -0.887) 8.365 12.636 ( 8.157 6.103 -1.423) 10.286 13.099 ( -4.583 7.955 -0.187) 9.183 13.892 ( -6.756 12.107 5.973) 15.096 14.342 ( -4.909 13.428 -4.276) 14.923 14.594 ( 2.834 -1.656 -1.820) 3.753 14.849 ( -7.601 -10.480 0.158) 12.947 15.249 ( 3.129 4.786 1.457) 5.900 16.787 ( 2.663 -18.601 2.738) 18.989 16.917 ( 6.043 -15.898 3.094) 17.287 17.373 ( 17.040 5.122 -4.051) 18.249 18.409 ( 6.379 9.698 -26.181) 28.639 20.266 ( -6.354 3.850 -1.207) 7.527 21.043 ( 1.119 11.791 2.833) 12.178 23.363 ( 2.007 0.757 3.732) 4.305 23.806 ( -11.966 8.019 9.977) 17.522 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 8.432 -5.443 -6.273) 11.836 2.428 ( -3.671 -7.197 -3.918) 8.980 2.617 ( 10.370 -12.257 -0.246) 16.057 2.738 ( 7.892 -7.559 -8.176) 13.648 2.920 ( -2.192 1.585 1.925) 3.320 2.959 ( -3.691 2.364 1.399) 4.601 3.109 ( 0.350 6.234 2.548) 6.743 3.162 ( -1.141 -1.732 0.774) 2.214 3.371 ( -0.347 7.958 1.648) 8.134 3.584 ( -2.268 4.556 -0.849) 5.159 3.664 ( 0.293 3.079 -0.526) 3.137 3.848 ( 2.695 1.557 3.302) 4.537 3.976 ( -0.515 10.093 3.413) 10.666 4.211 ( -0.530 -1.502 1.046) 1.906 4.442 ( -5.389 -7.543 -7.781) 12.103 4.564 ( 13.012 -9.458 12.516) 20.382 4.734 ( -1.768 -8.664 -2.457) 9.177 4.856 ( 3.371 -7.578 2.559) 8.680 5.014 ( 7.652 -1.852 -4.041) 8.850 5.091 ( -1.700 1.582 -0.494) 2.374 5.400 ( -4.639 4.579 -0.600) 6.546 5.594 ( -4.330 2.886 2.250) 5.669 5.704 ( 1.020 -1.307 2.133) 2.701 5.887 ( -1.904 4.280 0.773) 4.748 6.138 ( 2.362 -7.123 0.024) 7.504 6.427 ( 6.330 0.178 -3.222) 7.105 6.660 ( -7.862 -11.141 10.630) 17.289 6.958 ( 2.804 -0.997 0.032) 2.976 7.170 ( -3.678 -10.839 -2.708) 11.762 7.216 ( 3.571 -9.955 -5.381) 11.867 7.553 ( -0.902 -5.466 -2.005) 5.892 7.869 ( -0.285 -4.267 2.973) 5.208 8.661 ( -6.369 -3.105 8.402) 10.991 8.881 ( 0.019 1.228 -0.400) 1.292 9.363 ( -3.379 0.002 1.083) 3.548 9.521 ( 5.024 -3.120 -1.965) 6.232 9.690 ( 5.704 -9.146 -7.412) 13.081 9.985 ( -1.500 -7.947 2.176) 8.375 10.062 ( -3.796 -16.724 -4.894) 17.834 10.247 ( -5.849 -2.103 -1.491) 6.392 10.720 ( -4.076 -2.176 -9.754) 10.793 11.408 ( 3.636 -13.670 9.370) 16.967 11.685 ( 0.056 -7.403 3.588) 8.227 11.974 ( -2.438 5.668 4.497) 7.635 12.261 ( 6.906 -10.688 -3.272) 13.139 12.623 ( 6.468 2.418 -1.829) 7.143 12.915 ( -7.744 6.042 -0.583) 9.840 13.681 ( -3.749 8.868 4.330) 10.557 14.060 ( -0.663 14.569 -1.195) 14.633 14.487 ( -2.219 11.994 -2.825) 12.520 15.020 ( -4.151 -14.097 0.632) 14.709 15.295 ( -1.600 -7.580 1.231) 7.845 16.964 ( 7.101 12.988 8.367) 17.004 17.111 ( 14.654 -4.323 -4.338) 15.883 17.638 ( 8.943 -21.821 -0.953) 23.601 18.192 ( -6.789 6.049 -19.841) 21.825 20.167 ( -2.496 2.895 -2.181) 4.401 20.824 ( 0.653 13.898 0.306) 13.916 23.372 ( 1.368 0.873 4.567) 4.846 23.625 ( -7.702 5.726 6.948) 11.848 ======================= Grid point 231 (110/172) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 4.223 -3.080 -4.497) 6.895 2.510 ( -2.397 -6.617 -5.344) 8.837 2.677 ( -1.190 11.133 -0.335) 11.202 2.802 ( -1.277 5.458 2.074) 5.977 2.893 ( 3.684 -3.023 -4.051) 6.254 3.013 ( 0.421 -4.388 2.472) 5.054 3.093 ( 5.089 -7.783 1.084) 9.362 3.218 ( 1.589 -1.195 -1.166) 2.305 3.245 ( -0.291 2.161 -0.760) 2.309 3.478 ( -4.867 1.110 -1.838) 5.320 3.663 ( 5.231 9.618 5.134) 12.093 3.822 ( 2.302 0.437 -3.280) 4.031 3.889 ( 6.038 0.482 2.066) 6.400 4.187 ( -1.154 4.166 -4.919) 6.549 4.458 ( -10.822 -3.585 1.668) 11.522 4.779 ( 5.053 -2.408 8.407) 10.100 4.844 ( -0.896 -4.148 1.659) 4.557 4.967 ( -3.077 -1.687 5.176) 6.254 5.010 ( 0.563 -1.882 3.120) 3.687 5.161 ( -0.465 -4.980 -4.056) 6.439 5.318 ( -1.738 0.295 0.523) 1.839 5.556 ( 1.168 -1.078 -3.850) 4.165 5.648 ( 0.874 9.277 3.677) 10.018 5.842 ( -0.750 0.020 -4.201) 4.268 6.244 ( 0.481 -3.854 -0.229) 3.891 6.387 ( 4.237 7.083 -1.943) 8.480 6.799 ( -7.967 -8.316 5.265) 12.663 7.015 ( 6.212 -2.320 2.632) 7.134 7.207 ( -2.683 1.332 0.047) 2.996 7.409 ( 7.647 -5.545 -1.302) 9.535 7.665 ( -6.936 -10.091 -0.156) 12.246 7.989 ( 1.662 -7.530 -1.984) 7.963 8.664 ( -7.297 -1.353 8.652) 11.399 8.864 ( -0.155 1.348 -0.571) 1.472 9.281 ( -3.268 1.951 1.534) 4.104 9.697 ( 17.871 -3.494 -3.220) 18.491 9.835 ( 4.301 -3.870 -4.935) 7.605 10.036 ( -4.485 -5.109 -9.603) 11.766 10.181 ( -9.016 -0.098 0.444) 9.027 10.407 ( 2.551 -17.227 -1.038) 17.445 10.769 ( -5.591 -10.031 -8.970) 14.572 11.591 ( 1.103 -2.192 9.936) 10.235 11.780 ( 2.481 12.416 2.999) 13.011 11.816 ( -1.334 -2.639 5.488) 6.234 12.478 ( -0.544 -3.154 -1.220) 3.425 12.645 ( 6.485 -3.098 0.600) 7.212 12.861 ( -8.024 -11.095 -2.124) 13.857 13.526 ( -0.955 8.338 2.493) 8.755 13.881 ( 3.236 5.794 2.496) 7.090 14.214 ( -3.552 13.896 -4.041) 14.901 15.260 ( -2.826 -16.246 1.483) 16.556 15.445 ( -4.158 -11.468 -0.320) 12.203 16.692 ( 6.318 23.292 3.413) 24.374 17.080 ( 10.889 20.520 -5.718) 23.923 18.004 ( -1.874 -10.680 -1.115) 10.901 18.205 ( -0.300 -19.585 -8.289) 21.269 20.116 ( 0.514 1.423 -3.106) 3.455 20.603 ( 0.162 10.497 -2.282) 10.743 23.364 ( -0.678 2.051 5.028) 5.472 23.536 ( -3.510 0.632 5.553) 6.599 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.785 14.872 6.127) 16.103 2.455 ( -0.647 14.714 2.893) 15.009 2.605 ( -0.430 -6.290 -5.791) 8.561 2.702 ( 0.187 -0.888 -0.583) 1.079 2.905 ( 3.140 2.456 -7.749) 8.715 3.126 ( 2.935 -3.304 0.595) 4.459 3.155 ( -0.665 -1.378 -0.080) 1.532 3.282 ( -1.858 -4.621 -0.246) 4.986 3.374 ( 2.815 -9.089 -2.810) 9.922 3.464 ( -2.124 7.632 1.869) 8.139 3.516 ( 1.996 -5.236 -1.347) 5.763 3.845 ( 0.535 -0.685 1.622) 1.840 3.985 ( 6.844 -2.772 -2.051) 7.664 4.052 ( -2.754 5.617 -5.983) 8.656 4.428 ( -5.655 0.957 3.569) 6.755 4.678 ( 0.402 12.992 7.896) 15.208 4.909 ( 0.555 0.065 3.300) 3.347 4.974 ( -6.537 -3.489 5.679) 9.336 5.085 ( -4.772 1.824 3.707) 6.312 5.159 ( 3.776 -1.871 -4.709) 6.319 5.351 ( -1.156 -1.844 2.911) 3.635 5.459 ( -3.094 7.921 -1.677) 8.668 5.637 ( 6.557 -2.399 -5.589) 8.944 5.823 ( 0.698 -0.351 -4.569) 4.635 6.266 ( -0.679 5.481 0.682) 5.565 6.297 ( 1.826 0.610 -2.429) 3.100 6.842 ( -6.338 -2.792 3.068) 7.574 7.122 ( 0.425 0.054 5.582) 5.598 7.147 ( 1.295 -0.361 3.290) 3.555 7.520 ( 7.400 -0.593 0.438) 7.437 7.722 ( -5.050 -1.204 -0.885) 5.266 8.105 ( 0.082 -4.236 -2.323) 4.831 8.636 ( -3.665 1.815 8.483) 9.417 8.822 ( -2.978 0.582 -2.595) 3.993 9.274 ( 2.550 0.270 -0.524) 2.617 9.856 ( 12.117 0.608 -0.696) 12.153 9.875 ( 0.053 -0.330 -1.167) 1.215 9.957 ( -2.911 3.862 -15.518) 16.254 10.232 ( 3.263 -5.971 1.713) 7.016 10.682 ( 6.368 -11.325 -3.429) 13.438 10.906 ( -13.407 -15.211 -5.946) 21.130 11.496 ( -2.480 15.303 3.358) 15.862 11.567 ( 3.405 10.910 7.619) 13.736 11.870 ( -0.757 -1.001 4.357) 4.534 12.476 ( -2.786 -2.271 0.106) 3.596 12.621 ( 0.339 9.596 3.832) 10.338 13.180 ( 0.318 -20.015 -2.435) 20.165 13.436 ( 1.858 -0.409 3.488) 3.973 13.838 ( 0.525 6.050 -3.681) 7.101 14.062 ( -0.808 -4.317 2.545) 5.076 15.541 ( -1.428 -16.101 2.055) 16.294 15.617 ( -1.976 -11.893 -2.573) 12.327 16.314 ( 2.315 23.382 1.240) 23.529 16.647 ( 1.218 29.146 -5.847) 29.751 18.071 ( -3.790 0.982 2.279) 4.530 18.550 ( 6.956 -14.410 -9.035) 18.376 20.116 ( 2.224 -1.362 -2.807) 3.831 20.491 ( -1.065 0.433 -3.935) 4.100 23.322 ( -1.721 2.222 4.290) 5.129 23.567 ( -1.575 -4.343 6.657) 8.103 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 3.229 20.032 9.580) 22.438 2.166 ( 0.434 17.971 7.168) 19.353 2.645 ( 3.929 3.793 -6.634) 8.593 2.791 ( 2.562 -5.743 -4.847) 7.940 2.856 ( 1.945 3.508 -6.934) 8.011 3.100 ( -0.082 3.220 -2.366) 3.997 3.211 ( -1.255 -4.448 -3.614) 5.866 3.334 ( -0.231 2.250 -6.366) 6.756 3.365 ( -2.383 -5.927 1.833) 6.646 3.526 ( -3.096 -9.102 6.112) 11.392 3.687 ( -3.045 -8.359 2.251) 9.176 3.844 ( -3.228 0.159 5.122) 6.057 4.017 ( 4.531 1.469 -2.611) 5.432 4.038 ( 0.166 -4.719 -4.872) 6.785 4.273 ( -1.163 15.929 9.159) 18.411 4.539 ( 2.492 3.519 2.293) 4.884 4.812 ( 0.821 10.455 -0.171) 10.488 4.929 ( 0.177 8.284 -4.460) 9.410 5.012 ( -1.836 0.236 1.335) 2.282 5.217 ( 1.980 -0.928 -3.251) 3.918 5.288 ( -4.418 5.045 0.287) 6.712 5.410 ( -3.966 -4.554 6.993) 9.239 5.705 ( 5.581 -0.940 -5.149) 7.652 5.874 ( 3.001 -4.569 -3.846) 6.684 6.153 ( 0.239 5.856 -1.816) 6.136 6.283 ( -0.118 2.502 -1.443) 2.891 6.831 ( -7.196 -1.034 6.199) 9.554 7.063 ( -0.492 3.822 6.179) 7.282 7.226 ( 0.687 -2.357 2.102) 3.232 7.537 ( 6.355 6.244 3.275) 9.492 7.626 ( -3.250 7.385 -1.486) 8.204 8.100 ( -4.081 2.378 -0.227) 4.729 8.608 ( 3.128 1.896 5.158) 6.323 8.809 ( -3.579 -2.352 -1.699) 4.607 9.263 ( 3.514 3.711 -2.836) 5.845 9.737 ( -2.545 8.538 -10.143) 13.500 9.864 ( -2.724 0.218 -1.624) 3.179 9.965 ( 8.808 1.935 -4.487) 10.073 10.355 ( 5.243 -2.994 0.205) 6.041 10.810 ( 0.134 5.718 -1.509) 5.915 11.053 ( -3.893 -11.679 1.110) 12.361 11.272 ( -4.602 2.978 -3.457) 6.480 11.416 ( 2.479 8.446 4.652) 9.956 11.871 ( -1.700 0.377 6.078) 6.323 12.352 ( -1.654 16.207 5.678) 17.252 12.537 ( 1.320 0.567 -2.650) 3.014 13.261 ( 3.030 7.187 -2.978) 8.349 13.595 ( -5.078 -10.044 2.038) 11.437 13.897 ( 1.059 -18.229 -0.817) 18.278 14.256 ( 1.034 -13.125 4.907) 14.051 15.604 ( -1.142 10.329 -2.720) 10.742 15.839 ( -0.352 -2.424 0.860) 2.596 16.049 ( 0.954 0.860 -0.415) 1.350 16.215 ( 2.162 11.357 -4.200) 12.300 17.883 ( -3.383 17.822 2.883) 18.368 18.711 ( 7.830 -0.050 -15.607) 17.462 20.201 ( 2.099 -6.856 -1.305) 7.288 20.555 ( -2.336 -9.583 -2.754) 10.241 23.291 ( -1.077 1.087 3.554) 3.869 23.682 ( -2.582 -8.671 8.830) 12.642 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 10.907 19.079 10.317) 24.278 1.899 ( 2.184 15.921 11.318) 19.656 2.513 ( 2.668 13.392 -10.128) 17.001 2.660 ( 7.093 11.811 -11.190) 17.748 2.965 ( 0.870 -7.964 -6.421) 10.267 3.088 ( -4.313 -2.228 -2.819) 5.614 3.226 ( 1.936 1.210 -3.072) 3.827 3.310 ( -6.556 -3.130 -1.556) 7.430 3.467 ( -2.029 -5.656 3.391) 6.900 3.679 ( -1.496 2.816 11.633) 12.062 3.707 ( -0.508 -2.389 9.014) 9.339 3.830 ( -2.329 -2.978 3.224) 4.969 3.953 ( -2.987 4.409 1.893) 5.652 4.093 ( 1.271 -1.959 5.938) 6.381 4.164 ( -1.451 -2.901 -4.485) 5.535 4.516 ( 4.419 4.007 -8.026) 9.999 4.634 ( 0.872 9.575 -1.435) 9.721 4.753 ( 2.517 7.404 -10.335) 12.960 5.002 ( 2.791 2.531 1.966) 4.249 5.144 ( -0.494 6.223 -3.618) 7.215 5.279 ( -1.072 -2.835 3.384) 4.543 5.478 ( -3.081 -4.304 5.677) 7.762 5.748 ( 5.590 -0.529 -0.559) 5.643 5.988 ( 2.299 -6.259 -4.776) 8.202 6.047 ( 0.506 6.785 -3.788) 7.787 6.222 ( 1.719 3.592 -1.270) 4.179 6.785 ( -9.098 1.211 9.729) 13.375 7.008 ( 2.241 5.517 4.505) 7.467 7.234 ( -3.998 0.587 2.154) 4.579 7.389 ( 1.661 13.209 3.260) 13.707 7.449 ( 0.941 12.498 -0.574) 12.546 8.010 ( -6.449 1.549 2.114) 6.961 8.646 ( 4.792 -0.573 3.497) 5.960 8.830 ( 0.765 -2.313 -3.344) 4.137 9.193 ( 2.885 5.950 -4.802) 8.172 9.553 ( -0.877 8.392 -7.045) 10.992 9.821 ( -2.037 1.966 -4.130) 5.007 9.934 ( 3.345 6.664 -2.192) 7.772 10.407 ( 1.024 -0.315 -1.336) 1.713 10.540 ( -7.495 15.695 1.486) 17.456 11.085 ( 0.350 9.801 3.683) 10.476 11.221 ( -4.908 0.030 -4.899) 6.935 11.476 ( 6.494 -5.719 0.867) 8.697 11.902 ( -3.443 -5.700 8.086) 10.475 12.069 ( 1.418 15.809 4.149) 16.406 12.437 ( 4.596 12.023 -9.435) 15.959 13.157 ( -0.899 1.383 -3.188) 3.589 13.775 ( -5.041 -14.910 6.348) 16.971 14.256 ( 1.272 -18.178 0.435) 18.228 14.492 ( -1.999 -11.920 4.118) 12.769 15.299 ( 0.520 17.616 -3.394) 17.947 15.541 ( -10.076 17.881 1.653) 20.591 16.234 ( 13.415 -8.388 -2.655) 16.042 16.391 ( 6.993 -16.331 -1.082) 17.799 17.455 ( -2.184 27.361 -0.429) 27.452 18.613 ( 7.717 12.510 -21.105) 25.719 20.355 ( -0.533 -9.425 -0.700) 9.466 20.744 ( -2.039 -13.496 0.570) 13.661 23.283 ( -0.214 0.186 2.977) 2.991 23.866 ( -5.630 -13.364 11.362) 18.423 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 15.778 0.000 13.403) 20.702 2.186 ( 19.605 0.000 5.205) 20.284 2.232 ( 9.927 0.000 -2.554) 10.251 2.373 ( 10.039 0.000 -11.139) 14.996 2.670 ( -9.701 -0.000 -1.467) 9.812 2.871 ( -13.925 -0.000 7.117) 15.638 3.404 ( 0.342 0.000 0.145) 0.371 3.509 ( -0.447 -0.000 -3.491) 3.519 3.607 ( 3.272 0.000 2.233) 3.961 3.773 ( 0.879 0.000 -15.073) 15.098 3.782 ( 0.837 0.000 3.660) 3.754 3.958 ( 3.205 0.000 1.751) 3.652 4.040 ( -11.520 -0.000 0.476) 11.530 4.077 ( 18.436 0.000 11.471) 21.714 4.098 ( -7.022 -0.000 3.916) 8.040 4.238 ( 4.051 0.000 -2.370) 4.693 4.502 ( 2.764 0.000 -6.001) 6.607 4.677 ( 2.482 0.000 4.246) 4.918 4.981 ( 4.782 0.000 -2.690) 5.487 5.048 ( 7.451 0.000 -1.866) 7.682 5.460 ( 5.355 0.000 1.871) 5.673 5.508 ( -1.490 -0.000 0.280) 1.516 5.693 ( 2.067 0.000 -0.324) 2.092 5.858 ( -17.229 -0.000 -2.150) 17.363 6.079 ( 0.220 0.000 -0.579) 0.619 6.249 ( -2.735 -0.000 4.110) 4.937 6.258 ( -16.162 -0.000 17.614) 23.906 6.616 ( 4.351 0.000 -10.724) 11.573 6.850 ( -1.865 -0.000 -0.562) 1.948 7.107 ( 1.801 0.000 -1.033) 2.076 7.246 ( 6.508 0.000 -1.973) 6.801 8.065 ( -4.490 -0.000 -4.824) 6.590 8.450 ( 1.579 0.000 4.077) 4.372 8.582 ( -4.651 -0.000 2.285) 5.182 9.166 ( 10.501 0.000 -11.915) 15.882 9.300 ( 1.273 0.000 8.179) 8.277 9.489 ( -10.031 -0.000 -0.546) 10.046 9.699 ( -14.025 -0.000 10.088) 17.276 10.101 ( -1.664 -0.000 -5.079) 5.344 10.390 ( 0.539 0.000 0.715) 0.895 10.434 ( 2.054 0.000 7.316) 7.598 10.685 ( 3.702 0.000 -0.928) 3.816 11.419 ( 0.446 0.000 4.311) 4.334 11.783 ( 3.390 0.000 -8.175) 8.850 12.154 ( 15.420 0.000 -6.594) 16.770 12.789 ( 4.737 0.000 2.086) 5.176 13.263 ( -2.969 -0.000 -0.062) 2.970 14.224 ( -12.846 -0.000 7.511) 14.881 14.408 ( 4.378 0.000 0.195) 4.383 14.607 ( -2.524 -0.000 -0.149) 2.529 14.628 ( -4.693 -0.000 -10.313) 11.330 15.574 ( 5.354 0.000 0.646) 5.393 16.253 ( -0.891 -0.000 -1.656) 1.880 16.425 ( -0.842 -0.000 1.347) 1.588 17.573 ( 17.935 0.000 -0.958) 17.960 18.635 ( 18.212 0.000 -28.920) 34.177 20.344 ( -9.526 -0.000 -0.926) 9.571 21.266 ( 1.339 0.000 4.181) 4.390 23.381 ( 2.626 0.000 3.625) 4.476 23.981 ( -16.981 -0.000 12.274) 20.952 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 13.211 -10.471 11.995) 20.690 2.232 ( 10.891 3.143 -10.283) 15.305 2.318 ( 3.383 -2.728 1.273) 4.528 2.573 ( 3.157 -3.958 -0.090) 5.064 2.631 ( 6.739 -9.537 -3.078) 12.077 2.850 ( -9.138 -5.011 6.378) 12.218 3.375 ( 1.074 5.938 -3.058) 6.765 3.404 ( -2.877 8.198 -2.944) 9.173 3.516 ( -1.815 4.689 2.787) 5.749 3.724 ( -2.570 4.580 2.419) 5.782 3.842 ( 2.438 -3.126 -9.838) 10.606 3.904 ( -3.752 1.681 4.450) 6.059 4.080 ( -4.975 -4.782 1.941) 7.168 4.084 ( -4.870 -5.402 -2.011) 7.546 4.182 ( -9.467 -1.422 2.970) 10.023 4.344 ( 23.908 -1.179 11.465) 26.541 4.562 ( 16.681 -0.928 -13.808) 21.674 4.701 ( 3.098 0.310 4.871) 5.781 5.016 ( 5.709 -0.190 -3.184) 6.540 5.110 ( 5.250 -0.715 -1.448) 5.493 5.482 ( -3.001 -0.371 -1.407) 3.335 5.625 ( 4.702 -8.310 1.928) 9.741 5.675 ( -9.421 1.547 4.396) 10.510 5.718 ( -8.094 -1.566 -0.657) 8.270 6.129 ( -5.987 -8.174 1.010) 10.182 6.182 ( -3.186 2.889 10.873) 11.692 6.293 ( -6.250 -7.750 9.242) 13.584 6.683 ( 4.186 -6.223 -11.552) 13.773 6.877 ( -2.613 -4.940 -0.984) 5.675 7.096 ( 4.455 2.408 -3.457) 6.132 7.372 ( 6.564 -7.543 -3.654) 10.646 7.945 ( -5.248 6.218 -1.801) 8.334 8.504 ( -4.633 -4.543 7.926) 10.243 8.709 ( 0.773 -13.621 -1.965) 13.783 9.169 ( 3.765 3.362 -0.682) 5.093 9.364 ( 0.236 -5.889 -6.435) 8.726 9.511 ( -2.335 -7.435 3.803) 8.671 9.598 ( -13.505 -0.012 7.356) 15.379 10.073 ( 0.843 1.714 -3.035) 3.586 10.228 ( -1.337 7.170 3.089) 7.920 10.649 ( -3.993 -7.874 -0.958) 8.880 10.792 ( 4.790 -12.245 2.787) 13.440 11.466 ( 0.285 -3.841 4.411) 5.856 11.836 ( 3.141 -4.663 -5.574) 7.916 12.238 ( 11.851 1.999 -4.170) 12.722 12.787 ( 4.881 4.354 1.032) 6.622 13.188 ( -3.963 5.444 -0.035) 6.734 14.044 ( -7.472 10.040 3.717) 13.056 14.473 ( -0.944 3.308 -0.451) 3.469 14.552 ( 2.719 -1.491 -5.404) 6.231 14.648 ( -4.468 -6.563 -0.337) 7.946 15.459 ( 3.315 12.992 0.736) 13.428 16.442 ( 0.410 -19.074 -0.457) 19.084 16.597 ( -0.133 -18.318 1.781) 18.405 17.638 ( 15.130 7.046 -1.286) 16.740 18.613 ( 11.782 9.294 -26.178) 30.174 20.256 ( -7.448 1.728 -0.755) 7.683 21.223 ( 0.965 6.798 2.649) 7.360 23.406 ( 2.885 0.773 4.464) 5.371 23.838 ( -13.923 4.546 9.813) 17.630 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 7.589 -0.427 -8.708) 11.559 2.263 ( -5.421 -6.033 2.695) 8.547 2.451 ( 6.121 -12.294 1.841) 13.857 2.688 ( 10.532 -5.130 -4.609) 12.589 2.851 ( -4.796 -8.006 3.378) 9.925 2.935 ( 5.116 -4.401 -0.060) 6.749 3.198 ( -2.118 6.827 -0.568) 7.170 3.238 ( -3.093 8.777 0.378) 9.314 3.481 ( 2.261 3.021 2.916) 4.769 3.647 ( 1.469 3.277 1.005) 3.729 3.772 ( -1.724 9.346 -3.653) 10.182 3.885 ( 0.738 -0.189 4.793) 4.853 4.056 ( -5.069 0.563 2.586) 5.718 4.159 ( -2.745 -4.180 0.731) 5.054 4.213 ( -9.005 -9.832 -5.596) 14.459 4.582 ( 15.822 -4.399 5.780) 17.409 4.660 ( 8.569 -1.569 -3.693) 9.462 4.783 ( 7.207 -3.737 1.468) 8.250 5.066 ( 7.322 -0.576 -3.268) 8.039 5.119 ( 1.623 2.750 -0.668) 3.262 5.388 ( -15.187 2.432 -1.223) 15.430 5.561 ( -7.756 1.050 1.999) 8.078 5.692 ( 3.397 -3.089 2.474) 5.216 5.912 ( 2.729 -7.742 3.832) 9.059 6.081 ( 0.531 2.599 3.096) 4.077 6.314 ( -6.444 -11.785 8.582) 15.939 6.467 ( -0.062 -11.655 3.173) 12.080 6.838 ( 1.869 -11.764 -7.346) 13.994 6.969 ( -3.293 -8.633 -1.934) 9.440 7.096 ( 5.262 0.011 -5.998) 7.979 7.534 ( 6.263 -4.256 -3.803) 8.474 7.821 ( -4.847 1.794 1.221) 5.311 8.550 ( -8.161 -4.340 9.007) 12.906 8.919 ( 5.711 -3.016 0.168) 6.461 9.209 ( -4.769 -10.918 1.062) 11.962 9.445 ( -4.392 -3.165 -1.143) 5.533 9.551 ( 0.895 -7.329 -3.701) 8.259 9.723 ( -0.247 -14.118 -1.245) 14.175 10.025 ( 3.202 5.324 1.587) 6.412 10.167 ( -4.619 -1.803 0.599) 4.994 10.654 ( -3.185 -0.608 -8.549) 9.143 11.147 ( 3.828 -20.055 6.628) 21.466 11.569 ( 0.030 -6.491 3.993) 7.621 11.939 ( -0.042 -5.144 -1.125) 5.266 12.253 ( 6.185 2.323 -1.827) 6.855 12.746 ( 5.952 4.690 -0.321) 7.584 13.016 ( -5.256 9.912 -0.217) 11.221 13.822 ( -4.235 10.246 2.163) 11.295 14.293 ( -0.150 12.454 -1.534) 12.549 14.585 ( -2.831 2.359 -1.946) 4.167 14.781 ( -1.080 -11.231 0.005) 11.282 15.295 ( 2.033 6.564 0.982) 6.941 16.836 ( 2.177 -22.888 3.547) 23.263 16.989 ( 1.522 -22.216 2.764) 22.439 17.586 ( 11.454 7.934 -3.827) 14.450 18.379 ( 3.587 17.700 -22.228) 28.640 20.177 ( -3.961 1.746 -1.220) 4.497 21.066 ( 1.024 12.190 0.877) 12.264 23.419 ( 2.648 1.434 5.273) 6.072 23.672 ( -9.923 5.452 7.007) 13.315 ======================= Grid point 241 (117/172) ======================= q-point: (-0.40 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -5.186 -7.133 -6.880) 11.185 2.358 ( 2.965 -4.780 -3.200) 6.472 2.712 ( 3.076 -10.060 0.437) 10.528 2.834 ( 2.986 -1.280 -5.064) 6.016 2.885 ( -3.073 -1.038 4.329) 5.409 2.955 ( 2.681 1.187 -0.558) 2.984 3.062 ( -0.067 2.435 -0.205) 2.445 3.225 ( 4.743 -0.627 0.067) 4.784 3.401 ( 1.502 8.820 4.433) 9.985 3.528 ( -2.858 9.489 -2.260) 10.165 3.708 ( 3.925 -2.805 -2.276) 5.334 3.916 ( 2.817 0.235 4.480) 5.297 3.982 ( -0.193 6.715 3.293) 7.482 4.197 ( -0.687 -1.221 -3.648) 3.908 4.277 ( -9.924 -7.200 -0.263) 12.263 4.711 ( -1.666 -6.661 -1.376) 7.003 4.806 ( 10.768 -1.425 6.767) 12.797 4.907 ( 0.506 -7.443 2.971) 8.030 5.044 ( -2.135 5.466 0.047) 5.868 5.130 ( 5.147 -0.913 -2.040) 5.611 5.252 ( -10.637 -1.586 0.837) 10.788 5.539 ( 2.369 -0.791 -1.799) 3.078 5.786 ( 2.084 -2.998 0.418) 3.675 5.857 ( -1.360 9.395 4.212) 10.385 6.178 ( 2.401 -5.360 0.728) 5.918 6.447 ( -5.053 -5.164 2.001) 7.497 6.623 ( 1.891 -5.700 3.016) 6.720 7.022 ( 2.915 -4.377 -0.199) 5.263 7.107 ( -0.698 -8.302 -2.218) 8.622 7.242 ( 1.487 -17.551 -6.522) 18.783 7.563 ( 2.744 2.875 2.988) 4.973 7.846 ( -2.954 -7.123 -3.942) 8.660 8.574 ( -8.097 -3.466 10.223) 13.494 8.931 ( 4.090 3.784 2.048) 5.937 9.279 ( -3.890 -0.492 0.716) 3.986 9.628 ( 5.257 -16.229 -1.545) 17.129 9.729 ( 2.779 -10.841 -9.349) 14.583 9.951 ( -0.048 -4.858 -6.614) 8.206 9.982 ( -4.769 -5.854 4.440) 8.760 10.205 ( 0.009 -6.229 1.820) 6.489 10.633 ( -0.844 -2.089 -11.074) 11.301 11.503 ( 2.936 -13.434 8.934) 16.399 11.703 ( 0.032 -7.671 3.261) 8.335 11.943 ( -3.864 3.685 3.883) 6.602 12.332 ( 4.422 -8.679 -3.847) 10.473 12.729 ( 6.528 2.936 -0.304) 7.164 12.784 ( -7.488 9.368 -0.584) 12.007 13.647 ( -2.170 7.365 1.970) 7.927 14.073 ( 1.587 12.326 1.295) 12.495 14.413 ( -4.296 12.261 -3.500) 13.455 14.991 ( -0.495 -13.394 0.668) 13.420 15.290 ( 0.539 -3.973 0.714) 4.072 17.082 ( 2.512 10.749 11.332) 15.820 17.275 ( 8.448 -11.421 -4.720) 14.970 17.744 ( 4.948 -20.592 -2.497) 21.325 18.005 ( -6.088 14.618 -18.125) 24.068 20.129 ( -1.059 1.201 -2.213) 2.731 20.839 ( 1.725 14.525 -1.028) 14.663 23.417 ( 1.111 2.461 5.944) 6.529 23.545 ( -5.732 2.955 4.981) 8.149 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -2.924 -10.308 -5.016) 11.830 2.435 ( 0.152 -1.937 -1.712) 2.589 2.680 ( 1.481 9.549 -0.304) 9.668 2.784 ( -1.879 9.292 2.344) 9.766 2.889 ( -1.768 -5.321 -3.317) 6.515 3.061 ( 2.932 -8.728 3.509) 9.854 3.168 ( 3.884 -2.099 -0.116) 4.416 3.228 ( 3.482 2.542 -4.534) 6.256 3.278 ( 2.755 1.056 -1.320) 3.232 3.407 ( -3.081 1.391 -0.983) 3.520 3.724 ( -0.612 6.580 3.308) 7.390 3.826 ( -2.157 5.070 -0.487) 5.531 3.985 ( 3.617 -1.624 0.604) 4.011 4.129 ( -0.949 4.781 -7.389) 8.852 4.352 ( -2.958 -5.947 4.972) 8.297 4.818 ( -6.497 -8.675 3.420) 11.365 4.885 ( 4.783 2.996 3.338) 6.557 4.917 ( -1.296 4.095 5.691) 7.130 5.013 ( -5.254 -3.999 6.148) 9.022 5.175 ( 6.276 -0.920 -2.767) 6.920 5.293 ( -1.648 -6.007 -0.672) 6.265 5.576 ( 2.708 2.940 -4.594) 6.090 5.678 ( 0.902 7.260 3.117) 7.953 5.812 ( -0.498 -0.019 -4.265) 4.294 6.250 ( 0.473 -2.006 -0.142) 2.066 6.407 ( -1.391 5.075 -1.149) 5.386 6.740 ( -1.114 -5.322 4.274) 6.916 7.098 ( 2.109 -3.116 1.696) 4.127 7.176 ( -1.025 -0.026 0.412) 1.105 7.532 ( 1.957 -11.619 -2.515) 12.048 7.582 ( 1.925 -2.765 3.238) 4.673 7.958 ( -3.117 -9.413 -5.234) 11.212 8.594 ( -6.626 -2.670 11.529) 13.563 8.884 ( 3.480 4.964 -1.077) 6.157 9.277 ( 0.851 -0.859 -0.078) 1.212 9.824 ( -2.374 -4.097 -8.878) 10.062 9.907 ( -1.268 -4.334 -6.474) 7.893 9.960 ( 7.680 -0.505 1.109) 7.776 10.102 ( 2.471 -10.774 -0.395) 11.060 10.422 ( -1.132 -16.150 0.212) 16.191 10.668 ( -0.656 -5.209 -10.564) 11.797 11.632 ( -1.060 2.604 8.375) 8.834 11.813 ( -1.168 9.161 5.995) 11.010 11.828 ( 0.187 -4.719 2.869) 5.526 12.462 ( 0.146 1.627 -1.466) 2.195 12.710 ( -7.175 -4.347 1.982) 8.620 12.780 ( 6.786 -12.362 -2.966) 14.411 13.527 ( -0.366 6.168 1.954) 6.481 13.949 ( 3.044 3.694 3.909) 6.180 14.124 ( -4.535 14.354 -4.804) 15.802 15.250 ( 0.763 -16.332 1.105) 16.387 15.414 ( 0.603 -9.027 -0.547) 9.063 16.772 ( 1.506 24.248 3.528) 24.549 17.173 ( 4.218 27.708 -6.743) 28.827 17.908 ( -6.262 -13.322 -2.333) 14.905 18.215 ( 2.668 -24.476 -5.171) 25.158 20.106 ( -0.169 0.206 -3.020) 3.032 20.613 ( 2.874 11.937 -3.027) 12.645 23.370 ( -1.439 3.470 5.287) 6.486 23.517 ( -1.888 -1.377 5.236) 5.734 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 4.191 12.924 5.106) 14.515 2.463 ( 0.267 10.744 -0.037) 10.748 2.590 ( 1.524 -7.430 -1.964) 7.835 2.680 ( -1.861 -0.925 -2.946) 3.606 2.931 ( 2.390 0.006 -5.971) 6.432 3.149 ( -0.489 0.226 1.024) 1.157 3.160 ( 1.876 1.746 -2.751) 3.760 3.249 ( -1.440 -5.285 1.572) 5.699 3.364 ( -2.982 -5.392 0.214) 6.165 3.416 ( -1.577 1.930 -3.534) 4.324 3.569 ( 3.299 2.312 0.166) 4.032 3.773 ( -9.667 -2.336 2.222) 10.190 3.989 ( -0.790 0.623 -4.470) 4.582 4.071 ( 3.087 1.738 -2.710) 4.461 4.430 ( 3.083 -0.715 3.789) 4.936 4.739 ( 2.672 12.352 8.362) 15.154 4.901 ( -3.495 -2.732 4.147) 6.072 4.960 ( 3.334 -1.178 1.636) 3.896 5.026 ( -4.500 -0.370 5.616) 7.206 5.221 ( 5.764 0.467 -4.616) 7.400 5.341 ( -3.035 1.217 -0.072) 3.271 5.403 ( -2.314 7.762 1.305) 8.205 5.700 ( 4.916 -1.931 -6.866) 8.662 5.820 ( 1.524 -3.009 -4.210) 5.394 6.239 ( -2.735 3.466 0.994) 4.525 6.316 ( 1.330 3.002 -2.106) 3.900 6.790 ( -2.034 -0.852 5.294) 5.735 7.134 ( 0.158 3.036 1.893) 3.582 7.171 ( -2.010 -3.659 4.322) 6.009 7.632 ( -5.507 -2.306 -2.176) 6.354 7.658 ( 8.764 0.682 2.761) 9.214 8.059 ( -3.520 -4.391 -3.363) 6.556 8.617 ( -5.015 -2.148 12.250) 13.410 8.830 ( 6.413 4.226 -4.205) 8.756 9.295 ( 0.089 -0.338 -2.829) 2.851 9.778 ( -7.635 1.381 -5.338) 9.418 9.873 ( 0.036 2.597 -4.003) 4.772 10.043 ( 9.027 -0.254 -6.060) 10.875 10.305 ( 3.340 -6.179 -0.480) 7.041 10.686 ( -8.639 -12.618 -5.153) 16.137 10.793 ( 8.994 -13.528 -1.788) 16.343 11.448 ( -4.736 15.296 5.054) 16.791 11.647 ( 1.703 11.386 4.729) 12.446 11.877 ( -0.840 -0.530 3.825) 3.952 12.445 ( -1.203 -1.151 1.332) 2.132 12.641 ( 0.054 7.930 2.889) 8.440 13.169 ( -0.304 -21.126 -2.013) 21.224 13.469 ( -0.208 -0.400 3.666) 3.694 13.811 ( -0.866 10.820 -5.107) 11.996 14.064 ( -0.784 -9.414 3.598) 10.108 15.542 ( 0.683 -10.939 1.260) 11.032 15.612 ( 2.446 -15.412 -1.799) 15.708 16.350 ( 1.357 24.066 0.563) 24.111 16.644 ( 1.934 29.229 -6.174) 29.936 18.022 ( -3.369 -0.369 2.956) 4.497 18.573 ( 1.011 -15.338 -8.890) 17.757 20.115 ( -0.740 -2.893 -2.827) 4.112 20.492 ( 3.475 3.056 -3.914) 6.061 23.321 ( -0.985 2.216 4.422) 5.044 23.567 ( -2.282 -4.449 6.575) 8.260 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 11.574 16.624 5.328) 20.945 2.218 ( 3.533 16.517 3.814) 17.315 2.661 ( 0.764 2.487 -6.461) 6.966 2.786 ( -0.831 -10.775 -2.534) 11.100 2.892 ( 6.926 7.061 -8.894) 13.302 3.072 ( -1.984 6.593 -2.293) 7.257 3.156 ( -4.926 -3.576 -2.104) 6.440 3.272 ( -2.722 1.403 -4.500) 5.443 3.345 ( -1.498 -4.068 1.821) 4.702 3.494 ( -4.023 -11.067 6.867) 13.631 3.654 ( -1.769 -5.016 1.039) 5.420 3.788 ( -5.304 -5.993 3.140) 8.597 3.958 ( -5.611 0.281 -1.521) 5.820 4.099 ( 5.550 -2.089 -2.804) 6.560 4.353 ( 3.978 15.937 12.233) 20.481 4.619 ( 4.853 5.075 1.815) 7.253 4.814 ( 0.705 9.854 -3.806) 10.587 4.941 ( 4.173 10.181 -5.715) 12.399 5.030 ( 3.439 -2.456 1.534) 4.496 5.214 ( -5.935 4.822 1.194) 7.739 5.245 ( 2.111 -1.279 -1.017) 2.670 5.389 ( -2.348 -3.542 7.057) 8.238 5.766 ( 5.523 -2.328 -6.508) 8.847 5.897 ( 2.030 -4.363 -4.553) 6.625 6.149 ( 0.393 4.559 -1.521) 4.822 6.279 ( 0.198 2.314 -0.336) 2.346 6.773 ( -4.162 1.806 8.985) 10.066 7.104 ( 3.279 2.362 0.401) 4.061 7.195 ( -6.261 -1.273 4.685) 7.922 7.548 ( -4.862 6.095 -2.280) 8.123 7.669 ( 7.637 7.286 3.378) 11.082 8.012 ( -6.363 3.630 -0.487) 7.341 8.645 ( -3.791 -1.933 11.442) 12.208 8.840 ( 10.108 0.565 -6.210) 11.877 9.262 ( -1.699 2.439 -5.083) 5.888 9.665 ( -1.420 5.370 -6.128) 8.270 9.820 ( -2.524 1.672 -1.911) 3.580 10.063 ( 6.962 3.999 -5.931) 9.982 10.364 ( -3.203 -1.844 -3.588) 5.151 10.683 ( -9.451 3.512 -1.373) 10.175 11.134 ( 0.294 3.465 0.512) 3.515 11.200 ( 4.299 -6.613 2.826) 8.378 11.500 ( 5.240 6.328 2.462) 8.577 11.864 ( -2.600 0.893 5.851) 6.465 12.353 ( -0.717 13.168 4.291) 13.868 12.562 ( 2.623 1.979 -1.982) 3.838 13.238 ( -3.691 8.076 -4.917) 10.150 13.554 ( -2.130 -8.550 6.010) 10.666 13.885 ( -1.936 -19.747 -1.516) 19.900 14.273 ( -0.706 -13.047 2.771) 13.357 15.534 ( -5.761 9.745 -1.893) 11.478 15.762 ( -6.949 10.773 1.311) 12.886 16.170 ( 11.078 -8.853 -0.959) 14.213 16.354 ( 16.642 6.378 -4.836) 18.466 17.850 ( -2.128 17.797 3.515) 18.265 18.687 ( -1.632 -1.212 -15.530) 15.662 20.190 ( -1.958 -7.308 -1.956) 7.814 20.554 ( 2.902 -7.579 -1.586) 8.269 23.299 ( -0.060 0.944 3.754) 3.871 23.665 ( -4.433 -7.926 8.433) 12.393 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 12.351 0.000 12.035) 17.245 2.248 ( -7.103 -0.000 -6.289) 9.487 2.427 ( 7.244 0.000 8.810) 11.406 2.432 ( -0.383 -0.000 -5.287) 5.301 2.689 ( 13.357 0.000 -0.550) 13.369 2.753 ( -0.165 -0.000 3.261) 3.266 3.407 ( -0.829 -0.000 0.414) 0.926 3.481 ( -0.655 -0.000 -4.071) 4.123 3.625 ( -2.540 -0.000 3.604) 4.409 3.674 ( -4.537 -0.000 -17.080) 17.673 3.773 ( -0.007 -0.000 1.391) 1.391 3.880 ( -8.328 -0.000 3.359) 8.980 3.942 ( -1.776 -0.000 0.414) 1.824 4.037 ( -2.615 -0.000 1.373) 2.953 4.140 ( -7.077 -0.000 3.955) 8.107 4.559 ( 22.267 0.000 8.233) 23.741 4.679 ( 19.012 0.000 -11.709) 22.328 4.719 ( 0.755 0.000 3.035) 3.128 5.060 ( 7.979 0.000 -2.545) 8.375 5.141 ( 4.780 0.000 -1.110) 4.908 5.428 ( -14.196 -0.000 -3.388) 14.595 5.561 ( 5.394 0.000 3.302) 6.324 5.584 ( -10.630 -0.000 4.722) 11.632 5.715 ( 0.700 0.000 1.232) 1.417 5.972 ( -9.187 -0.000 -0.029) 9.187 6.104 ( -13.276 -0.000 17.631) 22.070 6.316 ( 4.278 0.000 6.436) 7.728 6.642 ( 6.203 0.000 -13.835) 15.162 6.816 ( -1.784 -0.000 -0.995) 2.042 7.163 ( 6.132 0.000 -4.531) 7.625 7.319 ( 4.094 0.000 -3.781) 5.573 7.949 ( -6.440 -0.000 -6.192) 8.935 8.435 ( -7.280 -0.000 11.366) 13.498 8.604 ( 5.913 0.000 -2.264) 6.332 9.255 ( 6.163 0.000 -11.897) 13.399 9.325 ( -7.818 -0.000 0.376) 7.827 9.359 ( 0.018 0.000 6.310) 6.310 9.541 ( -8.393 -0.000 10.842) 13.711 10.063 ( -0.842 -0.000 -3.145) 3.256 10.402 ( 0.484 0.000 0.090) 0.492 10.463 ( -2.377 -0.000 9.939) 10.219 10.732 ( 2.632 0.000 -0.820) 2.757 11.445 ( 0.177 0.000 4.625) 4.628 11.806 ( 3.837 0.000 -7.544) 8.464 12.344 ( 10.622 0.000 -4.241) 11.438 12.856 ( 2.560 0.000 1.316) 2.878 13.209 ( -3.466 -0.000 0.329) 3.482 14.104 ( -5.229 -0.000 2.710) 5.890 14.470 ( 3.187 0.000 0.181) 3.193 14.565 ( 0.468 0.000 -6.353) 6.370 14.568 ( -2.248 -0.000 -0.198) 2.257 15.634 ( 1.911 0.000 0.557) 1.990 16.231 ( -0.721 -0.000 -1.856) 1.991 16.422 ( -0.370 -0.000 1.505) 1.550 17.803 ( 10.764 0.000 -0.159) 10.765 18.728 ( 9.421 0.000 -24.824) 26.552 20.213 ( -6.294 -0.000 -0.474) 6.312 21.296 ( 1.068 0.000 1.672) 1.984 23.451 ( 3.751 0.000 5.643) 6.776 23.789 ( -13.323 -0.000 8.397) 15.748 ======================= Grid point 250 (122/172) ======================= q-point: (-0.50 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -14.189 -0.303 2.005) 14.333 2.245 ( -0.123 -6.823 7.155) 9.887 2.400 ( 12.025 -0.060 -6.229) 13.543 2.589 ( -3.452 -7.837 8.059) 11.759 2.790 ( 15.496 -2.401 -6.470) 16.963 2.884 ( 7.028 -6.038 2.844) 9.693 3.324 ( -5.261 10.143 -2.250) 11.645 3.349 ( -2.063 6.530 -2.925) 7.447 3.530 ( 1.901 0.077 1.743) 2.580 3.727 ( 1.411 3.808 1.145) 4.219 3.805 ( -4.727 -10.043 -9.034) 14.312 3.864 ( -4.737 -0.348 3.834) 6.104 3.946 ( -3.873 -0.993 1.706) 4.347 4.048 ( -0.874 -1.736 0.522) 2.013 4.091 ( -2.350 -1.071 1.125) 2.817 4.671 ( 9.257 1.321 0.937) 9.397 4.734 ( 7.913 2.420 -6.058) 10.255 4.808 ( 7.030 -3.136 2.945) 8.242 5.119 ( 7.123 0.829 -1.217) 7.274 5.170 ( 1.323 0.635 -0.592) 1.582 5.263 ( -18.207 0.731 1.796) 18.310 5.556 ( 1.957 0.765 0.177) 2.109 5.678 ( 0.338 -0.434 1.592) 1.684 5.742 ( 3.068 -10.863 1.865) 11.441 6.049 ( -3.410 -11.839 0.815) 12.347 6.110 ( -9.993 -6.063 17.100) 20.713 6.328 ( 1.542 0.462 5.891) 6.107 6.708 ( 6.355 -4.924 -13.900) 16.057 6.835 ( -1.746 -3.919 -1.179) 4.449 7.163 ( 5.747 2.789 -5.649) 8.528 7.433 ( 3.126 -8.830 -4.174) 10.255 7.846 ( -5.272 4.046 -3.133) 7.347 8.440 ( -7.810 -3.608 11.508) 14.368 8.759 ( 4.130 -13.008 -2.170) 13.819 9.186 ( -2.404 6.509 3.222) 7.650 9.317 ( 2.311 -6.633 -9.335) 11.683 9.439 ( -8.056 -3.618 4.070) 9.724 9.577 ( 5.715 -5.447 3.336) 8.571 10.069 ( -0.197 -1.940 -1.714) 2.596 10.230 ( -0.913 10.493 6.037) 12.140 10.589 ( -2.017 -3.897 -2.769) 5.189 10.870 ( 3.166 -14.519 3.308) 15.224 11.488 ( -0.275 -3.680 4.450) 5.781 11.855 ( 2.033 -4.012 -5.102) 6.801 12.364 ( 5.986 4.115 -2.845) 7.801 12.844 ( 1.177 2.995 0.650) 3.283 13.133 ( -2.295 6.132 0.478) 6.565 13.976 ( -2.778 9.689 0.810) 10.112 14.467 ( 0.877 6.895 -0.888) 7.007 14.564 ( -0.990 -1.332 -0.774) 1.832 14.609 ( 0.910 -7.876 -2.291) 8.253 15.493 ( 0.813 12.610 0.384) 12.642 16.447 ( 0.478 -21.184 -0.701) 21.201 16.600 ( -0.240 -19.023 2.087) 19.139 17.804 ( 5.587 7.018 -0.471) 8.982 18.630 ( 4.342 11.426 -22.578) 25.675 20.167 ( -3.167 0.715 -0.451) 3.278 21.247 ( 1.519 6.924 0.513) 7.107 23.486 ( 4.211 1.372 6.778) 8.097 23.681 ( -10.820 3.044 6.336) 12.903 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -15.323 -6.017 0.449) 16.468 2.343 ( 2.089 -3.727 -1.651) 4.581 2.540 ( 0.797 -8.217 -0.856) 8.300 2.731 ( 3.715 -7.466 5.391) 9.930 2.923 ( 3.000 0.669 -3.452) 4.622 2.974 ( 7.022 -0.755 -7.438) 10.256 3.161 ( -1.470 5.773 1.022) 6.044 3.244 ( 1.980 1.196 3.117) 3.882 3.527 ( 1.531 4.329 1.390) 4.797 3.705 ( 2.210 3.403 -1.147) 4.216 3.732 ( -1.862 8.830 -1.006) 9.080 3.888 ( -4.210 -5.416 1.508) 7.024 3.978 ( -1.464 -4.642 4.986) 6.968 4.101 ( -0.537 -4.468 -3.800) 5.890 4.149 ( 0.053 -4.415 0.683) 4.468 4.651 ( -4.678 2.616 -3.272) 6.280 4.791 ( 3.571 -5.816 -1.007) 6.898 4.893 ( 3.933 -0.921 3.790) 5.539 5.046 ( -17.809 -0.694 5.447) 18.636 5.120 ( -0.369 3.425 -1.847) 3.908 5.248 ( 9.554 1.465 -0.486) 9.678 5.572 ( 6.749 0.919 -1.882) 7.066 5.715 ( 0.322 -3.912 -0.904) 4.028 5.968 ( 1.634 -4.531 4.469) 6.571 6.125 ( 2.332 0.445 3.202) 3.987 6.217 ( -9.273 -11.357 9.959) 17.724 6.513 ( 2.348 -15.582 3.219) 16.084 6.843 ( 3.781 -10.216 -9.207) 14.263 6.918 ( -1.715 -7.782 -1.828) 8.176 7.153 ( 4.683 1.114 -6.840) 8.364 7.595 ( 2.078 -7.036 -2.641) 7.798 7.740 ( -4.098 2.585 -1.110) 4.971 8.477 ( -6.522 -3.974 12.031) 14.251 9.047 ( 9.341 -3.662 1.282) 10.115 9.110 ( -6.344 -8.772 0.328) 10.830 9.417 ( -0.075 -5.362 -0.522) 5.388 9.510 ( -1.959 -10.862 -3.733) 11.651 9.754 ( 5.707 -9.044 -6.267) 12.395 10.081 ( -1.957 6.526 6.286) 9.270 10.119 ( 1.181 -3.359 0.644) 3.618 10.593 ( 0.531 -0.445 -8.727) 8.755 11.226 ( 2.390 -20.501 5.320) 21.315 11.584 ( -0.420 -6.439 3.660) 7.418 11.919 ( -2.237 -2.735 -0.379) 3.554 12.321 ( 3.966 2.717 -2.672) 5.500 12.781 ( -3.058 3.855 0.760) 4.979 12.977 ( 1.987 10.653 -0.546) 10.850 13.781 ( -1.848 9.738 0.491) 9.924 14.301 ( 0.773 11.904 0.212) 11.931 14.531 ( -1.728 4.598 -1.471) 5.127 14.783 ( 0.540 -10.897 -0.326) 10.915 15.323 ( 1.324 6.279 0.232) 6.421 16.883 ( 1.736 -26.669 1.173) 26.751 17.009 ( -0.062 -23.192 5.085) 23.743 17.673 ( 1.182 8.125 -3.634) 8.979 18.303 ( -1.635 21.301 -19.708) 29.066 20.138 ( -0.138 1.026 -0.931) 1.393 21.092 ( 2.414 12.273 -0.700) 12.527 23.496 ( 3.096 3.009 7.677) 8.808 23.561 ( -7.062 3.235 4.363) 8.909 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -12.387 -11.888 -0.723) 17.184 2.418 ( 4.347 -2.692 -3.813) 6.378 2.662 ( -8.087 -9.151 -1.101) 12.262 2.822 ( -1.354 4.385 -3.864) 6.000 2.924 ( 5.861 -7.218 3.191) 9.830 2.963 ( 0.050 6.395 0.411) 6.408 3.147 ( 9.266 -2.311 -4.112) 10.398 3.301 ( 4.541 -0.216 -0.456) 4.569 3.435 ( 0.507 7.666 3.660) 8.510 3.492 ( -0.975 11.522 -0.088) 11.564 3.669 ( -8.582 -0.270 -5.239) 10.058 3.955 ( 0.232 -0.943 4.117) 4.230 4.013 ( 1.671 4.304 2.542) 5.271 4.155 ( 2.251 -1.035 -5.546) 6.074 4.226 ( -1.530 -5.787 5.458) 8.101 4.601 ( -11.175 -7.580 0.774) 13.526 4.880 ( -5.866 -3.087 8.376) 10.682 4.973 ( 6.588 0.938 2.361) 7.061 4.997 ( -3.102 -4.099 -1.665) 5.403 5.080 ( -2.840 -4.351 -1.589) 5.433 5.285 ( 8.030 2.225 -1.247) 8.425 5.612 ( 6.020 0.346 -2.274) 6.444 5.769 ( -0.688 -1.670 -3.409) 3.858 5.874 ( -1.900 10.173 6.808) 12.388 6.214 ( 1.600 -3.883 0.430) 4.222 6.345 ( -7.381 -7.252 2.716) 10.698 6.713 ( 6.824 -3.219 1.965) 7.797 7.020 ( -1.147 -7.037 0.681) 7.162 7.135 ( 3.174 -9.252 -3.316) 10.328 7.203 ( -2.161 -13.761 -5.713) 15.056 7.657 ( 6.399 2.064 3.536) 7.596 7.745 ( -6.565 -8.634 -5.352) 12.095 8.525 ( -4.854 -3.200 12.994) 14.236 9.014 ( 5.889 5.492 0.864) 8.099 9.258 ( 0.732 -2.559 -1.538) 3.074 9.619 ( -6.238 -13.762 -5.637) 16.127 9.700 ( 0.447 -13.944 -0.508) 13.960 9.922 ( 2.048 -7.490 -7.895) 11.073 10.039 ( 7.163 -1.074 3.224) 7.928 10.213 ( -0.798 -7.330 0.829) 7.420 10.600 ( 2.972 -1.583 -9.528) 10.106 11.572 ( 1.090 -13.134 6.488) 14.689 11.712 ( -0.663 -7.793 2.716) 8.279 11.891 ( -5.006 2.330 4.830) 7.336 12.374 ( 3.209 -6.899 -4.523) 8.852 12.639 ( -8.764 6.865 1.635) 11.252 12.858 ( 8.200 6.046 -1.920) 10.367 13.632 ( -0.764 6.506 1.517) 6.724 14.095 ( -0.427 11.070 1.969) 11.252 14.356 ( -0.583 13.506 -2.179) 13.694 15.000 ( 1.373 -13.667 0.331) 13.740 15.319 ( 2.827 -3.434 -0.245) 4.455 17.126 ( -3.552 13.005 5.964) 14.741 17.353 ( 3.917 -20.541 2.956) 21.119 17.736 ( -8.787 -5.435 -0.893) 10.370 17.857 ( 2.218 5.147 -21.279) 22.004 20.117 ( 0.713 1.571 -1.614) 2.362 20.874 ( 3.685 14.534 -2.302) 15.169 23.436 ( -3.329 4.035 5.677) 7.720 23.519 ( 0.780 1.283 5.576) 5.775 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -9.256 -14.363 -1.429) 17.147 2.487 ( 4.428 -1.938 -1.290) 5.003 2.680 ( -2.489 1.715 -3.637) 4.729 2.775 ( -2.241 4.431 -1.712) 5.253 2.827 ( -0.575 1.229 1.873) 2.313 3.120 ( 2.557 -6.960 2.138) 7.717 3.228 ( 4.645 3.299 -0.614) 5.730 3.283 ( 2.567 7.158 -1.970) 7.855 3.301 ( 2.935 -1.250 -6.156) 6.934 3.373 ( -1.652 2.884 1.332) 3.580 3.631 ( -9.019 -4.663 -0.016) 10.153 3.804 ( -0.409 14.452 1.973) 14.592 3.992 ( -1.120 1.178 -2.434) 2.926 4.115 ( 1.112 2.596 -4.909) 5.663 4.370 ( -0.580 -8.064 7.472) 11.009 4.742 ( -3.506 -11.790 6.423) 13.877 4.897 ( -6.005 -1.584 5.893) 8.561 4.969 ( 1.458 1.967 2.949) 3.832 5.010 ( 5.634 1.636 1.656) 6.096 5.231 ( -2.127 -9.530 -2.418) 10.060 5.298 ( 6.701 2.247 -2.869) 7.628 5.573 ( -0.917 9.276 -1.945) 9.522 5.714 ( 1.512 2.512 1.786) 3.433 5.782 ( -1.115 -0.195 -3.837) 4.001 6.252 ( -0.289 0.315 -0.713) 0.832 6.353 ( -3.608 0.199 -0.577) 3.659 6.798 ( 4.752 -0.543 4.885) 6.837 7.101 ( -1.967 -3.488 2.869) 4.926 7.167 ( 0.023 0.690 -3.402) 3.471 7.457 ( -4.941 -12.340 -1.715) 13.403 7.727 ( 8.455 -1.115 3.850) 9.357 7.869 ( -4.217 -11.792 -4.863) 13.434 8.568 ( -4.087 -2.294 14.339) 15.085 8.976 ( 9.078 5.467 -2.777) 10.955 9.271 ( -0.736 -0.385 -3.032) 3.143 9.661 ( -12.445 -4.348 -3.551) 13.652 9.860 ( -0.947 -3.443 -3.005) 4.667 10.044 ( 6.549 -5.004 -9.693) 12.723 10.221 ( 4.764 -6.683 1.990) 8.445 10.412 ( 3.463 -15.647 -1.277) 16.076 10.662 ( 4.585 -5.595 -6.143) 9.490 11.639 ( -2.476 5.667 6.593) 9.039 11.796 ( -4.134 6.369 4.659) 8.908 11.838 ( -0.682 -4.738 3.353) 5.844 12.478 ( 1.469 4.461 0.531) 4.727 12.586 ( -7.112 -13.862 -0.222) 15.581 12.896 ( 7.867 -5.333 -1.838) 9.680 13.528 ( -0.415 5.862 1.632) 6.099 13.973 ( -2.783 1.331 1.684) 3.515 14.076 ( 1.451 16.937 -1.222) 17.043 15.291 ( 4.014 -17.252 0.225) 17.715 15.455 ( 4.569 -7.883 -0.489) 9.124 16.759 ( -4.850 22.607 1.183) 23.151 17.134 ( -5.677 29.112 -7.048) 30.487 17.838 ( -1.535 -17.951 1.731) 18.099 18.221 ( 2.104 -22.473 -6.955) 23.618 20.088 ( -0.311 1.099 -1.977) 2.283 20.660 ( 4.707 12.122 -4.253) 13.682 23.367 ( -2.087 2.768 5.001) 6.085 23.525 ( -0.255 -0.347 5.917) 5.933 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -2.518 -2.177 -2.834) 4.372 2.526 ( 6.992 4.777 1.466) 8.594 2.631 ( 0.068 4.293 0.996) 4.408 2.640 ( 3.580 -0.181 -4.296) 5.595 2.878 ( -6.448 -6.927 -1.451) 9.574 3.145 ( -1.438 2.823 -1.039) 3.334 3.156 ( 0.279 5.538 -3.431) 6.521 3.266 ( 1.209 -2.588 1.887) 3.424 3.321 ( -1.664 -2.605 2.084) 3.727 3.376 ( -1.697 2.744 -4.249) 5.335 3.606 ( 0.132 2.615 0.086) 2.619 3.663 ( -1.631 -3.110 0.829) 3.609 3.927 ( -3.694 2.070 -3.992) 5.819 4.110 ( 2.641 -0.932 -0.988) 2.970 4.500 ( 1.879 -3.655 6.217) 7.453 4.807 ( -0.197 9.279 5.441) 10.759 4.900 ( 0.554 -3.329 5.951) 6.841 4.975 ( -2.205 -0.426 2.517) 3.373 5.070 ( 7.356 -2.675 2.101) 8.105 5.239 ( -7.992 4.074 0.579) 8.989 5.286 ( 5.408 4.420 -7.017) 9.901 5.410 ( 0.638 5.148 3.013) 5.999 5.719 ( 1.078 -2.915 -6.953) 7.616 5.832 ( 1.856 -4.781 -2.958) 5.920 6.202 ( -1.723 2.927 0.354) 3.415 6.319 ( 0.143 1.990 -1.429) 2.454 6.823 ( 2.171 2.337 6.815) 7.524 7.125 ( -5.388 -1.560 3.226) 6.471 7.148 ( 1.413 0.536 -1.300) 1.993 7.531 ( -5.538 -2.188 -3.017) 6.675 7.805 ( 6.791 0.701 5.542) 8.793 7.984 ( -3.392 -3.290 -3.635) 5.962 8.608 ( -3.226 -1.907 14.494) 14.970 8.960 ( 11.112 4.210 -5.323) 13.021 9.249 ( -2.311 0.485 -4.815) 5.363 9.621 ( -10.964 -3.142 -1.758) 11.540 9.849 ( 0.013 2.406 -4.537) 5.136 10.131 ( 7.321 -1.072 -11.027) 13.280 10.305 ( -2.092 -2.470 1.099) 3.418 10.584 ( -1.354 -3.790 -7.965) 8.924 10.974 ( 12.221 -20.238 4.445) 24.056 11.392 ( -5.443 18.514 3.773) 19.663 11.662 ( -1.931 6.520 3.897) 7.838 11.875 ( -1.453 0.161 3.579) 3.866 12.456 ( 1.382 0.776 2.553) 3.005 12.643 ( -1.345 3.034 1.906) 3.827 13.160 ( 0.370 -14.333 -1.445) 14.410 13.452 ( -3.284 -0.273 1.579) 3.654 13.786 ( 0.399 10.236 -2.363) 10.513 14.067 ( -0.530 -9.139 2.297) 9.438 15.566 ( 1.058 -2.830 1.586) 3.412 15.662 ( 4.300 -14.790 -1.887) 15.518 16.349 ( -2.058 18.701 0.906) 18.835 16.652 ( 2.997 17.954 -7.976) 19.873 18.011 ( 0.390 -0.100 4.171) 4.190 18.512 ( -2.809 -12.099 -8.920) 15.292 20.085 ( -1.106 -2.467 -1.870) 3.287 20.541 ( 4.321 3.626 -4.726) 7.359 23.330 ( -0.633 1.572 4.635) 4.935 23.558 ( -2.495 -3.074 6.434) 7.554 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -17.324 -0.000 3.918) 17.762 2.091 ( -17.131 -0.000 10.962) 20.338 2.489 ( 12.936 0.000 0.885) 12.966 2.569 ( 8.405 0.000 -0.352) 8.413 2.878 ( 12.343 0.000 -2.006) 12.505 2.899 ( 9.951 0.000 -0.467) 9.962 3.373 ( -2.913 -0.000 1.863) 3.458 3.449 ( -2.388 -0.000 -6.814) 7.220 3.495 ( -7.723 -0.000 -14.829) 16.720 3.557 ( -7.278 -0.000 7.258) 10.278 3.790 ( 1.015 0.000 0.161) 1.027 3.815 ( -2.201 -0.000 2.494) 3.326 3.960 ( 3.787 0.000 0.618) 3.837 4.027 ( 0.766 0.000 0.808) 1.114 4.115 ( 3.634 0.000 2.180) 4.237 4.729 ( -1.071 -0.000 2.407) 2.635 4.774 ( -6.399 -0.000 -5.294) 8.305 4.806 ( 6.415 0.000 -5.004) 8.136 5.055 ( -18.236 -0.000 8.034) 19.927 5.172 ( -0.750 -0.000 -0.561) 0.937 5.286 ( 12.601 0.000 -0.538) 12.612 5.611 ( 10.068 0.000 -3.127) 10.542 5.643 ( 3.550 0.000 1.514) 3.859 5.732 ( -0.115 -0.000 2.418) 2.421 5.859 ( -3.236 -0.000 -0.620) 3.295 6.016 ( -7.294 -0.000 17.052) 18.547 6.383 ( -0.766 -0.000 8.111) 8.147 6.686 ( 7.488 0.000 -14.668) 16.468 6.792 ( -0.558 -0.000 -0.928) 1.082 7.231 ( 5.092 0.000 -6.825) 8.515 7.335 ( 0.108 0.000 -3.831) 3.832 7.832 ( -4.794 -0.000 -3.711) 6.063 8.370 ( -7.346 -0.000 12.034) 14.099 8.659 ( 0.881 0.000 -2.104) 2.281 9.210 ( -0.583 -0.000 -1.123) 1.265 9.328 ( -3.629 -0.000 5.287) 6.413 9.342 ( 6.375 0.000 -9.770) 11.666 9.596 ( 6.721 0.000 8.355) 10.723 10.046 ( 0.344 0.000 -2.377) 2.401 10.401 ( -0.760 -0.000 0.110) 0.768 10.486 ( 0.600 0.000 9.764) 9.783 10.756 ( 0.811 0.000 -0.948) 1.248 11.460 ( -1.086 -0.000 4.653) 4.778 11.819 ( 1.601 0.000 -7.730) 7.894 12.436 ( 3.351 0.000 -3.086) 4.556 12.868 ( -1.947 -0.000 0.880) 2.137 13.180 ( -0.149 -0.000 1.182) 1.191 14.066 ( -1.480 -0.000 0.703) 1.638 14.498 ( -0.461 -0.000 0.279) 0.539 14.545 ( 0.262 0.000 -0.261) 0.370 14.568 ( 3.097 0.000 -5.334) 6.167 15.643 ( -1.092 -0.000 0.883) 1.404 16.218 ( 0.218 0.000 -1.772) 1.786 16.425 ( -0.147 -0.000 1.415) 1.423 17.884 ( -1.250 -0.000 1.079) 1.651 18.703 ( 0.822 0.000 -22.578) 22.593 20.158 ( -0.156 -0.000 -0.001) 0.156 21.324 ( 2.231 0.000 -0.162) 2.237 23.557 ( 5.786 0.000 8.625) 10.386 23.636 ( -10.060 -0.000 5.042) 11.253 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -19.607 -0.373 6.696) 20.723 2.112 ( -17.613 -12.413 8.771) 23.264 2.560 ( 9.944 2.688 -6.868) 12.380 2.691 ( 9.467 -5.123 6.453) 12.550 2.938 ( -0.936 0.754 -3.942) 4.121 2.998 ( 13.552 -2.523 -7.161) 15.534 3.239 ( -4.680 7.221 0.170) 8.606 3.327 ( 1.220 4.359 -0.041) 4.527 3.556 ( -0.137 -4.358 -7.496) 8.672 3.597 ( -12.226 -8.032 2.777) 14.890 3.758 ( 0.101 0.742 3.741) 3.815 3.847 ( 0.556 -0.434 1.592) 1.742 3.995 ( 5.324 0.232 0.135) 5.331 4.063 ( 2.375 -2.015 -0.429) 3.145 4.120 ( 6.237 2.868 1.862) 7.113 4.614 ( -19.673 2.330 -2.993) 20.035 4.742 ( -1.236 -1.402 -1.813) 2.604 4.824 ( -6.732 -2.900 2.836) 7.860 4.986 ( -1.730 0.729 4.366) 4.752 5.147 ( -3.437 1.278 -0.767) 3.747 5.348 ( 6.783 1.049 -1.478) 7.021 5.660 ( 7.998 2.611 -1.496) 8.545 5.704 ( 5.631 0.573 -1.375) 5.825 5.802 ( 4.691 -12.235 -1.346) 13.172 6.000 ( -4.085 -9.999 6.132) 12.420 6.109 ( 1.137 -10.416 11.801) 15.782 6.337 ( -4.329 1.957 6.419) 7.986 6.754 ( 7.000 -4.279 -13.047) 15.412 6.817 ( 0.005 -3.276 -0.610) 3.333 7.206 ( 3.359 2.805 -7.392) 8.590 7.422 ( -2.484 -8.787 -3.777) 9.881 7.776 ( -1.863 2.232 -0.540) 2.957 8.385 ( -5.682 -4.170 11.912) 13.841 8.765 ( -1.738 -13.351 -1.398) 13.536 9.209 ( 4.211 3.147 2.173) 5.689 9.329 ( 3.306 -3.638 -6.176) 7.894 9.403 ( 1.490 -2.451 1.122) 3.079 9.701 ( 8.977 -2.932 0.166) 9.445 10.053 ( -1.001 -1.045 -0.499) 1.531 10.254 ( 0.255 9.645 5.027) 10.879 10.573 ( 1.896 -1.627 -1.935) 3.160 10.917 ( 1.162 -16.324 2.433) 16.545 11.494 ( -1.558 -3.897 4.269) 5.987 11.840 ( -1.105 -3.508 -5.722) 6.802 12.405 ( 1.239 3.820 -3.388) 5.254 12.817 ( -4.791 3.246 1.332) 5.938 13.139 ( 2.341 5.668 0.732) 6.176 13.949 ( -1.131 9.969 -0.255) 10.037 14.475 ( -0.210 6.141 0.322) 6.153 14.559 ( 1.627 0.541 -1.809) 2.492 14.617 ( 1.026 -7.863 -1.673) 8.104 15.493 ( -0.928 11.475 0.303) 11.517 16.446 ( -0.054 -21.945 -1.117) 21.974 16.617 ( 1.292 -20.132 2.199) 20.293 17.794 ( -6.940 6.536 1.020) 9.587 18.533 ( -4.437 12.097 -21.543) 25.102 20.164 ( 3.038 0.810 -0.062) 3.145 21.282 ( 3.068 6.936 -0.841) 7.631 23.553 ( -8.289 2.093 4.408) 9.618 23.608 ( 6.641 2.448 9.266) 11.660 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -16.752 -8.468 5.578) 19.582 2.244 ( -14.607 -14.267 6.613) 21.463 2.561 ( 5.666 1.571 -9.254) 10.964 2.819 ( -2.622 -0.957 -2.840) 3.982 2.905 ( 6.880 -1.493 -0.885) 7.095 3.071 ( 3.463 3.984 -1.667) 5.536 3.194 ( 5.834 -3.463 -2.698) 7.301 3.285 ( 1.209 1.131 4.525) 4.818 3.544 ( -2.054 2.505 -9.432) 9.973 3.572 ( -9.185 1.600 2.315) 9.606 3.703 ( -1.894 8.970 1.847) 9.352 3.932 ( 2.539 -7.134 8.008) 11.021 4.019 ( 2.258 0.551 2.011) 3.074 4.118 ( 3.637 -2.041 -1.410) 4.403 4.193 ( 5.239 -4.031 0.407) 6.623 4.416 ( -19.056 -0.220 0.034) 19.058 4.777 ( -10.056 -6.486 -0.249) 11.969 4.835 ( 0.977 -2.194 4.186) 4.826 5.008 ( 1.081 -2.237 -0.493) 2.533 5.077 ( -2.146 2.458 -1.639) 3.651 5.376 ( 4.720 0.536 -1.172) 4.893 5.676 ( 5.045 1.824 -0.844) 5.430 5.746 ( 4.859 -0.222 -2.798) 5.612 5.989 ( -1.644 -0.751 4.193) 4.566 6.146 ( -2.809 -9.760 3.990) 10.912 6.157 ( -1.138 -0.036 3.379) 3.566 6.563 ( 1.961 -21.048 5.693) 21.892 6.877 ( 5.435 -7.570 -7.824) 12.168 6.904 ( 0.612 -6.707 -0.188) 6.737 7.172 ( 2.577 1.541 -8.734) 9.235 7.528 ( -7.524 -8.462 -3.121) 11.745 7.741 ( 2.846 1.937 2.483) 4.245 8.459 ( -2.905 -4.458 11.786) 12.932 9.036 ( -2.073 -13.924 -1.864) 14.200 9.219 ( 10.502 -0.047 2.366) 10.766 9.392 ( -1.076 -3.412 -6.614) 7.519 9.514 ( 2.834 -8.545 4.469) 10.051 9.813 ( 4.724 -4.172 -8.114) 10.275 10.061 ( -1.525 -1.764 4.719) 5.264 10.162 ( 2.373 2.021 -1.505) 3.462 10.600 ( 4.803 -0.289 -5.263) 7.131 11.264 ( 0.148 -20.807 2.313) 20.936 11.587 ( -1.262 -6.773 3.272) 7.628 11.863 ( -4.658 -1.541 0.517) 4.933 12.359 ( 2.895 1.140 -4.540) 5.504 12.684 ( -8.645 6.039 1.567) 10.662 13.045 ( 5.546 7.956 -0.805) 9.732 13.769 ( 0.137 9.286 1.249) 9.371 14.305 ( -0.138 12.263 0.193) 12.265 14.528 ( 0.947 5.321 -0.315) 5.414 14.795 ( 1.744 -11.273 -0.097) 11.408 15.339 ( 0.706 4.383 -0.772) 4.506 16.873 ( -2.692 -26.334 -2.265) 26.568 17.073 ( 4.293 -24.153 7.996) 25.802 17.589 ( -9.731 6.325 -1.558) 11.710 18.136 ( -7.981 20.995 -20.963) 30.724 20.167 ( 3.989 2.306 -0.484) 4.633 21.136 ( 3.734 12.213 -1.760) 12.891 23.462 ( -6.289 2.503 3.663) 7.696 23.618 ( 5.952 4.543 9.490) 12.088 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -12.292 -14.401 3.897) 19.330 2.377 ( -13.069 -11.947 4.131) 18.182 2.565 ( 2.233 -1.000 -8.915) 9.245 2.770 ( -1.866 1.101 -5.240) 5.670 2.991 ( 3.115 5.186 0.337) 6.059 3.047 ( 7.959 -4.310 -0.006) 9.051 3.277 ( 7.892 0.345 -1.264) 8.000 3.346 ( 1.838 -0.880 -0.870) 2.216 3.412 ( -13.048 3.036 -6.003) 14.680 3.462 ( 0.812 6.431 3.129) 7.198 3.517 ( -1.789 5.883 1.969) 6.457 3.975 ( 0.766 4.470 1.240) 4.702 4.040 ( 1.621 3.317 -0.535) 3.730 4.144 ( -10.376 0.940 2.469) 10.707 4.229 ( 3.943 -5.096 2.474) 6.902 4.500 ( -1.025 -14.169 4.665) 14.952 4.777 ( -10.413 -3.924 5.660) 12.484 4.952 ( -1.791 -7.302 -2.186) 7.830 5.052 ( 0.803 -4.625 -3.809) 6.046 5.078 ( 4.971 -0.600 0.520) 5.034 5.393 ( 5.709 1.851 -0.796) 6.054 5.652 ( -1.187 3.045 -0.786) 3.362 5.759 ( 1.051 0.589 -3.268) 3.483 5.851 ( -4.093 9.552 6.027) 12.013 6.226 ( 0.012 -3.843 -1.320) 4.063 6.265 ( -3.509 -5.525 0.333) 6.553 6.839 ( 6.846 -3.791 4.670) 9.113 7.027 ( 1.369 -5.474 2.852) 6.322 7.133 ( -2.386 -19.162 -1.886) 19.402 7.154 ( 1.099 -0.328 -8.520) 8.597 7.611 ( -7.286 -10.429 -3.174) 13.112 7.778 ( 6.863 -1.059 3.456) 7.756 8.534 ( -1.976 -2.881 13.165) 13.620 9.103 ( 4.237 1.519 -4.449) 6.328 9.301 ( 7.179 3.126 0.463) 7.843 9.442 ( -11.893 -7.489 -3.523) 14.490 9.743 ( 3.485 -9.988 1.744) 10.722 9.925 ( 3.112 -10.137 -9.219) 14.051 10.143 ( -1.599 -4.958 1.813) 5.516 10.225 ( 8.690 -8.583 -3.439) 12.689 10.645 ( 6.613 -0.950 -4.758) 8.202 11.582 ( -2.615 -11.971 1.554) 12.352 11.704 ( -1.937 -7.426 2.470) 8.062 11.848 ( -3.259 -0.688 7.707) 8.396 12.361 ( -3.973 -1.270 -3.322) 5.332 12.542 ( -2.931 1.858 -0.411) 3.494 12.970 ( 7.125 5.137 -2.271) 9.073 13.646 ( 1.800 6.653 2.916) 7.484 14.081 ( -1.408 11.731 0.684) 11.835 14.366 ( 1.332 13.947 0.820) 14.034 15.042 ( 4.030 -14.858 -0.091) 15.395 15.371 ( 4.052 -5.586 -1.236) 7.010 17.001 ( -12.800 9.829 -1.594) 16.216 17.446 ( -4.586 -2.837 12.143) 13.287 17.485 ( -12.140 -3.224 -3.558) 13.055 17.873 ( 10.649 -14.748 -21.323) 28.027 20.138 ( 2.598 3.796 -0.785) 4.666 20.924 ( 3.852 14.410 -3.370) 15.292 23.390 ( -4.373 1.783 3.821) 6.075 23.594 ( 3.803 4.716 8.513) 10.448 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -8.156 -16.332 1.962) 18.360 2.486 ( -11.531 -10.873 3.131) 16.155 2.593 ( 2.690 -2.181 -7.026) 7.833 2.724 ( -0.966 2.167 -2.556) 3.487 2.918 ( 8.129 7.884 0.507) 11.335 3.149 ( -1.305 0.132 -1.445) 1.951 3.220 ( -6.311 3.037 -5.668) 9.010 3.270 ( 0.159 5.131 -2.024) 5.518 3.327 ( 5.181 0.282 -1.893) 5.524 3.389 ( 2.173 1.931 4.801) 5.613 3.583 ( 1.990 -4.321 1.011) 4.864 3.805 ( -0.400 12.459 1.138) 12.517 3.959 ( -0.269 4.587 -5.232) 6.964 4.095 ( -1.407 -0.951 -0.803) 1.878 4.381 ( -2.401 -9.297 7.524) 12.199 4.754 ( 0.039 -11.990 5.733) 13.290 4.791 ( -9.903 -5.058 5.497) 12.404 5.006 ( 1.436 -1.284 0.816) 2.092 5.114 ( 6.064 1.323 -0.259) 6.212 5.170 ( -3.228 -5.915 -1.572) 6.920 5.401 ( 7.716 3.203 -3.878) 9.211 5.532 ( -3.576 7.159 -0.773) 8.040 5.699 ( -5.253 3.664 1.396) 6.555 5.765 ( 1.392 -1.951 -1.454) 2.803 6.230 ( -1.214 1.299 -2.896) 3.398 6.314 ( -1.051 -2.113 -0.400) 2.394 6.903 ( 4.712 1.658 5.776) 7.637 7.085 ( -1.109 -0.555 2.278) 2.594 7.145 ( -0.772 -0.668 -3.094) 3.258 7.380 ( -3.163 -10.509 -2.910) 11.354 7.765 ( -4.886 -10.629 2.612) 11.986 7.894 ( 8.421 -4.049 -0.352) 9.350 8.589 ( -2.116 -2.049 14.146) 14.449 9.081 ( 2.761 2.872 -6.902) 7.969 9.291 ( 8.513 4.340 -0.349) 9.562 9.432 ( -13.679 -5.477 -2.879) 15.014 9.852 ( 1.386 -2.049 -3.647) 4.407 10.089 ( 5.020 -5.922 -11.818) 14.140 10.212 ( -4.026 -5.659 1.575) 7.121 10.523 ( 9.195 -8.790 -4.833) 13.608 10.762 ( 9.549 -11.392 1.415) 14.932 11.604 ( -5.687 3.954 5.177) 8.647 11.727 ( -6.295 8.487 1.205) 10.636 11.842 ( -1.096 -3.137 5.185) 6.159 12.439 ( -6.968 -11.439 4.345) 14.081 12.554 ( 2.707 -2.021 -2.872) 4.434 13.005 ( 7.182 -4.235 -2.130) 8.605 13.542 ( 1.638 8.754 1.962) 9.119 13.923 ( -2.637 4.361 -1.210) 5.238 14.113 ( 1.805 14.323 2.785) 14.702 15.376 ( 6.767 -18.223 -0.930) 19.461 15.540 ( 5.925 -7.197 0.276) 9.327 16.626 ( -11.671 17.660 -1.476) 21.220 16.932 ( -15.562 20.938 -6.096) 26.790 17.872 ( 2.270 -17.504 5.922) 18.617 18.250 ( 8.025 -16.466 -11.052) 21.394 20.085 ( 0.788 2.927 -0.895) 3.160 20.704 ( 3.039 12.058 -5.202) 13.479 23.350 ( -2.719 0.787 4.327) 5.170 23.563 ( 1.075 2.867 7.211) 7.834 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -20.092 -0.000 11.246) 23.026 1.800 ( -23.791 -0.000 11.482) 26.417 2.671 ( 2.768 0.000 -0.663) 2.847 2.694 ( 10.053 0.000 -0.910) 10.094 2.933 ( -2.226 -0.000 -8.286) 8.580 3.068 ( 12.901 0.000 -4.348) 13.614 3.322 ( -8.840 -0.000 0.078) 8.840 3.335 ( -3.861 -0.000 -10.471) 11.160 3.375 ( 1.719 0.000 1.912) 2.571 3.506 ( -4.714 -0.000 5.570) 7.297 3.813 ( 1.969 0.000 1.395) 2.413 3.826 ( 1.732 0.000 3.832) 4.205 4.023 ( 4.177 0.000 -1.716) 4.516 4.070 ( 4.353 0.000 0.696) 4.408 4.258 ( 9.020 0.000 2.386) 9.330 4.440 ( -23.983 -0.000 0.624) 23.991 4.708 ( -3.004 -0.000 2.349) 3.813 4.743 ( -6.590 -0.000 -0.459) 6.606 5.007 ( 0.930 0.000 -2.211) 2.398 5.118 ( -5.271 -0.000 -0.532) 5.298 5.379 ( 0.985 0.000 -2.392) 2.587 5.687 ( -0.054 -0.000 -0.957) 0.959 5.714 ( -1.643 -0.000 2.179) 2.729 5.798 ( 12.017 0.000 -5.915) 13.394 5.923 ( 11.029 0.000 1.242) 11.099 6.042 ( 1.006 0.000 14.753) 14.787 6.354 ( -6.983 -0.000 6.843) 9.776 6.735 ( 6.160 0.000 -11.815) 13.325 6.789 ( 0.228 0.000 -0.205) 0.306 7.261 ( 3.927 0.000 -8.474) 9.340 7.288 ( -3.879 -0.000 -3.036) 4.926 7.783 ( -0.665 -0.000 1.538) 1.676 8.320 ( -5.123 -0.000 9.908) 11.154 8.631 ( -2.080 -0.000 -0.226) 2.092 9.237 ( 3.066 0.000 -4.148) 5.158 9.348 ( 2.850 0.000 5.158) 5.893 9.409 ( 7.883 0.000 -7.548) 10.914 9.771 ( 11.319 0.000 4.037) 12.017 10.053 ( 2.474 0.000 -3.480) 4.270 10.380 ( -1.866 -0.000 0.662) 1.980 10.588 ( 6.622 0.000 9.977) 11.975 10.749 ( -0.897 -0.000 -1.321) 1.596 11.452 ( -2.614 -0.000 4.460) 5.170 11.770 ( -3.191 -0.000 -9.820) 10.326 12.423 ( -3.059 -0.000 -5.809) 6.565 12.814 ( -5.273 -0.000 2.917) 6.026 13.209 ( 2.604 0.000 1.067) 2.814 14.045 ( -1.167 -0.000 -0.184) 1.181 14.465 ( -3.282 -0.000 0.329) 3.299 14.568 ( 2.075 0.000 -0.186) 2.083 14.608 ( 4.810 0.000 -4.963) 6.911 15.614 ( -3.081 -0.000 1.101) 3.272 16.223 ( 1.360 0.000 -1.500) 2.025 16.429 ( -0.128 -0.000 1.179) 1.186 17.777 ( -12.841 -0.000 3.069) 13.203 18.534 ( -9.751 -0.000 -22.166) 24.216 20.210 ( 6.356 0.000 0.118) 6.357 21.368 ( 3.837 0.000 -1.278) 4.044 23.514 ( -7.848 -0.000 3.257) 8.497 23.724 ( 9.747 0.000 11.827) 15.325 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -20.169 -2.017 12.491) 23.809 1.850 ( -20.677 -15.455 11.293) 28.177 2.606 ( -4.262 2.121 -5.711) 7.435 2.839 ( 4.861 3.934 -5.893) 8.593 2.845 ( -1.621 -6.931 -3.502) 7.933 3.157 ( 2.854 3.021 -3.857) 5.670 3.175 ( 2.370 1.235 0.937) 2.832 3.361 ( -5.393 -1.069 -2.325) 5.970 3.404 ( 2.559 -1.382 -3.816) 4.798 3.563 ( -3.187 -6.717 5.456) 9.222 3.780 ( 0.791 3.412 4.677) 5.843 3.874 ( 0.072 -0.104 3.311) 3.314 4.061 ( 3.052 -1.336 -2.151) 3.966 4.124 ( 5.217 -1.115 0.207) 5.338 4.243 ( -5.005 0.262 1.808) 5.328 4.281 ( -4.563 4.892 3.908) 7.748 4.644 ( -8.114 -0.311 -1.815) 8.320 4.816 ( 2.777 -5.638 2.150) 6.643 4.964 ( -3.258 1.778 -6.103) 7.143 5.075 ( -4.700 0.010 0.001) 4.700 5.373 ( 0.035 -0.432 -0.182) 0.470 5.710 ( -1.622 -2.557 -0.971) 3.180 5.777 ( 1.834 -2.628 0.075) 3.206 5.890 ( 7.575 -5.484 -5.764) 10.986 6.036 ( 4.785 -3.273 4.988) 7.647 6.208 ( 2.668 -3.474 7.623) 8.792 6.263 ( -5.290 -5.377 5.599) 9.394 6.803 ( 5.362 -4.917 -8.257) 11.005 6.827 ( 0.868 -3.832 0.699) 3.991 7.218 ( 3.342 2.683 -8.121) 9.183 7.333 ( -5.830 -5.795 -2.920) 8.723 7.786 ( 1.784 0.600 4.056) 4.472 8.372 ( -1.848 -5.802 8.255) 10.258 8.740 ( -0.255 -13.745 0.229) 13.749 9.256 ( 0.906 -1.053 -6.018) 6.176 9.399 ( 7.708 -1.027 -0.093) 7.777 9.473 ( 6.299 -1.799 0.372) 6.561 9.858 ( 10.944 2.213 -0.956) 11.206 10.040 ( -0.205 1.700 -0.055) 1.714 10.263 ( -0.903 7.822 0.242) 7.878 10.639 ( 6.211 0.515 1.128) 6.334 10.934 ( 0.309 -16.490 0.517) 16.501 11.479 ( -2.646 -4.448 4.009) 6.547 11.764 ( -4.889 -4.872 -6.494) 9.477 12.359 ( -4.791 0.105 -8.935) 10.139 12.730 ( -7.062 5.418 3.986) 9.753 13.191 ( 3.482 4.603 0.377) 5.784 13.945 ( 1.129 9.025 1.741) 9.260 14.468 ( -1.348 1.563 1.554) 2.583 14.556 ( -0.005 3.201 -4.860) 5.820 14.662 ( 4.990 -6.144 0.829) 7.958 15.467 ( -2.621 10.051 -0.230) 10.390 16.436 ( -0.460 -20.138 -1.162) 20.177 16.661 ( 3.296 -23.759 0.870) 24.003 17.617 ( -15.785 5.821 3.913) 17.273 18.284 ( -14.778 11.290 -21.523) 28.445 20.251 ( 7.466 1.964 -0.175) 7.722 21.334 ( 4.066 7.107 -1.883) 8.402 23.451 ( -6.577 1.286 2.739) 7.239 23.795 ( 10.744 4.803 12.770) 17.366 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -14.733 -10.982 11.193) 21.516 1.997 ( -20.348 -16.007 7.598) 26.982 2.553 ( -3.541 -2.095 -9.442) 10.299 2.767 ( 3.609 2.189 -9.404) 10.308 3.010 ( 1.157 -8.625 0.881) 8.747 3.071 ( -1.723 2.541 6.422) 7.118 3.239 ( -3.286 -2.693 -9.299) 10.223 3.297 ( -3.783 0.556 2.122) 4.373 3.419 ( 8.095 3.297 -3.024) 9.249 3.585 ( 0.838 4.888 2.042) 5.364 3.686 ( -1.385 9.275 1.450) 9.489 3.902 ( -11.341 -8.470 10.438) 17.587 4.071 ( 3.880 3.575 -1.683) 5.538 4.126 ( -2.231 2.159 0.799) 3.206 4.266 ( 4.470 -1.645 -0.850) 4.838 4.314 ( 4.788 -7.172 4.015) 9.512 4.618 ( -9.819 -4.818 -0.534) 10.951 4.865 ( -0.115 0.426 -2.542) 2.580 4.959 ( -0.866 -5.087 -6.526) 8.319 5.072 ( -0.569 -2.845 1.249) 3.158 5.406 ( 0.242 -2.287 2.584) 3.459 5.688 ( -2.933 2.714 -1.350) 4.218 5.797 ( 1.339 1.693 -0.628) 2.248 5.972 ( -2.139 4.401 2.983) 5.731 6.121 ( -3.078 -4.618 -0.061) 5.550 6.151 ( 1.188 -4.908 -1.739) 5.340 6.640 ( 4.299 -22.523 6.230) 23.761 6.922 ( 1.857 -5.418 -0.803) 5.784 6.945 ( 4.728 -7.287 0.120) 8.687 7.175 ( 3.637 3.339 -8.943) 10.215 7.382 ( -8.710 -7.974 -1.737) 11.936 7.818 ( 4.647 -0.550 4.926) 6.794 8.484 ( -0.074 -4.978 8.521) 9.869 9.016 ( 0.194 -12.589 -2.821) 12.903 9.263 ( -3.658 -2.755 -6.380) 7.853 9.471 ( 12.456 3.226 0.395) 12.873 9.612 ( 5.872 -9.264 5.649) 12.338 9.807 ( -1.344 2.225 -3.920) 4.704 10.061 ( -1.453 -2.877 0.541) 3.268 10.202 ( 6.678 -1.015 -7.239) 9.901 10.690 ( 7.475 0.065 -0.484) 7.491 11.253 ( -1.615 -20.291 -1.741) 20.430 11.574 ( -2.252 -6.967 2.753) 7.822 11.790 ( -4.987 -2.898 2.500) 6.287 12.357 ( 0.280 -3.443 -9.554) 10.159 12.538 ( -10.896 7.712 2.842) 13.648 13.122 ( 4.540 6.397 -0.937) 7.900 13.815 ( 4.614 8.931 5.062) 11.255 14.313 ( 1.433 13.671 -0.352) 13.750 14.525 ( -1.612 2.381 0.827) 2.992 14.854 ( 5.523 -10.398 0.622) 11.790 15.334 ( -0.600 1.126 -2.162) 2.510 16.792 ( -6.195 -19.081 -1.944) 20.156 17.177 ( 2.742 -25.089 1.876) 25.308 17.393 ( -13.958 4.154 6.564) 15.974 17.881 ( -9.514 12.293 -24.004) 28.598 20.248 ( 6.146 4.648 -0.327) 7.713 21.183 ( 3.093 12.547 -2.770) 13.216 23.387 ( -5.070 1.358 2.749) 5.925 23.780 ( 8.211 8.438 12.139) 16.911 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -9.293 -16.071 8.211) 20.299 2.116 ( -20.201 -15.492 5.478) 26.040 2.572 ( 1.013 -3.299 -7.709) 8.447 2.751 ( 3.604 1.969 -6.550) 7.731 3.049 ( 2.601 3.184 2.044) 4.591 3.125 ( -13.330 0.180 -7.615) 15.352 3.157 ( 6.032 -4.928 -4.274) 8.884 3.381 ( 3.492 1.870 1.800) 4.351 3.414 ( 6.666 3.382 -2.449) 7.866 3.483 ( -0.135 1.115 3.143) 3.337 3.531 ( 1.311 5.321 5.843) 8.011 3.978 ( -10.498 -2.294 7.188) 12.928 3.984 ( -0.523 4.188 -0.126) 4.222 4.069 ( 2.323 3.573 -1.583) 4.547 4.290 ( 2.486 0.720 -1.061) 2.797 4.541 ( 1.849 -13.166 3.530) 13.755 4.633 ( -9.699 -5.144 3.533) 11.533 4.902 ( -2.221 -6.625 -5.591) 8.949 5.044 ( 0.031 -6.338 -3.167) 7.086 5.148 ( 3.563 -2.931 -0.797) 4.682 5.451 ( 0.192 -1.615 3.222) 3.610 5.589 ( -3.617 4.607 -1.609) 6.074 5.721 ( -6.840 4.471 2.974) 8.696 5.846 ( 2.390 7.142 0.154) 7.533 6.191 ( -1.848 -3.383 -6.870) 7.878 6.239 ( -0.976 -5.295 1.449) 5.576 6.958 ( 4.434 -2.452 6.487) 8.231 7.055 ( -2.879 -8.021 1.472) 8.648 7.121 ( 4.496 -7.364 2.227) 8.911 7.131 ( 0.369 -4.294 -6.696) 7.963 7.504 ( -4.484 -12.936 -1.676) 13.793 7.906 ( 7.376 -2.841 3.690) 8.724 8.563 ( -2.035 -2.341 10.782) 11.220 9.088 ( -1.640 -0.037 -7.397) 7.576 9.240 ( -10.375 -3.464 -3.467) 11.475 9.494 ( 14.111 5.953 3.066) 15.619 9.770 ( 0.020 -6.445 -6.117) 8.886 9.976 ( 7.256 -12.091 -0.429) 14.108 10.071 ( -4.933 -3.703 -3.658) 7.171 10.382 ( 11.075 -12.042 -3.531) 16.738 10.754 ( 8.342 -0.863 -0.548) 8.404 11.510 ( -5.878 -8.457 -1.503) 10.408 11.669 ( -4.032 -7.403 2.407) 8.767 11.866 ( 0.214 -4.412 8.886) 9.924 12.233 ( -9.929 4.710 0.064) 10.989 12.516 ( -0.158 -6.494 -5.551) 8.544 13.060 ( 5.587 3.913 -2.487) 7.260 13.725 ( 5.628 8.017 5.340) 11.156 14.072 ( 0.412 13.798 -0.084) 13.805 14.387 ( 0.266 12.902 2.838) 13.214 15.123 ( 6.100 -15.784 -0.647) 16.934 15.432 ( 4.625 -9.661 -1.781) 10.858 16.749 ( -16.561 9.655 -2.974) 19.399 17.082 ( -26.768 15.793 -2.007) 31.144 17.543 ( 0.458 -20.781 7.000) 21.933 18.012 ( 18.765 -19.835 -18.505) 32.984 20.187 ( 3.791 6.459 -0.139) 7.491 20.950 ( 1.164 14.736 -4.162) 15.357 23.341 ( -3.762 0.553 3.178) 4.956 23.703 ( 4.282 8.434 10.376) 14.041 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -23.653 -0.000 14.260) 27.619 1.518 ( -19.899 -0.000 17.941) 26.793 2.503 ( -23.562 -0.000 1.844) 23.635 2.738 ( -0.887 -0.000 -11.404) 11.439 2.938 ( 9.498 0.000 -10.709) 14.315 3.126 ( -18.070 -0.000 2.478) 18.239 3.227 ( 8.483 0.000 -2.608) 8.875 3.323 ( 6.758 0.000 -3.804) 7.755 3.415 ( -1.922 -0.000 6.609) 6.883 3.491 ( 4.232 0.000 1.112) 4.376 3.856 ( 1.627 0.000 -0.132) 1.632 3.898 ( 4.288 0.000 6.047) 7.413 4.038 ( -5.760 -0.000 1.015) 5.849 4.145 ( -2.563 -0.000 -1.944) 3.217 4.171 ( 7.755 0.000 1.043) 7.825 4.382 ( -3.518 -0.000 6.237) 7.161 4.658 ( -4.539 -0.000 2.382) 5.126 4.690 ( 1.609 0.000 -5.910) 6.125 4.984 ( 1.850 0.000 -7.323) 7.553 5.018 ( -6.641 -0.000 -0.636) 6.672 5.386 ( 1.144 0.000 1.757) 2.097 5.612 ( -5.831 -0.000 -1.755) 6.090 5.732 ( 1.428 0.000 -1.912) 2.387 5.897 ( 3.225 0.000 -3.115) 4.484 6.102 ( 8.251 0.000 -1.207) 8.339 6.155 ( 4.937 0.000 11.740) 12.735 6.256 ( -6.405 -0.000 3.031) 7.086 6.767 ( 2.403 0.000 -4.321) 4.944 6.790 ( -0.100 -0.000 0.516) 0.525 7.199 ( -5.781 -0.000 -1.268) 5.919 7.308 ( 7.710 0.000 -8.893) 11.770 7.818 ( 2.645 0.000 6.134) 6.680 8.310 ( 0.003 0.000 4.062) 4.062 8.618 ( -0.112 -0.000 1.845) 1.848 9.228 ( -0.152 -0.000 -9.300) 9.302 9.439 ( 5.367 0.000 3.195) 6.246 9.514 ( 7.523 0.000 -2.974) 8.089 9.953 ( 7.615 0.000 2.067) 7.890 10.119 ( 10.579 0.000 -6.752) 12.550 10.355 ( -1.658 -0.000 1.501) 2.237 10.720 ( -1.823 -0.000 -1.880) 2.619 10.768 ( 9.928 0.000 7.689) 12.558 11.423 ( -3.325 -0.000 4.256) 5.400 11.613 ( -11.115 -0.000 -13.409) 17.417 12.248 ( -14.333 -0.000 -12.843) 19.245 12.748 ( -5.520 -0.000 5.512) 7.801 13.256 ( 2.629 0.000 0.593) 2.695 14.062 ( 4.308 0.000 4.518) 6.243 14.405 ( -4.296 -0.000 0.276) 4.305 14.603 ( 2.423 0.000 -0.030) 2.424 14.674 ( 6.317 0.000 -4.218) 7.596 15.553 ( -5.238 -0.000 -0.119) 5.239 16.244 ( 1.943 0.000 -1.265) 2.319 16.432 ( -0.072 -0.000 1.005) 1.007 17.546 ( -17.684 -0.000 6.463) 18.828 18.189 ( -21.709 -0.000 -20.533) 29.881 20.336 ( 8.913 0.000 -0.411) 8.923 21.426 ( 4.204 0.000 -2.795) 5.049 23.417 ( -6.072 -0.000 2.290) 6.489 23.983 ( 15.791 0.000 14.314) 21.313 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -17.271 -5.277 18.269) 25.688 1.574 ( -21.689 -14.932 13.074) 29.399 2.360 ( -20.779 -6.405 0.538) 21.750 2.737 ( -5.757 -4.885 -10.086) 12.599 2.954 ( 10.629 2.796 -6.279) 12.658 2.990 ( -19.572 -2.248 1.033) 19.728 3.236 ( 1.967 4.108 1.286) 4.733 3.364 ( 10.176 1.222 -6.576) 12.177 3.519 ( 2.791 -5.378 5.147) 7.950 3.540 ( 3.058 -2.022 1.046) 3.812 3.804 ( -2.318 5.196 -1.975) 6.022 3.857 ( -0.142 5.722 5.476) 7.921 4.072 ( 0.573 -3.798 3.836) 5.429 4.149 ( 1.630 0.347 -2.625) 3.110 4.264 ( 7.540 -2.364 1.382) 8.022 4.328 ( -2.328 1.539 8.097) 8.564 4.516 ( -5.394 3.117 -5.119) 8.063 4.806 ( -4.760 -5.630 -9.418) 11.960 4.945 ( 5.731 2.417 -0.076) 6.221 4.997 ( -4.113 -1.568 -1.821) 4.764 5.393 ( 1.248 0.004 4.154) 4.337 5.635 ( -5.232 -5.188 -2.860) 7.903 5.778 ( -1.397 -2.729 0.520) 3.110 5.939 ( 0.301 -4.582 -3.095) 5.538 6.083 ( -4.245 3.293 -2.844) 6.079 6.177 ( 2.665 3.982 2.487) 5.398 6.364 ( 6.460 -13.949 7.284) 17.011 6.836 ( -0.633 -5.690 3.128) 6.524 6.851 ( 3.467 -6.421 -1.730) 7.499 7.193 ( -5.860 -4.672 -1.130) 7.579 7.293 ( 5.840 5.818 -7.277) 10.996 7.860 ( 4.307 -0.109 6.808) 8.057 8.402 ( 2.534 -6.444 1.921) 7.186 8.761 ( 2.119 -14.411 1.026) 14.602 9.206 ( -1.783 -0.566 -9.977) 10.150 9.522 ( 6.972 -4.058 0.090) 8.068 9.571 ( 5.090 -1.400 0.154) 5.281 9.994 ( 3.315 5.565 -0.675) 6.513 10.060 ( 2.154 11.272 3.391) 11.967 10.245 ( 2.703 3.649 -8.292) 9.454 10.736 ( 3.892 -2.010 1.051) 4.505 10.936 ( 0.452 -11.791 -4.263) 12.546 11.452 ( -2.876 -4.964 3.808) 6.885 11.637 ( -7.399 -11.733 -5.449) 14.903 12.150 ( -13.608 -7.475 -14.282) 21.095 12.641 ( -7.275 8.184 5.313) 12.171 13.241 ( 2.475 3.912 0.086) 4.629 14.047 ( 10.187 8.951 8.899) 16.220 14.433 ( -3.519 -5.679 0.689) 6.716 14.556 ( 2.769 9.666 -3.303) 10.584 14.761 ( 6.650 -6.812 1.384) 9.620 15.399 ( -5.796 8.404 -1.543) 10.325 16.425 ( -0.357 -17.053 -0.648) 17.069 16.715 ( 3.508 -27.057 -3.912) 27.562 17.385 ( -15.375 4.415 8.799) 18.257 17.880 ( -24.223 7.422 -18.548) 31.399 20.376 ( 8.103 3.221 -0.464) 8.732 21.379 ( 2.717 7.691 -3.670) 8.945 23.371 ( -5.001 0.738 2.223) 5.522 24.063 ( 15.213 9.286 13.986) 22.655 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -10.797 -13.034 15.933) 23.245 1.689 ( -22.415 -15.786 9.793) 29.112 2.415 ( -6.044 -10.446 -9.218) 15.186 2.789 ( 1.076 -2.988 -7.683) 8.314 2.913 ( -18.853 -9.812 8.240) 22.795 3.019 ( 3.638 -3.023 -6.516) 8.052 3.171 ( 2.874 3.700 0.933) 4.777 3.391 ( 8.268 1.836 -3.118) 9.025 3.549 ( 5.857 4.212 -1.610) 7.392 3.590 ( -0.834 4.195 1.211) 4.446 3.667 ( -1.089 5.366 2.125) 5.874 3.813 ( -2.343 -1.428 7.584) 8.065 4.087 ( -1.870 4.408 -0.781) 4.852 4.131 ( 0.688 1.031 3.213) 3.444 4.351 ( 4.815 -3.066 1.181) 5.829 4.398 ( 3.941 -1.883 0.643) 4.415 4.469 ( -7.557 -5.983 -2.083) 9.861 4.784 ( -3.368 -2.292 -11.299) 12.011 4.965 ( 1.040 -0.980 -1.055) 1.776 5.058 ( -0.713 -7.379 -1.250) 7.518 5.420 ( -1.449 -1.016 4.871) 5.182 5.623 ( -2.823 1.541 -0.328) 3.233 5.752 ( -7.683 3.641 3.568) 9.221 5.955 ( -0.827 1.447 1.185) 2.045 6.072 ( -0.014 -5.494 -10.577) 11.919 6.166 ( 0.934 -0.707 0.919) 1.489 6.735 ( 3.834 -20.365 3.766) 21.062 6.942 ( 0.075 -4.939 5.231) 7.195 7.010 ( 1.080 -7.193 3.712) 8.166 7.207 ( 2.308 4.262 -2.870) 5.633 7.268 ( -2.080 -8.606 -4.357) 9.868 7.929 ( 6.112 -1.673 5.606) 8.461 8.520 ( 0.427 -4.015 4.207) 5.831 8.989 ( -2.430 -7.360 -3.284) 8.418 9.168 ( -3.491 0.771 -7.401) 8.220 9.612 ( 2.668 -3.474 -5.813) 7.278 9.699 ( 2.637 -0.773 3.143) 4.175 9.820 ( 5.047 -5.222 1.792) 7.480 10.040 ( 1.284 0.604 0.453) 1.489 10.299 ( 9.336 -5.146 -8.841) 13.849 10.803 ( 5.782 -0.951 1.811) 6.133 11.205 ( -2.127 -19.520 -5.205) 20.313 11.537 ( -3.817 -5.413 2.203) 6.980 11.748 ( -2.044 -6.851 4.344) 8.366 12.268 ( -4.363 -15.773 -14.534) 21.888 12.383 ( -10.394 14.178 4.853) 18.238 13.175 ( 2.784 5.308 -1.081) 6.091 13.964 ( 9.118 11.681 9.277) 17.482 14.348 ( 3.121 14.794 -0.472) 15.127 14.505 ( -0.554 -1.168 1.723) 2.154 14.957 ( 6.167 -8.443 1.764) 10.604 15.301 ( -1.743 -4.479 -3.234) 5.793 16.670 ( -7.929 -7.493 -0.677) 10.931 17.016 ( -19.537 -2.822 -2.417) 19.887 17.279 ( -8.415 -4.425 -1.200) 9.583 17.757 ( 9.160 -18.131 -14.342) 24.866 20.346 ( 6.149 6.620 -0.043) 9.036 21.193 ( -0.364 13.343 -3.940) 13.917 23.329 ( -3.774 0.650 2.487) 4.566 23.974 ( 8.332 14.014 13.180) 20.965 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -19.818 -0.000 18.500) 27.111 1.297 ( -20.457 -0.000 19.958) 28.580 2.103 ( -27.652 -0.000 16.608) 32.257 2.615 ( -4.573 -0.000 -18.181) 18.748 2.797 ( -19.976 -0.000 -2.683) 20.156 3.082 ( 11.053 0.000 -7.208) 13.195 3.305 ( 1.778 0.000 3.593) 4.009 3.390 ( -3.586 -0.000 3.982) 5.359 3.462 ( 11.559 0.000 -5.641) 12.862 3.613 ( 8.723 0.000 -0.383) 8.731 3.813 ( -3.695 -0.000 -4.105) 5.523 4.004 ( 0.127 0.000 4.475) 4.477 4.008 ( 5.388 0.000 8.069) 9.703 4.154 ( 0.125 0.000 -4.097) 4.099 4.291 ( -7.293 -0.000 0.738) 7.330 4.311 ( 8.479 0.000 1.966) 8.704 4.594 ( -4.362 -0.000 1.541) 4.626 4.666 ( 2.266 0.000 -7.621) 7.951 4.912 ( -6.447 -0.000 0.093) 6.448 5.067 ( 8.497 0.000 -2.201) 8.778 5.433 ( 3.025 0.000 4.904) 5.762 5.511 ( -4.505 -0.000 -5.426) 7.052 5.726 ( -0.514 -0.000 -4.325) 4.355 5.887 ( -2.895 -0.000 2.883) 4.086 6.074 ( -6.531 -0.000 -7.177) 9.704 6.279 ( 5.358 0.000 0.775) 5.413 6.284 ( 4.960 0.000 8.576) 9.907 6.771 ( -1.356 -0.000 6.421) 6.563 6.805 ( 1.865 0.000 -0.989) 2.111 7.101 ( -7.043 -0.000 2.296) 7.408 7.411 ( 9.194 0.000 -8.519) 12.534 7.914 ( 5.455 0.000 7.438) 9.223 8.357 ( 5.476 0.000 -3.344) 6.416 8.634 ( 0.521 0.000 2.562) 2.615 9.161 ( -2.143 -0.000 -11.289) 11.490 9.527 ( 4.407 0.000 0.225) 4.413 9.597 ( 3.838 0.000 -0.520) 3.873 10.014 ( 1.179 0.000 -1.131) 1.634 10.288 ( 10.766 0.000 -11.089) 15.456 10.348 ( -0.374 -0.000 2.340) 2.369 10.678 ( -2.172 -0.000 -2.375) 3.219 10.796 ( -18.211 -0.000 -24.315) 30.378 11.314 ( -11.720 -0.000 6.315) 13.314 11.394 ( -2.648 -0.000 4.130) 4.905 11.957 ( -10.769 -0.000 -7.690) 13.232 12.674 ( -7.310 -0.000 4.842) 8.768 13.291 ( 1.475 0.000 0.260) 1.497 14.296 ( 21.075 0.000 14.058) 25.334 14.338 ( -4.127 -0.000 0.141) 4.129 14.640 ( 2.145 0.000 0.099) 2.147 14.776 ( 9.510 0.000 -3.296) 10.065 15.435 ( -9.332 -0.000 -1.900) 9.523 16.268 ( 1.663 0.000 -1.226) 2.066 16.437 ( 0.129 0.000 1.028) 1.036 17.332 ( -12.802 -0.000 9.292) 15.818 17.674 ( -33.170 -0.000 -12.745) 35.535 20.470 ( 8.020 0.000 -0.360) 8.028 21.456 ( 1.378 0.000 -5.555) 5.723 23.345 ( -4.338 -0.000 2.066) 4.805 24.340 ( 21.022 0.000 11.062) 23.755 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -14.531 -8.601 20.664) 26.686 1.283 ( -20.663 -13.602 15.661) 29.278 2.095 ( -14.446 -14.210 15.545) 25.540 2.598 ( -6.393 -7.581 -7.229) 12.272 2.671 ( -16.004 -3.302 -9.107) 18.707 3.098 ( 10.300 3.778 -6.072) 12.540 3.265 ( 0.228 4.557 1.216) 4.722 3.450 ( -1.035 -4.344 0.464) 4.490 3.542 ( 6.422 -0.589 -1.223) 6.564 3.650 ( 2.283 2.112 -3.151) 4.428 3.760 ( 4.233 3.546 -3.162) 6.364 3.924 ( 2.828 6.358 4.975) 8.554 4.088 ( -4.595 0.027 3.884) 6.016 4.145 ( 0.480 -1.129 1.674) 2.076 4.282 ( -4.287 -4.884 -5.821) 8.725 4.379 ( 3.232 0.621 6.023) 6.864 4.478 ( 4.549 4.915 -2.291) 7.078 4.722 ( 1.721 -0.459 -7.172) 7.389 4.907 ( -4.875 -4.976 0.334) 6.974 5.041 ( 3.188 5.432 -1.493) 6.473 5.426 ( -0.472 1.570 1.778) 2.418 5.562 ( -0.840 -5.671 -2.614) 6.300 5.737 ( -5.411 -0.089 2.238) 5.856 5.906 ( -2.141 -3.785 2.330) 4.933 5.976 ( -3.086 0.019 -8.871) 9.393 6.253 ( 4.391 5.129 -0.001) 6.752 6.480 ( 3.974 -13.178 5.051) 14.662 6.848 ( 0.183 -6.330 7.023) 9.457 6.894 ( 1.222 -7.383 3.153) 8.120 7.086 ( -7.434 -4.403 2.247) 8.927 7.361 ( 4.709 7.718 -6.107) 10.910 7.976 ( 6.178 0.017 6.347) 8.858 8.455 ( 4.299 -4.979 -3.924) 7.659 8.806 ( 3.418 -13.314 -0.155) 13.746 9.121 ( -3.049 -0.553 -10.308) 10.764 9.600 ( 1.973 0.312 -2.556) 3.244 9.624 ( 2.071 -5.212 -0.286) 5.616 9.882 ( -16.755 11.221 -9.044) 22.101 10.078 ( -0.687 1.841 5.427) 5.771 10.321 ( 9.943 1.373 -9.883) 14.086 10.754 ( -0.921 -9.593 -1.536) 9.759 10.837 ( -8.373 -16.938 -12.744) 22.790 11.428 ( -2.176 -4.525 3.392) 6.059 11.536 ( -2.207 -18.309 3.868) 18.842 11.934 ( -3.925 -7.089 -6.843) 10.606 12.539 ( -8.364 9.356 4.601) 13.367 13.268 ( 1.098 3.528 -0.160) 3.698 14.300 ( 6.352 9.081 9.075) 14.323 14.427 ( 9.434 -0.452 2.406) 9.746 14.605 ( 4.726 9.204 -0.363) 10.353 14.897 ( 10.589 -5.944 3.535) 12.647 15.271 ( -8.840 5.403 -1.297) 10.442 16.422 ( 0.190 -14.108 0.173) 14.111 16.704 ( -1.470 -19.641 -8.757) 21.555 17.204 ( -17.205 4.689 -7.394) 19.304 17.465 ( -12.918 -11.039 6.097) 18.053 20.493 ( 6.775 4.052 0.228) 7.897 21.367 ( -1.948 8.325 -5.786) 10.324 23.315 ( -3.293 0.401 2.181) 3.970 24.364 ( 14.135 15.914 10.000) 23.517 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -21.232 -0.000 18.375) 28.080 1.048 ( -11.741 -0.000 22.839) 25.680 1.919 ( -11.467 -0.000 40.499) 42.091 2.458 ( -3.550 -0.000 -20.500) 20.805 2.504 ( -11.548 -0.000 -11.725) 16.457 3.211 ( 8.798 0.000 -6.181) 10.752 3.322 ( -2.100 -0.000 5.053) 5.472 3.340 ( -4.148 -0.000 0.546) 4.184 3.605 ( 9.828 0.000 -6.798) 11.950 3.655 ( -3.451 -0.000 -2.739) 4.406 3.835 ( 9.312 0.000 -3.461) 9.935 3.971 ( -7.862 -0.000 1.758) 8.056 4.100 ( -2.758 -0.000 -0.255) 2.770 4.136 ( 5.385 0.000 9.966) 11.327 4.174 ( -3.898 -0.000 -16.522) 16.976 4.413 ( 0.862 0.000 3.879) 3.974 4.562 ( 1.645 0.000 -1.769) 2.416 4.821 ( -5.412 -0.000 1.796) 5.702 4.823 ( 18.210 0.000 1.321) 18.258 5.128 ( -1.206 -0.000 0.160) 1.217 5.431 ( -1.423 -0.000 -8.345) 8.465 5.514 ( 2.956 0.000 4.195) 5.132 5.681 ( -2.062 -0.000 -5.626) 5.992 5.820 ( -11.903 -0.000 -2.914) 12.255 5.996 ( 7.806 0.000 2.437) 8.178 6.360 ( 4.114 0.000 1.456) 4.364 6.376 ( 2.727 0.000 5.582) 6.213 6.813 ( 2.599 0.000 7.427) 7.869 6.831 ( 0.921 0.000 2.744) 2.894 6.992 ( -9.690 -0.000 7.449) 12.222 7.467 ( 0.552 0.000 -7.695) 7.715 8.050 ( 7.538 0.000 4.759) 8.914 8.432 ( 6.633 0.000 -8.860) 11.067 8.656 ( 1.525 0.000 1.483) 2.127 9.068 ( -3.022 -0.000 -10.664) 11.084 9.505 ( -21.675 -0.000 -17.898) 28.109 9.636 ( 1.397 0.000 0.444) 1.466 9.731 ( -35.326 -0.000 -6.812) 35.977 10.072 ( -3.265 -0.000 -0.909) 3.389 10.363 ( 0.605 0.000 3.020) 3.080 10.516 ( 4.785 0.000 -10.584) 11.615 10.631 ( -2.250 -0.000 -2.540) 3.393 11.381 ( -1.382 -0.000 3.972) 4.205 11.411 ( 6.618 0.000 14.480) 15.921 11.899 ( 4.983 0.000 -2.297) 5.487 12.570 ( -7.908 -0.000 4.553) 9.125 13.306 ( 0.453 0.000 -0.018) 0.453 14.284 ( -2.580 -0.000 0.017) 2.580 14.668 ( 1.252 0.000 0.143) 1.260 14.709 ( 13.579 0.000 6.101) 14.887 15.057 ( 29.133 0.000 3.870) 29.389 15.278 ( -3.263 -0.000 0.063) 3.264 16.283 ( 0.918 0.000 -1.289) 1.583 16.445 ( 0.189 0.000 1.133) 1.148 17.000 ( -35.244 -0.000 -12.361) 37.348 17.338 ( -1.390 -0.000 18.973) 19.024 20.583 ( 6.208 0.000 1.041) 6.294 21.402 ( -4.613 -0.000 -7.374) 8.698 23.301 ( -2.430 -0.000 2.125) 3.229 24.663 ( 13.116 0.000 0.610) 13.130 ======================= Grid point 305 (142/172) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.000 -0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 2.059 ( -0.000 -0.000 0.000) 0.000 2.159 ( -0.000 -0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.246 ( -0.000 -0.000 0.000) 0.000 3.377 ( -0.000 -0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.883 ( -0.000 -0.000 0.000) 0.000 3.931 ( 0.000 0.000 -0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.394 ( -0.000 -0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.043 ( -0.000 -0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.570 ( -0.000 -0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.612 ( -0.000 -0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.478 ( -0.000 -0.000 0.000) 0.000 6.543 ( -0.000 -0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.971 ( -0.000 -0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.352 ( -0.000 -0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.887 ( -0.000 -0.000 0.000) 0.000 8.895 ( -0.000 -0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.401 ( -0.000 -0.000 0.000) 0.000 10.431 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 11.421 ( -0.000 -0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.555 ( -0.000 -0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.788 ( -0.000 -0.000 0.000) 0.000 15.192 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 16.273 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.490 ( -0.000 -0.000 0.000) 0.000 17.624 ( 0.000 0.000 0.000) 0.000 20.687 ( -0.000 -0.000 0.000) 0.000 21.220 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 10.017 -8.317 -5.801) 14.254 1.572 ( 3.601 -20.578 -5.551) 21.616 1.982 ( -1.894 5.893 5.643) 8.376 2.228 ( 5.935 -5.488 4.119) 9.072 2.832 ( 6.387 -14.957 -12.649) 20.604 3.128 ( -8.975 2.086 4.198) 10.126 3.250 ( 7.644 3.184 -3.163) 8.864 3.380 ( -3.289 -1.421 4.450) 5.714 3.522 ( 1.177 1.137 1.817) 2.446 3.620 ( 1.034 -1.927 -2.731) 3.498 3.789 ( 3.278 -5.661 8.073) 10.391 3.829 ( -9.411 -1.162 3.604) 10.145 3.973 ( 7.962 1.802 -3.943) 9.065 4.057 ( -0.119 2.296 1.021) 2.515 4.337 ( -5.922 1.035 -2.964) 6.702 4.451 ( 4.498 3.893 2.851) 6.596 4.534 ( -1.573 -3.349 -2.171) 4.290 4.800 ( -7.338 16.440 0.610) 18.014 4.861 ( 1.541 -4.856 0.184) 5.098 5.012 ( -1.172 2.840 1.247) 3.316 5.328 ( 2.535 -1.475 0.802) 3.041 5.562 ( -1.375 -0.751 -0.065) 1.568 5.685 ( 7.623 -2.973 -1.417) 8.304 5.712 ( -0.261 -8.774 3.250) 9.360 6.116 ( -3.135 2.367 -3.907) 5.541 6.352 ( -2.080 12.772 -1.608) 13.040 6.582 ( 0.870 -10.338 -1.155) 10.439 6.919 ( -3.039 -11.824 1.374) 12.286 7.000 ( -2.903 -3.884 1.050) 4.961 7.098 ( 2.701 -1.944 -1.569) 3.679 7.280 ( -2.423 2.432 3.034) 4.581 8.131 ( -3.191 2.484 0.542) 4.080 8.430 ( 2.750 -7.479 -2.625) 8.389 8.843 ( -1.886 -3.788 -0.429) 4.253 8.913 ( 3.542 -2.929 0.565) 4.631 9.213 ( 8.367 -28.779 6.584) 30.685 9.588 ( 0.219 6.604 -0.514) 6.627 9.746 ( 1.513 -3.697 -0.991) 4.116 10.105 ( 0.811 -6.692 -0.008) 6.741 10.373 ( -4.578 0.509 -0.952) 4.703 10.605 ( 1.113 -19.724 1.054) 19.784 10.685 ( 1.755 -11.701 1.037) 11.877 11.449 ( 0.461 -2.801 -0.106) 2.841 11.660 ( 0.968 -6.190 -1.786) 6.515 11.945 ( -3.568 -0.093 -1.611) 3.916 12.487 ( 4.521 9.605 -0.120) 10.617 13.273 ( -0.185 3.727 0.064) 3.732 14.326 ( 1.361 -5.981 0.094) 6.134 14.544 ( -2.793 16.534 1.416) 16.828 14.759 ( -3.251 1.118 -0.267) 3.449 15.148 ( 2.208 5.119 -1.203) 5.703 15.322 ( -18.009 8.823 -2.124) 20.166 16.441 ( -0.001 -15.143 0.154) 15.143 16.501 ( 7.746 -1.583 2.370) 8.254 16.665 ( 13.074 -4.332 -0.077) 13.773 17.751 ( 3.966 -13.311 -8.310) 16.185 20.622 ( -4.048 5.060 -1.438) 6.638 21.177 ( 2.350 6.628 3.365) 7.796 23.312 ( 0.805 0.148 -0.016) 0.818 24.552 ( -5.376 13.278 2.144) 14.484 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 14.447 -13.521 -8.992) 21.735 1.886 ( 1.280 -7.512 -15.198) 17.002 2.047 ( 3.418 -17.728 12.851) 22.161 2.439 ( 11.763 -8.655 4.702) 15.342 2.925 ( -7.906 3.459 0.188) 8.631 3.110 ( 0.061 -2.054 -2.039) 2.895 3.261 ( 4.903 1.424 -4.565) 6.849 3.354 ( -5.876 1.873 6.639) 9.061 3.560 ( 1.426 -1.098 -4.700) 5.032 3.627 ( -0.212 -4.623 -2.612) 5.314 3.819 ( -3.272 -2.571 -3.804) 5.638 3.909 ( 0.361 4.707 -1.762) 5.039 3.978 ( 1.074 0.289 8.655) 8.727 4.063 ( 5.070 -7.533 9.682) 13.274 4.262 ( -2.555 3.256 -5.023) 6.508 4.398 ( 2.106 5.972 5.739) 8.546 4.535 ( -4.047 2.339 -3.668) 5.942 4.592 ( 0.771 -2.200 -0.669) 2.426 4.984 ( 0.767 -6.161 -0.368) 6.220 4.990 ( -0.090 -2.562 1.124) 2.799 5.373 ( 4.897 0.127 1.546) 5.136 5.573 ( 0.388 0.520 1.643) 1.766 5.769 ( 7.696 0.531 -4.234) 8.800 5.870 ( -0.585 -8.509 3.665) 9.283 6.041 ( -4.957 2.684 -3.285) 6.525 6.188 ( 2.859 3.748 -1.407) 4.920 6.793 ( 0.389 -11.814 0.090) 11.821 7.018 ( -7.298 -2.721 6.602) 10.210 7.143 ( -3.520 -13.643 -1.763) 14.199 7.177 ( 4.153 -3.326 -3.107) 6.161 7.253 ( -3.999 -5.256 0.107) 6.605 8.063 ( -5.202 1.501 2.892) 6.138 8.588 ( 5.779 -6.403 -5.674) 10.325 8.857 ( 4.714 1.105 0.876) 4.920 9.024 ( 0.285 -5.757 0.648) 5.800 9.494 ( -0.065 1.816 4.165) 4.544 9.647 ( 2.888 -13.304 3.583) 14.078 9.816 ( -2.058 -4.502 -1.116) 5.075 10.271 ( -4.747 -11.106 2.481) 12.330 10.306 ( -7.883 -0.951 -5.018) 9.393 10.894 ( -1.926 -9.111 -0.654) 9.336 11.040 ( 0.973 -21.575 3.484) 21.876 11.517 ( 3.219 -3.512 -0.808) 4.832 11.823 ( 0.311 -11.701 -1.882) 11.855 12.021 ( 0.640 -12.294 2.406) 12.544 12.314 ( 8.730 14.420 -2.127) 16.990 13.186 ( -1.103 5.395 0.350) 5.518 14.168 ( -3.907 20.164 2.642) 20.708 14.414 ( 1.237 2.346 -2.995) 4.000 14.627 ( -9.128 5.703 -1.781) 10.909 15.091 ( -0.040 -0.266 -2.560) 2.574 15.248 ( -9.275 -11.052 2.540) 14.650 16.501 ( 14.546 6.068 2.683) 15.987 16.695 ( 15.066 11.031 -1.568) 18.738 16.923 ( 1.367 -30.171 4.357) 30.514 18.029 ( -1.644 -17.538 -11.701) 21.147 20.462 ( -5.542 8.020 -1.577) 9.875 21.039 ( 2.899 12.459 4.532) 13.571 23.319 ( 1.470 0.057 -0.008) 1.472 24.230 ( -6.961 16.682 1.452) 18.134 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 8.964 -12.963 -10.610) 18.999 2.053 ( 8.434 -13.062 -5.227) 16.403 2.418 ( 3.629 -16.164 1.467) 16.632 2.692 ( 9.636 -7.414 0.985) 12.198 2.798 ( -4.592 2.357 2.194) 5.609 3.090 ( -1.666 3.214 4.515) 5.787 3.168 ( -4.566 5.395 -1.150) 7.161 3.297 ( -1.656 3.443 5.965) 7.083 3.459 ( -3.132 6.690 0.402) 7.398 3.703 ( -4.321 5.185 -2.971) 7.374 3.758 ( -5.310 -2.666 -7.988) 9.956 3.881 ( -2.288 7.585 6.141) 10.024 3.958 ( 4.441 0.619 -0.495) 4.512 4.172 ( 2.782 4.736 -3.376) 6.447 4.242 ( 2.622 -7.907 -3.169) 8.913 4.492 ( 6.227 -12.971 11.816) 18.618 4.605 ( 1.477 -10.268 -2.361) 10.639 4.685 ( 4.157 -6.568 -1.538) 7.924 5.046 ( -0.724 -4.973 -1.688) 5.302 5.096 ( 0.416 -3.447 2.889) 4.517 5.413 ( 6.755 1.409 2.863) 7.471 5.532 ( -3.440 3.021 3.208) 5.591 5.756 ( 6.842 5.102 -7.156) 11.138 5.911 ( -3.276 5.587 -0.661) 6.511 6.026 ( 1.857 -6.802 1.324) 7.174 6.238 ( 2.907 -3.778 -1.178) 4.910 6.931 ( -2.424 -3.046 8.809) 9.631 7.041 ( -1.720 -3.642 -0.209) 4.033 7.179 ( -2.063 -1.125 -3.303) 4.054 7.312 ( -6.816 -9.364 -1.804) 11.721 7.470 ( 2.006 -16.640 -3.194) 17.062 8.021 ( -5.781 -0.617 4.631) 7.433 8.698 ( 7.809 -2.325 -7.067) 10.785 8.891 ( 2.918 0.066 4.540) 5.398 9.095 ( 0.243 -3.025 -1.005) 3.197 9.561 ( 3.212 -6.334 5.155) 8.775 9.745 ( -5.440 1.020 -0.830) 5.596 9.922 ( 2.585 -6.695 -0.768) 7.218 10.209 ( -10.005 -1.714 -4.531) 11.116 10.482 ( -7.934 -14.606 1.516) 16.691 10.913 ( -9.441 -1.940 -2.323) 9.914 11.344 ( 5.030 -11.495 4.973) 13.497 11.606 ( 8.014 -0.104 -0.518) 8.031 12.032 ( 0.600 8.578 -0.257) 8.603 12.081 ( 1.489 -14.177 0.509) 14.264 12.397 ( 5.697 -13.614 -0.912) 14.786 13.091 ( -3.530 2.610 0.574) 4.428 13.855 ( -2.074 13.612 2.745) 14.040 14.160 ( -6.425 17.915 -3.669) 19.382 14.475 ( -1.562 10.283 -2.048) 10.601 15.205 ( -4.756 -14.485 -0.659) 15.260 15.455 ( -7.354 -17.035 3.214) 18.831 16.481 ( 16.005 12.057 -1.397) 20.087 16.595 ( 22.145 14.170 2.711) 26.430 17.487 ( 1.127 -30.282 4.222) 30.595 18.233 ( -9.007 -13.308 -10.135) 18.999 20.270 ( -4.553 8.404 -1.423) 9.664 20.825 ( 2.372 14.967 4.273) 15.745 23.335 ( 1.920 -0.419 0.015) 1.966 23.918 ( -5.842 12.914 0.342) 14.178 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 3.830 -12.648 -7.435) 15.163 2.381 ( 11.510 -13.220 -4.877) 18.195 2.584 ( -2.103 -2.356 0.689) 3.233 2.721 ( -1.022 1.726 -2.559) 3.252 2.888 ( 9.705 -0.615 2.101) 9.949 3.014 ( -6.695 2.017 1.122) 7.082 3.130 ( -3.266 -6.438 5.640) 9.161 3.218 ( -1.047 4.421 1.482) 4.779 3.351 ( -2.838 2.331 1.452) 3.949 3.580 ( -2.351 6.702 -4.195) 8.248 3.620 ( -2.834 8.700 5.273) 10.561 3.784 ( -0.965 3.935 0.330) 4.065 3.858 ( -3.351 6.260 2.165) 7.424 4.140 ( 3.166 0.831 -3.072) 4.489 4.488 ( 3.840 -12.608 -6.849) 14.853 4.699 ( 5.723 -4.342 -0.057) 7.184 4.864 ( 3.488 -9.854 3.868) 11.146 4.910 ( 5.117 -17.490 -2.710) 18.423 5.099 ( -1.506 -0.234 2.555) 2.975 5.128 ( -1.878 -1.595 2.098) 3.236 5.382 ( -1.423 6.614 6.499) 9.381 5.482 ( 1.126 1.267 0.109) 1.699 5.686 ( 4.470 6.299 -4.924) 9.160 5.820 ( -0.956 1.952 -2.741) 3.498 6.138 ( 2.156 -3.867 0.206) 4.432 6.296 ( 0.947 -0.905 0.313) 1.347 6.965 ( -1.054 -1.381 8.397) 8.575 7.059 ( -1.711 0.410 -3.094) 3.560 7.182 ( -0.299 -1.167 -0.718) 1.402 7.384 ( -5.618 -5.244 -2.870) 8.204 7.753 ( 3.349 -12.792 -3.416) 13.657 8.004 ( -5.378 -0.804 4.300) 6.933 8.776 ( 5.055 -2.090 -4.994) 7.407 8.911 ( 1.641 0.429 3.731) 4.099 9.168 ( 5.741 -3.389 2.350) 7.068 9.580 ( -13.743 6.673 -3.677) 15.714 9.734 ( 1.560 -7.689 4.695) 9.143 9.993 ( 3.164 -0.075 -3.808) 4.952 10.238 ( 0.337 -6.261 -3.855) 7.360 10.548 ( -9.313 1.060 3.242) 9.918 10.993 ( -10.014 -18.427 -1.757) 21.046 11.521 ( 10.456 9.847 6.031) 15.578 11.594 ( 7.553 -0.702 -2.735) 8.063 11.911 ( -1.288 1.367 0.411) 1.922 12.411 ( 2.064 -17.310 0.485) 17.440 12.559 ( 1.086 -2.134 -1.327) 2.737 13.084 ( -6.593 -6.588 -0.357) 9.328 13.626 ( -3.533 14.239 0.542) 14.681 13.842 ( 0.229 10.011 1.701) 10.157 14.236 ( -1.582 13.284 -3.555) 13.842 15.443 ( -6.616 -16.290 1.876) 17.682 15.658 ( -7.436 -10.111 -0.308) 12.555 16.369 ( 13.699 11.211 1.302) 17.750 16.568 ( 19.190 9.703 -0.227) 21.504 17.950 ( 1.310 -19.487 3.665) 19.872 18.310 ( -10.158 -6.781 -6.592) 13.879 20.116 ( -2.054 5.375 -1.217) 5.881 20.609 ( 1.301 11.283 2.960) 11.737 23.364 ( 1.890 -1.046 0.035) 2.160 23.703 ( -3.792 7.299 -0.050) 8.226 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.593 ( -0.000 0.000 -0.000) 0.000 2.771 ( 0.000 -0.000 -0.000) 0.000 2.811 ( -0.000 0.000 0.000) 0.000 2.993 ( -0.000 0.000 -0.000) 0.000 3.174 ( -0.000 0.000 0.000) 0.000 3.282 ( -0.000 -0.000 0.000) 0.000 3.327 ( -0.000 0.000 0.000) 0.000 3.397 ( -0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 -0.000) 0.000 3.741 ( -0.000 0.000 0.000) 0.000 3.781 ( -0.000 0.000 0.000) 0.000 4.148 ( -0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.757 ( -0.000 -0.000 -0.000) 0.000 5.030 ( 0.000 -0.000 -0.000) 0.000 5.041 ( -0.000 0.000 0.000) 0.000 5.118 ( -0.000 -0.000 0.000) 0.000 5.183 ( 0.000 -0.000 -0.000) 0.000 5.252 ( -0.000 0.000 0.000) 0.000 5.485 ( -0.000 -0.000 0.000) 0.000 5.621 ( -0.000 0.000 0.000) 0.000 5.802 ( -0.000 0.000 0.000) 0.000 6.184 ( -0.000 0.000 0.000) 0.000 6.303 ( -0.000 0.000 0.000) 0.000 7.008 ( -0.000 0.000 -0.000) 0.000 7.011 ( 0.000 -0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.402 ( -0.000 0.000 0.000) 0.000 7.897 ( 0.000 -0.000 -0.000) 0.000 7.979 ( -0.000 0.000 0.000) 0.000 8.810 ( -0.000 0.000 0.000) 0.000 8.920 ( 0.000 0.000 0.000) 0.000 9.325 ( -0.000 0.000 -0.000) 0.000 9.346 ( 0.000 -0.000 0.000) 0.000 9.823 ( -0.000 0.000 0.000) 0.000 9.999 ( -0.000 0.000 0.000) 0.000 10.333 ( 0.000 -0.000 -0.000) 0.000 10.449 ( -0.000 0.000 0.000) 0.000 11.272 ( -0.000 -0.000 -0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.680 ( -0.000 0.000 0.000) 0.000 11.907 ( -0.000 0.000 0.000) 0.000 12.529 ( -0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.404 ( -0.000 -0.000 0.000) 0.000 13.809 ( -0.000 0.000 0.000) 0.000 14.072 ( -0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 -0.000) 0.000 15.655 ( -0.000 -0.000 0.000) 0.000 16.339 ( -0.000 0.000 0.000) 0.000 16.552 ( -0.000 0.000 0.000) 0.000 18.152 ( -0.000 0.000 0.000) 0.000 18.302 ( 0.000 0.000 0.000) 0.000 20.059 ( -0.000 0.000 0.000) 0.000 20.511 ( -0.000 0.000 0.000) 0.000 23.386 ( -0.000 0.000 0.000) 0.000 23.619 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 19.570 0.000 -10.533) 22.225 1.403 ( 8.125 0.000 -8.046) 11.435 2.113 ( 4.081 0.000 8.939) 9.827 2.163 ( -1.744 -0.000 8.852) 9.022 2.747 ( 19.355 0.000 -26.035) 32.441 3.094 ( -8.302 -0.000 5.429) 9.919 3.334 ( -7.023 -0.000 6.099) 9.302 3.352 ( 8.498 0.000 -0.784) 8.534 3.552 ( 1.174 0.000 5.313) 5.441 3.587 ( 1.257 0.000 -7.238) 7.347 3.746 ( -10.511 -0.000 5.293) 11.769 3.808 ( 7.556 0.000 13.626) 15.581 4.051 ( 7.182 0.000 -2.935) 7.759 4.085 ( 0.735 0.000 0.020) 0.735 4.274 ( -8.020 -0.000 -3.052) 8.581 4.462 ( -7.202 -0.000 0.318) 7.210 4.535 ( 6.671 0.000 -0.133) 6.672 4.839 ( 3.748 0.000 -0.023) 3.748 4.861 ( -14.017 -0.000 -1.152) 14.065 5.063 ( -5.036 -0.000 5.964) 7.806 5.326 ( 3.038 0.000 1.780) 3.521 5.551 ( -1.967 -0.000 -0.360) 2.000 5.600 ( 2.731 0.000 1.948) 3.354 5.759 ( 11.669 0.000 1.463) 11.761 6.095 ( -5.317 -0.000 -6.977) 8.772 6.448 ( -7.264 -0.000 -4.257) 8.420 6.477 ( 0.645 0.000 -4.133) 4.183 6.778 ( -4.426 -0.000 4.044) 5.996 6.931 ( -3.793 -0.000 -1.001) 3.923 7.096 ( 2.162 0.000 -0.543) 2.229 7.310 ( -4.082 -0.000 7.808) 8.811 8.131 ( -3.426 -0.000 -2.681) 4.350 8.349 ( 0.325 0.000 -1.280) 1.320 8.698 ( 1.929 0.000 -3.141) 3.686 8.900 ( 0.756 0.000 4.957) 5.015 9.184 ( 23.999 0.000 10.302) 26.116 9.647 ( -1.276 -0.000 -0.584) 1.403 9.765 ( 10.546 0.000 -1.802) 10.698 10.062 ( 2.004 0.000 0.197) 2.014 10.360 ( -5.308 -0.000 3.067) 6.130 10.413 ( -1.380 -0.000 -1.322) 1.911 10.584 ( 2.350 0.000 1.596) 2.841 11.424 ( 0.426 0.000 -0.165) 0.457 11.612 ( 1.778 0.000 -5.630) 5.904 11.901 ( -5.373 -0.000 -3.032) 6.170 12.616 ( 6.389 0.000 0.022) 6.389 13.306 ( -0.274 -0.000 -0.010) 0.274 14.284 ( 2.610 0.000 0.043) 2.611 14.671 ( -1.221 -0.000 -0.081) 1.224 14.739 ( -6.166 -0.000 3.734) 7.208 15.100 ( -29.515 -0.000 -2.690) 29.637 15.337 ( 0.386 0.000 -4.904) 4.919 16.269 ( -0.505 -0.000 0.023) 0.506 16.457 ( -0.544 -0.000 -0.058) 0.547 16.855 ( 30.823 0.000 2.675) 30.939 17.686 ( 12.956 0.000 -16.433) 20.926 20.617 ( -7.121 -0.000 -2.177) 7.447 21.270 ( 3.252 0.000 5.918) 6.753 23.323 ( 1.656 0.000 0.025) 1.656 24.615 ( -11.737 -0.000 4.798) 12.680 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 22.069 -6.458 -11.788) 25.840 1.631 ( 9.595 -16.055 -14.634) 23.748 2.028 ( 3.620 4.464 12.144) 13.435 2.380 ( 7.893 -11.122 9.216) 16.460 2.879 ( 0.927 -2.178 -8.468) 8.792 3.053 ( 5.556 -2.111 -9.202) 10.955 3.309 ( -7.196 -1.895 7.213) 10.363 3.340 ( 3.623 5.405 -3.550) 7.413 3.565 ( 1.307 0.547 2.627) 2.985 3.626 ( 1.034 -0.155 -0.169) 1.059 3.713 ( -3.447 -4.669 -2.690) 6.397 3.954 ( 8.393 -4.585 16.592) 19.151 4.019 ( -0.443 6.463 -3.578) 7.401 4.071 ( 0.458 0.485 4.773) 4.820 4.239 ( -4.681 -1.511 -1.674) 5.196 4.431 ( -6.819 -2.678 -0.054) 7.326 4.544 ( 2.108 3.902 -4.526) 6.337 4.661 ( -5.970 7.982 0.698) 9.992 4.908 ( 4.006 -3.753 0.324) 5.499 4.980 ( -3.989 2.372 3.494) 5.809 5.405 ( 5.888 -2.425 1.894) 6.644 5.549 ( -0.126 -2.953 -0.339) 2.975 5.724 ( -0.679 -7.854 5.321) 9.511 5.847 ( 12.003 0.670 -1.810) 12.158 6.020 ( -4.326 1.274 -5.902) 7.427 6.298 ( -3.108 7.155 -2.902) 8.323 6.576 ( -0.665 -10.622 -4.335) 11.492 6.844 ( -8.767 -9.823 7.046) 14.933 6.946 ( -3.085 -4.760 -1.092) 5.777 7.143 ( 3.412 -3.479 -2.140) 5.322 7.230 ( -5.948 4.322 5.645) 9.270 8.065 ( -4.284 2.624 -2.010) 5.411 8.455 ( 2.031 -9.305 -3.557) 10.166 8.831 ( -0.381 -9.999 -3.120) 10.481 8.957 ( 2.162 -3.227 4.498) 5.943 9.417 ( 4.312 -7.979 14.504) 17.107 9.603 ( 1.837 2.858 -0.613) 3.452 9.813 ( 8.804 4.159 -0.173) 9.738 10.118 ( -0.768 -4.227 2.042) 4.756 10.248 ( -8.279 3.218 -3.174) 9.432 10.661 ( 4.803 -21.200 4.094) 22.120 10.726 ( 1.660 -10.515 1.842) 10.804 11.463 ( 1.370 -3.762 -0.112) 4.005 11.669 ( 2.139 -7.123 -6.173) 9.665 11.890 ( 0.877 -3.500 -1.760) 4.015 12.590 ( 7.582 8.808 -0.549) 11.635 13.266 ( -0.930 4.030 0.100) 4.137 14.367 ( 3.274 -5.577 0.807) 6.517 14.460 ( -9.882 17.104 0.636) 19.764 14.648 ( -9.450 6.043 -4.126) 11.951 14.927 ( -17.518 -8.585 -0.923) 19.530 15.273 ( 7.385 8.802 -0.973) 11.531 16.433 ( -0.365 -16.830 -0.679) 16.848 16.587 ( 2.601 -12.497 3.639) 13.273 17.029 ( 24.875 7.197 4.133) 26.224 17.813 ( 13.141 -5.802 -21.219) 25.624 20.512 ( -7.947 4.210 -1.675) 9.148 21.245 ( 2.374 7.021 6.225) 9.679 23.337 ( 2.380 0.249 0.124) 2.396 24.411 ( -13.793 11.317 3.692) 18.220 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 13.192 -7.313 -15.570) 21.678 1.916 ( 14.347 -11.949 -11.900) 22.141 2.193 ( 7.566 -12.821 11.733) 18.954 2.654 ( 8.485 -7.937 4.697) 12.533 2.798 ( -6.332 1.266 6.823) 9.394 3.122 ( 2.275 1.115 -3.932) 4.678 3.225 ( -6.668 5.288 1.284) 8.607 3.333 ( -0.082 -0.548 0.583) 0.804 3.555 ( -4.913 3.872 1.769) 6.501 3.603 ( 4.663 -2.223 -8.872) 10.266 3.756 ( -3.957 3.165 -4.573) 6.826 3.946 ( 8.793 -3.139 -4.865) 10.528 4.004 ( -1.570 4.075 6.745) 8.035 4.163 ( -2.481 -1.179 -0.297) 2.763 4.257 ( 4.543 -2.807 9.720) 11.091 4.413 ( -1.927 -1.625 4.891) 5.503 4.476 ( -1.021 -3.510 -3.716) 5.213 4.635 ( 4.972 -2.253 -0.173) 5.461 4.953 ( -2.118 -2.854 0.079) 3.555 5.035 ( 3.024 -4.886 0.753) 5.795 5.475 ( 5.964 -1.009 0.255) 6.054 5.582 ( 0.207 2.413 2.218) 3.284 5.859 ( 1.798 3.951 -6.648) 7.940 5.887 ( 0.506 -10.318 6.942) 12.446 5.987 ( 2.690 3.245 -1.210) 4.385 6.214 ( 1.989 -0.638 -3.288) 3.895 6.784 ( -1.788 -13.557 -0.067) 13.675 6.924 ( -9.107 -6.338 7.460) 13.370 7.068 ( -4.280 -11.614 -2.380) 12.604 7.132 ( -7.399 1.020 2.541) 7.889 7.272 ( 6.374 -7.270 -3.874) 10.416 7.988 ( -5.155 1.323 0.244) 5.327 8.625 ( 2.390 -8.230 -4.794) 9.820 8.929 ( 1.091 -1.456 1.529) 2.377 9.069 ( 6.046 -4.449 1.026) 7.576 9.508 ( -1.690 -2.637 5.214) 6.082 9.731 ( 3.307 -12.529 5.765) 14.183 9.762 ( -2.817 3.954 -1.124) 4.983 10.097 ( -12.283 0.449 -2.266) 12.498 10.227 ( -2.774 -7.299 -2.319) 8.145 10.821 ( -6.804 -1.984 -1.054) 7.165 11.092 ( 2.983 -21.478 5.566) 22.387 11.567 ( 2.844 -5.913 -0.391) 6.573 11.832 ( 2.669 -9.549 -3.890) 10.650 12.079 ( 4.609 -11.869 5.103) 13.717 12.457 ( 10.217 11.953 -2.733) 15.961 13.159 ( -2.652 6.383 0.524) 6.932 14.074 ( -9.136 15.389 -0.183) 17.897 14.364 ( -5.104 12.376 -3.679) 13.883 14.535 ( 0.212 -2.893 -1.062) 3.089 14.990 ( -8.750 -7.787 -1.134) 11.768 15.231 ( 2.333 -2.277 3.188) 4.560 16.676 ( 8.801 -5.541 -1.170) 10.466 16.987 ( 2.619 -25.875 10.575) 28.075 17.036 ( 23.200 11.461 1.987) 25.953 17.944 ( 1.376 -7.520 -20.654) 22.023 20.355 ( -6.789 6.407 -1.053) 9.394 21.097 ( 0.979 12.725 5.257) 13.803 23.353 ( 2.811 0.300 0.209) 2.835 24.089 ( -11.200 13.352 1.033) 17.458 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.478 -9.865 -11.393) 16.824 2.251 ( 18.030 -12.879 -7.413) 23.364 2.466 ( 0.307 -9.142 2.994) 9.624 2.680 ( -3.254 -2.554 -0.287) 4.146 2.952 ( 12.454 -4.868 8.047) 15.606 3.063 ( -5.186 7.189 0.474) 8.877 3.080 ( -2.987 1.690 3.251) 4.727 3.295 ( -3.178 3.166 5.525) 7.117 3.410 ( -3.321 7.967 0.547) 8.649 3.615 ( -4.696 5.055 -3.837) 7.895 3.649 ( -3.070 -2.197 -7.291) 8.211 3.888 ( -0.473 6.586 6.445) 9.227 4.018 ( 1.779 9.206 1.745) 9.537 4.168 ( 2.510 0.486 -8.344) 8.727 4.299 ( 4.374 -9.298 -1.627) 10.404 4.614 ( 1.665 -11.919 -4.512) 12.853 4.659 ( 7.174 -13.498 11.006) 18.836 4.761 ( 6.497 -6.724 -1.863) 9.534 5.009 ( -3.123 -5.113 1.432) 6.160 5.105 ( -1.023 -1.471 2.107) 2.766 5.480 ( -4.700 4.943 1.756) 7.043 5.558 ( 9.348 1.624 1.455) 9.599 5.765 ( -3.681 2.966 -3.212) 5.716 5.892 ( 2.102 7.574 -1.468) 7.996 6.082 ( 3.736 -7.009 2.157) 8.230 6.284 ( 4.056 -2.526 -2.592) 5.436 6.920 ( -4.083 -4.571 10.004) 11.732 7.020 ( -3.525 -2.871 0.517) 4.575 7.121 ( -1.020 -7.340 -1.597) 7.581 7.198 ( -5.552 -8.638 -3.933) 10.996 7.494 ( 2.789 -14.585 -2.002) 14.984 7.947 ( -5.209 -1.093 0.580) 5.354 8.739 ( 1.538 -4.411 -4.717) 6.638 8.940 ( -0.369 0.791 5.429) 5.499 9.198 ( 12.494 -2.592 0.270) 12.763 9.562 ( -10.959 1.200 -3.620) 11.604 9.650 ( 1.326 -1.695 4.582) 5.062 9.989 ( 2.660 -3.183 1.544) 4.426 10.051 ( -5.333 -12.322 -4.733) 14.237 10.354 ( -8.549 -11.660 0.402) 14.464 10.752 ( -9.686 -1.020 -1.667) 9.881 11.449 ( 5.270 -13.515 5.246) 15.426 11.693 ( 3.291 -5.028 -0.106) 6.010 12.008 ( -0.770 -2.856 -4.720) 5.571 12.169 ( 5.940 -1.917 5.114) 8.069 12.484 ( 6.053 -5.908 -1.748) 8.637 13.023 ( -5.510 4.715 1.032) 7.325 13.793 ( -6.220 10.578 -0.509) 12.282 14.070 ( -2.377 15.068 -0.700) 15.271 14.455 ( -0.270 11.743 -3.371) 12.220 15.114 ( -6.028 -14.268 0.206) 15.491 15.378 ( -4.590 -12.142 3.230) 13.377 16.735 ( 17.367 11.086 -1.865) 20.688 16.973 ( 20.338 13.911 8.153) 25.954 17.541 ( 3.550 -28.432 4.029) 28.935 18.018 ( -10.140 -10.906 -15.131) 21.230 20.196 ( -4.028 6.199 -1.080) 7.472 20.862 ( -0.281 15.065 4.157) 15.631 23.373 ( 2.841 -0.013 0.204) 2.848 23.811 ( -7.514 9.796 -0.198) 12.348 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 5.907 -11.153 -6.073) 14.006 2.503 ( 0.025 -3.107 1.092) 3.293 2.589 ( 8.484 -6.604 -6.303) 12.463 2.706 ( 0.798 -0.010 -1.075) 1.339 2.905 ( -5.814 6.789 1.551) 9.072 3.073 ( 8.792 3.588 5.462) 10.955 3.112 ( -1.997 -8.485 4.504) 9.812 3.216 ( -0.371 4.904 2.448) 5.494 3.296 ( -4.463 -0.030 1.221) 4.627 3.504 ( -3.965 2.900 -5.037) 7.036 3.617 ( 1.077 2.151 -0.090) 2.407 3.775 ( -0.342 9.473 1.259) 9.563 3.868 ( 2.293 5.600 3.634) 7.058 4.144 ( -0.128 0.600 -4.207) 4.251 4.509 ( 1.547 -9.221 -4.848) 10.532 4.784 ( 4.319 -3.575 0.645) 5.644 4.927 ( 0.159 -9.572 6.238) 11.426 4.949 ( 2.993 -8.692 -8.049) 12.218 5.093 ( 0.152 -2.963 5.223) 6.007 5.099 ( -2.464 -3.770 2.554) 5.178 5.354 ( -3.434 5.111 1.330) 6.300 5.534 ( 2.795 5.723 -0.134) 6.370 5.700 ( -0.416 5.630 0.662) 5.684 5.792 ( -0.823 1.576 -3.176) 3.640 6.194 ( 4.073 -2.081 -0.222) 4.579 6.315 ( 1.715 0.979 -0.137) 1.979 6.973 ( -6.517 -1.703 -0.632) 6.766 7.002 ( 1.452 -1.730 5.333) 5.792 7.201 ( 1.089 -0.618 -2.519) 2.813 7.333 ( 1.431 -8.275 1.096) 8.469 7.761 ( -1.563 -13.353 0.603) 13.457 7.941 ( -2.912 -2.375 -2.699) 4.626 8.789 ( -0.210 -1.980 -3.446) 3.980 8.933 ( -1.204 1.090 6.281) 6.488 9.343 ( -8.334 6.188 -6.808) 12.413 9.377 ( 13.883 -3.439 2.831) 14.580 9.783 ( 1.997 -5.485 4.004) 7.078 9.981 ( -3.046 -0.687 -2.978) 4.314 10.269 ( 4.653 -8.240 -3.334) 10.033 10.417 ( -9.277 -2.790 4.713) 10.773 10.816 ( -10.547 -17.001 -3.556) 20.320 11.659 ( 4.878 -4.472 3.785) 7.624 11.707 ( 6.957 12.617 -0.896) 14.436 11.894 ( -0.979 1.888 0.661) 2.227 12.471 ( 4.021 -16.007 1.585) 16.580 12.552 ( 0.171 -0.793 -3.027) 3.134 12.975 ( -7.246 -6.221 0.586) 9.568 13.568 ( -2.762 11.358 -0.529) 11.701 13.877 ( 2.465 6.408 2.944) 7.470 14.193 ( -1.935 13.693 -4.403) 14.513 15.351 ( -5.727 -17.208 1.508) 18.199 15.541 ( -7.142 -10.622 0.193) 12.801 16.586 ( 12.156 18.113 2.180) 21.923 16.848 ( 15.137 19.236 1.452) 24.520 17.987 ( 0.924 -17.597 -1.261) 17.667 18.139 ( -6.118 -14.466 -3.958) 16.197 20.088 ( -0.885 3.368 -1.135) 3.663 20.620 ( -1.477 11.724 2.719) 12.125 23.394 ( 1.820 0.172 0.086) 1.830 23.641 ( -3.740 4.084 -0.276) 5.545 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 1.571 4.077 2.441) 5.005 2.510 ( -1.065 6.228 2.936) 6.968 2.569 ( -2.069 -3.192 -1.249) 4.004 2.703 ( -1.968 4.673 -2.314) 5.573 2.851 ( -0.114 -1.175 0.225) 1.202 3.056 ( 5.533 1.039 2.559) 6.184 3.166 ( -0.572 0.407 0.169) 0.722 3.286 ( 0.161 -1.883 -0.584) 1.978 3.328 ( 0.171 -7.007 -0.012) 7.009 3.412 ( 2.870 3.522 -3.685) 5.849 3.571 ( -1.611 0.131 2.847) 3.274 3.714 ( 3.442 -2.776 -4.893) 6.595 3.864 ( 6.006 0.234 1.908) 6.307 4.111 ( -4.341 0.749 -0.413) 4.425 4.577 ( -5.173 -0.305 -0.607) 5.217 4.781 ( 1.211 6.453 5.540) 8.591 4.967 ( -5.289 4.251 0.227) 6.789 5.048 ( 1.268 -2.240 -4.296) 5.009 5.089 ( -2.819 -3.498 -0.088) 4.494 5.161 ( -2.491 6.862 3.228) 7.982 5.318 ( 6.210 -2.048 -4.701) 8.053 5.489 ( 1.496 0.663 -3.161) 3.559 5.588 ( -4.895 1.625 5.879) 7.821 5.788 ( -1.483 -1.665 0.106) 2.232 6.212 ( 3.244 3.481 -1.010) 4.864 6.298 ( -0.778 0.657 0.606) 1.185 6.941 ( -4.086 -1.043 -3.574) 5.528 7.073 ( 4.233 -1.271 1.983) 4.844 7.200 ( 0.660 0.304 -0.120) 0.736 7.460 ( 5.363 -2.193 3.761) 6.908 7.833 ( -7.242 0.762 2.541) 7.713 8.008 ( 3.827 -4.309 -5.579) 8.021 8.781 ( -3.833 1.705 1.643) 4.506 8.892 ( -3.613 1.516 0.229) 3.925 9.195 ( -1.332 2.946 -3.343) 4.651 9.596 ( 15.166 -5.158 1.845) 16.125 9.825 ( 1.003 3.359 -2.631) 4.383 9.963 ( -4.285 -1.129 3.838) 5.863 10.298 ( -3.592 1.510 3.567) 5.282 10.514 ( 6.752 -7.755 -2.125) 10.500 11.063 ( -14.024 -21.378 -4.140) 25.901 11.436 ( 7.822 21.462 -0.396) 22.847 11.673 ( -1.403 5.727 2.685) 6.479 11.910 ( 0.344 -1.087 0.199) 1.157 12.501 ( -2.106 -1.008 -1.740) 2.912 12.654 ( 1.052 5.133 1.138) 5.362 13.151 ( 0.096 -13.288 -0.572) 13.301 13.438 ( 3.149 -0.657 2.182) 3.887 13.796 ( -0.895 6.204 -2.216) 6.648 14.081 ( 0.941 -5.173 0.602) 5.292 15.606 ( -1.819 -10.485 -0.520) 10.655 15.624 ( -3.487 -7.428 0.079) 8.206 16.339 ( -0.618 15.064 2.536) 15.288 16.564 ( 1.358 19.330 -0.644) 19.388 18.112 ( -1.694 0.351 -4.288) 4.624 18.375 ( 5.683 -8.478 2.981) 10.633 20.068 ( 1.153 -1.431 -0.091) 1.840 20.489 ( -2.527 0.798 0.086) 2.651 23.379 ( -0.763 1.901 -0.045) 2.048 23.626 ( 0.709 -3.545 -0.056) 3.616 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -3.252 15.520 6.508) 17.140 2.264 ( -4.156 15.364 1.497) 15.986 2.582 ( -2.486 4.863 0.017) 5.462 2.751 ( 0.310 -0.713 3.843) 3.921 2.782 ( -1.912 -0.350 -1.738) 2.608 3.075 ( 1.758 4.959 -0.842) 5.329 3.154 ( 1.648 0.660 -3.189) 3.650 3.245 ( 2.884 -2.029 -2.073) 4.090 3.376 ( 1.370 -5.040 -0.913) 5.303 3.608 ( 0.679 -11.695 0.311) 11.719 3.663 ( 4.364 -9.249 -3.246) 10.730 3.824 ( 5.112 -5.699 -1.158) 7.743 3.933 ( 5.550 -0.762 0.414) 5.617 4.063 ( -7.626 -1.822 1.378) 7.961 4.440 ( -6.356 10.673 4.088) 13.078 4.641 ( -2.003 10.164 6.137) 12.041 4.785 ( -2.750 10.809 -8.083) 13.775 4.854 ( -2.967 16.421 1.720) 16.775 5.095 ( 0.692 -0.901 -5.661) 5.774 5.127 ( -2.410 1.678 4.473) 5.351 5.347 ( -1.260 -0.245 -3.628) 3.848 5.514 ( 4.778 -2.168 -4.814) 7.121 5.623 ( -6.016 -5.826 6.956) 10.887 5.834 ( -0.366 -4.617 1.482) 4.863 6.128 ( 0.469 6.676 0.146) 6.694 6.280 ( -0.837 1.775 -0.278) 1.982 6.929 ( -1.496 -1.127 -4.751) 5.107 7.105 ( 4.751 1.542 -1.418) 5.192 7.206 ( -0.384 0.294 3.805) 3.835 7.498 ( 6.403 4.570 3.090) 8.452 7.693 ( -5.307 9.613 1.316) 11.059 8.063 ( 4.589 0.037 -5.099) 6.861 8.678 ( -8.531 3.497 5.557) 10.765 8.872 ( 0.018 -0.635 -4.543) 4.587 9.164 ( 2.736 2.473 1.205) 3.880 9.653 ( -1.982 7.697 -5.091) 9.439 9.781 ( 5.052 -0.182 0.698) 5.103 9.964 ( -1.430 0.621 4.842) 5.087 10.295 ( 4.760 -0.181 3.423) 5.866 10.681 ( 9.149 -1.798 -1.641) 9.467 11.126 ( 4.268 14.340 0.624) 14.974 11.297 ( -11.866 -14.316 -5.328) 19.343 11.504 ( -5.211 8.381 2.078) 10.085 11.927 ( 0.833 -1.098 -0.107) 1.382 12.403 ( 0.952 16.606 -0.492) 16.640 12.531 ( -2.691 2.970 0.955) 4.120 13.180 ( 4.947 7.984 0.845) 9.430 13.640 ( -0.673 -11.203 -2.325) 11.461 13.863 ( 2.427 -18.644 0.322) 18.805 14.281 ( 2.334 -12.998 2.134) 13.377 15.531 ( 5.116 13.842 -1.656) 14.850 15.773 ( 6.921 4.963 0.351) 8.524 16.164 ( -11.355 -5.115 -0.252) 12.456 16.288 ( -14.834 2.673 0.928) 15.102 17.925 ( 0.036 19.420 -2.963) 19.645 18.476 ( 6.919 3.757 3.931) 8.800 20.161 ( 2.669 -7.122 1.065) 7.680 20.559 ( -2.984 -10.823 -2.236) 11.447 23.339 ( -1.189 1.446 -0.003) 1.872 23.753 ( 2.345 -9.357 -0.083) 9.647 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -5.559 18.068 4.400) 19.409 2.027 ( 0.393 9.931 1.691) 10.081 2.354 ( -3.359 16.303 0.664) 16.658 2.563 ( -3.808 15.020 -1.682) 15.587 2.881 ( 3.646 -6.390 0.769) 7.398 3.086 ( 0.225 -3.767 -3.011) 4.827 3.194 ( -0.729 -2.993 1.000) 3.238 3.312 ( 1.887 -4.449 -2.498) 5.440 3.507 ( 2.378 -6.675 0.091) 7.086 3.773 ( 2.971 -6.108 2.062) 7.099 3.828 ( -0.925 0.524 0.735) 1.292 3.906 ( 2.756 0.733 0.407) 2.881 3.935 ( 1.778 1.628 0.260) 2.425 4.095 ( -4.139 -4.109 -2.783) 6.462 4.231 ( -3.289 3.202 5.093) 6.856 4.383 ( -1.556 13.847 -5.635) 15.031 4.609 ( 1.741 6.378 -0.463) 6.628 4.642 ( -2.490 5.496 1.068) 6.127 5.049 ( 0.005 4.276 -0.514) 4.307 5.073 ( -1.575 3.786 0.591) 4.143 5.332 ( -2.201 -0.615 -1.225) 2.593 5.562 ( 1.856 -0.406 -2.565) 3.192 5.688 ( -3.834 -4.559 3.862) 7.099 5.944 ( 0.656 -5.719 -0.224) 5.761 6.018 ( 0.494 4.636 0.346) 4.675 6.206 ( -1.377 5.223 0.328) 5.412 6.915 ( -0.452 2.456 -2.013) 3.207 7.102 ( 6.393 2.494 -5.397) 8.730 7.181 ( -4.218 1.813 6.258) 7.761 7.408 ( 4.332 10.883 0.127) 11.715 7.453 ( -1.742 13.730 1.322) 13.903 8.080 ( 3.498 0.069 -3.427) 4.898 8.591 ( -6.384 0.976 4.326) 7.773 8.859 ( 0.342 1.939 -2.638) 3.292 9.126 ( 1.448 4.807 1.908) 5.371 9.496 ( -1.901 4.698 -2.789) 5.785 9.768 ( -0.367 4.153 -0.732) 4.233 9.921 ( 0.323 4.352 1.353) 4.569 10.361 ( 5.444 -0.669 2.079) 5.865 10.575 ( 3.997 16.704 -1.091) 17.210 11.068 ( 8.156 5.116 3.564) 10.266 11.239 ( -5.722 5.749 -4.837) 9.444 11.480 ( -6.002 -5.585 0.466) 8.212 12.008 ( -0.592 -9.232 -1.249) 9.335 12.097 ( 0.923 17.512 1.426) 17.594 12.327 ( -2.830 18.341 0.238) 18.559 13.128 ( 1.331 -0.684 -0.175) 1.507 13.856 ( 0.095 -16.023 -1.541) 16.098 14.243 ( 1.853 -17.514 1.610) 17.685 14.528 ( 2.947 -11.901 0.836) 12.289 15.257 ( 1.426 17.140 0.453) 17.206 15.574 ( 7.382 18.159 -1.385) 19.651 16.210 ( -14.114 -9.799 -0.590) 17.192 16.375 ( -5.928 -16.729 0.670) 17.760 17.463 ( -0.239 31.190 -1.714) 31.238 18.369 ( 3.660 14.249 3.591) 15.143 20.338 ( 2.620 -9.751 0.958) 10.142 20.768 ( -2.095 -14.810 -2.135) 15.110 23.314 ( -0.685 0.540 0.020) 0.872 23.982 ( 2.203 -14.781 -0.255) 14.946 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.000 15.347 0.000) 15.347 1.936 ( -0.000 1.110 0.000) 1.110 1.980 ( 0.000 24.387 -0.000) 24.387 2.317 ( 0.000 9.599 0.000) 9.599 2.993 ( -0.000 -1.439 0.000) 1.439 3.143 ( 0.000 -2.840 0.000) 2.840 3.193 ( -0.000 2.936 0.000) 2.936 3.392 ( 0.000 -2.294 0.000) 2.294 3.566 ( 0.000 7.080 -0.000) 7.080 3.631 ( -0.000 2.009 0.000) 2.009 3.884 ( 0.000 3.407 0.000) 3.407 3.891 ( 0.000 1.291 -0.000) 1.291 3.926 ( -0.000 1.823 0.000) 1.823 4.011 ( 0.000 -0.148 0.000) 0.148 4.311 ( -0.000 -7.699 -0.000) 7.699 4.341 ( 0.000 -3.432 0.000) 3.432 4.584 ( 0.000 -6.416 0.000) 6.416 4.595 ( 0.000 2.141 -0.000) 2.141 4.967 ( -0.000 7.070 0.000) 7.070 4.998 ( 0.000 0.933 -0.000) 0.933 5.328 ( 0.000 0.031 0.000) 0.031 5.562 ( 0.000 -0.116 0.000) 0.116 5.714 ( -0.000 1.140 0.000) 1.140 5.868 ( -0.000 8.351 0.000) 8.351 6.122 ( -0.000 2.150 -0.000) 2.150 6.139 ( 0.000 -11.133 0.000) 11.133 6.786 ( -0.000 11.377 0.000) 11.377 7.087 ( -0.000 3.493 0.000) 3.493 7.120 ( 0.000 2.756 -0.000) 2.756 7.179 ( 0.000 15.030 0.000) 15.030 7.291 ( 0.000 4.143 0.000) 4.143 8.105 ( 0.000 -1.695 0.000) 1.695 8.536 ( -0.000 4.455 0.000) 4.455 8.822 ( -0.000 0.172 0.000) 0.172 9.022 ( -0.000 7.480 0.000) 7.480 9.484 ( 0.000 -3.877 0.000) 3.877 9.616 ( -0.000 14.713 0.000) 14.713 9.834 ( 0.000 5.800 0.000) 5.800 10.298 ( 0.000 15.015 0.000) 15.015 10.392 ( -0.000 -0.004 0.000) 0.004 10.904 ( 0.000 13.451 0.000) 13.451 11.026 ( 0.000 22.332 0.000) 22.332 11.492 ( 0.000 1.492 0.000) 1.492 11.828 ( 0.000 13.127 0.000) 13.127 12.018 ( 0.000 9.980 0.000) 9.980 12.239 ( -0.000 -15.410 0.000) 15.410 13.193 ( 0.000 -4.991 0.000) 4.991 14.191 ( 0.000 -21.876 0.000) 21.876 14.405 ( 0.000 0.327 0.000) 0.327 14.717 ( -0.000 -6.925 0.000) 6.925 15.079 ( 0.000 1.760 0.000) 1.760 15.367 ( -0.000 7.251 0.000) 7.251 16.319 ( 0.000 -8.950 0.000) 8.950 16.597 ( 0.000 -9.451 0.000) 9.451 16.903 ( 0.000 30.884 0.000) 30.884 18.073 ( 0.000 20.617 0.000) 20.617 20.516 ( -0.000 -8.726 0.000) 8.726 20.997 ( 0.000 -12.197 0.000) 12.197 23.307 ( 0.000 0.006 0.000) 0.006 24.283 ( -0.000 -17.948 0.000) 17.948 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 15.300 0.000 -12.060) 19.482 1.644 ( 23.692 0.000 -15.227) 28.164 2.224 ( 7.097 0.000 5.640) 9.065 2.255 ( 6.597 0.000 14.211) 15.667 2.860 ( -3.833 -0.000 -0.543) 3.872 3.100 ( 16.483 0.000 -16.412) 23.261 3.218 ( -11.925 -0.000 9.197) 15.060 3.470 ( 8.119 0.000 -4.320) 9.197 3.557 ( 0.102 0.000 -11.564) 11.564 3.566 ( -5.906 -0.000 3.528) 6.880 3.686 ( 3.043 0.000 6.941) 7.579 4.034 ( 7.230 0.000 13.112) 14.973 4.087 ( 1.517 0.000 5.429) 5.637 4.112 ( 3.472 0.000 0.529) 3.512 4.135 ( -7.484 -0.000 -4.095) 8.531 4.318 ( -10.789 -0.000 1.495) 10.892 4.628 ( 5.510 0.000 -1.551) 5.724 4.662 ( -9.202 -0.000 -2.063) 9.431 4.918 ( 6.161 0.000 -0.377) 6.173 4.977 ( -7.568 -0.000 5.587) 9.407 5.414 ( 6.161 0.000 4.050) 7.373 5.518 ( -1.907 -0.000 -2.478) 3.127 5.656 ( 2.817 0.000 2.088) 3.506 5.939 ( 4.698 0.000 -2.034) 5.119 5.998 ( 1.547 0.000 -1.135) 1.919 6.328 ( -5.803 -0.000 -3.164) 6.610 6.447 ( -1.007 -0.000 -8.230) 8.292 6.705 ( -8.908 -0.000 9.861) 13.289 6.870 ( -2.571 -0.000 -2.376) 3.501 7.134 ( 3.463 0.000 -1.505) 3.776 7.238 ( -8.582 -0.000 8.016) 11.743 8.051 ( -4.185 -0.000 -5.949) 7.273 8.363 ( 3.007 0.000 -3.165) 4.366 8.691 ( -1.329 -0.000 -2.372) 2.719 8.966 ( 4.141 0.000 5.706) 7.051 9.425 ( 1.423 0.000 10.422) 10.518 9.599 ( -4.781 -0.000 -0.514) 4.809 9.970 ( 3.349 0.000 4.237) 5.401 10.099 ( -3.796 -0.000 4.551) 5.926 10.389 ( -0.607 -0.000 -1.389) 1.516 10.407 ( 15.913 0.000 10.056) 18.824 10.635 ( 2.964 0.000 1.627) 3.381 11.437 ( 1.384 0.000 -0.064) 1.386 11.582 ( 0.747 0.000 -13.190) 13.211 11.893 ( 7.523 0.000 -0.703) 7.556 12.721 ( 6.479 0.000 -0.162) 6.481 13.295 ( -1.253 -0.000 -0.107) 1.257 14.339 ( 4.228 0.000 0.017) 4.228 14.556 ( -27.148 -0.000 -11.035) 29.305 14.643 ( -2.168 -0.000 -0.143) 2.173 14.660 ( -7.194 -0.000 7.048) 10.070 15.443 ( 8.975 0.000 -2.107) 9.219 16.257 ( -1.140 -0.000 -0.091) 1.144 16.447 ( -0.613 -0.000 0.039) 0.614 17.294 ( 21.811 0.000 5.356) 22.459 17.884 ( 23.043 0.000 -23.424) 32.858 20.477 ( -9.055 -0.000 -1.196) 9.133 21.336 ( 0.894 0.000 6.385) 6.447 23.363 ( 3.274 0.000 0.374) 3.296 24.392 ( -18.175 -0.000 4.049) 18.620 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 14.060 -7.304 -18.411) 24.290 1.830 ( 20.726 -7.593 -11.858) 25.056 2.211 ( 11.558 1.907 12.792) 17.345 2.546 ( 7.909 -12.472 8.560) 17.069 2.776 ( -9.880 2.051 7.829) 12.772 3.140 ( -3.128 -0.054 -0.471) 3.164 3.236 ( 3.588 -1.556 -2.401) 4.589 3.364 ( 2.658 6.674 -9.747) 12.108 3.517 ( -5.449 0.404 -0.175) 5.467 3.678 ( 3.347 -3.698 -4.889) 6.984 3.726 ( 4.987 -0.232 0.376) 5.007 3.986 ( 2.423 3.488 -6.201) 7.516 4.039 ( -3.565 0.831 5.704) 6.777 4.133 ( -0.740 -0.755 0.950) 1.421 4.265 ( 3.142 -2.598 9.842) 10.653 4.313 ( -0.410 -7.703 3.896) 8.642 4.470 ( -6.774 8.083 -2.571) 10.855 4.688 ( 4.819 0.344 2.375) 5.383 4.926 ( -1.795 0.608 0.359) 1.929 4.997 ( 5.870 -3.022 -0.751) 6.645 5.478 ( 0.573 -0.718 -2.359) 2.531 5.577 ( 4.975 -6.376 2.292) 8.406 5.740 ( -0.074 -6.283 4.804) 7.910 5.889 ( -5.761 2.381 -1.803) 6.489 6.068 ( 10.635 -1.052 0.285) 10.691 6.229 ( -3.762 4.247 -2.840) 6.344 6.518 ( -2.570 -11.088 -8.304) 14.089 6.719 ( -12.208 -7.113 12.233) 18.689 6.898 ( -2.313 -5.369 -2.212) 6.250 7.129 ( -5.375 3.031 4.686) 7.748 7.226 ( 4.911 -3.995 -1.565) 6.521 7.979 ( -4.829 2.175 -4.583) 7.004 8.479 ( 3.805 -8.809 -4.504) 10.601 8.784 ( -3.958 -11.267 -0.412) 11.949 9.037 ( 4.909 -2.744 3.892) 6.839 9.448 ( -4.261 -1.243 6.794) 8.115 9.591 ( -3.331 -4.512 0.172) 5.611 9.919 ( -5.289 6.642 7.069) 11.048 10.039 ( -4.401 2.234 1.815) 5.259 10.207 ( 4.083 7.652 -2.750) 9.099 10.725 ( -3.190 -4.139 1.394) 5.408 10.780 ( 5.528 -17.507 7.589) 19.865 11.488 ( 1.636 -4.249 0.161) 4.556 11.681 ( 4.021 -10.453 -6.926) 13.169 12.006 ( 12.720 -3.919 1.454) 13.389 12.701 ( 6.649 7.538 -0.952) 10.097 13.241 ( -2.402 4.565 0.062) 5.159 14.212 ( -15.476 11.780 -5.717) 20.272 14.439 ( 4.964 -5.866 -0.698) 7.715 14.521 ( -4.670 8.134 0.203) 9.381 14.756 ( -7.369 -9.552 1.535) 12.161 15.383 ( 6.270 10.555 -0.233) 12.278 16.427 ( 0.079 -18.139 -0.695) 18.153 16.630 ( 0.628 -18.992 3.628) 19.346 17.396 ( 18.827 7.604 4.992) 20.909 17.976 ( 19.391 4.235 -22.174) 29.760 20.375 ( -8.511 3.112 -0.568) 9.080 21.287 ( -0.589 7.165 5.267) 8.912 23.388 ( 3.890 0.508 0.611) 3.970 24.177 ( -16.467 8.189 1.560) 18.457 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 11.072 -5.166 -16.459) 20.498 2.169 ( 19.579 -12.680 -8.582) 24.855 2.364 ( 5.876 -5.223 8.777) 11.783 2.618 ( -5.316 -0.066 4.552) 6.999 2.914 ( 6.299 -10.355 9.495) 15.396 3.086 ( -7.522 1.517 4.072) 8.687 3.172 ( 1.460 5.897 -0.841) 6.133 3.311 ( -2.857 2.541 0.104) 3.825 3.470 ( -3.165 0.744 -4.463) 5.522 3.658 ( 2.556 5.431 -6.132) 8.580 3.679 ( -0.909 5.462 0.168) 5.540 3.985 ( -3.261 4.119 6.067) 8.025 4.107 ( 0.424 -3.131 -5.524) 6.364 4.136 ( 11.631 -4.225 -3.497) 12.860 4.257 ( -4.589 1.757 -0.053) 4.915 4.393 ( -3.615 -7.889 -5.245) 10.140 4.549 ( 9.018 -9.933 10.506) 17.040 4.744 ( 7.510 -1.170 4.617) 8.893 4.937 ( 0.744 -2.232 -2.228) 3.240 5.080 ( 2.340 -1.669 -0.056) 2.874 5.480 ( -3.653 -0.472 -3.128) 4.832 5.650 ( 5.191 1.164 2.515) 5.884 5.772 ( -8.093 3.541 0.886) 8.878 5.945 ( 2.376 -11.940 6.027) 13.584 6.067 ( 4.058 9.070 -1.194) 10.008 6.243 ( 5.355 -5.976 -4.728) 9.314 6.737 ( -3.982 -15.182 -1.269) 15.747 6.801 ( -10.337 -12.425 7.979) 18.025 6.992 ( -3.801 -8.434 -2.730) 9.645 7.052 ( -3.218 2.040 2.851) 4.759 7.373 ( 7.893 -6.342 -1.913) 10.304 7.900 ( -5.460 0.954 -2.447) 6.058 8.637 ( 1.983 -6.910 -5.004) 8.759 8.928 ( -1.552 -5.071 5.474) 7.622 9.179 ( 6.302 -8.681 0.018) 10.727 9.452 ( -7.962 -3.403 1.181) 8.739 9.688 ( -3.441 -2.176 1.093) 4.216 9.765 ( -6.208 -3.670 0.602) 7.237 9.996 ( 2.012 2.057 3.639) 4.639 10.182 ( -1.093 -2.840 -3.332) 4.513 10.685 ( -9.214 1.045 -1.117) 9.340 11.175 ( 3.859 -21.342 5.486) 22.372 11.598 ( 1.241 -6.597 0.464) 6.728 11.865 ( 3.623 -7.993 -4.275) 9.762 12.190 ( 5.149 -5.015 5.867) 9.279 12.600 ( 9.356 8.907 -2.533) 13.164 13.104 ( -4.660 7.709 0.690) 9.035 13.911 ( -8.580 10.460 -3.707) 14.027 14.301 ( -1.807 13.021 0.384) 13.152 14.557 ( 1.786 -0.541 -2.005) 2.739 14.860 ( -6.907 -9.812 0.314) 12.003 15.283 ( 2.111 2.808 2.339) 4.220 16.784 ( 5.610 -17.775 -1.074) 18.670 17.074 ( 1.480 -27.152 9.832) 28.915 17.369 ( 16.086 11.301 5.073) 20.303 17.923 ( 8.942 8.475 -21.518) 24.795 20.247 ( -6.220 4.381 -0.442) 7.621 21.112 ( -1.519 12.731 3.955) 13.417 23.409 ( 4.028 0.853 0.672) 4.172 23.906 ( -11.645 9.332 -0.417) 14.929 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 9.093 -8.985 -9.952) 16.201 2.428 ( -5.549 -2.756 3.096) 6.926 2.505 ( 16.642 -11.124 -7.169) 21.263 2.692 ( 3.631 -4.333 1.972) 5.987 2.984 ( -3.590 5.268 1.212) 6.489 3.010 ( -4.401 -1.882 3.879) 6.162 3.213 ( 8.299 1.715 7.814) 11.527 3.216 ( -9.241 0.136 4.209) 10.155 3.392 ( 2.514 7.486 0.006) 7.897 3.533 ( -3.123 5.840 -4.190) 7.837 3.601 ( 0.569 1.026 -4.573) 4.721 3.924 ( 1.837 3.093 4.292) 5.600 4.031 ( -0.489 8.810 1.654) 8.977 4.162 ( -0.839 3.221 -3.907) 5.133 4.346 ( 1.806 -9.636 -3.621) 10.451 4.603 ( 2.066 -14.525 -7.184) 16.336 4.814 ( 6.015 -8.782 9.685) 14.391 4.883 ( 10.145 -7.017 -1.600) 12.438 4.986 ( -0.590 -3.188 1.830) 3.722 5.079 ( -2.782 0.533 -0.224) 2.841 5.394 ( -6.777 3.905 -0.134) 7.822 5.638 ( -4.374 4.631 2.481) 6.836 5.719 ( 2.843 -2.281 -0.851) 3.743 5.912 ( 1.024 10.363 0.353) 10.420 6.147 ( 2.888 -6.801 2.429) 7.777 6.348 ( 6.252 -1.183 -4.735) 7.931 6.838 ( -10.649 -6.514 5.519) 13.649 7.004 ( 1.447 -1.434 4.700) 5.122 7.107 ( -3.589 -8.167 -3.423) 9.555 7.138 ( 2.609 -17.869 -2.336) 18.209 7.546 ( 3.953 -8.279 1.858) 9.361 7.858 ( -5.340 -1.977 -3.482) 6.675 8.724 ( -0.514 -4.003 -3.741) 5.503 8.966 ( 0.145 1.085 7.941) 8.016 9.353 ( -10.560 3.978 -4.765) 12.249 9.406 ( 11.996 -7.594 -1.123) 14.242 9.713 ( 2.830 -5.421 5.509) 8.231 9.887 ( -6.739 -6.599 -6.353) 11.372 10.098 ( 2.700 -12.751 5.121) 14.004 10.232 ( -5.372 -5.350 -2.112) 7.871 10.601 ( -8.241 -1.308 -1.442) 8.468 11.551 ( 4.477 -14.770 4.794) 16.161 11.724 ( 0.996 -6.349 0.342) 6.436 11.980 ( 0.006 -1.303 -4.419) 4.607 12.270 ( 3.249 -5.255 4.331) 7.545 12.575 ( 7.144 2.370 -2.777) 8.023 12.927 ( -7.412 6.003 1.715) 9.691 13.696 ( -4.302 7.958 -1.942) 9.252 14.071 ( 1.461 12.359 1.561) 12.542 14.417 ( -2.598 13.235 -3.761) 14.002 15.036 ( -3.801 -14.469 0.641) 14.974 15.332 ( -3.014 -6.752 2.321) 7.750 16.986 ( 14.528 8.988 -1.444) 17.145 17.268 ( 9.951 9.703 15.419) 20.759 17.637 ( 6.205 -25.668 1.644) 26.459 17.798 ( -7.121 -4.304 -18.911) 20.661 20.137 ( -2.814 3.772 -0.766) 4.768 20.858 ( -2.016 15.166 2.911) 15.574 23.425 ( 3.500 0.971 0.500) 3.667 23.691 ( -7.096 6.324 -0.776) 9.537 ======================= Grid point 334 (161/172) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 6.485 -10.016 -3.498) 12.434 2.460 ( -4.073 -4.941 0.307) 6.411 2.666 ( 1.940 7.528 -0.700) 7.805 2.765 ( 6.221 -3.915 -2.589) 7.793 2.859 ( -0.699 5.402 -0.402) 5.462 3.101 ( -1.597 -5.285 4.594) 7.183 3.148 ( -1.107 -2.226 4.098) 4.793 3.229 ( -4.113 -2.085 1.152) 4.753 3.258 ( 2.401 8.784 1.996) 9.322 3.427 ( -2.872 1.425 -3.241) 4.559 3.683 ( 8.653 -4.871 -4.189) 10.777 3.786 ( 0.267 15.903 2.410) 16.087 3.934 ( 3.549 2.133 2.233) 4.705 4.105 ( -2.490 2.106 -2.495) 4.106 4.472 ( -4.343 -6.009 -1.828) 7.636 4.826 ( 1.982 -9.621 -2.387) 10.109 4.912 ( -0.585 0.969 3.239) 3.431 5.008 ( 2.835 -2.655 0.498) 3.916 5.051 ( -1.379 -0.231 -2.131) 2.549 5.147 ( 0.819 -7.561 4.083) 8.632 5.302 ( -2.428 -0.773 -1.512) 2.963 5.536 ( -1.613 4.460 1.381) 4.940 5.718 ( 0.894 10.920 2.284) 11.192 5.760 ( -1.135 0.097 -2.740) 2.968 6.236 ( 1.113 -1.908 0.203) 2.218 6.360 ( 3.989 3.761 -0.974) 5.568 6.853 ( -7.019 -3.652 -0.052) 7.912 7.074 ( 3.887 -2.996 2.984) 5.743 7.185 ( -0.450 -3.099 -2.309) 3.891 7.422 ( 6.935 -9.059 1.915) 11.569 7.707 ( -6.539 -7.899 4.314) 11.125 7.894 ( -0.206 -7.441 -6.295) 9.748 8.762 ( -1.197 -1.832 -1.706) 2.775 8.922 ( -3.431 4.421 4.372) 7.101 9.223 ( -1.801 2.345 -3.489) 4.573 9.624 ( 12.013 -5.705 -0.276) 13.302 9.856 ( 6.405 -2.035 0.419) 6.733 9.897 ( -4.528 -3.568 1.298) 5.909 10.245 ( -9.318 -3.421 2.222) 10.172 10.377 ( 3.824 -13.313 -0.446) 13.858 10.643 ( -8.851 -11.964 -3.419) 15.270 11.721 ( 1.898 1.036 0.829) 2.316 11.790 ( 3.328 4.831 0.991) 5.950 11.891 ( 0.330 2.736 0.487) 2.798 12.474 ( -2.885 -1.933 0.579) 3.521 12.614 ( 8.199 -11.206 -2.704) 14.145 12.861 ( -7.802 -6.451 1.489) 10.233 13.544 ( -0.313 7.007 -0.147) 7.016 13.942 ( 3.997 6.014 3.200) 7.899 14.128 ( -3.822 13.052 -4.463) 14.313 15.285 ( -3.170 -17.042 0.876) 17.357 15.446 ( -4.686 -9.099 0.364) 10.241 16.749 ( 6.850 23.948 1.920) 24.982 17.038 ( 7.707 26.461 1.932) 27.628 17.924 ( -3.570 -16.399 -6.200) 17.892 18.131 ( 2.566 -22.655 1.385) 22.842 20.076 ( -0.052 1.515 -0.785) 1.707 20.597 ( -2.228 12.327 1.701) 12.641 23.418 ( 1.056 2.512 0.098) 2.726 23.591 ( -2.243 0.193 -0.296) 2.271 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 1.309 8.795 2.055) 9.126 2.495 ( -0.428 11.781 -0.228) 11.790 2.535 ( -2.147 -7.384 0.573) 7.712 2.704 ( 2.282 0.615 -2.500) 3.440 2.823 ( -2.971 5.036 2.498) 6.359 3.129 ( 2.276 -2.035 0.342) 3.073 3.166 ( 0.149 2.442 0.398) 2.479 3.274 ( -0.718 -4.695 -0.861) 4.827 3.332 ( 0.212 -6.748 -0.240) 6.756 3.458 ( 5.148 -2.141 -4.155) 6.953 3.529 ( -4.771 3.464 3.726) 6.975 3.819 ( 9.518 -2.795 -2.512) 10.233 3.944 ( 1.011 -0.670 -1.128) 1.656 4.030 ( -4.080 2.905 2.128) 5.442 4.472 ( -5.808 0.550 0.159) 5.836 4.830 ( 1.149 7.495 4.908) 9.032 4.911 ( -0.837 6.359 -2.395) 6.847 5.020 ( -1.935 -5.575 -2.774) 6.521 5.078 ( 1.696 5.122 -1.095) 5.505 5.127 ( -3.147 2.242 2.579) 4.646 5.369 ( 1.976 -0.096 -1.543) 2.508 5.493 ( 0.716 -2.000 -3.183) 3.827 5.557 ( -1.715 4.473 4.337) 6.462 5.767 ( -0.902 -2.264 0.076) 2.438 6.258 ( 2.726 3.257 -1.178) 4.408 6.285 ( -1.381 3.009 1.094) 3.487 6.870 ( -2.515 -2.714 -1.384) 3.950 7.152 ( 4.606 -1.155 -0.719) 4.803 7.203 ( -1.264 -0.181 1.300) 1.822 7.578 ( 6.956 -2.009 3.660) 8.113 7.714 ( -7.842 -0.398 -1.056) 7.923 8.032 ( 1.488 -6.100 -2.494) 6.756 8.726 ( -3.009 5.067 1.670) 6.125 8.848 ( -1.024 -0.092 -1.344) 1.692 9.208 ( 1.698 0.379 -0.209) 1.753 9.750 ( 5.170 1.477 -3.490) 6.410 9.808 ( -3.033 2.445 0.698) 3.958 9.976 ( 2.993 -0.407 3.913) 4.943 10.278 ( -0.655 -4.942 2.359) 5.515 10.624 ( 8.582 -10.411 -0.667) 13.509 10.819 ( -13.583 -18.369 -3.106) 23.056 11.517 ( 2.873 18.386 -1.428) 18.664 11.668 ( -0.760 11.030 2.370) 11.307 11.916 ( 0.188 -1.538 0.115) 1.553 12.468 ( -0.907 -3.135 -0.888) 3.383 12.668 ( 0.238 9.622 0.521) 9.639 13.151 ( 0.173 -21.230 -0.332) 21.233 13.495 ( 2.047 -1.903 1.635) 3.238 13.770 ( -0.777 10.661 -1.682) 10.821 14.099 ( 0.662 -8.910 0.352) 8.942 15.568 ( -1.886 -7.521 -1.136) 7.837 15.581 ( -1.458 -18.700 0.950) 18.781 16.342 ( -0.176 24.476 1.339) 24.513 16.579 ( 0.641 28.329 -0.274) 28.338 18.083 ( -0.233 -1.555 -1.930) 2.489 18.456 ( 2.675 -11.107 1.142) 11.482 20.088 ( 1.002 -2.828 -0.067) 3.001 20.450 ( -1.841 1.783 0.066) 2.564 23.368 ( -0.435 2.726 -0.027) 2.761 23.636 ( 0.402 -5.380 -0.035) 5.395 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.000 18.064 0.000) 18.064 2.247 ( -0.000 14.358 0.000) 14.358 2.549 ( 0.000 7.856 0.000) 7.856 2.755 ( -0.000 3.000 -0.000) 3.000 2.781 ( -0.000 -6.150 0.000) 6.150 3.084 ( -0.000 7.467 0.000) 7.467 3.157 ( 0.000 -1.175 0.000) 1.175 3.264 ( -0.000 -0.111 0.000) 0.111 3.386 ( 0.000 -7.534 0.000) 7.534 3.614 ( -0.000 -11.331 0.000) 11.331 3.698 ( 0.000 -12.545 -0.000) 12.545 3.923 ( 0.000 -2.029 -0.000) 2.029 3.940 ( -0.000 -2.267 0.000) 2.267 3.994 ( 0.000 -0.585 0.000) 0.585 4.375 ( -0.000 8.412 0.000) 8.412 4.663 ( -0.000 14.367 -0.000) 14.367 4.730 ( 0.000 9.740 0.000) 9.740 4.834 ( -0.000 15.898 0.000) 15.898 5.083 ( -0.000 -1.734 0.000) 1.734 5.115 ( 0.000 2.294 -0.000) 2.294 5.329 ( 0.000 1.923 0.000) 1.923 5.552 ( 0.000 -1.753 -0.000) 1.753 5.581 ( -0.000 -5.992 0.000) 5.992 5.833 ( -0.000 -5.559 0.000) 5.559 6.136 ( 0.000 7.734 -0.000) 7.734 6.272 ( -0.000 2.008 0.000) 2.008 6.902 ( -0.000 -2.086 0.000) 2.086 7.166 ( -0.000 1.990 0.000) 1.990 7.192 ( 0.000 0.453 -0.000) 0.453 7.596 ( 0.000 5.822 0.000) 5.822 7.613 ( -0.000 6.756 -0.000) 6.756 8.090 ( 0.000 -0.663 0.000) 0.663 8.617 ( 0.000 4.607 0.000) 4.607 8.864 ( 0.000 -1.054 -0.000) 1.054 9.198 ( -0.000 2.130 0.000) 2.130 9.616 ( 0.000 9.523 0.000) 9.523 9.808 ( -0.000 0.683 0.000) 0.683 9.974 ( 0.000 1.756 0.000) 1.756 10.358 ( 0.000 -2.698 0.000) 2.698 10.788 ( 0.000 0.999 0.000) 0.999 11.068 ( -0.000 -16.262 0.000) 16.262 11.239 ( 0.000 10.745 0.000) 10.745 11.462 ( 0.000 9.792 0.000) 9.792 11.933 ( -0.000 -1.064 0.000) 1.064 12.416 ( 0.000 17.505 0.000) 17.505 12.505 ( -0.000 1.809 0.000) 1.809 13.226 ( 0.000 9.164 0.000) 9.164 13.621 ( 0.000 -10.434 0.000) 10.434 13.887 ( -0.000 -21.644 0.000) 21.644 14.310 ( -0.000 -13.473 0.000) 13.473 15.571 ( 0.000 11.672 0.000) 11.672 15.851 ( -0.000 -3.826 0.000) 3.826 16.046 ( 0.000 3.083 0.000) 3.083 16.167 ( -0.000 9.522 0.000) 9.522 17.920 ( 0.000 19.508 0.000) 19.508 18.542 ( 0.000 2.805 0.000) 2.805 20.190 ( -0.000 -7.931 0.000) 7.931 20.524 ( 0.000 -10.503 0.000) 10.503 23.329 ( -0.000 1.519 0.000) 1.519 23.772 ( -0.000 -10.068 0.000) 10.068 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 20.174 0.000 -12.669) 23.822 1.885 ( 16.777 0.000 -18.424) 24.918 2.428 ( 5.731 0.000 15.505) 16.530 2.454 ( 16.047 0.000 7.759) 17.824 2.743 ( -9.896 -0.000 8.075) 12.773 3.055 ( -13.842 -0.000 10.850) 17.587 3.282 ( 11.369 0.000 -11.347) 16.063 3.472 ( -5.393 -0.000 0.189) 5.397 3.480 ( -2.480 -0.000 -13.956) 14.175 3.574 ( 7.425 0.000 -6.788) 10.060 3.793 ( 3.326 0.000 4.023) 5.220 4.003 ( -6.861 -0.000 -3.830) 7.857 4.021 ( -4.526 -0.000 3.935) 5.997 4.152 ( 10.962 0.000 -4.107) 11.706 4.164 ( -8.975 -0.000 1.962) 9.187 4.371 ( 10.962 0.000 11.124) 15.618 4.535 ( -5.128 -0.000 6.045) 7.927 4.694 ( 3.752 0.000 -1.289) 3.967 4.931 ( 1.426 0.000 -1.331) 1.950 5.023 ( 7.245 0.000 -0.866) 7.297 5.462 ( -3.194 -0.000 -4.299) 5.356 5.540 ( 6.528 0.000 5.131) 8.303 5.700 ( 1.848 0.000 1.020) 2.111 5.850 ( -9.099 -0.000 1.352) 9.199 6.085 ( -2.426 -0.000 0.501) 2.477 6.278 ( 4.081 0.000 0.040) 4.081 6.381 ( -1.152 -0.000 -11.027) 11.087 6.591 ( -11.707 -0.000 13.033) 17.519 6.828 ( -1.752 -0.000 -1.873) 2.564 7.154 ( -5.023 -0.000 5.718) 7.611 7.195 ( 5.065 0.000 -1.845) 5.390 7.948 ( -5.089 -0.000 -6.597) 8.331 8.418 ( 6.432 0.000 -5.451) 8.431 8.647 ( -3.215 -0.000 0.418) 3.242 9.062 ( 4.775 0.000 3.916) 6.175 9.442 ( -1.844 -0.000 3.897) 4.311 9.488 ( -9.129 -0.000 0.358) 9.136 9.891 ( -13.786 -0.000 8.757) 16.332 10.039 ( -1.576 -0.000 -0.631) 1.698 10.384 ( 0.695 0.000 -1.161) 1.353 10.660 ( 1.901 0.000 14.365) 14.490 10.688 ( 2.871 0.000 1.122) 3.082 11.465 ( 2.029 0.000 0.167) 2.036 11.591 ( 7.326 0.000 -9.358) 11.884 12.102 ( 16.046 0.000 2.081) 16.181 12.808 ( 4.671 0.000 -0.665) 4.719 13.263 ( -2.677 -0.000 -0.079) 2.678 14.195 ( -12.697 -0.000 -8.037) 15.027 14.409 ( 4.389 0.000 -0.076) 4.389 14.594 ( -4.635 -0.000 4.415) 6.402 14.604 ( -2.543 -0.000 -0.127) 2.546 15.558 ( 6.181 0.000 -1.207) 6.298 16.234 ( -1.546 -0.000 -0.243) 1.565 16.440 ( -0.289 -0.000 0.194) 0.349 17.611 ( 16.802 0.000 2.962) 17.061 18.150 ( 20.866 0.000 -17.100) 26.978 20.331 ( -8.838 -0.000 -0.174) 8.840 21.352 ( -1.747 -0.000 4.361) 4.698 23.430 ( 4.913 0.000 1.065) 5.027 24.113 ( -17.668 -0.000 0.636) 17.680 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 15.626 -0.499 -17.419) 23.406 2.078 ( 17.586 -11.054 -10.325) 23.196 2.414 ( 2.127 3.395 11.516) 12.192 2.653 ( 2.435 3.893 7.945) 9.176 2.753 ( 1.732 -13.018 9.017) 15.930 3.017 ( -9.697 -2.543 8.801) 13.340 3.280 ( 0.005 6.149 -3.838) 7.249 3.353 ( 1.482 2.831 -5.088) 6.008 3.449 ( -1.046 0.146 -6.413) 6.499 3.676 ( 0.854 -2.729 -5.798) 6.465 3.780 ( 0.621 2.853 2.922) 4.131 3.985 ( -3.354 -2.888 -1.223) 4.592 4.007 ( -1.810 -3.370 -1.087) 3.977 4.115 ( -5.432 -1.071 1.235) 5.673 4.241 ( -2.475 1.351 1.496) 3.192 4.360 ( 8.364 2.293 -5.629) 10.339 4.563 ( 11.753 -0.181 7.972) 14.203 4.786 ( 4.911 -4.054 4.872) 8.018 4.936 ( 5.263 1.377 -4.081) 6.801 5.090 ( 5.831 -1.030 -0.895) 5.988 5.424 ( -4.347 -0.565 -3.798) 5.800 5.677 ( 3.950 -3.506 2.459) 5.826 5.749 ( -7.045 -0.168 2.841) 7.598 5.769 ( -4.345 -6.108 5.349) 9.209 6.104 ( -4.845 -7.058 -2.532) 8.927 6.271 ( 9.096 5.734 0.831) 10.784 6.441 ( -0.997 -10.640 -10.956) 15.305 6.582 ( -12.429 -5.794 13.761) 19.427 6.851 ( -2.404 -4.392 -1.521) 5.233 7.094 ( -0.964 3.208 3.456) 4.813 7.312 ( 6.061 -6.948 -1.399) 9.326 7.877 ( -5.168 1.686 -4.592) 7.116 8.532 ( 5.362 -6.373 -6.053) 10.296 8.727 ( -2.950 -11.882 2.314) 12.459 9.128 ( 4.437 -2.508 2.672) 5.755 9.366 ( -8.389 1.147 2.407) 8.803 9.525 ( -4.095 -7.003 -2.200) 8.405 9.763 ( -12.368 4.078 7.980) 15.273 10.042 ( 0.904 -1.218 -0.353) 1.557 10.271 ( 3.668 9.965 0.526) 10.632 10.640 ( -7.020 1.909 0.350) 7.284 10.880 ( 3.261 -15.876 5.296) 17.051 11.515 ( 1.573 -3.823 0.354) 4.149 11.733 ( 4.862 -9.217 -3.390) 10.958 12.225 ( 11.250 0.096 3.373) 11.745 12.788 ( 5.012 5.591 -1.402) 7.639 13.192 ( -3.552 5.385 0.249) 6.455 14.010 ( -6.563 8.901 -4.824) 12.065 14.477 ( -1.596 7.584 1.226) 7.846 14.511 ( 4.032 -4.861 -0.273) 6.322 14.663 ( -5.354 -6.821 0.912) 8.719 15.458 ( 3.312 11.683 -0.051) 12.144 16.429 ( 0.423 -20.205 -0.439) 20.214 16.640 ( -0.889 -21.260 2.283) 21.401 17.673 ( 14.152 7.625 2.462) 16.262 18.180 ( 15.492 9.460 -13.504) 22.624 20.248 ( -7.218 1.926 -0.044) 7.471 21.281 ( -2.109 7.114 3.107) 8.044 23.466 ( 5.496 1.003 1.317) 5.740 23.932 ( -14.301 5.266 -0.888) 15.266 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 11.746 -3.636 -12.639) 17.633 2.348 ( -5.397 -2.475 1.321) 6.083 2.426 ( 12.456 -9.510 -0.753) 15.689 2.692 ( 9.001 -0.961 5.897) 10.803 2.930 ( -7.128 -6.180 2.031) 9.650 2.986 ( -6.905 0.323 3.485) 7.741 3.192 ( -1.501 3.933 -0.440) 4.232 3.317 ( 2.817 1.798 9.178) 9.768 3.430 ( 1.283 -0.340 -7.936) 8.046 3.641 ( 1.932 5.045 -2.358) 5.894 3.716 ( 1.966 8.558 -0.144) 8.782 3.963 ( -2.180 0.797 2.691) 3.553 4.075 ( -1.531 -1.742 -1.176) 2.600 4.122 ( -8.874 -5.447 -1.906) 10.585 4.197 ( -3.909 -5.976 0.340) 7.149 4.479 ( 15.286 -2.022 -7.482) 17.139 4.713 ( 6.325 -8.250 4.706) 11.411 4.900 ( 6.129 -2.131 7.407) 9.847 4.966 ( 7.909 -0.625 -6.740) 10.410 5.103 ( 0.847 2.897 -1.328) 3.297 5.372 ( -8.893 1.021 -0.388) 8.960 5.641 ( -9.590 1.973 5.347) 11.156 5.696 ( 0.065 -1.465 -1.123) 1.847 6.003 ( 1.883 -12.784 3.661) 13.430 6.102 ( 2.134 7.509 0.455) 7.820 6.333 ( 7.632 -4.765 -5.917) 10.768 6.630 ( -10.002 -8.483 6.346) 14.570 6.717 ( -2.462 -22.391 -0.434) 22.530 6.929 ( -2.560 -7.377 -1.887) 8.033 7.058 ( 1.420 1.766 2.191) 3.152 7.491 ( 7.121 -6.946 -0.138) 9.949 7.797 ( -5.727 1.364 -2.750) 6.497 8.637 ( 0.577 -4.657 -3.506) 5.858 8.962 ( 3.191 -8.884 4.818) 10.599 9.230 ( -4.002 -7.048 1.203) 8.194 9.320 ( -3.149 -3.701 -2.749) 5.583 9.634 ( -5.352 -10.464 -4.800) 12.696 9.664 ( -3.235 -0.886 5.840) 6.734 10.087 ( 4.444 0.121 3.627) 5.737 10.166 ( 0.558 2.531 -2.154) 3.370 10.543 ( -7.225 1.562 -1.128) 7.478 11.250 ( 2.736 -21.473 3.467) 21.922 11.615 ( 0.679 -6.252 0.498) 6.308 11.900 ( 2.547 -6.735 -2.545) 7.637 12.270 ( 2.154 1.192 3.453) 4.240 12.724 ( 7.396 6.003 -1.921) 9.717 13.025 ( -5.494 9.649 0.973) 11.146 13.802 ( -3.421 8.887 -2.491) 9.843 14.299 ( 0.752 11.748 1.109) 11.824 14.546 ( -1.987 4.073 -1.828) 4.887 14.792 ( -1.941 -11.382 0.496) 11.556 15.314 ( 0.775 5.278 1.241) 5.477 16.849 ( 3.065 -24.547 -0.099) 24.737 17.102 ( -1.780 -30.128 5.012) 30.594 17.583 ( 8.937 13.256 2.369) 16.162 18.005 ( 9.069 18.068 -11.244) 23.133 20.163 ( -4.015 2.433 -0.208) 4.699 21.096 ( -1.832 12.690 2.023) 12.981 23.487 ( 5.388 1.872 1.219) 5.832 23.732 ( -9.677 5.907 -1.408) 11.425 ======================= Grid point 345 (167/172) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 7.004 -7.804 -5.449) 11.817 2.340 ( -5.773 -4.126 2.405) 7.492 2.693 ( 8.778 -8.922 -2.911) 12.850 2.766 ( 3.479 2.263 0.499) 4.180 2.949 ( -2.040 -4.563 1.385) 5.186 2.967 ( -1.494 0.523 0.556) 1.678 3.087 ( -6.789 0.352 2.047) 7.100 3.273 ( -1.009 6.146 3.452) 7.121 3.452 ( 0.422 3.234 0.036) 3.262 3.496 ( 0.470 13.183 -0.008) 13.191 3.644 ( 5.876 -3.614 -2.534) 7.349 3.970 ( 1.598 0.215 1.437) 2.160 4.025 ( -1.019 7.722 1.079) 7.863 4.109 ( -2.678 -0.029 -2.096) 3.401 4.313 ( -2.648 -8.170 -0.468) 8.601 4.640 ( 4.089 -9.779 -3.846) 11.276 4.926 ( 3.628 -6.141 4.820) 8.609 4.984 ( -0.334 -3.140 3.260) 4.539 5.022 ( -2.496 0.558 -3.318) 4.190 5.062 ( 11.277 -1.839 -3.429) 11.929 5.265 ( -9.397 1.360 0.973) 9.545 5.570 ( -3.806 1.426 3.289) 5.229 5.734 ( -0.009 -1.948 -1.999) 2.791 5.942 ( 1.532 11.981 1.053) 12.125 6.187 ( 0.965 -5.613 1.235) 5.827 6.426 ( 5.202 -0.544 -3.739) 6.429 6.703 ( -7.278 -7.183 3.333) 10.755 7.054 ( 1.731 -3.476 1.721) 4.248 7.058 ( -1.306 -8.952 -0.935) 9.095 7.164 ( 1.479 -22.572 -1.245) 22.654 7.630 ( 4.475 -1.315 4.296) 6.341 7.752 ( -5.143 -4.500 -4.782) 8.341 8.701 ( -0.528 -3.568 -1.336) 3.846 9.005 ( 0.563 5.166 4.318) 6.757 9.216 ( -3.854 -0.741 -3.125) 5.017 9.536 ( 4.439 -12.415 -0.493) 13.193 9.757 ( -3.021 -9.250 3.827) 10.456 9.806 ( 2.725 -11.878 -4.421) 12.964 10.080 ( -4.506 0.066 2.276) 5.049 10.224 ( 2.658 -6.765 -0.545) 7.289 10.494 ( -3.970 -1.797 -0.835) 4.437 11.620 ( 1.842 -15.549 2.182) 15.809 11.734 ( 0.235 -6.578 0.120) 6.583 11.968 ( 0.264 0.623 -1.913) 2.029 12.306 ( 0.233 -7.031 1.585) 7.211 12.687 ( 8.544 6.548 -2.953) 11.162 12.811 ( -8.454 6.172 2.507) 10.764 13.649 ( -1.110 6.375 -0.792) 6.519 14.110 ( 1.923 10.483 1.203) 10.725 14.353 ( -2.711 14.018 -2.008) 14.418 15.002 ( -0.973 -13.780 0.269) 13.816 15.306 ( -1.161 -3.666 0.864) 3.941 17.149 ( 5.937 7.621 -0.718) 9.687 17.446 ( 4.039 0.247 18.647) 19.081 17.597 ( -5.352 -11.490 -16.152) 20.532 17.750 ( 4.246 -5.701 -2.910) 7.681 20.103 ( -1.027 2.032 -0.309) 2.298 20.839 ( -1.151 15.328 1.048) 15.407 23.486 ( 3.650 3.193 0.680) 4.897 23.589 ( -4.974 2.700 -0.840) 5.721 ======================= Grid point 346 (168/172) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -0.000 -10.624 0.000) 10.624 2.406 ( -0.000 -4.476 0.000) 4.476 2.678 ( -0.000 8.340 -0.000) 8.340 2.828 ( -0.000 9.846 0.000) 9.846 2.838 ( -0.000 -3.657 0.000) 3.657 3.110 ( -0.000 -7.237 -0.000) 7.237 3.150 ( 0.000 -6.920 0.000) 6.920 3.177 ( -0.000 -0.116 0.000) 0.116 3.282 ( -0.000 9.589 0.000) 9.589 3.396 ( -0.000 0.695 -0.000) 0.695 3.774 ( 0.000 -6.262 -0.000) 6.262 3.793 ( -0.000 16.562 0.000) 16.562 3.969 ( -0.000 1.919 0.000) 1.919 4.072 ( -0.000 2.887 0.000) 2.887 4.412 ( -0.000 -4.529 -0.000) 4.529 4.844 ( -0.000 -11.279 -0.000) 11.279 4.922 ( -0.000 3.188 0.000) 3.188 4.990 ( 0.000 1.403 0.000) 1.403 5.082 ( -0.000 -2.361 0.000) 2.361 5.142 ( 0.000 -0.807 0.000) 0.807 5.282 ( -0.000 -7.473 0.000) 7.473 5.527 ( -0.000 2.878 0.000) 2.878 5.718 ( -0.000 9.845 0.000) 9.845 5.753 ( -0.000 2.832 0.000) 2.832 6.243 ( -0.000 -1.611 0.000) 1.611 6.398 ( -0.000 5.337 0.000) 5.337 6.789 ( -0.000 -5.230 0.000) 5.230 7.118 ( -0.000 -3.609 0.000) 3.609 7.176 ( -0.000 -4.044 0.000) 4.044 7.510 ( 0.000 -13.167 0.000) 13.167 7.636 ( -0.000 -0.731 0.000) 0.731 7.878 ( -0.000 -10.276 -0.000) 10.276 8.747 ( -0.000 -1.705 0.000) 1.705 8.897 ( -0.000 6.184 0.000) 6.184 9.212 ( -0.000 -0.254 0.000) 0.254 9.713 ( -0.000 -6.470 -0.000) 6.470 9.831 ( -0.000 -0.442 -0.000) 0.442 10.019 ( -0.000 1.703 0.000) 1.703 10.100 ( -0.000 -14.197 0.000) 14.197 10.425 ( -0.000 -14.942 0.000) 14.942 10.546 ( 0.000 -6.175 0.000) 6.175 11.736 ( -0.000 4.074 0.000) 4.074 11.817 ( -0.000 0.441 -0.000) 0.441 11.899 ( -0.000 3.500 0.000) 3.500 12.447 ( -0.000 -0.045 0.000) 0.045 12.722 ( -0.000 -18.907 0.000) 18.907 12.756 ( 0.000 0.676 -0.000) 0.676 13.544 ( -0.000 5.224 0.000) 5.224 14.016 ( -0.000 0.579 -0.000) 0.579 14.051 ( 0.000 18.006 0.000) 18.006 15.262 ( -0.000 -16.758 -0.000) 16.758 15.408 ( -0.000 -8.168 0.000) 8.168 16.809 ( -0.000 26.209 0.000) 26.209 17.103 ( -0.000 29.739 0.000) 29.739 17.879 ( -0.000 -19.480 0.000) 19.480 18.160 ( -0.000 -23.164 -0.000) 23.164 20.075 ( -0.000 0.649 0.000) 0.649 20.581 ( -0.000 12.712 0.000) 12.712 23.427 ( -0.000 4.119 0.000) 4.119 23.572 ( -0.000 -1.988 0.000) 1.988 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 11.155 0.000 -13.928) 17.844 2.047 ( 21.896 0.000 -11.977) 24.958 2.509 ( -6.758 -0.000 12.944) 14.602 2.582 ( -6.479 -0.000 7.310) 9.768 2.791 ( 12.060 0.000 7.315) 14.106 2.939 ( -4.943 -0.000 12.054) 13.028 3.354 ( 2.663 0.000 -4.421) 5.161 3.356 ( -4.720 -0.000 -13.370) 14.179 3.412 ( -1.349 -0.000 -1.673) 2.149 3.626 ( 2.846 0.000 -4.798) 5.579 3.805 ( -1.778 -0.000 2.180) 2.813 3.895 ( -4.643 -0.000 -1.903) 5.018 3.977 ( -2.593 -0.000 2.743) 3.774 4.066 ( -4.273 -0.000 1.150) 4.425 4.229 ( -9.202 -0.000 4.150) 10.095 4.492 ( 19.636 0.000 -5.857) 20.491 4.702 ( 9.619 0.000 4.686) 10.699 4.734 ( 1.852 0.000 -0.628) 1.956 5.013 ( 9.896 0.000 -2.007) 10.097 5.124 ( 5.457 0.000 -0.803) 5.516 5.380 ( -5.686 -0.000 -1.715) 5.939 5.638 ( 2.453 0.000 3.780) 4.506 5.686 ( -12.722 -0.000 5.703) 13.942 5.732 ( 2.275 0.000 0.223) 2.286 5.948 ( -10.290 -0.000 -1.744) 10.436 6.330 ( 1.558 0.000 -11.590) 11.694 6.399 ( 7.158 0.000 1.573) 7.329 6.472 ( -10.364 -0.000 12.682) 16.378 6.796 ( -1.399 -0.000 -0.872) 1.648 7.140 ( 0.251 0.000 2.759) 2.771 7.263 ( 3.859 0.000 -1.059) 4.002 7.845 ( -4.190 -0.000 -4.364) 6.050 8.503 ( 7.145 0.000 -7.136) 10.098 8.607 ( -2.595 -0.000 3.412) 4.287 9.138 ( 2.958 0.000 1.811) 3.468 9.338 ( -9.165 -0.000 1.142) 9.236 9.415 ( -2.222 -0.000 -0.784) 2.356 9.731 ( -9.424 -0.000 7.228) 11.876 10.024 ( -0.276 -0.000 -0.555) 0.620 10.395 ( 0.936 0.000 -0.690) 1.163 10.649 ( -5.485 -0.000 5.558) 7.809 10.730 ( 1.844 0.000 0.542) 1.922 11.495 ( 1.498 0.000 0.207) 1.512 11.677 ( 5.603 0.000 -2.577) 6.167 12.328 ( 9.393 0.000 2.665) 9.764 12.860 ( 2.517 0.000 -1.201) 2.789 13.219 ( -2.526 -0.000 0.264) 2.540 14.061 ( -2.456 -0.000 -3.407) 4.200 14.470 ( 3.260 0.000 -0.164) 3.264 14.554 ( -2.429 -0.000 2.303) 3.347 14.565 ( -2.218 -0.000 -0.000) 2.218 15.623 ( 2.826 0.000 -0.737) 2.921 16.210 ( -1.143 -0.000 -0.214) 1.163 16.439 ( -0.041 -0.000 0.185) 0.189 17.846 ( 11.078 0.000 0.996) 11.122 18.351 ( 11.353 0.000 -8.046) 13.914 20.209 ( -6.078 -0.000 0.051) 6.078 21.334 ( -1.905 -0.000 2.022) 2.778 23.529 ( 6.878 0.000 1.820) 7.115 23.862 ( -13.686 -0.000 -1.615) 13.781 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 9.712 1.256 -9.880) 13.911 2.274 ( 9.654 -5.571 -6.407) 12.857 2.390 ( -4.844 0.147 8.150) 9.482 2.694 ( -7.224 -11.213 4.119) 13.961 2.826 ( 8.402 4.164 7.802) 12.198 2.959 ( -4.457 0.849 0.268) 4.545 3.258 ( 0.485 2.535 -0.685) 2.671 3.369 ( 0.455 1.244 4.085) 4.294 3.406 ( -0.361 -1.112 -8.563) 8.642 3.699 ( 5.507 -3.569 -3.649) 7.508 3.778 ( -2.853 -0.702 1.746) 3.417 3.898 ( -5.584 -1.875 -1.491) 6.076 3.976 ( -1.183 -1.331 1.682) 2.449 4.053 ( -1.928 -1.048 0.354) 2.222 4.126 ( -5.716 2.285 1.427) 6.319 4.608 ( 14.692 1.815 -3.497) 15.212 4.692 ( 2.005 0.959 1.584) 2.729 4.856 ( 1.915 -5.989 0.475) 6.306 5.074 ( 12.247 2.059 -3.320) 12.855 5.157 ( 2.813 1.005 -1.150) 3.201 5.314 ( -9.210 0.913 2.338) 9.546 5.600 ( -8.151 0.767 3.988) 9.106 5.686 ( -2.071 2.483 -0.238) 3.242 5.781 ( 0.399 -12.392 1.572) 12.497 6.047 ( -0.858 -13.251 -0.789) 13.303 6.385 ( 4.414 3.757 -2.908) 6.485 6.405 ( 2.115 -8.072 -6.888) 10.820 6.470 ( -8.151 -4.698 11.169) 14.603 6.817 ( -1.078 -3.564 -0.561) 3.766 7.113 ( 0.956 2.766 1.184) 3.156 7.383 ( 2.869 -8.868 -0.366) 9.328 7.793 ( -2.712 1.921 -1.990) 3.874 8.568 ( 1.632 -3.186 -3.082) 4.724 8.726 ( 1.015 -14.186 1.330) 14.284 9.191 ( 2.463 -2.337 0.711) 3.469 9.246 ( -6.196 1.853 1.216) 6.580 9.453 ( -2.700 -5.750 -1.994) 6.658 9.664 ( -3.820 2.109 3.923) 5.868 10.052 ( 0.527 -3.268 -0.285) 3.322 10.315 ( 1.319 8.375 0.684) 8.506 10.547 ( -3.657 4.303 -0.368) 5.659 10.931 ( 1.128 -16.786 1.731) 16.913 11.535 ( 0.687 -3.442 0.181) 3.515 11.782 ( 2.080 -7.335 -0.846) 7.671 12.352 ( 3.440 3.587 1.504) 5.193 12.842 ( 2.262 3.369 -0.868) 4.150 13.146 ( -1.979 6.529 0.315) 6.829 13.943 ( -1.096 9.350 -1.478) 9.529 14.474 ( 0.165 7.152 0.749) 7.193 14.549 ( 0.688 -1.681 -0.487) 1.880 14.606 ( -1.719 -8.233 0.460) 8.423 15.490 ( 0.927 12.188 -0.052) 12.223 16.434 ( 0.270 -21.939 -0.140) 21.941 16.632 ( -0.611 -20.904 0.700) 20.924 17.844 ( 5.778 8.173 0.676) 10.032 18.310 ( 5.631 10.766 -4.240) 12.868 20.163 ( -3.031 1.010 -0.001) 3.195 21.263 ( -1.087 7.067 0.985) 7.218 23.576 ( 7.564 1.815 1.906) 8.009 23.729 ( -10.610 3.215 -1.954) 11.257 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -0.000 -2.801 -0.000) 2.801 2.270 ( -0.000 -0.483 0.000) 0.483 2.560 ( 0.000 -10.636 -0.000) 10.636 2.828 ( -0.000 -2.258 0.000) 2.258 2.865 ( 0.000 -0.430 -0.000) 0.430 2.871 ( -0.000 -3.753 0.000) 3.753 3.174 ( -0.000 7.390 0.000) 7.390 3.365 ( -0.000 3.488 0.000) 3.488 3.428 ( 0.000 -4.202 0.000) 4.202 3.678 ( -0.000 4.344 -0.000) 4.344 3.741 ( 0.000 12.306 0.000) 12.306 3.920 ( -0.000 -7.554 -0.000) 7.554 4.026 ( -0.000 -5.015 0.000) 5.015 4.069 ( -0.000 -1.107 0.000) 1.107 4.165 ( -0.000 -7.060 0.000) 7.060 4.602 ( 0.000 2.564 -0.000) 2.564 4.775 ( -0.000 -8.549 0.000) 8.549 4.951 ( -0.000 -3.744 0.000) 3.744 5.088 ( -0.000 5.239 0.000) 5.239 5.119 ( 0.000 1.507 -0.000) 1.507 5.234 ( -0.000 1.873 0.000) 1.873 5.566 ( -0.000 0.211 -0.000) 0.211 5.684 ( -0.000 -2.763 0.000) 2.763 6.028 ( -0.000 -13.263 0.000) 13.263 6.128 ( -0.000 6.538 0.000) 6.538 6.392 ( -0.000 -4.508 -0.000) 4.508 6.546 ( -0.000 -6.788 0.000) 6.788 6.699 ( -0.000 -24.171 0.000) 24.171 6.903 ( -0.000 -7.115 0.000) 7.115 7.080 ( -0.000 1.380 0.000) 1.380 7.562 ( -0.000 -9.420 0.000) 9.420 7.729 ( -0.000 3.697 0.000) 3.697 8.631 ( -0.000 -3.920 -0.000) 3.920 9.042 ( -0.000 -17.023 -0.000) 17.023 9.125 ( 0.000 6.070 0.000) 6.070 9.321 ( -0.000 -9.667 0.000) 9.667 9.572 ( -0.000 -9.587 0.000) 9.587 9.655 ( 0.000 -3.352 -0.000) 3.352 10.131 ( -0.000 -4.526 0.000) 4.526 10.172 ( -0.000 7.467 0.000) 7.467 10.477 ( -0.000 1.642 0.000) 1.642 11.281 ( -0.000 -21.649 0.000) 21.649 11.622 ( -0.000 -5.997 0.000) 5.997 11.916 ( -0.000 -6.190 0.000) 6.190 12.293 ( -0.000 3.324 0.000) 3.324 12.790 ( -0.000 3.379 0.000) 3.379 12.971 ( 0.000 12.040 0.000) 12.040 13.772 ( -0.000 8.749 0.000) 8.749 14.314 ( -0.000 11.013 0.000) 11.013 14.515 ( -0.000 5.545 0.000) 5.545 14.783 ( -0.000 -11.375 0.000) 11.375 15.322 ( -0.000 6.041 0.000) 6.041 16.875 ( -0.000 -26.668 0.000) 26.668 17.093 ( -0.000 -30.318 0.000) 30.318 17.662 ( -0.000 14.741 0.000) 14.741 18.057 ( -0.000 19.655 0.000) 19.655 20.129 ( -0.000 1.556 0.000) 1.556 21.085 ( -0.000 12.693 0.000) 12.693 23.590 ( -0.000 4.532 -0.000) 4.532 23.594 ( 0.000 2.431 0.000) 2.431 ======================= Grid point 367 (172/172) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.000 -0.000 -0.000) 0.000 2.300 ( 0.000 0.000 -0.000) 0.000 2.362 ( -0.000 -0.000 0.000) 0.000 2.534 ( -0.000 -0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.966 ( -0.000 -0.000 0.000) 0.000 3.265 ( -0.000 -0.000 0.000) 0.000 3.347 ( -0.000 -0.000 0.000) 0.000 3.409 ( -0.000 -0.000 -0.000) 0.000 3.637 ( -0.000 -0.000 -0.000) 0.000 3.790 ( -0.000 -0.000 -0.000) 0.000 3.853 ( 0.000 0.000 -0.000) 0.000 3.966 ( -0.000 -0.000 0.000) 0.000 4.036 ( -0.000 -0.000 0.000) 0.000 4.138 ( -0.000 -0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.747 ( -0.000 -0.000 0.000) 0.000 4.753 ( -0.000 -0.000 0.000) 0.000 5.155 ( 0.000 0.000 -0.000) 0.000 5.168 ( -0.000 -0.000 0.000) 0.000 5.279 ( -0.000 -0.000 0.000) 0.000 5.581 ( -0.000 -0.000 -0.000) 0.000 5.659 ( -0.000 -0.000 0.000) 0.000 5.758 ( -0.000 -0.000 0.000) 0.000 5.843 ( -0.000 -0.000 0.000) 0.000 6.321 ( -0.000 -0.000 0.000) 0.000 6.409 ( 0.000 0.000 -0.000) 0.000 6.465 ( -0.000 -0.000 0.000) 0.000 6.782 ( -0.000 -0.000 0.000) 0.000 7.155 ( -0.000 -0.000 0.000) 0.000 7.293 ( -0.000 -0.000 0.000) 0.000 7.798 ( -0.000 -0.000 0.000) 0.000 8.544 ( -0.000 -0.000 0.000) 0.000 8.601 ( -0.000 -0.000 -0.000) 0.000 9.167 ( -0.000 -0.000 0.000) 0.000 9.257 ( -0.000 -0.000 -0.000) 0.000 9.389 ( -0.000 -0.000 0.000) 0.000 9.675 ( -0.000 -0.000 -0.000) 0.000 10.022 ( -0.000 -0.000 0.000) 0.000 10.402 ( -0.000 -0.000 0.000) 0.000 10.610 ( -0.000 -0.000 0.000) 0.000 10.747 ( -0.000 -0.000 -0.000) 0.000 11.509 ( -0.000 -0.000 0.000) 0.000 11.718 ( -0.000 -0.000 0.000) 0.000 12.406 ( -0.000 -0.000 0.000) 0.000 12.878 ( -0.000 -0.000 0.000) 0.000 13.198 ( -0.000 -0.000 0.000) 0.000 14.041 ( -0.000 -0.000 0.000) 0.000 14.501 ( -0.000 -0.000 0.000) 0.000 14.540 ( -0.000 -0.000 0.000) 0.000 14.542 ( -0.000 -0.000 0.000) 0.000 15.643 ( -0.000 -0.000 0.000) 0.000 16.200 ( -0.000 -0.000 0.000) 0.000 16.439 ( -0.000 -0.000 0.000) 0.000 17.940 ( -0.000 -0.000 0.000) 0.000 18.423 ( -0.000 -0.000 -0.000) 0.000 20.158 ( -0.000 -0.000 0.000) 0.000 21.322 ( -0.000 -0.000 0.000) 0.000 23.657 ( -0.000 -0.000 -0.000) 0.000 23.680 ( 0.000 0.000 0.000) 0.000 =================== 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 3/36000 10.0 6575.590 4140.290 4093.627 0.000 1140.018 0.000 3/36000 20.0 609.440 539.380 343.337 0.000 63.813 0.000 3/36000 30.0 159.113 151.556 89.470 0.000 12.631 0.000 3/36000 40.0 70.768 69.538 40.944 0.000 4.637 0.000 3/36000 50.0 41.292 41.187 24.529 0.000 2.348 0.000 3/36000 60.0 28.077 28.235 17.013 0.000 1.434 0.000 3/36000 70.0 20.951 21.177 12.880 0.000 0.985 0.000 3/36000 80.0 16.606 16.851 10.320 0.000 0.731 0.000 3/36000 90.0 13.721 13.971 8.598 0.000 0.573 0.000 3/36000 100.0 11.682 11.934 7.368 0.000 0.467 0.000 3/36000 110.0 10.172 10.425 6.450 0.000 0.392 0.000 3/36000 120.0 9.012 9.267 5.741 0.000 0.337 0.000 3/36000 130.0 8.095 8.352 5.177 0.000 0.295 0.000 3/36000 140.0 7.354 7.612 4.719 0.000 0.261 0.000 3/36000 150.0 6.741 7.001 4.340 0.000 0.234 0.000 3/36000 160.0 6.228 6.488 4.021 0.000 0.211 0.000 3/36000 170.0 5.791 6.052 3.749 0.000 0.192 0.000 3/36000 180.0 5.414 5.675 3.515 0.000 0.175 0.000 3/36000 190.0 5.086 5.347 3.310 0.000 0.161 0.000 3/36000 200.0 4.798 5.058 3.130 0.000 0.148 0.000 3/36000 210.0 4.543 4.802 2.971 0.000 0.137 0.000 3/36000 220.0 4.316 4.572 2.828 0.000 0.127 0.000 3/36000 230.0 4.111 4.366 2.700 0.000 0.118 0.000 3/36000 240.0 3.926 4.178 2.585 0.000 0.110 0.000 3/36000 250.0 3.759 4.008 2.479 0.000 0.103 0.000 3/36000 260.0 3.605 3.851 2.383 0.000 0.096 0.000 3/36000 270.0 3.465 3.708 2.294 0.000 0.090 0.000 3/36000 280.0 3.335 3.575 2.213 0.000 0.085 0.000 3/36000 290.0 3.216 3.452 2.137 0.000 0.080 0.000 3/36000 300.0 3.105 3.338 2.067 0.000 0.075 0.000 3/36000 310.0 3.002 3.231 2.002 0.000 0.071 0.000 3/36000 320.0 2.906 3.131 1.941 0.000 0.067 0.000 3/36000 330.0 2.816 3.038 1.884 0.000 0.064 0.000 3/36000 340.0 2.732 2.950 1.830 0.000 0.060 0.000 3/36000 350.0 2.652 2.867 1.780 0.000 0.057 0.000 3/36000 360.0 2.578 2.789 1.732 0.000 0.054 0.000 3/36000 370.0 2.508 2.715 1.687 0.000 0.052 0.000 3/36000 380.0 2.441 2.645 1.644 0.000 0.049 0.000 3/36000 390.0 2.378 2.579 1.604 0.000 0.047 0.000 3/36000 400.0 2.318 2.516 1.565 0.000 0.045 0.000 3/36000 410.0 2.262 2.456 1.529 0.000 0.043 0.000 3/36000 420.0 2.208 2.399 1.494 0.000 0.041 0.000 3/36000 430.0 2.156 2.345 1.460 0.000 0.039 0.000 3/36000 440.0 2.107 2.293 1.429 0.000 0.038 0.000 3/36000 450.0 2.061 2.243 1.398 0.000 0.036 0.000 3/36000 460.0 2.016 2.195 1.369 0.000 0.035 0.000 3/36000 470.0 1.973 2.150 1.341 0.000 0.034 0.000 3/36000 480.0 1.932 2.106 1.314 0.000 0.032 0.000 3/36000 490.0 1.893 2.064 1.289 0.000 0.031 0.000 3/36000 500.0 1.855 2.024 1.264 0.000 0.030 0.000 3/36000 510.0 1.819 1.985 1.240 0.000 0.029 0.000 3/36000 520.0 1.784 1.947 1.217 0.000 0.028 0.000 3/36000 530.0 1.751 1.912 1.195 0.000 0.027 0.000 3/36000 540.0 1.719 1.877 1.174 0.000 0.026 0.000 3/36000 550.0 1.688 1.844 1.153 0.000 0.025 0.000 3/36000 560.0 1.658 1.811 1.134 0.000 0.025 0.000 3/36000 570.0 1.629 1.780 1.114 0.000 0.024 0.000 3/36000 580.0 1.601 1.750 1.096 0.000 0.023 0.000 3/36000 590.0 1.574 1.721 1.078 0.000 0.022 0.000 3/36000 600.0 1.548 1.693 1.061 0.000 0.022 0.000 3/36000 610.0 1.523 1.666 1.044 0.000 0.021 0.000 3/36000 620.0 1.498 1.639 1.028 0.000 0.021 0.000 3/36000 630.0 1.475 1.614 1.012 0.000 0.020 0.000 3/36000 640.0 1.452 1.589 0.997 0.000 0.019 0.000 3/36000 650.0 1.430 1.565 0.982 0.000 0.019 0.000 3/36000 660.0 1.408 1.542 0.967 0.000 0.018 0.000 3/36000 670.0 1.387 1.519 0.954 0.000 0.018 0.000 3/36000 680.0 1.367 1.497 0.940 0.000 0.018 0.000 3/36000 690.0 1.347 1.476 0.927 0.000 0.017 0.000 3/36000 700.0 1.328 1.455 0.914 0.000 0.017 0.000 3/36000 710.0 1.310 1.435 0.901 0.000 0.016 0.000 3/36000 720.0 1.292 1.415 0.889 0.000 0.016 0.000 3/36000 730.0 1.274 1.396 0.877 0.000 0.016 0.000 3/36000 740.0 1.257 1.378 0.866 0.000 0.015 0.000 3/36000 750.0 1.240 1.360 0.855 0.000 0.015 0.000 3/36000 760.0 1.224 1.342 0.844 0.000 0.015 0.000 3/36000 770.0 1.208 1.325 0.833 0.000 0.014 0.000 3/36000 780.0 1.193 1.308 0.823 0.000 0.014 0.000 3/36000 790.0 1.178 1.292 0.813 0.000 0.014 0.000 3/36000 800.0 1.163 1.276 0.803 0.000 0.014 0.000 3/36000 810.0 1.149 1.260 0.793 0.000 0.013 0.000 3/36000 820.0 1.135 1.245 0.784 0.000 0.013 0.000 3/36000 830.0 1.121 1.230 0.774 0.000 0.013 0.000 3/36000 840.0 1.108 1.216 0.765 0.000 0.013 0.000 3/36000 850.0 1.095 1.202 0.757 0.000 0.012 0.000 3/36000 860.0 1.083 1.188 0.748 0.000 0.012 0.000 3/36000 870.0 1.070 1.175 0.740 0.000 0.012 0.000 3/36000 880.0 1.058 1.161 0.731 0.000 0.012 0.000 3/36000 890.0 1.046 1.149 0.723 0.000 0.011 0.000 3/36000 900.0 1.035 1.136 0.715 0.000 0.011 0.000 3/36000 910.0 1.023 1.124 0.708 0.000 0.011 0.000 3/36000 920.0 1.012 1.111 0.700 0.000 0.011 0.000 3/36000 930.0 1.002 1.100 0.693 0.000 0.011 0.000 3/36000 940.0 0.991 1.088 0.686 0.000 0.011 0.000 3/36000 950.0 0.981 1.077 0.679 0.000 0.010 0.000 3/36000 960.0 0.970 1.066 0.672 0.000 0.010 0.000 3/36000 970.0 0.960 1.055 0.665 0.000 0.010 0.000 3/36000 980.0 0.951 1.044 0.658 0.000 0.010 0.000 3/36000 990.0 0.941 1.034 0.652 0.000 0.010 0.000 3/36000 1000.0 0.932 1.023 0.645 0.000 0.010 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:00:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|