----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:33:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 6.310642925065969 -2.812352665000000 0.000000000000000 b 6.310642925065969 2.812352665000000 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): *1 Nd 0.60152449122190 0.60152449122190 0.73255399452846 144.242 *2 Nd 0.29156046853754 0.29156046853754 0.60613009105884 144.242 3 Nd 0.39847550877810 0.39847550877810 0.26744600547154 144.242 4 Nd 0.70843953146246 0.70843953146246 0.39386990894116 144.242 *5 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 *6 Te 0.08279593006001 0.08279593006001 0.16781700837680 127.600 7 Te 0.91720406993999 0.91720406993999 0.83218299162320 127.600 *8 Cl 0.15798255495349 0.15798255495349 0.84980129175658 35.453 9 Cl 0.84201744504651 0.84201744504651 0.15019870824342 35.453 *10 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 *11 O 0.60042034196940 0.10727008941322 0.44124561714745 15.999 12 O 0.89272991058678 0.39957965803060 0.55875438285255 15.999 *13 O 0.70348814536785 0.19031433430398 0.70402863345485 15.999 14 O 0.10727008941322 0.60042034196940 0.44124561714745 15.999 15 O 0.80968566569602 0.29651185463215 0.29597136654515 15.999 16 O 0.39957965803060 0.89272991058678 0.55875438285255 15.999 17 O 0.19031433430398 0.70348814536785 0.70402863345485 15.999 *18 O 0.77373271736255 0.77373271736255 0.79258906336910 15.999 19 O 0.29651185463215 0.80968566569602 0.29597136654515 15.999 20 O 0.22626728263745 0.22626728263745 0.20741093663090 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.621285850131938 0.000000000000000 0.000000000000000 b 0.000000000000000 5.624705330000000 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): *1 Nd 0.10152449122190 0.50000000000000 0.73255399452846 144.242 > 1 *2 Nd 0.29156046853754 0.00000000000000 0.60613009105884 144.242 > 2 3 Nd 0.39847550877810 0.00000000000000 0.26744600547154 144.242 > 3 4 Nd 0.20843953146246 0.50000000000000 0.39386990894116 144.242 > 4 *5 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 5 6 Nd 0.60152449122190 0.00000000000000 0.73255399452846 144.242 > 1 7 Nd 0.79156046853754 0.50000000000000 0.60613009105884 144.242 > 2 8 Nd 0.89847550877810 0.50000000000000 0.26744600547154 144.242 > 3 9 Nd 0.70843953146246 0.00000000000000 0.39386990894116 144.242 > 4 10 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 5 *11 Te 0.08279593006001 0.00000000000000 0.16781700837680 127.600 > 6 12 Te 0.41720406993999 0.50000000000000 0.83218299162320 127.600 > 7 13 Te 0.58279593006001 0.50000000000000 0.16781700837680 127.600 > 6 14 Te 0.91720406993999 0.00000000000000 0.83218299162320 127.600 > 7 *15 Cl 0.15798255495349 0.00000000000000 0.84980129175658 35.453 > 8 16 Cl 0.34201744504651 0.50000000000000 0.15019870824342 35.453 > 9 *17 Cl 0.00000000000000 0.50000000000000 0.00000000000000 35.453 > 10 18 Cl 0.65798255495349 0.50000000000000 0.84980129175658 35.453 > 8 19 Cl 0.84201744504651 0.00000000000000 0.15019870824342 35.453 > 9 20 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 10 *21 O 0.35384521569131 0.75342487372191 0.44124561714745 15.999 > 11 22 O 0.14615478430869 0.25342487372191 0.55875438285255 15.999 > 12 *23 O 0.44690123983591 0.74341309446807 0.70402863345485 15.999 > 13 24 O 0.35384521569131 0.24657512627809 0.44124561714745 15.999 > 14 25 O 0.05309876016409 0.24341309446807 0.29597136654515 15.999 > 15 26 O 0.14615478430869 0.74657512627809 0.55875438285255 15.999 > 16 27 O 0.44690123983591 0.25658690553193 0.70402863345485 15.999 > 17 *28 O 0.27373271736255 0.50000000000000 0.79258906336910 15.999 > 18 29 O 0.05309876016409 0.75658690553193 0.29597136654515 15.999 > 19 30 O 0.22626728263745 0.00000000000000 0.20741093663090 15.999 > 20 31 O 0.85384521569131 0.25342487372191 0.44124561714745 15.999 > 11 32 O 0.64615478430869 0.75342487372191 0.55875438285255 15.999 > 12 33 O 0.94690123983591 0.24341309446807 0.70402863345485 15.999 > 13 34 O 0.85384521569131 0.74657512627809 0.44124561714745 15.999 > 14 35 O 0.55309876016409 0.74341309446807 0.29597136654515 15.999 > 15 36 O 0.64615478430869 0.24657512627809 0.55875438285255 15.999 > 16 37 O 0.94690123983591 0.75658690553193 0.70402863345485 15.999 > 17 38 O 0.77373271736255 0.00000000000000 0.79258906336910 15.999 > 18 39 O 0.55309876016409 0.25658690553193 0.29597136654515 15.999 > 19 40 O 0.72626728263745 0.50000000000000 0.20741093663090 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.621285850131938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.249410660000001 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): *1 Nd 0.10152449122190 0.25000000000000 0.73255399452846 144.242 > 1 2 Nd 0.10152449122190 0.75000000000000 0.73255399452846 144.242 > 1 *3 Nd 0.29156046853754 0.00000000000000 0.60613009105884 144.242 > 2 4 Nd 0.29156046853754 0.50000000000000 0.60613009105884 144.242 > 2 5 Nd 0.39847550877810 0.00000000000000 0.26744600547154 144.242 > 3 6 Nd 0.39847550877810 0.50000000000000 0.26744600547154 144.242 > 3 7 Nd 0.20843953146246 0.25000000000000 0.39386990894116 144.242 > 4 8 Nd 0.20843953146246 0.75000000000000 0.39386990894116 144.242 > 4 *9 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 5 10 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 5 11 Nd 0.60152449122190 0.00000000000000 0.73255399452846 144.242 > 1 12 Nd 0.60152449122190 0.50000000000000 0.73255399452846 144.242 > 1 13 Nd 0.79156046853754 0.25000000000000 0.60613009105884 144.242 > 2 14 Nd 0.79156046853754 0.75000000000000 0.60613009105884 144.242 > 2 15 Nd 0.89847550877810 0.25000000000000 0.26744600547154 144.242 > 3 16 Nd 0.89847550877810 0.75000000000000 0.26744600547154 144.242 > 3 17 Nd 0.70843953146246 0.00000000000000 0.39386990894116 144.242 > 4 18 Nd 0.70843953146246 0.50000000000000 0.39386990894116 144.242 > 4 19 Nd 0.50000000000000 0.25000000000000 0.50000000000000 144.242 > 5 20 Nd 0.50000000000000 0.75000000000000 0.50000000000000 144.242 > 5 *21 Te 0.08279593006001 0.00000000000000 0.16781700837680 127.600 > 6 22 Te 0.08279593006001 0.50000000000000 0.16781700837680 127.600 > 6 23 Te 0.41720406993999 0.25000000000000 0.83218299162320 127.600 > 7 24 Te 0.41720406993999 0.75000000000000 0.83218299162320 127.600 > 7 25 Te 0.58279593006001 0.25000000000000 0.16781700837680 127.600 > 6 26 Te 0.58279593006001 0.75000000000000 0.16781700837680 127.600 > 6 27 Te 0.91720406993999 0.00000000000000 0.83218299162320 127.600 > 7 28 Te 0.91720406993999 0.50000000000000 0.83218299162320 127.600 > 7 *29 Cl 0.15798255495349 0.00000000000000 0.84980129175658 35.453 > 8 30 Cl 0.15798255495349 0.50000000000000 0.84980129175658 35.453 > 8 31 Cl 0.34201744504651 0.25000000000000 0.15019870824342 35.453 > 9 32 Cl 0.34201744504651 0.75000000000000 0.15019870824342 35.453 > 9 *33 Cl 0.00000000000000 0.25000000000000 0.00000000000000 35.453 > 10 34 Cl 0.00000000000000 0.75000000000000 0.00000000000000 35.453 > 10 35 Cl 0.65798255495349 0.25000000000000 0.84980129175658 35.453 > 8 36 Cl 0.65798255495349 0.75000000000000 0.84980129175658 35.453 > 8 37 Cl 0.84201744504651 0.00000000000000 0.15019870824342 35.453 > 9 38 Cl 0.84201744504651 0.50000000000000 0.15019870824342 35.453 > 9 39 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 10 40 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 10 *41 O 0.35384521569131 0.37671243686095 0.44124561714745 15.999 > 11 42 O 0.35384521569131 0.87671243686095 0.44124561714745 15.999 > 11 43 O 0.14615478430869 0.12671243686095 0.55875438285255 15.999 > 12 44 O 0.14615478430869 0.62671243686095 0.55875438285255 15.999 > 12 *45 O 0.44690123983591 0.37170654723403 0.70402863345485 15.999 > 13 46 O 0.44690123983591 0.87170654723403 0.70402863345485 15.999 > 13 47 O 0.35384521569131 0.12328756313905 0.44124561714745 15.999 > 14 48 O 0.35384521569131 0.62328756313905 0.44124561714745 15.999 > 14 49 O 0.05309876016409 0.12170654723403 0.29597136654515 15.999 > 15 50 O 0.05309876016409 0.62170654723403 0.29597136654515 15.999 > 15 51 O 0.14615478430869 0.37328756313905 0.55875438285255 15.999 > 16 52 O 0.14615478430869 0.87328756313905 0.55875438285255 15.999 > 16 53 O 0.44690123983591 0.12829345276597 0.70402863345485 15.999 > 17 54 O 0.44690123983591 0.62829345276597 0.70402863345485 15.999 > 17 *55 O 0.27373271736255 0.25000000000000 0.79258906336910 15.999 > 18 56 O 0.27373271736255 0.75000000000000 0.79258906336910 15.999 > 18 57 O 0.05309876016409 0.37829345276597 0.29597136654515 15.999 > 19 58 O 0.05309876016409 0.87829345276597 0.29597136654515 15.999 > 19 59 O 0.22626728263745 0.00000000000000 0.20741093663090 15.999 > 20 60 O 0.22626728263745 0.50000000000000 0.20741093663090 15.999 > 20 61 O 0.85384521569131 0.12671243686095 0.44124561714745 15.999 > 11 62 O 0.85384521569131 0.62671243686095 0.44124561714745 15.999 > 11 63 O 0.64615478430869 0.37671243686095 0.55875438285255 15.999 > 12 64 O 0.64615478430869 0.87671243686095 0.55875438285255 15.999 > 12 65 O 0.94690123983591 0.12170654723403 0.70402863345485 15.999 > 13 66 O 0.94690123983591 0.62170654723403 0.70402863345485 15.999 > 13 67 O 0.85384521569131 0.37328756313905 0.44124561714745 15.999 > 14 68 O 0.85384521569131 0.87328756313905 0.44124561714745 15.999 > 14 69 O 0.55309876016409 0.37170654723403 0.29597136654515 15.999 > 15 70 O 0.55309876016409 0.87170654723403 0.29597136654515 15.999 > 15 71 O 0.64615478430869 0.12328756313905 0.55875438285255 15.999 > 16 72 O 0.64615478430869 0.62328756313905 0.55875438285255 15.999 > 16 73 O 0.94690123983591 0.37829345276597 0.70402863345485 15.999 > 17 74 O 0.94690123983591 0.87829345276597 0.70402863345485 15.999 > 17 75 O 0.77373271736255 0.00000000000000 0.79258906336910 15.999 > 18 76 O 0.77373271736255 0.50000000000000 0.79258906336910 15.999 > 18 77 O 0.55309876016409 0.12829345276597 0.29597136654515 15.999 > 19 78 O 0.55309876016409 0.62829345276597 0.29597136654515 15.999 > 19 79 O 0.72626728263745 0.25000000000000 0.20741093663090 15.999 > 20 80 O 0.72626728263745 0.75000000000000 0.20741093663090 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4030683 0.0000000 -0.1636307 0.0000000 4.2296599 0.0000000 -0.1636296 0.0000000 4.0634374 -------------------------- Born effective charges -------------------------- 1 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 2 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 3 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 4 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 5 Nd 4.6977560 -0.0000000 0.3670292 0.0000000 3.4540515 0.0000000 0.2010207 0.0000000 3.9241272 6 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 7 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 8 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 9 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 10 Cl -0.9450963 -0.0000000 0.3426916 0.0000000 -1.7003373 0.0000000 0.2687858 0.0000000 -2.0915849 11 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 12 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 13 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 14 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 15 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 16 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 17 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 18 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 19 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 20 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 ---------------------------------------------------------------------------- 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: 8502/8502 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1937 Number of blocks in projector: 1937 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: 478 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 269 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 269 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 269 Use standard eigh solver. Tree of FC basis block matrices: - (1937, 1885), data: False |-- (269, 260), data: True |-- (269, 260), data: True |-- (269, 260), data: True |-- (326, 322), data: True |-- (326, 322), data: True |-- (478, 461), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.308 Solver_block: 200 / 640 - Time: 2.269 Solver_block: 300 / 640 - Time: 2.258 Solver_block: 400 / 640 - Time: 2.232 Solver_block: 500 / 640 - Time: 2.220 Solver_block: 600 / 640 - Time: 2.249 Solver_block: 640 / 640 - Time: 0.981 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.815 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8502/8502 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1937 Number of blocks in projector: 1937 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: 478 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 269 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 269 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 269 Use standard eigh solver. Tree of FC basis block matrices: - (1937, 1885), data: False |-- (269, 260), data: True |-- (269, 260), data: True |-- (269, 260), data: True |-- (326, 322), data: True |-- (326, 322), data: True |-- (478, 461), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:34:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:34:06]------------------------- 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 6.310642925065969 -2.812352665000000 0.000000000000000 b 6.310642925065969 2.812352665000000 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): 1 Nd 0.60152449122190 0.60152449122190 0.73255399452846 144.242 2 Nd 0.29156046853754 0.29156046853754 0.60613009105884 144.242 3 Nd 0.39847550877810 0.39847550877810 0.26744600547154 144.242 4 Nd 0.70843953146246 0.70843953146246 0.39386990894116 144.242 5 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 6 Te 0.08279593006001 0.08279593006001 0.16781700837680 127.600 7 Te 0.91720406993999 0.91720406993999 0.83218299162320 127.600 8 Cl 0.15798255495349 0.15798255495349 0.84980129175658 35.453 9 Cl 0.84201744504651 0.84201744504651 0.15019870824342 35.453 10 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 11 O 0.60042034196940 0.10727008941322 0.44124561714745 15.999 12 O 0.89272991058678 0.39957965803060 0.55875438285255 15.999 13 O 0.70348814536785 0.19031433430398 0.70402863345485 15.999 14 O 0.10727008941322 0.60042034196940 0.44124561714745 15.999 15 O 0.80968566569602 0.29651185463215 0.29597136654515 15.999 16 O 0.39957965803060 0.89272991058678 0.55875438285255 15.999 17 O 0.19031433430398 0.70348814536785 0.70402863345485 15.999 18 O 0.77373271736255 0.77373271736255 0.79258906336910 15.999 19 O 0.29651185463215 0.80968566569602 0.29597136654515 15.999 20 O 0.22626728263745 0.22626728263745 0.20741093663090 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.621285850131938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.249410660000001 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): 1 Nd 0.10152449122190 0.25000000000000 0.73255399452846 144.242 > 1 2 Nd 0.10152449122190 0.75000000000000 0.73255399452846 144.242 > 1 3 Nd 0.29156046853754 0.00000000000000 0.60613009105884 144.242 > 3 4 Nd 0.29156046853754 0.50000000000000 0.60613009105884 144.242 > 3 5 Nd 0.39847550877810 0.00000000000000 0.26744600547154 144.242 > 5 6 Nd 0.39847550877810 0.50000000000000 0.26744600547154 144.242 > 5 7 Nd 0.20843953146246 0.25000000000000 0.39386990894116 144.242 > 7 8 Nd 0.20843953146246 0.75000000000000 0.39386990894116 144.242 > 7 9 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 9 10 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 9 11 Nd 0.60152449122190 0.00000000000000 0.73255399452846 144.242 > 1 12 Nd 0.60152449122190 0.50000000000000 0.73255399452846 144.242 > 1 13 Nd 0.79156046853754 0.25000000000000 0.60613009105884 144.242 > 3 14 Nd 0.79156046853754 0.75000000000000 0.60613009105884 144.242 > 3 15 Nd 0.89847550877810 0.25000000000000 0.26744600547154 144.242 > 5 16 Nd 0.89847550877810 0.75000000000000 0.26744600547154 144.242 > 5 17 Nd 0.70843953146246 0.00000000000000 0.39386990894116 144.242 > 7 18 Nd 0.70843953146246 0.50000000000000 0.39386990894116 144.242 > 7 19 Nd 0.50000000000000 0.25000000000000 0.50000000000000 144.242 > 9 20 Nd 0.50000000000000 0.75000000000000 0.50000000000000 144.242 > 9 21 Te 0.08279593006001 0.00000000000000 0.16781700837680 127.600 > 21 22 Te 0.08279593006001 0.50000000000000 0.16781700837680 127.600 > 21 23 Te 0.41720406993999 0.25000000000000 0.83218299162320 127.600 > 23 24 Te 0.41720406993999 0.75000000000000 0.83218299162320 127.600 > 23 25 Te 0.58279593006001 0.25000000000000 0.16781700837680 127.600 > 21 26 Te 0.58279593006001 0.75000000000000 0.16781700837680 127.600 > 21 27 Te 0.91720406993999 0.00000000000000 0.83218299162320 127.600 > 23 28 Te 0.91720406993999 0.50000000000000 0.83218299162320 127.600 > 23 29 Cl 0.15798255495349 0.00000000000000 0.84980129175658 35.453 > 29 30 Cl 0.15798255495349 0.50000000000000 0.84980129175658 35.453 > 29 31 Cl 0.34201744504651 0.25000000000000 0.15019870824342 35.453 > 31 32 Cl 0.34201744504651 0.75000000000000 0.15019870824342 35.453 > 31 33 Cl 0.00000000000000 0.25000000000000 0.00000000000000 35.453 > 33 34 Cl 0.00000000000000 0.75000000000000 0.00000000000000 35.453 > 33 35 Cl 0.65798255495349 0.25000000000000 0.84980129175658 35.453 > 29 36 Cl 0.65798255495349 0.75000000000000 0.84980129175658 35.453 > 29 37 Cl 0.84201744504651 0.00000000000000 0.15019870824342 35.453 > 31 38 Cl 0.84201744504651 0.50000000000000 0.15019870824342 35.453 > 31 39 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 33 40 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 33 41 O 0.35384521569131 0.37671243686095 0.44124561714745 15.999 > 41 42 O 0.35384521569131 0.87671243686095 0.44124561714745 15.999 > 41 43 O 0.14615478430869 0.12671243686095 0.55875438285255 15.999 > 43 44 O 0.14615478430869 0.62671243686095 0.55875438285255 15.999 > 43 45 O 0.44690123983591 0.37170654723403 0.70402863345485 15.999 > 45 46 O 0.44690123983591 0.87170654723403 0.70402863345485 15.999 > 45 47 O 0.35384521569131 0.12328756313905 0.44124561714745 15.999 > 47 48 O 0.35384521569131 0.62328756313905 0.44124561714745 15.999 > 47 49 O 0.05309876016409 0.12170654723403 0.29597136654515 15.999 > 49 50 O 0.05309876016409 0.62170654723403 0.29597136654515 15.999 > 49 51 O 0.14615478430869 0.37328756313905 0.55875438285255 15.999 > 51 52 O 0.14615478430869 0.87328756313905 0.55875438285255 15.999 > 51 53 O 0.44690123983591 0.12829345276597 0.70402863345485 15.999 > 53 54 O 0.44690123983591 0.62829345276597 0.70402863345485 15.999 > 53 55 O 0.27373271736255 0.25000000000000 0.79258906336910 15.999 > 55 56 O 0.27373271736255 0.75000000000000 0.79258906336910 15.999 > 55 57 O 0.05309876016409 0.37829345276597 0.29597136654515 15.999 > 57 58 O 0.05309876016409 0.87829345276597 0.29597136654515 15.999 > 57 59 O 0.22626728263745 0.00000000000000 0.20741093663090 15.999 > 59 60 O 0.22626728263745 0.50000000000000 0.20741093663090 15.999 > 59 61 O 0.85384521569131 0.12671243686095 0.44124561714745 15.999 > 41 62 O 0.85384521569131 0.62671243686095 0.44124561714745 15.999 > 41 63 O 0.64615478430869 0.37671243686095 0.55875438285255 15.999 > 43 64 O 0.64615478430869 0.87671243686095 0.55875438285255 15.999 > 43 65 O 0.94690123983591 0.12170654723403 0.70402863345485 15.999 > 45 66 O 0.94690123983591 0.62170654723403 0.70402863345485 15.999 > 45 67 O 0.85384521569131 0.37328756313905 0.44124561714745 15.999 > 47 68 O 0.85384521569131 0.87328756313905 0.44124561714745 15.999 > 47 69 O 0.55309876016409 0.37170654723403 0.29597136654515 15.999 > 49 70 O 0.55309876016409 0.87170654723403 0.29597136654515 15.999 > 49 71 O 0.64615478430869 0.12328756313905 0.55875438285255 15.999 > 51 72 O 0.64615478430869 0.62328756313905 0.55875438285255 15.999 > 51 73 O 0.94690123983591 0.37829345276597 0.70402863345485 15.999 > 53 74 O 0.94690123983591 0.87829345276597 0.70402863345485 15.999 > 53 75 O 0.77373271736255 0.00000000000000 0.79258906336910 15.999 > 55 76 O 0.77373271736255 0.50000000000000 0.79258906336910 15.999 > 55 77 O 0.55309876016409 0.12829345276597 0.29597136654515 15.999 > 57 78 O 0.55309876016409 0.62829345276597 0.29597136654515 15.999 > 57 79 O 0.72626728263745 0.25000000000000 0.20741093663090 15.999 > 59 80 O 0.72626728263745 0.75000000000000 0.20741093663090 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4030683 0.0000000 -0.1636307 0.0000000 4.2296599 0.0000000 -0.1636296 0.0000000 4.0634374 -------------------------- Born effective charges -------------------------- 1 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 2 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 3 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 4 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 5 Nd 4.6977560 -0.0000000 0.3670292 0.0000000 3.4540515 0.0000000 0.2010207 0.0000000 3.9241272 6 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 7 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 8 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 9 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 10 Cl -0.9450963 -0.0000000 0.3426916 0.0000000 -1.7003373 0.0000000 0.2687858 0.0000000 -2.0915849 11 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 12 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 13 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 14 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 15 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 16 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 17 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 18 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 19 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 20 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 3, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 21, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:34:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:34:24]------------------------- 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 6.310642925065969 -2.812352665000000 0.000000000000000 b 6.310642925065969 2.812352665000000 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): 1 Nd 0.60152449122190 0.60152449122190 0.73255399452846 144.242 2 Nd 0.29156046853754 0.29156046853754 0.60613009105884 144.242 3 Nd 0.39847550877810 0.39847550877810 0.26744600547154 144.242 4 Nd 0.70843953146246 0.70843953146246 0.39386990894116 144.242 5 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 6 Te 0.08279593006001 0.08279593006001 0.16781700837680 127.600 7 Te 0.91720406993999 0.91720406993999 0.83218299162320 127.600 8 Cl 0.15798255495349 0.15798255495349 0.84980129175658 35.453 9 Cl 0.84201744504651 0.84201744504651 0.15019870824342 35.453 10 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 11 O 0.60042034196940 0.10727008941322 0.44124561714745 15.999 12 O 0.89272991058678 0.39957965803060 0.55875438285255 15.999 13 O 0.70348814536785 0.19031433430398 0.70402863345485 15.999 14 O 0.10727008941322 0.60042034196940 0.44124561714745 15.999 15 O 0.80968566569602 0.29651185463215 0.29597136654515 15.999 16 O 0.39957965803060 0.89272991058678 0.55875438285255 15.999 17 O 0.19031433430398 0.70348814536785 0.70402863345485 15.999 18 O 0.77373271736255 0.77373271736255 0.79258906336910 15.999 19 O 0.29651185463215 0.80968566569602 0.29597136654515 15.999 20 O 0.22626728263745 0.22626728263745 0.20741093663090 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.621285850131938 0.000000000000000 0.000000000000000 b 0.000000000000000 11.249410660000001 0.000000000000000 c -0.079074066909498 0.000000000000000 10.063149861666167 Atomic positions (fractional): 1 Nd 0.10152449122190 0.25000000000000 0.73255399452846 144.242 > 1 2 Nd 0.10152449122190 0.75000000000000 0.73255399452846 144.242 > 1 3 Nd 0.29156046853754 0.00000000000000 0.60613009105884 144.242 > 3 4 Nd 0.29156046853754 0.50000000000000 0.60613009105884 144.242 > 3 5 Nd 0.39847550877810 0.00000000000000 0.26744600547154 144.242 > 5 6 Nd 0.39847550877810 0.50000000000000 0.26744600547154 144.242 > 5 7 Nd 0.20843953146246 0.25000000000000 0.39386990894116 144.242 > 7 8 Nd 0.20843953146246 0.75000000000000 0.39386990894116 144.242 > 7 9 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 9 10 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 9 11 Nd 0.60152449122190 0.00000000000000 0.73255399452846 144.242 > 1 12 Nd 0.60152449122190 0.50000000000000 0.73255399452846 144.242 > 1 13 Nd 0.79156046853754 0.25000000000000 0.60613009105884 144.242 > 3 14 Nd 0.79156046853754 0.75000000000000 0.60613009105884 144.242 > 3 15 Nd 0.89847550877810 0.25000000000000 0.26744600547154 144.242 > 5 16 Nd 0.89847550877810 0.75000000000000 0.26744600547154 144.242 > 5 17 Nd 0.70843953146246 0.00000000000000 0.39386990894116 144.242 > 7 18 Nd 0.70843953146246 0.50000000000000 0.39386990894116 144.242 > 7 19 Nd 0.50000000000000 0.25000000000000 0.50000000000000 144.242 > 9 20 Nd 0.50000000000000 0.75000000000000 0.50000000000000 144.242 > 9 21 Te 0.08279593006001 0.00000000000000 0.16781700837680 127.600 > 21 22 Te 0.08279593006001 0.50000000000000 0.16781700837680 127.600 > 21 23 Te 0.41720406993999 0.25000000000000 0.83218299162320 127.600 > 23 24 Te 0.41720406993999 0.75000000000000 0.83218299162320 127.600 > 23 25 Te 0.58279593006001 0.25000000000000 0.16781700837680 127.600 > 21 26 Te 0.58279593006001 0.75000000000000 0.16781700837680 127.600 > 21 27 Te 0.91720406993999 0.00000000000000 0.83218299162320 127.600 > 23 28 Te 0.91720406993999 0.50000000000000 0.83218299162320 127.600 > 23 29 Cl 0.15798255495349 0.00000000000000 0.84980129175658 35.453 > 29 30 Cl 0.15798255495349 0.50000000000000 0.84980129175658 35.453 > 29 31 Cl 0.34201744504651 0.25000000000000 0.15019870824342 35.453 > 31 32 Cl 0.34201744504651 0.75000000000000 0.15019870824342 35.453 > 31 33 Cl 0.00000000000000 0.25000000000000 0.00000000000000 35.453 > 33 34 Cl 0.00000000000000 0.75000000000000 0.00000000000000 35.453 > 33 35 Cl 0.65798255495349 0.25000000000000 0.84980129175658 35.453 > 29 36 Cl 0.65798255495349 0.75000000000000 0.84980129175658 35.453 > 29 37 Cl 0.84201744504651 0.00000000000000 0.15019870824342 35.453 > 31 38 Cl 0.84201744504651 0.50000000000000 0.15019870824342 35.453 > 31 39 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 33 40 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 33 41 O 0.35384521569131 0.37671243686095 0.44124561714745 15.999 > 41 42 O 0.35384521569131 0.87671243686095 0.44124561714745 15.999 > 41 43 O 0.14615478430869 0.12671243686095 0.55875438285255 15.999 > 43 44 O 0.14615478430869 0.62671243686095 0.55875438285255 15.999 > 43 45 O 0.44690123983591 0.37170654723403 0.70402863345485 15.999 > 45 46 O 0.44690123983591 0.87170654723403 0.70402863345485 15.999 > 45 47 O 0.35384521569131 0.12328756313905 0.44124561714745 15.999 > 47 48 O 0.35384521569131 0.62328756313905 0.44124561714745 15.999 > 47 49 O 0.05309876016409 0.12170654723403 0.29597136654515 15.999 > 49 50 O 0.05309876016409 0.62170654723403 0.29597136654515 15.999 > 49 51 O 0.14615478430869 0.37328756313905 0.55875438285255 15.999 > 51 52 O 0.14615478430869 0.87328756313905 0.55875438285255 15.999 > 51 53 O 0.44690123983591 0.12829345276597 0.70402863345485 15.999 > 53 54 O 0.44690123983591 0.62829345276597 0.70402863345485 15.999 > 53 55 O 0.27373271736255 0.25000000000000 0.79258906336910 15.999 > 55 56 O 0.27373271736255 0.75000000000000 0.79258906336910 15.999 > 55 57 O 0.05309876016409 0.37829345276597 0.29597136654515 15.999 > 57 58 O 0.05309876016409 0.87829345276597 0.29597136654515 15.999 > 57 59 O 0.22626728263745 0.00000000000000 0.20741093663090 15.999 > 59 60 O 0.22626728263745 0.50000000000000 0.20741093663090 15.999 > 59 61 O 0.85384521569131 0.12671243686095 0.44124561714745 15.999 > 41 62 O 0.85384521569131 0.62671243686095 0.44124561714745 15.999 > 41 63 O 0.64615478430869 0.37671243686095 0.55875438285255 15.999 > 43 64 O 0.64615478430869 0.87671243686095 0.55875438285255 15.999 > 43 65 O 0.94690123983591 0.12170654723403 0.70402863345485 15.999 > 45 66 O 0.94690123983591 0.62170654723403 0.70402863345485 15.999 > 45 67 O 0.85384521569131 0.37328756313905 0.44124561714745 15.999 > 47 68 O 0.85384521569131 0.87328756313905 0.44124561714745 15.999 > 47 69 O 0.55309876016409 0.37170654723403 0.29597136654515 15.999 > 49 70 O 0.55309876016409 0.87170654723403 0.29597136654515 15.999 > 49 71 O 0.64615478430869 0.12328756313905 0.55875438285255 15.999 > 51 72 O 0.64615478430869 0.62328756313905 0.55875438285255 15.999 > 51 73 O 0.94690123983591 0.37829345276597 0.70402863345485 15.999 > 53 74 O 0.94690123983591 0.87829345276597 0.70402863345485 15.999 > 53 75 O 0.77373271736255 0.00000000000000 0.79258906336910 15.999 > 55 76 O 0.77373271736255 0.50000000000000 0.79258906336910 15.999 > 55 77 O 0.55309876016409 0.12829345276597 0.29597136654515 15.999 > 57 78 O 0.55309876016409 0.62829345276597 0.29597136654515 15.999 > 57 79 O 0.72626728263745 0.25000000000000 0.20741093663090 15.999 > 59 80 O 0.72626728263745 0.75000000000000 0.20741093663090 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4030683 0.0000000 -0.1636307 0.0000000 4.2296599 0.0000000 -0.1636296 0.0000000 4.0634374 -------------------------- Born effective charges -------------------------- 1 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 2 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 3 Nd 4.4770118 -0.0000000 -0.2405281 0.0000000 4.2334717 0.0000000 -0.6025363 0.0000000 3.6099394 4 Nd 4.0479305 -0.0000000 -0.3475078 0.0000000 4.2074573 0.0000000 -0.2222802 0.0000000 3.2334891 5 Nd 4.6977560 -0.0000000 0.3670292 0.0000000 3.4540515 0.0000000 0.2010207 0.0000000 3.9241272 6 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 7 Te 4.2474727 -0.0000000 -0.1664463 0.0000000 3.3746259 0.0000000 0.0745743 0.0000000 3.4734784 8 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 9 Cl -1.6672852 -0.0000000 0.4623235 0.0000000 -1.2625402 0.0000000 0.3269509 0.0000000 -1.4322147 10 Cl -0.9450963 -0.0000000 0.3426916 0.0000000 -1.7003373 0.0000000 0.2687858 0.0000000 -2.0915849 11 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 12 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 13 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 14 O -2.5525259 -0.2185321 0.2172210 -0.0758492 -2.7781340 -0.0517702 0.2408198 -0.0765544 -2.3020276 15 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 16 O -2.5525259 0.2185321 0.2172210 0.0758492 -2.7781340 0.0517702 0.2408198 0.0765544 -2.3020276 17 O -1.9063843 0.4219547 0.2583281 0.3075784 -2.3874459 -0.7695164 0.0067037 -0.3877456 -2.0340270 18 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 19 O -1.9063843 -0.4219547 0.2583281 -0.3075784 -2.3874459 0.7695164 0.0067037 0.3877456 -2.0340270 20 O -4.0636393 -0.0000000 -1.0138001 0.0000000 -1.0987117 0.0000000 -0.3066589 0.0000000 -1.1288540 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.59, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.567 ( 0.000 0.000 0.000) 0.000 11.001 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 15.688 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 0.000) 0.000 16.120 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 19.753 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 24.413 ( 0.000 0.000 0.000) 0.000 24.534 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 8.958 -15.393 -9.573) 20.220 0.532 ( 6.555 -24.159 1.822) 25.098 0.952 ( 23.582 -40.552 -3.574) 47.046 1.332 ( -3.060 -9.125 1.793) 9.790 1.785 ( -17.192 -15.076 1.547) 22.918 2.082 ( 3.718 -4.868 3.795) 7.206 2.155 ( 4.155 -1.736 -1.803) 4.851 2.820 ( -5.463 -4.250 -4.329) 8.164 2.913 ( -1.953 -2.970 0.604) 3.606 2.934 ( -3.982 -4.862 4.468) 7.711 3.071 ( -2.819 7.422 1.543) 8.088 3.077 ( 1.169 3.280 -1.803) 3.921 3.536 ( -2.754 -3.005 1.395) 4.308 3.592 ( -6.710 -3.782 -0.276) 7.707 3.644 ( -2.009 5.715 0.396) 6.071 3.771 ( -0.153 9.866 2.059) 10.079 3.844 ( -5.149 -4.459 2.057) 7.115 4.049 ( -6.926 2.648 1.780) 7.626 4.133 ( 0.681 3.687 -2.258) 4.377 4.259 ( 9.661 4.288 7.639) 13.041 4.409 ( 2.695 -0.228 -6.562) 7.097 4.558 ( -6.514 -4.876 -1.079) 8.208 4.724 ( 8.010 0.203 -3.893) 8.908 4.772 ( -0.262 -1.805 0.233) 1.838 4.844 ( 2.084 -0.749 -1.188) 2.513 5.024 ( 0.708 -8.654 -1.475) 8.807 5.258 ( 3.293 3.161 -2.449) 5.181 5.429 ( 3.644 -3.612 0.457) 5.151 5.547 ( 1.827 1.726 2.036) 3.235 5.783 ( -2.245 0.600 -1.349) 2.687 5.954 ( 1.298 3.365 0.737) 3.681 6.122 ( 0.863 4.373 -1.158) 4.605 6.277 ( 0.002 3.798 0.497) 3.830 6.447 ( 3.447 5.602 -2.685) 7.104 7.169 ( -8.914 -14.765 -1.586) 17.320 7.514 ( 0.264 -14.895 -0.496) 14.906 8.989 ( 0.008 -10.322 0.012) 10.322 9.344 ( 16.620 6.411 0.050) 17.814 9.897 ( 0.228 -7.724 0.259) 7.732 9.965 ( 10.956 -1.210 -0.971) 11.065 10.310 ( -1.781 -10.802 0.221) 10.950 10.544 ( -0.701 2.085 -0.236) 2.212 10.893 ( -5.778 6.467 -2.922) 9.151 11.045 ( 3.886 3.333 2.347) 5.632 11.418 ( -4.134 -5.484 -1.546) 7.040 11.674 ( -1.470 -7.064 0.356) 7.224 12.191 ( -10.991 -0.124 -27.103) 29.247 12.654 ( -2.043 6.950 42.089) 42.708 12.763 ( -0.902 -1.761 2.282) 3.020 13.299 ( 3.691 -13.079 1.926) 13.726 14.514 ( 1.787 12.295 -10.662) 16.372 15.620 ( -4.113 5.828 0.217) 7.136 15.877 ( -8.244 7.348 -0.453) 11.053 16.128 ( 13.353 7.082 -1.961) 15.242 18.266 ( -0.443 -14.130 0.011) 14.137 19.157 ( -65.810 -32.268 19.519) 75.850 20.043 ( 26.776 13.581 -36.258) 47.075 20.159 ( 5.610 3.676 -2.724) 7.239 24.534 ( 1.590 0.644 -0.454) 1.774 24.656 ( 48.895 22.076 14.361) 55.537 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 11.538 -19.175 -6.090) 23.192 0.912 ( -6.482 -17.328 2.998) 18.742 1.456 ( -6.022 -8.938 0.242) 10.780 1.760 ( 24.013 -25.620 -4.628) 35.418 1.967 ( -6.317 -16.079 1.302) 17.325 2.159 ( -2.434 -4.967 4.022) 6.839 2.352 ( 8.827 -12.036 -3.404) 15.309 2.784 ( -2.275 11.101 -0.163) 11.333 2.817 ( -0.665 1.294 0.777) 1.649 2.997 ( -1.636 0.981 3.036) 3.586 3.051 ( -2.713 -6.778 -2.798) 7.819 3.091 ( 0.076 -5.213 0.833) 5.280 3.403 ( -5.552 10.492 0.042) 11.870 3.494 ( -2.835 7.859 1.011) 8.416 3.557 ( 1.986 5.529 -2.438) 6.360 3.729 ( -0.799 -3.245 2.364) 4.093 3.841 ( -12.331 -2.740 3.476) 13.101 3.972 ( -7.502 -1.307 2.112) 7.902 4.076 ( -0.908 3.093 -2.367) 3.999 4.231 ( 8.348 4.046 3.829) 10.036 4.499 ( 4.851 -4.486 -4.659) 8.085 4.594 ( -4.071 -3.263 -1.875) 5.544 4.730 ( 1.026 1.412 1.409) 2.243 4.831 ( -3.032 -5.276 -0.976) 6.163 4.925 ( 5.227 -4.217 -2.741) 7.253 5.129 ( 1.655 -0.107 1.405) 2.173 5.304 ( 3.334 -5.752 -5.624) 8.708 5.498 ( 2.023 -1.270 2.148) 3.213 5.536 ( 6.453 3.004 3.614) 7.983 5.727 ( -7.979 1.349 -1.289) 8.194 5.914 ( 2.044 2.128 1.362) 3.249 6.044 ( 1.132 4.201 -0.355) 4.365 6.225 ( 3.677 3.150 0.166) 4.845 6.359 ( 0.684 5.449 -0.810) 5.551 7.398 ( -6.025 -16.670 0.067) 17.726 7.854 ( -0.029 -22.010 -0.820) 22.026 9.224 ( 0.018 -13.332 -0.131) 13.333 9.375 ( 17.189 3.747 0.240) 17.594 9.984 ( 2.960 -2.383 0.008) 3.800 10.143 ( 4.649 -8.482 -0.782) 9.704 10.490 ( -0.846 2.003 -0.278) 2.192 10.605 ( -2.999 -17.216 0.521) 17.483 10.708 ( -3.121 4.370 -0.103) 5.371 11.007 ( 2.253 2.216 1.808) 3.641 11.510 ( -3.588 -7.963 -0.960) 8.786 11.793 ( -7.525 -8.225 -0.727) 11.171 12.111 ( -5.216 -0.737 -11.404) 12.562 12.522 ( -0.262 6.983 17.841) 19.161 12.804 ( -1.461 -3.844 -0.914) 4.213 13.578 ( -2.109 -16.466 -0.718) 16.616 14.262 ( 3.614 16.923 -2.735) 17.519 15.419 ( -8.246 11.055 0.071) 13.791 15.630 ( -7.328 12.732 -0.133) 14.691 16.070 ( 14.205 11.845 -0.481) 18.502 18.578 ( -2.395 -20.807 -0.113) 20.944 19.230 ( -29.965 -18.351 8.065) 36.052 19.999 ( 12.531 8.782 -11.255) 18.995 20.123 ( 8.969 6.855 -3.496) 11.817 24.538 ( 2.443 0.711 -0.837) 2.679 24.648 ( 23.134 10.933 5.782) 26.232 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -11.128 -8.061 7.953) 15.876 1.099 ( 3.607 -19.035 -7.366) 20.727 1.557 ( -4.299 -6.499 -3.747) 8.646 2.021 ( -3.865 -1.825 -2.172) 4.794 2.197 ( -1.995 -7.706 2.962) 8.493 2.405 ( 6.746 -13.178 -1.335) 14.865 2.506 ( 7.888 6.729 -0.254) 10.371 2.717 ( 6.918 -10.874 -1.990) 13.041 2.826 ( -0.109 0.366 0.176) 0.421 2.947 ( -3.358 2.607 0.792) 4.324 3.104 ( 2.024 -1.017 0.526) 2.325 3.125 ( -2.473 0.290 6.292) 6.766 3.267 ( 2.386 6.108 -1.407) 6.707 3.374 ( 2.954 -0.405 -1.317) 3.259 3.524 ( 3.078 0.382 -3.446) 4.637 3.747 ( 1.004 0.314 3.706) 3.852 3.779 ( -10.238 -1.171 -2.475) 10.598 3.970 ( -8.373 -3.177 1.154) 9.030 3.988 ( -1.684 4.284 1.522) 4.848 4.240 ( 5.088 3.180 2.676) 6.570 4.602 ( -0.602 -3.661 -1.589) 4.036 4.620 ( -3.169 -4.069 2.858) 5.896 4.713 ( -0.693 -0.519 -0.858) 1.219 4.931 ( -2.574 -8.511 -5.901) 10.671 5.046 ( 1.585 -4.728 -0.159) 4.989 5.104 ( 2.746 2.404 -2.328) 4.329 5.406 ( 0.916 -1.891 -1.278) 2.459 5.494 ( -0.555 2.695 2.707) 3.860 5.545 ( 9.274 2.914 1.802) 9.887 5.614 ( -9.989 2.817 0.159) 10.379 5.894 ( 0.276 2.505 0.442) 2.559 6.034 ( 3.012 -2.150 -0.253) 3.710 6.231 ( 5.904 0.479 0.126) 5.925 6.288 ( 1.360 2.926 0.585) 3.279 7.642 ( -3.940 -14.761 0.553) 15.288 8.257 ( -0.220 -22.369 -0.863) 22.387 9.323 ( 9.491 3.634 0.011) 10.163 9.552 ( 3.940 -9.192 -0.267) 10.005 10.046 ( 2.497 -2.157 -0.217) 3.306 10.318 ( 0.707 -7.635 -0.855) 7.715 10.408 ( -0.045 11.247 1.456) 11.341 10.494 ( 0.829 0.802 -0.272) 1.185 10.897 ( -3.325 -2.929 0.440) 4.453 11.210 ( 3.137 -24.216 0.931) 24.436 11.634 ( -2.991 -8.821 -0.216) 9.317 11.789 ( -11.678 -1.511 -2.882) 12.123 12.197 ( 1.848 -8.575 -2.541) 9.133 12.417 ( 0.419 3.423 7.131) 7.922 12.863 ( 0.089 -2.737 -1.218) 2.997 13.808 ( -8.337 -11.587 -3.561) 14.713 14.022 ( 5.565 11.832 2.196) 13.258 15.105 ( -10.254 15.356 -0.070) 18.465 15.349 ( -5.186 11.934 0.238) 13.014 15.932 ( 12.989 15.491 -0.129) 20.216 18.927 ( -5.314 -21.002 -0.277) 21.666 19.327 ( -16.664 -12.996 3.791) 21.470 19.929 ( 8.265 8.291 -2.844) 12.047 20.059 ( 9.905 8.572 -3.272) 13.502 24.549 ( 2.067 0.101 -1.098) 2.343 24.634 ( 13.401 6.993 3.028) 15.416 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -13.506 -2.414 4.845) 14.550 1.432 ( 0.079 -12.543 -3.877) 13.129 1.620 ( 2.374 -3.237 -3.964) 5.641 1.913 ( -8.605 5.326 -0.420) 10.129 2.260 ( -2.026 -1.289 2.203) 3.259 2.482 ( 5.016 -3.713 0.863) 6.300 2.604 ( 5.679 -2.065 -0.087) 6.043 2.774 ( -1.161 3.411 -2.462) 4.364 2.823 ( -2.982 3.175 -0.329) 4.368 2.947 ( -2.157 -0.147 3.511) 4.123 3.088 ( 1.709 0.276 -2.416) 2.972 3.174 ( 4.919 0.705 -0.527) 4.997 3.242 ( 3.958 -4.997 3.525) 7.285 3.535 ( 8.709 -9.815 0.165) 13.122 3.592 ( 7.213 -1.513 -3.788) 8.287 3.692 ( -7.925 2.594 -2.141) 8.609 3.776 ( 1.933 -2.457 3.565) 4.742 3.890 ( 2.061 4.045 -2.243) 5.063 3.972 ( -9.438 -2.963 4.026) 10.680 4.154 ( 0.033 8.541 -0.631) 8.565 4.637 ( 3.122 1.103 2.624) 4.224 4.646 ( -8.437 -5.304 2.309) 10.230 4.772 ( -1.238 -5.585 -2.072) 6.085 4.984 ( 0.542 4.923 -2.289) 5.456 5.105 ( -2.306 -9.071 -5.901) 11.065 5.187 ( 0.214 -5.577 2.777) 6.234 5.385 ( -3.031 2.186 -0.128) 3.739 5.429 ( 2.343 4.654 2.754) 5.893 5.474 ( -4.821 4.454 -2.702) 7.098 5.590 ( 7.525 0.700 1.651) 7.736 5.829 ( -2.227 3.122 -0.064) 3.835 6.110 ( 1.483 -2.373 0.072) 2.799 6.275 ( 2.933 0.290 -0.536) 2.996 6.292 ( 3.550 -1.811 1.575) 4.285 7.841 ( -1.705 -9.476 0.441) 9.638 8.605 ( 0.033 -15.511 -0.604) 15.523 9.324 ( 6.829 3.040 0.013) 7.475 9.671 ( -1.595 -4.637 -0.651) 4.947 10.058 ( -1.617 7.476 -1.045) 7.720 10.148 ( 1.992 6.580 1.702) 7.082 10.526 ( 2.342 -2.012 -0.311) 3.103 10.557 ( 1.913 -10.974 0.267) 11.143 10.900 ( -0.939 -0.581 0.142) 1.114 11.555 ( 2.616 -8.966 1.087) 9.403 11.698 ( -2.713 1.350 -0.995) 3.189 11.788 ( -9.472 -7.974 -0.605) 12.397 12.376 ( 7.283 -9.670 0.221) 12.108 12.496 ( -2.731 -11.869 1.316) 12.250 12.872 ( 1.985 3.289 -1.044) 3.980 13.767 ( 0.408 7.012 -0.822) 7.072 13.996 ( -5.430 -2.567 0.315) 6.015 14.769 ( -7.076 12.166 0.027) 14.074 15.168 ( -4.156 3.402 0.404) 5.386 15.746 ( 9.454 14.301 -0.086) 17.143 19.216 ( -7.143 -16.453 -0.371) 17.941 19.415 ( -7.007 -6.756 1.587) 9.862 19.840 ( 5.515 7.386 0.064) 9.218 19.986 ( 7.394 6.902 -2.158) 10.342 24.566 ( 0.267 -1.060 -1.284) 1.686 24.613 ( 7.361 4.578 1.946) 8.884 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.000 -0.000 0.000) 0.000 1.512 ( 0.000 -0.000 -0.000) 0.000 1.723 ( -0.000 0.000 0.000) 0.000 1.788 ( 0.000 -0.000 -0.000) 0.000 2.261 ( 0.000 -0.000 -0.000) 0.000 2.566 ( 0.000 -0.000 -0.000) 0.000 2.666 ( 0.000 -0.000 0.000) 0.000 2.704 ( 0.000 -0.000 -0.000) 0.000 2.778 ( 0.000 -0.000 0.000) 0.000 2.886 ( 0.000 -0.000 -0.000) 0.000 3.075 ( -0.000 -0.000 0.000) 0.000 3.232 ( -0.000 -0.000 -0.000) 0.000 3.333 ( -0.000 0.000 0.000) 0.000 3.557 ( 0.000 -0.000 0.000) 0.000 3.671 ( -0.000 -0.000 0.000) 0.000 3.732 ( 0.000 0.000 -0.000) 0.000 3.855 ( -0.000 -0.000 0.000) 0.000 3.862 ( 0.000 0.000 -0.000) 0.000 3.937 ( 0.000 -0.000 0.000) 0.000 4.016 ( 0.000 -0.000 -0.000) 0.000 4.641 ( -0.000 -0.000 0.000) 0.000 4.661 ( 0.000 0.000 -0.000) 0.000 4.851 ( 0.000 0.000 -0.000) 0.000 4.898 ( 0.000 -0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.238 ( -0.000 -0.000 -0.000) 0.000 5.355 ( -0.000 0.000 0.000) 0.000 5.359 ( 0.000 -0.000 -0.000) 0.000 5.419 ( 0.000 -0.000 0.000) 0.000 5.623 ( 0.000 -0.000 -0.000) 0.000 5.782 ( 0.000 -0.000 -0.000) 0.000 6.133 ( 0.000 -0.000 0.000) 0.000 6.288 ( 0.000 -0.000 -0.000) 0.000 6.330 ( -0.000 -0.000 0.000) 0.000 7.924 ( 0.000 -0.000 0.000) 0.000 8.754 ( 0.000 -0.000 -0.000) 0.000 9.324 ( 0.000 -0.000 0.000) 0.000 9.743 ( 0.000 -0.000 -0.000) 0.000 9.881 ( 0.000 -0.000 -0.000) 0.000 10.140 ( 0.000 -0.000 0.000) 0.000 10.548 ( 0.000 -0.000 0.000) 0.000 10.690 ( 0.000 -0.000 0.000) 0.000 10.903 ( 0.000 -0.000 0.000) 0.000 11.649 ( -0.000 0.000 -0.000) 0.000 11.651 ( 0.000 -0.000 0.000) 0.000 11.800 ( -0.000 -0.000 -0.000) 0.000 12.558 ( 0.000 -0.000 0.000) 0.000 12.640 ( 0.000 -0.000 -0.000) 0.000 12.812 ( 0.000 -0.000 -0.000) 0.000 13.688 ( 0.000 -0.000 -0.000) 0.000 13.974 ( 0.000 -0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 -0.000 0.000) 0.000 15.639 ( 0.000 -0.000 -0.000) 0.000 19.357 ( -0.000 -0.000 0.000) 0.000 19.440 ( 0.000 -0.000 0.000) 0.000 19.786 ( 0.000 -0.000 -0.000) 0.000 19.950 ( 0.000 -0.000 -0.000) 0.000 24.588 ( -0.000 -0.000 -0.000) 0.000 24.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 17.749 -0.000 -28.878) 33.897 0.442 ( 27.815 -0.000 -2.199) 27.902 0.818 ( 50.444 -0.000 -3.045) 50.535 1.155 ( -7.536 0.000 -2.538) 7.952 1.264 ( -1.343 0.000 5.823) 5.975 2.090 ( 7.116 -0.000 4.904) 8.641 2.203 ( 3.451 -0.000 1.011) 3.596 2.613 ( -5.863 0.000 -3.044) 6.606 2.863 ( 5.981 -0.000 1.279) 6.116 2.874 ( -4.187 0.000 2.311) 4.783 3.078 ( -6.773 0.000 -1.186) 6.876 3.267 ( -5.035 0.000 0.058) 5.035 3.320 ( 5.455 -0.000 4.132) 6.843 3.557 ( -4.585 0.000 -0.787) 4.652 3.697 ( -4.758 0.000 0.449) 4.779 3.747 ( -4.433 0.000 2.333) 5.009 3.889 ( 0.451 -0.000 0.475) 0.655 4.018 ( -8.518 0.000 2.361) 8.839 4.156 ( -4.455 0.000 -1.182) 4.609 4.360 ( 10.384 -0.000 2.521) 10.685 4.445 ( -8.622 0.000 -0.432) 8.633 4.466 ( -5.016 0.000 8.109) 9.535 4.741 ( 5.561 -0.000 0.547) 5.587 4.808 ( -2.000 0.000 -17.813) 17.925 4.847 ( 7.333 -0.000 1.090) 7.413 4.991 ( 6.945 -0.000 -6.547) 9.544 5.320 ( -0.123 0.000 0.361) 0.381 5.424 ( 8.141 -0.000 -0.282) 8.146 5.577 ( 2.385 -0.000 3.741) 4.436 5.775 ( -4.685 0.000 -2.226) 5.187 6.030 ( 4.107 -0.000 -1.125) 4.258 6.176 ( 1.463 -0.000 -0.011) 1.464 6.310 ( -0.522 0.000 1.423) 1.516 6.618 ( -2.856 0.000 -14.860) 15.132 6.830 ( -3.718 0.000 0.036) 3.718 7.372 ( 0.157 -0.000 -0.141) 0.211 8.888 ( -0.086 0.000 0.051) 0.100 9.493 ( -0.566 0.000 -0.026) 0.567 9.819 ( 2.356 -0.000 -0.028) 2.356 10.138 ( -2.749 0.000 0.113) 2.752 10.276 ( 4.875 -0.000 -0.082) 4.876 10.544 ( -2.882 0.000 -1.323) 3.171 10.850 ( -5.995 0.000 -11.243) 12.742 11.096 ( 4.652 -0.000 -4.050) 6.168 11.400 ( 1.676 -0.000 0.015) 1.676 11.593 ( -3.148 0.000 -0.003) 3.148 12.017 ( -7.317 0.000 -36.120) 36.854 12.720 ( -8.526 0.000 101.096) 101.454 12.728 ( -2.055 0.000 -0.009) 2.055 13.249 ( 10.729 -0.000 4.047) 11.467 14.650 ( -0.690 0.000 -29.071) 29.079 15.667 ( -2.745 0.000 -5.697) 6.324 15.878 ( -8.876 0.000 -2.151) 9.133 16.319 ( 11.676 -0.000 -4.994) 12.700 18.055 ( 0.271 -0.000 0.038) 0.274 18.133 ( -0.074 0.000 -0.037) 0.082 20.233 ( 7.546 -0.000 4.108) 8.592 20.339 ( 4.088 -0.000 -48.228) 48.400 24.559 ( 2.979 -0.000 -1.090) 3.172 25.672 ( -2.078 0.000 30.666) 30.737 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 18.123 -11.683 -18.228) 28.235 0.769 ( 20.676 -6.648 0.171) 21.719 1.237 ( -4.981 -8.921 4.809) 11.292 1.459 ( 12.152 -29.038 -2.376) 31.568 1.537 ( 9.146 -23.231 -0.184) 24.968 2.128 ( 1.300 0.407 4.728) 4.920 2.278 ( 10.417 -4.407 -3.038) 11.712 2.686 ( -7.221 -8.960 -5.053) 12.568 2.871 ( -4.345 -5.167 0.814) 6.800 2.951 ( 1.841 -3.187 4.510) 5.821 2.977 ( -2.706 6.428 1.414) 7.116 3.098 ( -1.294 5.915 -0.456) 6.072 3.488 ( -6.468 3.001 -0.997) 7.199 3.494 ( -2.958 -8.301 1.631) 8.962 3.588 ( -4.772 5.669 0.968) 7.473 3.702 ( -6.244 2.473 2.855) 7.297 3.811 ( -0.839 5.196 0.990) 5.356 3.936 ( -6.709 1.858 0.481) 6.978 4.097 ( -3.535 1.730 -2.209) 4.513 4.378 ( 2.875 5.121 9.832) 11.453 4.435 ( -7.157 -5.497 -0.267) 9.028 4.485 ( 4.948 -4.818 -7.492) 10.189 4.757 ( -1.407 -0.101 -1.286) 1.908 4.769 ( -0.324 1.750 -5.005) 5.312 4.956 ( 10.778 -0.579 0.510) 10.806 5.095 ( 7.622 -5.771 -1.963) 9.760 5.300 ( 1.274 1.302 -2.580) 3.158 5.499 ( 4.824 -0.438 0.699) 4.894 5.609 ( 4.069 -0.613 4.397) 6.022 5.710 ( -4.610 2.642 -1.010) 5.408 5.996 ( 2.496 4.884 0.688) 5.528 6.138 ( 0.721 4.065 0.389) 4.147 6.299 ( 3.708 2.184 0.231) 4.309 6.470 ( -0.932 7.379 -3.689) 8.303 7.025 ( -8.057 -17.723 -1.250) 19.509 7.514 ( -0.164 -14.807 -0.511) 14.817 8.991 ( 0.239 -10.709 0.024) 10.712 9.534 ( 6.547 -2.272 0.088) 6.930 9.920 ( 2.181 -7.148 0.049) 7.473 10.143 ( 4.186 -1.149 -0.709) 4.398 10.307 ( 5.465 -5.064 -0.088) 7.451 10.513 ( -3.387 0.787 -0.707) 3.548 10.779 ( -7.422 3.225 -2.490) 8.467 11.116 ( 4.627 4.677 3.013) 7.236 11.362 ( -1.740 -1.509 -2.879) 3.687 11.613 ( -5.827 -5.291 -0.258) 7.875 12.000 ( -11.175 -3.750 -16.617) 20.374 12.613 ( -3.095 4.109 37.833) 38.181 12.731 ( -2.701 -2.177 0.655) 3.531 13.383 ( 5.681 -6.109 -0.735) 8.375 14.543 ( 2.107 10.728 -8.723) 13.986 15.541 ( -5.339 8.895 -3.548) 10.964 15.749 ( -7.387 6.995 -0.092) 10.174 16.344 ( 12.609 6.805 -1.007) 14.364 18.253 ( -1.100 -13.052 0.113) 13.099 18.494 ( -21.782 -34.508 2.984) 40.916 20.242 ( 8.750 6.941 -4.396) 12.002 20.313 ( 10.578 5.457 -15.442) 19.497 24.578 ( 3.865 0.869 -1.313) 4.173 25.249 ( 20.434 30.845 12.676) 39.110 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 6.399 -11.989 -13.364) 19.060 0.942 ( 12.943 -3.225 4.511) 14.080 1.403 ( 1.533 -10.716 0.308) 10.829 1.820 ( -9.029 -17.927 1.355) 20.118 2.100 ( 4.850 -3.770 -1.641) 6.359 2.201 ( 15.042 -16.595 -1.558) 22.452 2.494 ( 9.332 -11.108 -1.030) 14.544 2.737 ( -3.742 -0.429 -0.768) 3.844 2.812 ( 0.916 5.089 2.426) 5.712 2.907 ( -7.102 -2.627 1.833) 7.791 3.063 ( 2.123 -2.958 -0.030) 3.641 3.096 ( 0.649 -5.647 0.716) 5.729 3.349 ( -0.293 5.123 -1.543) 5.358 3.433 ( -4.234 5.645 1.297) 7.175 3.562 ( -1.039 2.866 -1.362) 3.339 3.616 ( -12.170 -4.374 1.082) 12.977 3.749 ( -0.552 1.113 2.714) 2.985 3.865 ( -5.296 -0.118 0.632) 5.335 4.051 ( -2.399 1.372 -0.559) 2.820 4.328 ( 3.102 3.434 6.636) 8.090 4.498 ( -6.408 -6.804 -0.378) 9.354 4.569 ( 1.745 -0.651 -5.271) 5.591 4.723 ( -1.339 2.369 -0.001) 2.721 4.782 ( -1.407 -5.133 -4.923) 7.250 5.033 ( 7.559 -0.746 -0.501) 7.612 5.202 ( 4.718 2.983 -0.915) 5.656 5.352 ( 4.331 -5.651 -2.704) 7.616 5.515 ( 0.556 1.058 0.763) 1.419 5.569 ( -9.548 2.030 2.036) 9.972 5.684 ( 9.520 2.872 3.307) 10.479 5.950 ( 1.925 1.689 1.883) 3.179 6.078 ( 2.839 3.864 -0.671) 4.842 6.293 ( 4.577 2.056 -0.144) 5.020 6.353 ( -1.151 4.540 -0.955) 4.780 7.296 ( -6.355 -18.849 0.141) 19.892 7.848 ( -0.676 -21.920 -0.750) 21.943 9.219 ( -0.699 -12.665 -0.119) 12.684 9.636 ( 13.811 0.677 0.114) 13.828 10.031 ( 2.775 -2.959 0.172) 4.061 10.223 ( 3.250 -3.809 -1.233) 5.157 10.487 ( 0.012 -0.179 0.020) 0.181 10.564 ( -0.840 -11.746 0.647) 11.794 10.645 ( -4.190 -1.283 -0.479) 4.408 11.049 ( 3.039 2.621 3.018) 5.022 11.441 ( -5.269 -8.470 -2.567) 10.300 11.652 ( -8.148 -4.622 -1.255) 9.451 12.015 ( -6.968 -7.536 -6.031) 11.905 12.530 ( 1.163 4.720 14.626) 15.413 12.779 ( -1.588 -5.002 -0.831) 5.313 13.529 ( -3.929 -9.295 -1.723) 10.237 14.338 ( 5.838 15.005 -1.759) 16.196 15.289 ( -7.573 13.286 -1.763) 15.394 15.523 ( -6.398 11.777 0.314) 13.407 16.275 ( 11.196 11.731 -0.215) 16.217 18.531 ( -3.280 -18.896 -0.033) 19.179 18.839 ( -18.964 -23.913 2.395) 30.614 20.164 ( 9.401 9.219 -5.662) 14.333 20.295 ( 11.995 7.334 -2.581) 14.294 24.587 ( 3.638 1.490 -1.283) 4.135 24.978 ( 16.091 17.852 5.380) 24.628 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.494 -1.314 -0.709) 2.907 1.229 ( 9.256 -12.315 -4.842) 16.148 1.594 ( 9.264 -5.597 -2.571) 11.124 1.919 ( -6.851 0.387 -0.872) 6.917 2.163 ( -2.097 -6.577 2.300) 7.277 2.425 ( -1.585 -4.647 1.122) 5.036 2.680 ( 8.229 2.973 -0.178) 8.751 2.729 ( -4.991 -4.133 0.321) 6.488 2.859 ( 2.708 -3.175 -2.350) 4.790 2.905 ( -0.557 0.038 1.643) 1.735 3.116 ( 1.561 0.066 3.219) 3.578 3.163 ( 4.185 -5.831 -0.723) 7.213 3.276 ( -2.389 6.940 0.210) 7.342 3.438 ( 4.538 -6.561 -0.614) 8.001 3.528 ( -5.693 -5.464 -3.110) 8.482 3.616 ( -5.677 -3.221 -1.362) 6.668 3.751 ( 0.945 -0.504 2.052) 2.315 3.862 ( -2.340 -2.629 2.011) 4.053 3.994 ( 0.326 3.664 1.757) 4.076 4.283 ( -1.318 4.064 2.143) 4.779 4.508 ( -6.590 -0.419 -1.398) 6.750 4.606 ( -1.562 -4.838 3.185) 5.999 4.692 ( -2.272 -1.095 -2.382) 3.469 4.901 ( -0.966 -8.285 -6.032) 10.294 5.100 ( 4.011 0.600 0.620) 4.102 5.162 ( 4.440 1.931 -3.684) 6.084 5.391 ( -3.992 2.050 0.343) 4.501 5.462 ( -7.991 1.318 1.843) 8.306 5.522 ( 6.079 1.358 0.434) 6.244 5.709 ( 10.421 3.260 2.954) 11.312 5.922 ( 2.687 5.120 1.403) 5.950 6.078 ( 2.165 -1.813 -0.843) 2.947 6.288 ( -1.189 0.548 2.494) 2.817 6.311 ( 3.703 0.957 -2.238) 4.431 7.579 ( -3.707 -17.021 0.569) 17.430 8.246 ( -1.084 -22.559 -0.716) 22.597 9.349 ( -4.069 -3.668 -0.179) 5.481 9.709 ( 12.461 3.532 -0.319) 12.956 10.089 ( 2.646 -0.658 -0.232) 2.736 10.316 ( -0.187 0.907 0.060) 0.928 10.429 ( 1.252 1.907 0.781) 2.411 10.537 ( 5.488 -1.544 -0.070) 5.701 10.848 ( -2.818 -5.552 0.317) 6.234 11.250 ( 1.619 -22.767 1.138) 22.853 11.532 ( -9.987 -8.005 -1.424) 12.878 11.657 ( -4.012 -2.057 -0.953) 4.609 12.165 ( -4.690 -13.860 -1.812) 14.744 12.482 ( 6.825 3.128 5.178) 9.120 12.864 ( -0.006 -4.382 -0.876) 4.469 13.648 ( -11.346 -10.714 -1.659) 15.693 14.121 ( 6.658 14.693 0.633) 16.143 14.971 ( -6.604 15.116 -1.024) 16.528 15.262 ( -5.701 10.862 0.534) 12.278 16.106 ( 8.826 15.968 -0.093) 18.245 18.841 ( -5.132 -19.108 -0.153) 19.786 19.079 ( -13.950 -18.247 1.316) 23.006 20.063 ( 8.426 10.232 -2.801) 13.547 20.237 ( 11.833 9.694 -0.375) 15.301 24.583 ( 2.120 1.584 -1.233) 2.919 24.826 ( 9.888 11.543 2.667) 15.431 ======================= Grid point 16 (11/141) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.970 -1.490 -1.899) 14.177 1.466 ( 7.885 -7.376 -1.747) 10.938 1.746 ( 9.741 -2.749 -2.807) 10.503 1.800 ( -5.696 4.939 0.174) 7.541 2.252 ( 0.994 -3.204 1.625) 3.728 2.502 ( -1.999 -5.392 2.592) 6.308 2.660 ( 0.726 -0.027 -0.603) 0.944 2.784 ( 0.466 0.009 0.206) 0.510 2.795 ( 1.867 5.844 -3.226) 6.932 2.871 ( -6.035 2.254 4.427) 7.816 3.112 ( 1.100 3.367 -1.027) 3.688 3.194 ( -3.759 -3.551 -1.024) 5.272 3.263 ( -2.795 -2.865 -0.200) 4.008 3.574 ( -4.807 -5.262 -1.238) 7.234 3.607 ( -1.841 -1.202 0.990) 2.411 3.636 ( -6.246 -6.956 -0.140) 9.350 3.759 ( 2.802 2.235 -0.084) 3.585 3.927 ( 7.249 -3.578 3.008) 8.626 3.981 ( 5.651 -0.183 1.304) 5.803 4.119 ( -4.558 10.840 -2.615) 12.046 4.499 ( -9.050 -5.733 0.514) 10.726 4.670 ( -0.148 -2.452 3.333) 4.140 4.740 ( -1.756 -6.253 -1.733) 6.722 4.994 ( 0.248 1.392 -2.859) 3.190 5.099 ( 0.662 -4.970 -5.043) 7.112 5.232 ( 5.326 -2.087 0.540) 5.745 5.333 ( -4.079 -0.788 1.650) 4.470 5.387 ( -2.525 1.634 0.835) 3.121 5.515 ( 7.059 5.833 0.187) 9.159 5.710 ( 6.268 5.487 0.890) 8.378 5.845 ( 4.304 4.566 1.492) 6.449 6.121 ( -0.100 -1.329 0.466) 1.412 6.275 ( -2.626 -0.385 1.732) 3.170 6.329 ( 0.569 -0.015 -2.128) 2.202 7.818 ( -1.114 -11.105 0.456) 11.170 8.588 ( -2.109 -15.701 -0.428) 15.848 9.334 ( -4.540 -0.075 -0.055) 4.541 9.723 ( 7.100 1.920 -0.609) 7.380 10.024 ( -2.488 9.608 -0.303) 9.930 10.182 ( 1.908 4.723 0.921) 5.177 10.562 ( 3.555 -2.834 0.575) 4.583 10.649 ( 8.619 -5.603 -0.197) 10.282 10.886 ( -1.032 -1.708 -0.019) 1.996 11.566 ( -6.514 -5.398 0.012) 8.459 11.609 ( -2.508 -10.583 -0.366) 10.882 11.673 ( -5.243 -5.487 0.024) 7.590 12.399 ( -2.798 -14.774 -0.544) 15.047 12.577 ( 11.077 -5.038 1.440) 12.254 12.898 ( 1.265 1.932 -0.678) 2.407 13.712 ( -8.149 -4.534 -0.712) 9.353 13.934 ( -1.097 7.664 0.418) 7.753 14.710 ( -0.803 8.714 -0.488) 8.764 15.097 ( -4.813 1.840 0.604) 5.188 15.860 ( 5.069 17.203 -0.145) 17.935 19.116 ( -5.264 -16.200 -0.260) 17.036 19.276 ( -9.285 -14.364 0.773) 17.121 19.927 ( 5.735 11.549 -1.548) 12.987 20.144 ( 10.733 10.484 0.497) 15.012 24.565 ( -0.427 1.140 -1.246) 1.742 24.714 ( 4.965 7.851 1.626) 9.431 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 23.730 -0.084 -4.424) 24.139 1.612 ( 5.885 4.004 1.712) 7.321 1.679 ( 3.146 2.722 1.968) 4.602 1.876 ( 8.191 -5.815 -0.918) 10.087 2.283 ( 2.504 0.685 -0.589) 2.662 2.503 ( -7.049 3.446 2.104) 8.124 2.652 ( -1.466 4.823 -2.098) 5.460 2.706 ( -1.646 -1.341 1.753) 2.753 2.796 ( 1.534 -1.484 -0.024) 2.134 2.873 ( -1.203 -6.898 -1.867) 7.246 3.088 ( -1.810 0.716 2.934) 3.521 3.178 ( -4.809 2.279 -0.719) 5.370 3.250 ( -5.746 -0.135 -2.223) 6.162 3.537 ( -10.171 1.256 1.316) 10.332 3.599 ( -9.354 2.163 1.480) 9.714 3.654 ( -0.230 -1.963 0.122) 1.981 3.760 ( 1.421 -1.206 0.638) 1.970 3.884 ( -3.428 5.805 -1.418) 6.889 4.038 ( 2.677 -1.153 -2.754) 4.010 4.100 ( 12.295 -3.158 2.647) 12.967 4.534 ( -7.232 -4.880 -1.560) 8.863 4.715 ( -0.011 -2.954 0.306) 2.969 4.829 ( -0.833 -1.843 3.049) 3.659 4.955 ( 6.216 2.095 -2.772) 7.121 5.218 ( -1.331 -5.642 -5.377) 7.906 5.254 ( 1.288 2.424 -0.634) 2.817 5.367 ( -1.715 -0.656 0.066) 1.837 5.400 ( 4.237 -5.852 5.664) 9.180 5.431 ( 6.183 8.243 0.064) 10.304 5.611 ( -0.142 6.553 0.047) 6.555 5.852 ( 7.178 0.798 1.397) 7.356 6.126 ( -0.829 0.363 0.324) 0.961 6.246 ( -4.587 0.388 0.731) 4.661 6.297 ( -4.175 2.059 -2.235) 5.164 7.927 ( 0.311 -1.041 0.060) 1.088 8.720 ( -3.751 -1.408 0.068) 4.007 9.287 ( -3.505 2.913 0.033) 4.557 9.779 ( 3.432 1.148 -0.140) 3.622 9.881 ( -0.056 -3.144 0.189) 3.150 10.138 ( -0.280 2.366 -0.049) 2.383 10.583 ( 3.595 3.252 0.642) 4.890 10.717 ( 3.340 5.614 -0.406) 6.545 10.902 ( -0.021 -0.802 -0.089) 0.807 11.605 ( -3.159 -1.929 -0.792) 3.785 11.626 ( -5.181 -2.963 0.127) 5.970 11.806 ( 1.447 -7.507 0.561) 7.666 12.565 ( 0.025 3.284 -0.133) 3.287 12.669 ( 3.759 1.152 -0.066) 3.932 12.814 ( 0.198 6.028 0.187) 6.034 13.696 ( 1.043 0.534 0.046) 1.173 13.925 ( -5.322 -9.963 0.036) 11.295 14.690 ( 6.691 -3.647 -0.278) 7.626 15.124 ( -1.722 -6.384 0.318) 6.620 15.616 ( -2.493 9.483 -0.191) 9.807 19.325 ( -2.835 -10.635 -0.403) 11.014 19.432 ( -1.680 -6.712 0.925) 6.980 19.753 ( -1.441 8.557 -1.881) 8.879 20.044 ( 8.249 9.069 1.524) 12.354 24.536 ( -3.461 0.365 -1.280) 3.708 24.625 ( 1.486 5.002 1.135) 5.340 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 9.164 11.117 -6.175) 15.675 1.436 ( 14.500 11.356 3.087) 18.675 1.707 ( 8.153 4.127 3.703) 9.860 2.079 ( 10.440 -1.196 1.284) 10.587 2.303 ( -1.645 -4.028 -0.743) 4.414 2.332 ( -7.068 4.756 -2.273) 8.817 2.516 ( -5.640 5.959 1.208) 8.294 2.752 ( -7.420 -3.500 1.951) 8.433 2.863 ( 1.813 -1.133 1.593) 2.666 2.921 ( -1.763 3.283 -0.401) 3.748 3.051 ( -2.509 -4.660 -0.468) 5.314 3.124 ( -2.075 1.002 0.088) 2.306 3.215 ( 3.007 1.407 -6.484) 7.284 3.383 ( -9.596 5.379 -0.034) 11.001 3.467 ( -8.243 -0.259 4.685) 9.485 3.683 ( -2.904 -3.141 -2.764) 5.093 3.807 ( -1.205 -3.335 2.774) 4.502 3.905 ( 6.060 -3.635 3.822) 8.033 4.065 ( 0.238 -0.718 -4.842) 4.901 4.209 ( 7.571 0.084 -0.559) 7.592 4.571 ( -4.006 -4.429 -1.583) 6.178 4.745 ( 3.118 2.112 -2.023) 4.275 4.771 ( -1.375 4.979 2.378) 5.686 5.015 ( 5.264 -0.452 -1.323) 5.447 5.144 ( 0.866 9.496 6.696) 11.652 5.213 ( 3.135 7.567 -2.910) 8.693 5.363 ( -5.204 -3.773 0.593) 6.455 5.408 ( -2.837 -2.421 -3.738) 5.281 5.500 ( 1.601 0.892 3.443) 3.900 5.603 ( 7.409 -6.015 -0.308) 9.548 5.905 ( 6.892 0.226 0.585) 6.920 6.072 ( -3.119 4.147 0.197) 5.193 6.186 ( -8.024 1.761 -0.062) 8.216 6.233 ( -3.104 -0.975 -1.643) 3.644 7.867 ( 1.309 7.872 -0.283) 7.985 8.588 ( -1.834 13.342 0.493) 13.477 9.190 ( -7.478 1.169 -0.057) 7.569 9.722 ( 3.166 6.568 0.413) 7.303 10.072 ( 0.153 -0.040 1.268) 1.278 10.129 ( -0.261 -14.118 -1.658) 14.218 10.491 ( -1.316 8.707 0.236) 8.809 10.564 ( 1.185 9.270 -0.070) 9.346 10.920 ( 1.586 -0.622 -0.167) 1.711 11.508 ( -2.946 9.268 -0.606) 9.744 11.708 ( -0.638 -4.332 0.331) 4.392 11.931 ( 7.776 -0.259 0.941) 7.837 12.270 ( -5.207 15.293 -0.915) 16.181 12.556 ( 3.537 12.682 -0.805) 13.191 12.840 ( -1.907 -4.834 1.037) 5.299 13.745 ( -1.456 -6.795 0.436) 6.963 14.059 ( 2.255 -0.823 0.010) 2.400 14.923 ( 10.907 -13.591 -0.316) 17.429 15.234 ( 4.667 -4.914 -0.179) 6.780 15.564 ( -13.205 -10.913 0.067) 17.131 19.331 ( 6.749 17.314 0.620) 18.594 19.474 ( 0.993 -4.376 -1.245) 4.657 19.727 ( -7.773 -9.422 -2.278) 12.425 19.961 ( 2.785 4.878 3.668) 6.708 24.497 ( -6.235 -0.335 -1.319) 6.381 24.561 ( -0.449 2.577 0.721) 2.714 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -4.712 20.741 0.921) 21.290 1.386 ( 21.916 20.170 -3.002) 29.936 1.650 ( 4.581 7.688 1.178) 9.026 1.896 ( -18.085 9.642 3.440) 20.782 2.219 ( 0.775 10.509 -1.635) 10.664 2.335 ( 1.292 8.052 -0.643) 8.180 2.499 ( 3.640 -3.117 1.900) 5.155 2.633 ( -2.840 7.362 0.758) 7.928 2.770 ( -6.235 -2.709 -0.554) 6.821 2.986 ( 1.325 -2.005 -0.409) 2.437 3.095 ( 0.185 -1.651 1.039) 1.959 3.156 ( 0.832 -2.446 -4.097) 4.844 3.258 ( 1.703 -5.336 -0.442) 5.618 3.344 ( -1.063 -5.541 0.603) 5.675 3.454 ( -4.507 -4.177 2.425) 6.606 3.731 ( -0.052 -2.279 -2.046) 3.063 3.890 ( 3.113 -6.233 1.821) 7.202 4.006 ( 1.488 -3.196 3.464) 4.943 4.073 ( 0.420 -0.304 -4.748) 4.776 4.209 ( 2.967 5.482 -1.888) 6.513 4.562 ( -2.377 4.484 1.596) 5.320 4.677 ( 1.802 6.071 -2.281) 6.731 4.712 ( -0.468 -0.522 0.607) 0.927 4.948 ( -0.434 6.124 2.497) 6.627 5.044 ( 0.624 10.778 0.260) 10.799 5.104 ( 1.912 -0.779 1.687) 2.666 5.382 ( -3.408 -0.382 0.644) 3.489 5.441 ( 0.219 -1.456 -1.235) 1.921 5.485 ( -3.139 -0.206 -1.466) 3.471 5.761 ( 7.028 -2.923 0.984) 7.675 5.911 ( 1.351 3.156 -0.189) 3.438 5.995 ( -1.272 -0.001 -0.022) 1.272 6.130 ( -5.585 -3.057 -0.600) 6.395 6.265 ( -1.013 -3.991 -0.001) 4.118 7.692 ( 1.929 12.718 -0.255) 12.866 8.254 ( -0.351 21.815 0.461) 21.823 9.155 ( -7.271 -3.601 -0.094) 8.114 9.540 ( 0.264 15.491 0.108) 15.493 10.016 ( -1.072 3.124 0.105) 3.305 10.300 ( -0.814 10.424 0.210) 10.458 10.434 ( 2.112 -14.566 -0.230) 14.720 10.481 ( -1.107 -1.017 -0.068) 1.505 10.946 ( 2.292 -0.320 -0.216) 2.325 11.161 ( -2.273 26.320 -0.302) 26.420 11.663 ( 0.843 7.498 -0.023) 7.545 11.971 ( 10.313 2.071 2.569) 10.828 12.118 ( -7.142 1.412 -0.390) 7.290 12.438 ( 1.446 0.150 -3.096) 3.420 12.862 ( -0.073 1.210 0.721) 1.410 13.904 ( 3.811 5.842 6.685) 9.661 13.952 ( -3.117 -4.790 -5.977) 8.270 15.261 ( 6.746 -13.819 -0.224) 15.379 15.442 ( 7.353 -13.421 -0.218) 15.305 15.713 ( -13.056 -15.501 0.267) 20.269 18.993 ( 2.458 22.771 0.199) 22.904 19.560 ( 10.544 -0.541 -5.279) 11.804 19.817 ( -5.226 -2.647 3.015) 6.589 19.941 ( -4.429 -5.233 3.425) 7.663 24.450 ( -7.265 -0.461 -1.416) 7.416 24.527 ( -0.881 0.733 0.379) 1.207 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -0.000 20.785 -0.000) 20.785 1.014 ( -0.000 27.948 -0.000) 27.948 1.504 ( -0.000 27.380 -0.000) 27.380 1.527 ( -0.000 9.377 -0.000) 9.377 2.022 ( -0.000 10.539 -0.000) 10.539 2.221 ( -0.000 6.756 -0.000) 6.756 2.239 ( -0.000 14.373 -0.000) 14.373 2.808 ( 0.000 -12.904 0.000) 12.904 2.818 ( 0.000 -3.349 0.000) 3.349 2.993 ( -0.000 1.571 -0.000) 1.571 3.091 ( -0.000 6.353 -0.000) 6.353 3.092 ( -0.000 1.361 -0.000) 1.361 3.475 ( 0.000 -7.913 0.000) 7.913 3.508 ( 0.000 -16.244 0.000) 16.244 3.526 ( 0.000 -5.296 0.000) 5.296 3.730 ( -0.000 2.787 -0.000) 2.787 4.013 ( -0.000 4.245 -0.000) 4.245 4.059 ( -0.000 5.655 -0.000) 5.655 4.063 ( 0.000 -5.679 0.000) 5.679 4.110 ( 0.000 -5.118 0.000) 5.118 4.450 ( -0.000 5.181 -0.000) 5.181 4.642 ( 0.000 -1.296 0.000) 1.296 4.697 ( -0.000 3.575 -0.000) 3.575 4.862 ( -0.000 7.838 -0.000) 7.838 4.868 ( -0.000 3.318 -0.000) 3.318 5.164 ( 0.000 -4.197 0.000) 4.197 5.237 ( -0.000 12.077 -0.000) 12.077 5.472 ( -0.000 1.680 -0.000) 1.680 5.490 ( 0.000 -3.549 0.000) 3.549 5.799 ( -0.000 0.588 -0.000) 0.588 5.897 ( 0.000 -1.786 0.000) 1.786 6.037 ( 0.000 -4.205 0.000) 4.205 6.191 ( 0.000 -5.113 0.000) 5.113 6.347 ( 0.000 -5.193 0.000) 5.193 7.455 ( -0.000 14.608 -0.000) 14.608 7.852 ( -0.000 22.039 -0.000) 22.039 9.195 ( 0.000 -4.262 0.000) 4.262 9.236 ( -0.000 16.784 -0.000) 16.784 9.956 ( -0.000 2.979 -0.000) 2.979 10.107 ( -0.000 11.065 -0.000) 11.065 10.499 ( 0.000 -2.733 0.000) 2.733 10.633 ( -0.000 19.612 -0.000) 19.612 10.734 ( 0.000 -7.536 0.000) 7.536 10.986 ( 0.000 -2.151 0.000) 2.151 11.542 ( -0.000 6.480 -0.000) 6.480 11.853 ( -0.000 11.463 -0.000) 11.463 12.164 ( 0.000 -5.560 0.000) 5.560 12.525 ( 0.000 -7.250 0.000) 7.250 12.817 ( -0.000 3.231 -0.000) 3.231 13.595 ( -0.000 19.450 -0.000) 19.450 14.232 ( 0.000 -17.565 0.000) 17.565 15.498 ( 0.000 -10.086 0.000) 10.086 15.738 ( 0.000 -13.211 0.000) 13.211 15.894 ( 0.000 -11.757 0.000) 11.757 18.599 ( -0.000 21.673 -0.000) 21.673 19.692 ( 0.000 -3.650 0.000) 3.650 19.718 ( -0.000 4.527 -0.000) 4.527 20.047 ( 0.000 -6.680 0.000) 6.680 24.412 ( -0.000 0.149 -0.000) 0.149 24.520 ( 0.000 -0.342 0.000) 0.342 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 25.101 -0.000 -21.002) 32.728 0.877 ( 26.614 -0.000 -2.018) 26.690 1.008 ( -10.348 0.000 -2.913) 10.751 1.200 ( -6.693 0.000 8.291) 10.656 1.573 ( 43.721 -0.000 -3.250) 43.841 2.148 ( 0.961 -0.000 4.464) 4.566 2.332 ( 9.930 -0.000 -2.892) 10.342 2.551 ( -1.513 0.000 -5.933) 6.123 2.780 ( -7.773 0.000 2.574) 8.188 2.933 ( 2.222 -0.000 5.211) 5.665 3.034 ( 2.981 -0.000 2.817) 4.101 3.152 ( -8.913 0.000 -1.686) 9.071 3.366 ( 0.169 -0.000 1.957) 1.964 3.466 ( -6.386 0.000 -1.944) 6.675 3.599 ( -6.998 0.000 0.071) 6.999 3.673 ( -4.023 0.000 2.716) 4.854 3.872 ( -3.694 0.000 0.860) 3.793 3.911 ( -3.738 0.000 0.989) 3.867 4.081 ( -4.838 0.000 -1.164) 4.976 4.273 ( -12.395 0.000 -0.031) 12.395 4.415 ( -1.221 0.000 5.746) 5.874 4.507 ( 7.736 -0.000 -2.733) 8.204 4.764 ( -3.440 0.000 -6.965) 7.769 4.781 ( 2.744 -0.000 0.258) 2.756 5.072 ( 16.853 -0.000 1.123) 16.890 5.074 ( 2.984 -0.000 -4.312) 5.244 5.315 ( -0.575 0.000 -0.100) 0.583 5.569 ( 9.437 -0.000 -0.245) 9.440 5.601 ( -2.502 0.000 2.520) 3.551 5.716 ( 0.372 -0.000 1.656) 1.697 6.060 ( -1.960 0.000 1.128) 2.261 6.165 ( -2.359 0.000 1.180) 2.638 6.376 ( 9.108 -0.000 -0.092) 9.109 6.562 ( -3.411 0.000 -6.698) 7.517 6.753 ( -5.702 0.000 0.039) 5.702 7.373 ( -0.024 0.000 -0.229) 0.230 8.887 ( 0.024 -0.000 0.076) 0.080 9.477 ( -1.651 0.000 -0.034) 1.652 9.864 ( 3.128 -0.000 -0.050) 3.129 10.097 ( -2.267 0.000 0.124) 2.270 10.376 ( 7.852 -0.000 -0.068) 7.853 10.475 ( -5.835 0.000 -1.426) 6.007 10.747 ( -6.261 0.000 -2.248) 6.652 11.170 ( 4.494 -0.000 -1.925) 4.889 11.431 ( 1.448 -0.000 0.018) 1.448 11.525 ( -4.789 0.000 -0.008) 4.789 11.856 ( -11.687 0.000 -10.595) 15.775 12.623 ( -4.528 0.000 37.927) 38.196 12.682 ( -3.556 0.000 -0.010) 3.556 13.406 ( 8.278 -0.000 -2.074) 8.534 14.649 ( 1.315 -0.000 -7.043) 7.164 15.591 ( -6.836 0.000 -8.511) 10.916 15.764 ( -5.006 0.000 1.308) 5.174 16.497 ( 10.300 -0.000 -1.079) 10.357 18.061 ( 0.449 -0.000 0.069) 0.454 18.131 ( -0.131 0.000 -0.066) 0.147 20.368 ( 7.500 -0.000 -2.371) 7.866 20.442 ( 10.239 -0.000 -13.544) 16.979 24.622 ( 4.841 -0.000 -1.491) 5.065 25.631 ( -3.265 0.000 12.015) 12.451 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 15.903 -3.637 -16.934) 23.513 1.094 ( 14.082 4.108 1.780) 14.777 1.172 ( 1.673 -17.544 1.361) 17.676 1.323 ( -3.297 -24.755 1.698) 25.032 2.045 ( 26.470 -13.486 -5.186) 30.156 2.147 ( 3.503 -0.310 2.244) 4.172 2.424 ( 7.543 -3.692 -0.225) 8.401 2.611 ( -2.891 -5.639 -3.705) 7.341 2.757 ( -9.163 -4.943 -0.810) 10.443 2.931 ( -5.297 2.976 6.640) 9.001 3.014 ( 3.873 1.230 2.235) 4.638 3.103 ( 5.919 0.089 1.191) 6.039 3.396 ( -4.525 2.199 -2.596) 5.661 3.424 ( -5.122 -5.577 0.413) 7.583 3.505 ( -5.010 4.427 0.393) 6.697 3.629 ( -2.695 2.869 1.501) 4.213 3.790 ( -1.629 4.074 1.050) 4.512 3.843 ( -4.934 2.174 0.949) 5.474 4.033 ( -4.782 0.555 -0.925) 4.902 4.275 ( -10.423 -7.848 0.269) 13.050 4.400 ( 0.332 0.615 7.901) 7.932 4.578 ( 4.724 -1.113 -6.293) 7.947 4.726 ( -2.959 0.169 -2.784) 4.066 4.779 ( 2.137 2.845 -2.436) 4.312 5.084 ( 3.798 -0.004 -2.173) 4.376 5.254 ( 9.706 -2.634 2.348) 10.328 5.309 ( 2.514 -1.809 -3.039) 4.339 5.536 ( -9.238 2.786 0.386) 9.657 5.585 ( 5.933 3.778 0.900) 7.091 5.770 ( 7.871 -1.283 3.615) 8.756 5.990 ( -4.244 2.519 3.333) 5.956 6.146 ( 1.665 1.485 -1.277) 2.571 6.381 ( 2.456 4.992 0.644) 5.601 6.460 ( 3.609 6.272 -3.315) 7.959 6.911 ( -6.434 -17.320 -0.556) 18.485 7.510 ( -0.364 -14.436 -0.383) 14.445 8.997 ( 0.553 -10.957 0.029) 10.971 9.591 ( 1.157 -11.338 0.047) 11.397 9.958 ( 2.470 -6.740 -0.034) 7.178 10.115 ( -3.530 -4.747 0.067) 5.916 10.413 ( -3.057 0.303 -1.065) 3.251 10.476 ( 6.866 -3.397 -0.066) 7.661 10.678 ( -5.047 2.802 -0.833) 5.832 11.191 ( 4.918 4.240 3.056) 7.177 11.335 ( -3.610 3.817 -3.323) 6.217 11.527 ( -3.151 -3.470 0.026) 4.687 11.828 ( -10.518 -5.678 -5.440) 13.132 12.580 ( -1.432 1.485 19.725) 19.833 12.684 ( -3.155 -3.336 -0.094) 4.593 13.456 ( 3.263 0.052 -2.644) 4.200 14.591 ( 4.363 8.232 -2.363) 9.612 15.442 ( -7.317 9.233 -5.421) 12.968 15.655 ( -4.395 7.970 0.927) 9.149 16.516 ( 9.065 6.258 -0.410) 11.023 18.232 ( -1.653 -12.087 0.388) 12.205 18.295 ( -6.395 -21.122 0.161) 22.070 20.368 ( 7.076 5.647 -6.056) 10.892 20.495 ( 12.240 4.105 -2.507) 13.152 24.649 ( 4.774 1.404 -1.335) 5.152 25.418 ( 4.103 17.909 6.619) 19.529 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 5.487 -3.784 -10.816) 12.705 1.201 ( 16.200 -3.858 -0.014) 16.653 1.530 ( 13.608 -12.744 -1.129) 18.678 1.697 ( -4.839 -18.014 1.217) 18.693 2.108 ( -0.314 1.160 -0.140) 1.210 2.338 ( -0.173 -3.006 -1.049) 3.188 2.601 ( -3.057 -5.493 1.065) 6.376 2.705 ( 1.215 -7.553 -0.053) 7.650 2.794 ( -1.879 -4.562 3.648) 6.136 2.877 ( 3.718 -3.959 -4.686) 7.174 3.101 ( -0.877 -4.778 3.002) 5.711 3.124 ( 6.248 2.383 1.878) 6.946 3.348 ( -2.017 2.788 -1.945) 3.953 3.391 ( -4.941 2.152 -0.125) 5.391 3.445 ( -3.505 0.028 -0.690) 3.572 3.558 ( 2.480 0.168 -0.237) 2.497 3.766 ( 3.066 -0.155 1.938) 3.631 3.810 ( -1.581 -2.398 1.209) 3.117 3.994 ( -4.677 -0.558 0.180) 4.714 4.283 ( -7.477 -0.471 2.863) 8.020 4.442 ( -1.392 -4.744 2.601) 5.586 4.569 ( -0.904 2.711 -2.522) 3.812 4.704 ( -1.123 3.589 -0.114) 3.762 4.774 ( -0.273 -4.639 -6.378) 7.891 5.124 ( 2.847 -1.110 -0.935) 3.196 5.238 ( 0.567 2.862 -2.532) 3.863 5.392 ( -9.865 3.456 1.466) 10.555 5.437 ( 4.148 -0.743 0.314) 4.225 5.588 ( 8.055 0.099 0.745) 8.090 5.833 ( 8.363 1.396 4.435) 9.569 5.963 ( -0.347 -1.253 2.595) 2.903 6.126 ( 3.289 3.413 -2.588) 5.400 6.292 ( -3.904 2.795 2.303) 5.325 6.402 ( 6.472 5.406 -2.773) 8.877 7.204 ( -5.058 -20.275 0.216) 20.898 7.836 ( -0.803 -21.573 -0.496) 21.593 9.202 ( -1.447 -9.416 -0.092) 9.527 9.798 ( 6.538 -5.951 -0.018) 8.841 10.080 ( 3.907 -4.205 0.239) 5.745 10.232 ( -0.682 -7.576 -0.534) 7.626 10.438 ( -5.746 -10.444 0.067) 11.921 10.550 ( -2.866 6.426 0.343) 7.045 10.654 ( 5.418 -8.104 -0.518) 9.762 11.105 ( 3.367 3.699 2.032) 5.399 11.337 ( -6.353 -5.715 -1.581) 8.690 11.583 ( -0.921 -3.671 -0.413) 3.807 11.889 ( -8.494 -10.627 -2.573) 13.845 12.561 ( 2.374 0.903 8.386) 8.762 12.754 ( -1.521 -6.370 -0.530) 6.571 13.460 ( -4.397 -1.576 -1.725) 4.979 14.441 ( 6.949 13.463 -0.248) 15.152 15.178 ( -6.680 13.503 -2.891) 15.340 15.431 ( -4.985 12.305 0.759) 13.298 16.420 ( 7.187 11.802 -0.149) 13.819 18.482 ( -2.746 -17.160 0.058) 17.378 18.616 ( -9.911 -21.390 0.508) 23.580 20.298 ( 7.416 8.445 -3.885) 11.891 20.485 ( 11.367 7.531 0.188) 13.637 24.646 ( 3.511 2.662 -1.083) 4.537 25.153 ( 6.630 16.310 3.183) 17.892 ======================= Grid point 26 (19/141) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 12.798 -5.337 -7.349) 15.693 1.435 ( 17.098 -6.758 -1.301) 18.431 1.760 ( 5.140 -2.237 -2.362) 6.083 1.848 ( 2.409 -1.361 0.709) 2.856 2.137 ( -1.266 -7.050 1.213) 7.265 2.368 ( -5.713 -5.502 3.627) 8.722 2.608 ( -7.266 -3.438 0.749) 8.073 2.780 ( 3.071 -2.819 1.289) 4.363 2.880 ( 1.572 0.382 -1.382) 2.128 2.930 ( 3.023 5.308 2.239) 6.506 3.085 ( -7.924 -0.718 -3.244) 8.592 3.173 ( -2.773 -0.504 1.274) 3.094 3.235 ( -0.342 4.290 -2.302) 4.881 3.353 ( -12.560 -7.259 -1.500) 14.585 3.496 ( 1.214 -3.849 0.816) 4.118 3.626 ( 4.925 -1.737 0.149) 5.225 3.812 ( 4.098 -0.871 0.728) 4.252 3.911 ( 7.448 -4.642 2.550) 9.139 4.001 ( 2.548 -2.054 1.419) 3.567 4.207 ( -5.979 2.533 0.884) 6.553 4.407 ( -6.396 3.675 -3.839) 8.316 4.597 ( -1.356 -4.834 5.664) 7.569 4.634 ( -3.507 -0.747 -3.426) 4.959 4.883 ( -1.488 -7.610 -3.253) 8.409 5.131 ( 0.304 2.240 -3.435) 4.113 5.234 ( 2.955 -1.539 -2.256) 4.024 5.284 ( -7.032 0.742 3.429) 7.859 5.415 ( 1.098 2.447 1.476) 3.061 5.666 ( 11.025 2.186 -0.838) 11.271 5.861 ( 8.297 3.694 2.891) 9.531 5.962 ( 1.983 3.497 2.196) 4.581 6.098 ( 0.368 0.025 -1.093) 1.153 6.238 ( -4.678 -0.149 1.988) 5.085 6.361 ( 2.369 3.376 -2.478) 4.811 7.531 ( -2.296 -18.972 0.449) 19.116 8.226 ( -1.271 -22.093 -0.415) 22.134 9.262 ( -5.802 -1.869 -0.133) 6.097 9.873 ( 7.816 3.479 -0.297) 8.560 10.120 ( 0.942 3.603 -0.275) 3.735 10.321 ( 0.508 6.120 0.731) 6.185 10.455 ( 2.970 -7.962 0.174) 8.499 10.645 ( 6.699 -8.164 0.243) 10.564 10.808 ( -2.052 -5.789 0.050) 6.143 11.235 ( -4.985 -16.797 -0.849) 17.541 11.408 ( -2.959 -7.515 1.182) 8.163 11.614 ( -2.321 -1.199 -0.863) 2.751 12.086 ( -4.464 -16.541 -0.975) 17.160 12.605 ( 8.010 -2.017 2.911) 8.758 12.862 ( -0.239 -5.577 -0.532) 5.608 13.467 ( -10.745 -6.720 -0.882) 12.704 14.223 ( 5.860 16.942 0.372) 17.930 14.890 ( -3.750 12.747 -1.524) 13.374 15.175 ( -5.023 10.697 0.720) 11.839 16.213 ( 4.803 16.671 -0.100) 17.350 18.775 ( -2.967 -17.865 -0.165) 18.110 18.896 ( -9.057 -18.745 0.454) 20.824 20.183 ( 6.370 10.778 -1.907) 12.664 20.411 ( 9.477 9.893 0.602) 13.713 24.611 ( 1.439 3.298 -0.914) 3.713 24.941 ( 4.750 12.843 1.608) 13.788 ======================= Grid point 27 (20/141) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 17.819 -6.438 -4.410) 19.452 1.682 ( 10.672 -1.751 0.859) 10.849 1.744 ( 5.988 -0.418 -2.390) 6.461 1.880 ( 6.560 0.348 -0.001) 6.569 2.267 ( -2.350 -6.307 2.249) 7.096 2.444 ( -2.711 -5.286 3.224) 6.759 2.660 ( -0.107 -3.048 -3.395) 4.564 2.746 ( -7.680 4.162 2.375) 9.052 2.804 ( 2.162 3.072 0.865) 3.855 2.840 ( -0.236 7.394 -1.296) 7.510 3.027 ( -9.724 -0.526 2.525) 10.060 3.156 ( -0.285 -1.352 -0.885) 1.641 3.213 ( -1.091 -1.220 -3.647) 3.997 3.391 ( -11.924 -6.132 -1.363) 13.477 3.516 ( -6.472 -0.938 2.751) 7.095 3.694 ( 7.039 0.043 0.979) 7.107 3.815 ( 3.374 2.416 0.256) 4.157 3.979 ( -3.023 6.601 0.030) 7.260 4.043 ( 0.292 -0.118 -0.856) 0.912 4.143 ( 9.099 -0.475 1.827) 9.293 4.384 ( -4.819 -5.620 -1.779) 7.614 4.596 ( -5.960 -4.771 -1.050) 7.706 4.751 ( 0.248 -7.272 2.835) 7.809 4.997 ( 1.097 -4.724 -1.377) 5.042 5.112 ( 1.340 -1.217 -5.594) 5.880 5.240 ( -4.529 -1.451 0.468) 4.779 5.298 ( -1.889 -2.684 2.255) 3.982 5.413 ( 5.783 0.210 1.253) 5.921 5.660 ( 9.906 7.874 -1.467) 12.739 5.778 ( 2.409 9.667 1.437) 10.066 5.941 ( 6.552 2.017 2.034) 7.151 6.112 ( -0.759 -1.063 0.616) 1.444 6.209 ( -4.910 -0.487 1.003) 5.035 6.306 ( -2.958 2.868 -2.453) 4.795 7.807 ( -0.307 -12.199 0.303) 12.207 8.548 ( -2.436 -14.087 -0.183) 14.297 9.252 ( -4.326 -2.966 -0.051) 5.246 9.835 ( 6.233 5.467 -0.464) 8.304 9.979 ( -3.275 9.226 0.114) 9.791 10.202 ( 0.613 4.840 0.333) 4.890 10.637 ( 5.040 -3.239 0.637) 6.025 10.809 ( 10.597 -1.307 -0.019) 10.678 10.863 ( -1.738 -3.086 -0.174) 3.547 11.396 ( -11.058 -10.208 -0.568) 15.060 11.599 ( -3.486 -0.295 -0.581) 3.547 11.620 ( 0.693 -13.308 0.883) 13.356 12.360 ( -1.777 -15.794 -0.267) 15.895 12.757 ( 10.263 -3.569 0.716) 10.889 12.912 ( 0.527 1.004 -0.335) 1.183 13.552 ( -9.953 -13.175 -0.284) 16.514 13.941 ( 1.044 16.274 0.122) 16.308 14.724 ( 1.917 3.776 -0.618) 4.280 15.023 ( -4.208 1.046 0.588) 4.375 15.914 ( 1.930 19.526 -0.122) 19.621 19.057 ( -2.010 -15.724 -0.306) 15.855 19.148 ( -6.444 -16.737 0.432) 17.940 20.008 ( 3.967 13.784 -0.941) 14.375 20.291 ( 7.011 10.724 0.619) 12.827 24.555 ( -0.624 3.229 -0.767) 3.377 24.769 ( 2.136 9.512 0.891) 9.789 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 11.840 3.124 -5.027) 13.236 1.612 ( 3.177 0.076 3.769) 4.930 1.820 ( 4.916 2.810 -0.315) 5.671 2.086 ( 17.903 -9.130 -0.070) 20.097 2.300 ( -3.218 1.835 1.472) 3.986 2.394 ( -3.954 7.095 -0.042) 8.122 2.590 ( -9.773 4.134 0.449) 10.621 2.625 ( -4.075 4.402 -0.692) 6.038 2.783 ( -2.007 -6.008 -0.084) 6.335 2.874 ( 0.800 -5.707 -0.691) 5.804 2.988 ( -3.216 -1.323 2.609) 4.347 3.144 ( -2.675 0.414 -0.508) 2.755 3.265 ( 6.957 -0.366 -4.786) 8.452 3.377 ( -6.851 -0.565 1.115) 6.964 3.429 ( -9.406 3.898 2.844) 10.572 3.681 ( 2.443 4.541 -0.091) 5.157 3.748 ( -4.540 3.017 -0.053) 5.451 3.924 ( 8.221 -1.785 2.404) 8.750 4.036 ( -3.620 -1.043 -3.496) 5.140 4.252 ( 5.893 -1.970 2.491) 6.694 4.438 ( -4.370 -5.624 -2.500) 7.549 4.696 ( -0.123 -6.704 -0.610) 6.733 4.814 ( -1.709 0.168 2.874) 3.348 5.081 ( 8.663 -0.936 -1.970) 8.934 5.196 ( -0.790 -6.291 -4.626) 7.848 5.241 ( -3.805 -2.316 0.212) 4.460 5.276 ( -4.722 2.664 3.330) 6.362 5.500 ( 4.350 -1.278 0.433) 4.554 5.549 ( 5.799 7.462 0.251) 9.453 5.618 ( 0.397 8.066 0.876) 8.123 5.976 ( 7.486 0.445 1.324) 7.615 6.112 ( -0.731 1.356 -0.369) 1.584 6.162 ( -5.597 1.741 0.906) 5.931 6.217 ( -4.109 2.574 -1.976) 5.235 7.932 ( 0.192 -1.585 0.037) 1.597 8.663 ( -2.438 -1.608 0.044) 2.921 9.245 ( -1.402 4.323 0.010) 4.544 9.822 ( 1.565 3.129 -0.123) 3.500 9.879 ( -0.148 -6.578 0.162) 6.581 10.133 ( -0.169 3.496 -0.025) 3.501 10.629 ( 1.627 6.208 0.335) 6.427 10.777 ( 2.932 10.627 -0.145) 11.025 10.906 ( 0.512 -2.127 -0.099) 2.190 11.524 ( -4.661 -10.259 0.010) 11.268 11.574 ( -1.233 0.077 -0.378) 1.292 11.832 ( 1.143 -10.299 0.299) 10.367 12.558 ( -0.460 -0.116 -0.049) 0.477 12.732 ( 2.892 7.027 -0.167) 7.601 12.814 ( -0.218 9.813 0.207) 9.818 13.721 ( 1.712 3.405 0.049) 3.812 13.841 ( -4.098 -18.403 -0.008) 18.854 14.795 ( 4.912 -7.955 -0.237) 9.352 15.089 ( -2.090 -10.893 0.285) 11.095 15.578 ( -1.614 17.000 -0.132) 17.076 19.291 ( -1.198 -11.975 -0.200) 12.037 19.398 ( -1.618 -14.967 0.403) 15.059 19.751 ( 0.452 17.062 -0.738) 17.084 20.148 ( 3.802 10.129 0.638) 10.838 24.492 ( -1.625 2.683 -0.512) 3.178 24.639 ( 0.383 6.198 0.420) 6.224 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 18.101 -0.000) 18.101 1.764 ( -0.000 5.539 -0.000) 5.539 1.793 ( 0.000 -5.626 0.000) 5.626 1.961 ( -0.000 23.516 -0.000) 23.516 2.343 ( 0.000 -9.576 0.000) 9.576 2.382 ( 0.000 -1.089 0.000) 1.089 2.432 ( -0.000 10.393 -0.000) 10.393 2.621 ( 0.000 -7.306 0.000) 7.306 2.881 ( -0.000 8.264 -0.000) 8.264 2.906 ( 0.000 -7.240 0.000) 7.240 3.037 ( 0.000 -4.553 0.000) 4.553 3.097 ( -0.000 2.976 -0.000) 2.976 3.283 ( -0.000 0.408 -0.000) 0.408 3.304 ( -0.000 3.518 -0.000) 3.518 3.358 ( 0.000 -2.915 0.000) 2.915 3.677 ( 0.000 -2.997 0.000) 2.997 3.761 ( 0.000 -5.524 0.000) 5.524 3.996 ( 0.000 -0.941 0.000) 0.941 4.043 ( 0.000 -1.988 0.000) 1.988 4.283 ( -0.000 0.935 -0.000) 0.935 4.535 ( 0.000 -5.804 0.000) 5.804 4.752 ( -0.000 4.653 -0.000) 4.653 4.764 ( -0.000 0.148 -0.000) 0.148 5.110 ( -0.000 11.558 -0.000) 11.558 5.120 ( -0.000 1.541 -0.000) 1.541 5.253 ( -0.000 6.877 -0.000) 6.877 5.283 ( 0.000 -5.366 0.000) 5.366 5.388 ( 0.000 -0.278 0.000) 0.278 5.518 ( -0.000 3.200 -0.000) 3.200 5.684 ( 0.000 -8.380 0.000) 8.380 6.030 ( -0.000 5.732 -0.000) 5.732 6.040 ( -0.000 4.529 -0.000) 4.529 6.044 ( 0.000 -1.051 0.000) 1.051 6.208 ( 0.000 -1.997 0.000) 1.997 7.878 ( -0.000 7.146 -0.000) 7.146 8.568 ( -0.000 11.959 -0.000) 11.959 9.128 ( -0.000 4.188 -0.000) 4.188 9.749 ( -0.000 6.918 -0.000) 6.918 10.071 ( -0.000 3.363 -0.000) 3.363 10.129 ( 0.000 -17.665 0.000) 17.665 10.482 ( -0.000 9.938 -0.000) 9.938 10.575 ( -0.000 10.341 -0.000) 10.341 10.937 ( 0.000 -1.080 0.000) 1.080 11.480 ( -0.000 9.100 -0.000) 9.100 11.699 ( 0.000 -6.251 0.000) 6.251 12.003 ( 0.000 -7.375 0.000) 7.375 12.223 ( -0.000 22.278 -0.000) 22.278 12.587 ( -0.000 13.071 -0.000) 13.071 12.822 ( 0.000 -5.791 0.000) 5.791 13.733 ( 0.000 -5.854 0.000) 5.854 14.075 ( 0.000 -3.260 0.000) 3.260 15.031 ( 0.000 -14.503 0.000) 14.503 15.347 ( 0.000 -17.125 0.000) 17.125 15.363 ( -0.000 2.647 -0.000) 2.647 19.397 ( -0.000 19.638 -0.000) 19.638 19.477 ( 0.000 -7.284 0.000) 7.284 19.650 ( 0.000 -12.845 0.000) 12.845 19.996 ( -0.000 8.305 -0.000) 8.305 24.443 ( -0.000 1.813 -0.000) 1.813 24.557 ( -0.000 3.143 -0.000) 3.143 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -11.583 0.000 -4.689) 12.497 0.990 ( 28.678 -0.000 -15.816) 32.750 1.050 ( -10.230 0.000 10.445) 14.620 1.315 ( 26.027 -0.000 -2.833) 26.180 2.111 ( 11.362 -0.000 -2.964) 11.742 2.193 ( 15.043 -0.000 -0.013) 15.043 2.450 ( 5.602 -0.000 1.786) 5.880 2.555 ( 0.955 -0.000 -6.433) 6.503 2.624 ( -11.673 0.000 3.061) 12.068 2.890 ( -8.870 0.000 8.947) 12.598 3.035 ( -3.899 0.000 -3.380) 5.160 3.189 ( 13.596 -0.000 4.131) 14.209 3.349 ( 0.405 -0.000 0.532) 0.669 3.391 ( -1.301 0.000 -2.406) 2.735 3.496 ( -5.477 0.000 -1.178) 5.602 3.633 ( -1.353 0.000 1.814) 2.263 3.791 ( -4.778 0.000 1.879) 5.134 3.889 ( -0.292 0.000 0.153) 0.330 3.988 ( -8.079 0.000 -0.661) 8.106 4.095 ( -8.208 0.000 0.472) 8.221 4.392 ( -3.300 0.000 6.931) 7.677 4.610 ( 5.258 -0.000 -6.330) 8.229 4.701 ( -4.173 0.000 -2.435) 4.831 4.836 ( 3.716 -0.000 -0.095) 3.717 5.085 ( -0.933 0.000 -3.637) 3.754 5.298 ( -1.493 0.000 -0.841) 1.714 5.328 ( 14.599 -0.000 0.922) 14.628 5.496 ( -8.349 0.000 0.180) 8.351 5.709 ( 7.981 -0.000 -0.166) 7.983 5.785 ( 5.001 -0.000 2.790) 5.727 5.942 ( -10.392 0.000 5.943) 11.971 6.175 ( 2.875 -0.000 -2.495) 3.807 6.481 ( -0.666 0.000 -0.349) 0.752 6.577 ( 8.727 -0.000 -2.779) 9.159 6.662 ( -5.292 0.000 0.018) 5.292 7.371 ( -0.326 0.000 -0.240) 0.404 8.891 ( 0.435 -0.000 0.069) 0.440 9.438 ( -3.142 0.000 -0.021) 3.142 9.912 ( 2.706 -0.000 -0.050) 2.706 10.069 ( -1.293 0.000 0.099) 1.297 10.362 ( -7.929 0.000 -0.739) 7.964 10.525 ( 10.804 -0.000 -0.039) 10.804 10.665 ( -3.960 0.000 -0.378) 3.978 11.237 ( 4.006 -0.000 -0.808) 4.087 11.372 ( -8.381 0.000 -0.025) 8.381 11.512 ( 2.555 -0.000 0.020) 2.556 11.672 ( -10.769 0.000 -2.937) 11.162 12.580 ( -1.734 0.000 16.519) 16.610 12.621 ( -3.897 0.000 -0.004) 3.897 13.502 ( 3.971 -0.000 -2.861) 4.894 14.699 ( 4.977 -0.000 -0.770) 5.036 15.458 ( -9.309 0.000 -5.521) 10.823 15.713 ( -1.893 0.000 0.082) 1.895 16.637 ( 7.151 -0.000 -0.414) 7.163 18.069 ( 0.469 -0.000 0.080) 0.476 18.129 ( -0.152 0.000 -0.077) 0.171 20.466 ( 5.425 -0.000 -5.611) 7.805 20.627 ( 11.538 -0.000 -0.634) 11.555 24.702 ( 4.933 -0.000 -1.151) 5.066 25.577 ( -3.529 0.000 5.177) 6.265 ======================= Grid point 35 (24/141) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.423 -7.103 -4.128) 8.900 1.092 ( -7.398 -13.958 2.127) 15.940 1.353 ( 21.961 -13.881 -7.276) 26.980 1.565 ( 23.013 -5.005 -2.126) 23.647 2.130 ( -0.086 0.681 -0.508) 0.854 2.325 ( 2.849 0.117 -2.425) 3.743 2.498 ( -13.396 -0.910 4.173) 14.061 2.573 ( 9.667 -8.264 2.234) 12.912 2.636 ( -4.928 -5.639 -2.322) 7.840 2.836 ( -4.181 -2.306 0.532) 4.804 3.034 ( -0.482 -2.654 2.684) 3.806 3.232 ( 1.601 3.024 0.659) 3.485 3.368 ( 4.300 1.698 -1.757) 4.946 3.423 ( 7.190 0.810 1.750) 7.445 3.455 ( -0.911 0.803 -1.441) 1.885 3.606 ( -0.690 1.917 0.133) 2.042 3.757 ( -1.217 -0.221 1.426) 1.888 3.808 ( 1.352 3.083 1.534) 3.700 3.931 ( -7.564 -1.036 -0.656) 7.662 4.152 ( -4.561 -7.072 0.516) 8.431 4.364 ( -6.097 -1.550 4.233) 7.582 4.624 ( 1.410 2.624 -2.322) 3.777 4.677 ( -3.154 -1.958 -1.314) 3.938 4.822 ( 2.863 4.451 -2.190) 5.727 5.101 ( 0.051 -2.075 -3.591) 4.148 5.270 ( -1.503 1.513 -0.936) 2.329 5.384 ( -7.410 3.746 0.879) 8.349 5.468 ( 7.725 -1.875 0.420) 7.961 5.672 ( 4.592 3.891 0.185) 6.022 5.886 ( 5.982 -2.432 2.333) 6.866 5.892 ( -5.803 -2.843 5.023) 8.184 6.190 ( 2.735 1.030 -2.822) 4.062 6.364 ( -1.291 7.380 1.423) 7.626 6.579 ( 7.971 6.492 -2.489) 10.577 6.821 ( -4.776 -16.971 0.126) 17.630 7.504 ( -0.377 -14.206 -0.270) 14.214 9.009 ( 0.824 -10.891 0.024) 10.922 9.579 ( -2.244 -16.382 0.008) 16.535 9.993 ( 1.843 -6.732 -0.058) 6.980 10.073 ( -1.666 -2.850 0.073) 3.302 10.314 ( -6.206 -1.308 -0.376) 6.354 10.604 ( 0.741 2.027 0.180) 2.165 10.643 ( 6.712 -1.272 -0.359) 6.841 11.226 ( -8.756 5.672 -1.698) 10.570 11.277 ( 5.691 0.921 2.189) 6.167 11.527 ( 1.665 -2.223 -0.033) 2.778 11.666 ( -9.599 -6.043 -2.235) 11.561 12.570 ( -0.240 -0.217 9.212) 9.217 12.635 ( -2.864 -4.550 -0.142) 5.378 13.487 ( 0.993 3.823 -2.068) 4.459 14.679 ( 6.435 7.107 0.242) 9.591 15.313 ( -8.503 7.738 -3.761) 12.097 15.608 ( -1.777 9.694 0.169) 9.857 16.631 ( 5.410 6.168 -0.216) 8.207 18.202 ( -1.832 -12.367 0.338) 12.506 18.241 ( -1.475 -13.054 -0.234) 13.140 20.464 ( 5.026 4.505 -3.854) 7.772 20.674 ( 9.630 4.138 0.531) 10.495 24.720 ( 3.924 2.038 -0.836) 4.500 25.440 ( -0.322 11.405 2.892) 11.770 ======================= Grid point 36 (25/141) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 5.465 -9.388 -5.730) 12.282 1.354 ( 1.903 -16.517 -0.548) 16.635 1.743 ( 13.076 -8.666 -0.190) 15.688 1.791 ( 15.898 -4.453 -3.315) 16.840 2.104 ( -0.358 2.081 -1.444) 2.559 2.256 ( -9.017 0.220 2.769) 9.435 2.450 ( -12.415 -5.352 4.147) 14.141 2.707 ( 0.418 -6.316 1.759) 6.570 2.802 ( -0.156 -9.503 -0.288) 9.508 2.918 ( 0.886 -7.147 -5.911) 9.317 3.080 ( -0.353 -0.426 3.876) 3.915 3.147 ( -4.770 3.477 -0.454) 5.920 3.292 ( -3.406 9.602 0.391) 10.196 3.353 ( 1.725 6.334 -0.830) 6.617 3.474 ( 3.376 -1.323 -1.068) 3.780 3.629 ( 3.184 -2.100 -0.077) 3.815 3.795 ( 0.240 -1.938 1.510) 2.468 3.885 ( 9.564 -5.472 2.225) 11.242 3.943 ( 1.773 -5.275 -0.511) 5.588 4.183 ( -4.252 -0.122 1.423) 4.485 4.356 ( -9.659 -3.582 -0.775) 10.331 4.572 ( 0.990 2.669 0.743) 2.942 4.694 ( -0.078 5.247 0.444) 5.267 4.750 ( -2.895 -3.051 -3.192) 5.280 5.136 ( 0.386 -1.076 -4.907) 5.039 5.235 ( -1.652 0.811 1.300) 2.254 5.265 ( -4.890 2.590 1.114) 5.645 5.468 ( -0.151 2.550 0.813) 2.681 5.747 ( 10.384 -2.567 -0.776) 10.724 5.925 ( 1.614 -2.597 4.965) 5.831 5.958 ( 1.260 -2.013 0.645) 2.461 6.171 ( 1.399 3.435 -3.949) 5.417 6.226 ( -3.164 5.610 3.320) 7.246 6.499 ( 4.990 7.934 -1.874) 9.558 7.140 ( -2.985 -21.607 0.261) 21.814 7.825 ( -0.529 -21.178 -0.249) 21.187 9.177 ( -1.479 -5.494 -0.046) 5.690 9.854 ( 1.383 -10.925 -0.024) 11.012 10.157 ( 5.363 -7.026 0.083) 8.840 10.228 ( 0.304 -11.444 -0.096) 11.449 10.335 ( -6.408 -12.564 0.112) 14.104 10.511 ( -1.801 5.990 0.077) 6.255 10.736 ( 4.385 -2.287 0.059) 4.946 11.093 ( -4.889 0.990 -1.524) 5.216 11.324 ( 4.703 -1.522 2.561) 5.568 11.584 ( -0.061 -1.140 -0.718) 1.348 11.762 ( -6.753 -14.185 -1.430) 15.775 12.599 ( 2.036 -2.679 3.958) 5.195 12.730 ( -1.362 -7.586 -0.351) 7.715 13.400 ( -2.853 4.285 -1.055) 5.255 14.548 ( 5.977 13.349 0.467) 14.634 15.076 ( -5.767 11.598 -2.192) 13.136 15.372 ( -2.419 13.976 0.481) 14.192 16.504 ( 3.468 12.023 -0.096) 12.514 18.448 ( -1.408 -16.599 0.031) 16.659 18.506 ( -4.339 -17.916 0.086) 18.434 20.392 ( 4.238 7.717 -1.926) 9.012 20.634 ( 6.852 7.619 0.611) 10.265 24.692 ( 2.134 3.753 -0.567) 4.354 25.215 ( 1.860 13.971 1.345) 14.158 ======================= Grid point 37 (26/141) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 7.275 -10.158 -3.794) 13.058 1.687 ( 6.668 -14.949 -1.410) 16.429 1.772 ( 6.837 4.799 -0.129) 8.355 1.955 ( 4.398 1.455 0.095) 4.634 2.094 ( -5.767 -3.555 0.566) 6.799 2.287 ( -1.889 -9.481 3.000) 10.122 2.515 ( -3.972 -9.033 -0.035) 9.868 2.790 ( -1.679 0.417 2.016) 2.656 2.915 ( 2.218 0.289 -0.361) 2.266 2.965 ( 1.172 7.067 -0.592) 7.188 3.009 ( 1.838 3.191 -1.102) 3.844 3.092 ( -6.915 -3.713 -0.262) 7.853 3.162 ( -7.845 -0.710 -0.215) 7.880 3.258 ( 0.967 1.904 -1.567) 2.649 3.493 ( -0.784 0.750 0.668) 1.274 3.702 ( 2.424 -3.318 0.676) 4.165 3.830 ( 0.618 -2.163 -0.154) 2.255 4.039 ( 6.319 -2.857 2.101) 7.246 4.058 ( -0.218 2.091 1.103) 2.373 4.181 ( 4.864 -3.726 -0.386) 6.139 4.307 ( -5.781 0.303 -2.543) 6.323 4.529 ( -3.755 4.272 0.618) 5.721 4.607 ( -1.889 -5.283 -0.194) 5.614 4.866 ( -0.212 -8.420 -0.075) 8.423 5.137 ( 1.147 0.894 -6.028) 6.201 5.190 ( -4.077 0.356 5.292) 6.690 5.254 ( -0.110 -1.361 -0.587) 1.486 5.450 ( 1.802 0.091 0.485) 1.868 5.832 ( 8.447 2.629 -1.378) 8.954 5.950 ( 1.185 5.813 1.345) 6.083 5.983 ( 1.423 -1.352 2.205) 2.952 6.092 ( -0.701 1.485 -0.744) 1.803 6.162 ( -3.587 -0.293 0.648) 3.657 6.384 ( 0.625 7.186 -1.179) 7.309 7.508 ( -0.703 -20.238 0.181) 20.251 8.210 ( -0.596 -21.446 -0.128) 21.455 9.191 ( -2.525 -0.314 -0.041) 2.545 9.959 ( 3.043 0.421 -0.115) 3.075 10.119 ( -0.638 8.814 -0.096) 8.837 10.323 ( -0.113 8.043 0.269) 8.049 10.516 ( 3.274 -14.197 0.180) 14.570 10.709 ( 0.897 -17.684 0.118) 17.708 10.800 ( 1.157 -4.401 0.048) 4.550 11.132 ( -5.111 -8.425 -0.902) 9.895 11.420 ( 2.020 -7.324 1.456) 7.736 11.577 ( -1.964 0.101 -0.809) 2.127 12.037 ( -1.627 -18.598 -0.358) 18.672 12.713 ( 4.486 -7.142 1.140) 8.511 12.855 ( -0.543 -6.380 -0.270) 6.408 13.334 ( -5.032 -1.973 -0.379) 5.418 14.293 ( 2.546 18.990 0.209) 19.161 14.849 ( -1.411 9.518 -0.802) 9.655 15.116 ( -2.078 11.410 0.380) 11.604 16.262 ( 1.495 17.207 -0.045) 17.272 18.753 ( 0.351 -17.611 -0.257) 17.616 18.790 ( -4.400 -17.842 0.307) 18.379 20.254 ( 2.385 10.819 -0.653) 11.098 20.518 ( 3.615 9.830 0.321) 10.479 24.627 ( 0.486 4.483 -0.331) 4.521 24.986 ( 1.272 12.914 0.518) 12.987 ======================= Grid point 38 (27/141) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 -10.550 0.000) 10.550 1.680 ( -0.000 4.360 -0.000) 4.360 1.896 ( -0.000 3.729 -0.000) 3.729 2.081 ( 0.000 -15.412 0.000) 15.412 2.090 ( 0.000 -3.468 0.000) 3.468 2.451 ( 0.000 -4.266 0.000) 4.266 2.654 ( 0.000 -5.795 0.000) 5.795 2.662 ( -0.000 6.076 -0.000) 6.076 2.807 ( -0.000 13.263 -0.000) 13.263 2.840 ( -0.000 4.095 -0.000) 4.095 2.951 ( 0.000 -0.199 0.000) 0.199 3.134 ( 0.000 -0.327 0.000) 0.327 3.214 ( 0.000 -7.635 0.000) 7.635 3.306 ( 0.000 -3.973 0.000) 3.973 3.450 ( -0.000 2.854 -0.000) 2.854 3.751 ( -0.000 0.198 -0.000) 0.198 3.856 ( -0.000 3.715 -0.000) 3.715 3.989 ( -0.000 5.857 -0.000) 5.857 3.989 ( -0.000 1.657 -0.000) 1.657 4.244 ( 0.000 -2.083 0.000) 2.083 4.334 ( 0.000 -3.323 0.000) 3.323 4.554 ( 0.000 -7.833 0.000) 7.833 4.736 ( 0.000 -7.604 0.000) 7.604 5.017 ( 0.000 -8.122 0.000) 8.122 5.149 ( 0.000 -1.211 0.000) 1.211 5.169 ( 0.000 -0.698 0.000) 0.698 5.275 ( 0.000 -0.912 0.000) 0.912 5.472 ( 0.000 -1.272 0.000) 1.272 5.774 ( -0.000 7.701 -0.000) 7.701 5.777 ( -0.000 11.637 -0.000) 11.637 6.008 ( 0.000 -0.328 0.000) 0.328 6.104 ( 0.000 -1.234 0.000) 1.234 6.158 ( 0.000 -0.273 0.000) 0.273 6.270 ( -0.000 5.308 -0.000) 5.308 7.806 ( 0.000 -12.560 0.000) 12.560 8.526 ( 0.000 -13.024 0.000) 13.024 9.217 ( 0.000 -4.053 0.000) 4.053 9.914 ( -0.000 5.400 -0.000) 5.400 9.923 ( -0.000 9.840 -0.000) 9.840 10.206 ( -0.000 4.917 -0.000) 4.917 10.686 ( 0.000 -2.139 0.000) 2.139 10.843 ( 0.000 -4.217 0.000) 4.217 10.920 ( -0.000 0.603 -0.000) 0.603 11.284 ( 0.000 -12.107 0.000) 12.107 11.569 ( 0.000 -0.249 0.000) 0.249 11.626 ( 0.000 -13.023 0.000) 13.023 12.346 ( 0.000 -16.039 0.000) 16.039 12.851 ( 0.000 -2.251 0.000) 2.251 12.916 ( -0.000 0.525 -0.000) 0.525 13.459 ( 0.000 -15.910 0.000) 15.910 13.951 ( -0.000 18.377 -0.000) 18.377 14.745 ( -0.000 1.135 -0.000) 1.135 14.984 ( -0.000 1.231 -0.000) 1.231 15.928 ( -0.000 20.457 -0.000) 20.457 19.047 ( 0.000 -14.794 0.000) 14.794 19.089 ( 0.000 -17.915 0.000) 17.915 20.041 ( -0.000 14.351 -0.000) 14.351 20.349 ( -0.000 10.615 -0.000) 10.615 24.550 ( -0.000 4.112 -0.000) 4.112 24.786 ( -0.000 9.985 -0.000) 9.985 ======================= Grid point 46 (28/141) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -6.521 0.000 -6.231) 9.019 0.883 ( -9.741 0.000 9.040) 13.290 1.443 ( 27.777 -0.000 -11.637) 30.116 1.715 ( 23.642 -0.000 -2.738) 23.800 2.129 ( -1.084 0.000 -0.766) 1.327 2.323 ( -12.297 0.000 5.488) 13.466 2.405 ( -1.457 0.000 -1.644) 2.197 2.492 ( -11.455 0.000 0.344) 11.460 2.609 ( 7.041 -0.000 2.375) 7.431 2.775 ( -1.809 0.000 -0.783) 1.971 2.992 ( -2.411 0.000 1.826) 3.025 3.267 ( 0.643 -0.000 -0.309) 0.714 3.417 ( 3.816 -0.000 -2.544) 4.586 3.435 ( -2.285 0.000 -1.529) 2.749 3.542 ( 10.261 -0.000 4.296) 11.124 3.617 ( 4.980 -0.000 0.324) 4.990 3.775 ( 3.726 -0.000 0.831) 3.817 3.844 ( -7.976 0.000 -0.028) 7.976 3.897 ( 1.708 -0.000 0.357) 1.745 4.020 ( -2.443 0.000 0.296) 2.460 4.284 ( -10.065 0.000 1.780) 10.221 4.622 ( -5.589 0.000 -1.261) 5.730 4.663 ( 0.658 -0.000 0.652) 0.927 4.887 ( 2.434 -0.000 -0.122) 2.437 5.088 ( 2.746 -0.000 -5.792) 6.409 5.271 ( -2.010 0.000 -0.535) 2.080 5.376 ( -5.968 0.000 0.191) 5.971 5.511 ( 8.014 -0.000 0.531) 8.032 5.723 ( -10.151 0.000 2.770) 10.523 5.813 ( 4.823 -0.000 -0.094) 4.824 5.903 ( 3.495 -0.000 3.716) 5.101 6.226 ( 3.025 -0.000 -2.282) 3.789 6.453 ( -1.684 0.000 0.666) 1.811 6.595 ( -2.933 0.000 0.003) 2.933 6.712 ( 6.577 -0.000 -1.300) 6.705 7.365 ( -0.365 0.000 -0.158) 0.398 8.900 ( 0.641 -0.000 0.038) 0.643 9.387 ( -2.880 0.000 -0.005) 2.880 9.946 ( 1.580 -0.000 -0.030) 1.581 10.055 ( -0.535 0.000 0.052) 0.538 10.247 ( -5.845 0.000 -0.241) 5.850 10.621 ( -1.624 0.000 0.041) 1.624 10.707 ( 11.477 -0.000 -0.008) 11.477 11.218 ( -10.192 0.000 -0.032) 10.192 11.298 ( 3.664 -0.000 -0.449) 3.692 11.527 ( -7.360 0.000 -0.593) 7.384 11.554 ( 2.176 -0.000 0.014) 2.176 12.565 ( -0.525 0.000 6.478) 6.499 12.567 ( -2.623 0.000 0.000) 2.623 13.540 ( 1.229 -0.000 -1.570) 1.994 14.793 ( 6.180 -0.000 0.713) 6.221 15.313 ( -8.194 0.000 -2.792) 8.657 15.695 ( -0.622 0.000 -0.430) 0.756 16.722 ( 3.614 -0.000 -0.178) 3.619 18.075 ( 0.306 -0.000 0.057) 0.311 18.127 ( -0.111 0.000 -0.056) 0.124 20.536 ( 3.245 -0.000 -2.759) 4.259 20.778 ( 6.922 -0.000 0.634) 6.951 24.768 ( 3.155 -0.000 -0.536) 3.200 25.528 ( -2.391 0.000 1.860) 3.029 ======================= Grid point 47 (29/141) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.893 -14.252 -1.090) 14.418 0.994 ( -3.822 -17.683 1.284) 18.137 1.718 ( 20.454 -7.413 -6.625) 22.742 1.915 ( 19.301 -1.927 -2.562) 19.566 2.125 ( -0.399 -0.619 -1.975) 2.108 2.230 ( -15.863 0.573 4.173) 16.412 2.244 ( -12.322 3.112 4.611) 13.520 2.562 ( -2.603 -9.265 -0.097) 9.625 2.673 ( 2.322 -3.415 0.637) 4.178 2.821 ( 0.772 -4.532 -2.681) 5.322 3.013 ( -1.483 -3.741 2.337) 4.654 3.216 ( -0.481 5.255 -0.526) 5.303 3.428 ( 2.802 1.724 0.151) 3.294 3.463 ( 0.610 -1.712 -1.826) 2.576 3.496 ( -2.201 6.732 1.039) 7.159 3.643 ( 4.499 4.219 0.429) 6.183 3.781 ( -1.326 0.498 -0.055) 1.418 3.846 ( 3.450 -4.025 -0.045) 5.301 3.911 ( 8.317 -2.617 1.814) 8.906 4.114 ( -0.773 -5.969 0.130) 6.021 4.215 ( -10.661 -1.784 -0.108) 10.810 4.608 ( -4.389 -3.343 -0.492) 5.539 4.640 ( 0.541 2.167 1.176) 2.525 4.854 ( 0.944 5.696 -0.608) 5.805 5.131 ( 3.782 -1.126 -5.413) 6.699 5.234 ( -3.386 1.550 2.926) 4.736 5.294 ( -2.759 3.850 -0.718) 4.791 5.510 ( -1.268 3.404 0.883) 3.738 5.737 ( 3.271 -6.320 -0.202) 7.119 5.845 ( -0.804 -1.706 1.876) 2.660 5.953 ( 2.131 -1.891 1.042) 3.034 6.209 ( -0.024 2.862 -1.010) 3.035 6.367 ( 0.966 7.114 0.575) 7.203 6.675 ( 3.766 6.507 -1.569) 7.680 6.762 ( -2.583 -16.555 0.710) 16.770 7.499 ( -0.165 -14.156 -0.105) 14.158 9.020 ( 0.461 -10.554 0.010) 10.564 9.543 ( -1.575 -17.935 -0.001) 18.004 10.014 ( 0.678 -6.816 -0.027) 6.850 10.056 ( -0.576 -2.839 0.006) 2.897 10.244 ( -2.261 -2.358 -0.053) 3.268 10.585 ( -0.804 3.102 0.056) 3.205 10.781 ( 6.967 0.993 0.059) 7.038 11.091 ( -6.673 3.783 -0.709) 7.703 11.378 ( 6.997 -1.104 1.861) 7.324 11.501 ( -7.234 -6.609 -1.223) 9.875 11.574 ( -0.159 -0.473 -0.450) 0.672 12.570 ( 0.138 -1.185 2.887) 3.124 12.600 ( -1.308 -5.181 -0.225) 5.349 13.494 ( 0.125 5.466 -0.718) 5.514 14.773 ( 4.162 7.071 0.536) 8.223 15.196 ( -4.885 6.684 -1.483) 8.411 15.591 ( -0.440 10.498 -0.079) 10.508 16.688 ( 1.797 6.206 -0.073) 6.461 18.182 ( -0.590 -11.159 0.081) 11.175 18.228 ( -0.353 -10.905 -0.064) 10.911 20.520 ( 1.865 3.962 -1.236) 4.550 20.782 ( 3.591 4.181 0.392) 5.525 24.765 ( 1.534 2.493 -0.260) 2.939 25.430 ( -0.538 8.882 0.774) 8.932 ======================= Grid point 48 (30/141) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 -13.572 0.000) 13.572 1.351 ( 0.000 -21.927 0.000) 21.927 1.942 ( 0.000 -3.771 0.000) 3.771 1.961 ( -0.000 8.252 -0.000) 8.252 2.055 ( 0.000 -0.959 0.000) 0.959 2.156 ( 0.000 -2.055 0.000) 2.055 2.306 ( 0.000 -11.103 0.000) 11.103 2.716 ( 0.000 -7.579 0.000) 7.579 2.790 ( 0.000 -9.325 0.000) 9.325 2.922 ( 0.000 -6.192 0.000) 6.192 3.074 ( 0.000 -2.160 0.000) 2.160 3.111 ( -0.000 4.654 -0.000) 4.654 3.252 ( -0.000 14.760 -0.000) 14.760 3.378 ( -0.000 7.194 -0.000) 7.194 3.497 ( 0.000 -0.665 0.000) 0.665 3.646 ( 0.000 -2.659 0.000) 2.659 3.789 ( 0.000 -2.042 0.000) 2.042 3.961 ( 0.000 -6.890 0.000) 6.890 4.055 ( 0.000 -4.689 0.000) 4.689 4.181 ( 0.000 -1.581 0.000) 1.581 4.190 ( 0.000 -3.596 0.000) 3.596 4.580 ( -0.000 2.312 -0.000) 2.312 4.695 ( -0.000 11.466 -0.000) 11.466 4.714 ( 0.000 -7.987 0.000) 7.987 5.158 ( -0.000 0.502 -0.000) 0.502 5.185 ( -0.000 1.174 -0.000) 1.174 5.245 ( -0.000 0.494 -0.000) 0.494 5.459 ( -0.000 1.108 -0.000) 1.108 5.867 ( 0.000 -2.215 0.000) 2.215 5.901 ( 0.000 -7.153 0.000) 7.153 5.981 ( 0.000 -0.280 0.000) 0.280 6.160 ( -0.000 1.769 -0.000) 1.769 6.218 ( -0.000 9.575 -0.000) 9.575 6.541 ( -0.000 9.077 -0.000) 9.077 7.115 ( 0.000 -22.378 0.000) 22.378 7.820 ( 0.000 -21.002 0.000) 21.002 9.163 ( 0.000 -3.704 0.000) 3.704 9.863 ( 0.000 -13.219 0.000) 13.219 10.221 ( 0.000 -12.049 0.000) 12.049 10.241 ( 0.000 -0.761 0.000) 0.761 10.255 ( 0.000 -21.199 0.000) 21.199 10.496 ( -0.000 5.819 -0.000) 5.819 10.778 ( -0.000 1.105 -0.000) 1.105 11.037 ( 0.000 -1.152 0.000) 1.152 11.386 ( -0.000 0.813 -0.000) 0.813 11.571 ( 0.000 -0.052 0.000) 0.052 11.706 ( 0.000 -16.617 0.000) 16.617 12.618 ( 0.000 -4.311 0.000) 4.311 12.717 ( 0.000 -7.959 0.000) 7.959 13.376 ( -0.000 6.529 -0.000) 6.529 14.603 ( -0.000 13.877 -0.000) 13.877 15.022 ( -0.000 10.186 -0.000) 10.186 15.353 ( -0.000 14.802 -0.000) 14.802 16.531 ( -0.000 12.137 -0.000) 12.137 18.438 ( 0.000 -17.109 0.000) 17.109 18.472 ( 0.000 -15.926 0.000) 15.926 20.426 ( -0.000 7.440 -0.000) 7.440 20.690 ( -0.000 7.621 -0.000) 7.621 24.709 ( -0.000 4.210 -0.000) 4.210 25.228 ( -0.000 13.079 -0.000) 13.079 ======================= Grid point 59 (31/141) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 -0.000 -0.000) 0.000 0.793 ( 0.000 -0.000 0.000) 0.000 1.760 ( -0.000 0.000 0.000) 0.000 1.971 ( -0.000 0.000 0.000) 0.000 2.056 ( 0.000 -0.000 -0.000) 0.000 2.163 ( 0.000 -0.000 0.000) 0.000 2.318 ( 0.000 -0.000 -0.000) 0.000 2.414 ( 0.000 -0.000 0.000) 0.000 2.663 ( 0.000 -0.000 0.000) 0.000 2.780 ( 0.000 -0.000 -0.000) 0.000 2.968 ( 0.000 -0.000 0.000) 0.000 3.279 ( 0.000 -0.000 0.000) 0.000 3.418 ( 0.000 -0.000 -0.000) 0.000 3.451 ( 0.000 -0.000 0.000) 0.000 3.535 ( 0.000 -0.000 -0.000) 0.000 3.766 ( 0.000 -0.000 -0.000) 0.000 3.776 ( 0.000 -0.000 0.000) 0.000 3.831 ( -0.000 0.000 0.000) 0.000 3.944 ( 0.000 -0.000 0.000) 0.000 4.002 ( 0.000 -0.000 0.000) 0.000 4.153 ( 0.000 -0.000 -0.000) 0.000 4.549 ( 0.000 -0.000 0.000) 0.000 4.666 ( 0.000 -0.000 -0.000) 0.000 4.907 ( 0.000 -0.000 0.000) 0.000 5.139 ( -0.000 0.000 0.000) 0.000 5.238 ( 0.000 -0.000 -0.000) 0.000 5.327 ( 0.000 -0.000 -0.000) 0.000 5.575 ( 0.000 -0.000 -0.000) 0.000 5.627 ( 0.000 -0.000 0.000) 0.000 5.853 ( 0.000 -0.000 0.000) 0.000 5.935 ( 0.000 -0.000 -0.000) 0.000 6.253 ( 0.000 -0.000 0.000) 0.000 6.438 ( 0.000 -0.000 0.000) 0.000 6.572 ( 0.000 -0.000 -0.000) 0.000 6.766 ( 0.000 -0.000 0.000) 0.000 7.361 ( 0.000 -0.000 0.000) 0.000 8.906 ( 0.000 -0.000 0.000) 0.000 9.361 ( 0.000 -0.000 0.000) 0.000 9.959 ( 0.000 -0.000 0.000) 0.000 10.051 ( 0.000 -0.000 0.000) 0.000 10.197 ( 0.000 -0.000 0.000) 0.000 10.609 ( 0.000 -0.000 -0.000) 0.000 10.829 ( 0.000 -0.000 0.000) 0.000 11.107 ( 0.000 -0.000 -0.000) 0.000 11.337 ( 0.000 -0.000 0.000) 0.000 11.457 ( 0.000 -0.000 0.000) 0.000 11.572 ( 0.000 -0.000 0.000) 0.000 12.545 ( 0.000 -0.000 -0.000) 0.000 12.561 ( 0.000 -0.000 -0.000) 0.000 13.549 ( 0.000 -0.000 -0.000) 0.000 14.854 ( 0.000 -0.000 0.000) 0.000 15.236 ( 0.000 -0.000 0.000) 0.000 15.690 ( 0.000 -0.000 -0.000) 0.000 16.751 ( 0.000 -0.000 0.000) 0.000 18.078 ( 0.000 -0.000 0.000) 0.000 18.126 ( 0.000 -0.000 -0.000) 0.000 20.562 ( 0.000 -0.000 0.000) 0.000 20.834 ( 0.000 -0.000 -0.000) 0.000 24.795 ( 0.000 -0.000 0.000) 0.000 25.508 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -3.862 0.000 14.968) 15.458 0.382 ( 0.108 -0.000 17.512) 17.512 0.729 ( -13.775 0.000 33.577) 36.292 1.145 ( -0.916 0.000 -5.450) 5.526 1.264 ( 4.487 -0.000 -1.716) 4.804 1.912 ( 3.155 -0.000 -7.530) 8.164 2.226 ( 2.965 -0.000 3.673) 4.721 2.704 ( -4.065 0.000 0.781) 4.139 2.778 ( 2.142 -0.000 -0.277) 2.159 2.873 ( 1.765 -0.000 -3.917) 4.296 3.033 ( -2.298 0.000 -0.101) 2.300 3.158 ( 3.751 -0.000 -4.439) 5.811 3.307 ( 0.259 -0.000 0.014) 0.259 3.614 ( -0.902 0.000 1.286) 1.571 3.754 ( 0.599 -0.000 1.495) 1.610 3.774 ( 2.536 -0.000 -0.299) 2.554 3.920 ( -0.386 0.000 1.003) 1.075 4.120 ( -5.445 0.000 -1.942) 5.781 4.194 ( -1.659 0.000 -0.374) 1.701 4.258 ( 15.331 -0.000 2.640) 15.557 4.450 ( -9.433 0.000 -0.062) 9.433 4.545 ( -0.998 0.000 0.446) 1.093 4.634 ( 1.221 -0.000 0.779) 1.448 4.815 ( 1.485 -0.000 -1.636) 2.210 4.834 ( 6.238 -0.000 -7.219) 9.541 5.258 ( 0.256 -0.000 -3.859) 3.868 5.350 ( -0.418 0.000 0.072) 0.424 5.407 ( -3.161 0.000 3.706) 4.871 5.668 ( 2.102 -0.000 5.354) 5.752 5.808 ( -6.740 0.000 -3.043) 7.395 5.999 ( 2.901 -0.000 1.779) 3.403 6.246 ( -0.077 0.000 -2.745) 2.746 6.427 ( 11.294 -0.000 5.893) 12.739 6.801 ( -44.837 0.000 -2.749) 44.921 6.851 ( 0.047 -0.000 -0.868) 0.870 7.384 ( -0.151 0.000 1.191) 1.201 8.887 ( 0.055 -0.000 -0.161) 0.170 9.281 ( -1.314 0.000 -0.440) 1.386 9.496 ( -0.028 0.000 -0.123) 0.126 9.797 ( -0.026 0.000 -0.135) 0.137 10.171 ( 0.234 -0.000 0.046) 0.239 10.227 ( -0.204 0.000 -0.129) 0.242 10.577 ( -0.332 0.000 0.906) 0.965 11.051 ( 0.670 -0.000 0.350) 0.756 11.182 ( 6.509 -0.000 -0.914) 6.573 11.386 ( 0.015 -0.000 0.055) 0.057 11.620 ( -0.002 0.000 0.102) 0.102 12.704 ( 15.439 -0.000 -0.165) 15.440 12.745 ( -0.010 0.000 0.025) 0.027 13.136 ( -0.322 0.000 0.195) 0.376 15.687 ( 0.122 -0.000 -0.065) 0.138 15.822 ( 9.493 -0.000 -0.206) 9.495 15.990 ( 0.588 -0.000 0.203) 0.622 16.615 ( -8.322 0.000 0.008) 8.322 18.058 ( 0.039 -0.000 0.439) 0.441 18.129 ( -0.037 0.000 -0.443) 0.444 20.158 ( -27.968 0.000 -0.494) 27.972 20.181 ( -26.582 0.000 0.519) 26.587 24.519 ( 34.291 -0.000 0.110) 34.291 24.533 ( -1.589 0.000 -0.141) 1.595 ======================= Grid point 108 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.731 -5.840 25.709) 26.785 0.663 ( 1.848 -19.276 10.339) 21.952 0.962 ( 18.026 -35.395 3.842) 39.907 1.346 ( -0.951 -11.278 -0.136) 11.319 1.627 ( -5.590 -26.762 -11.507) 29.663 2.016 ( 10.476 -5.871 -6.158) 13.495 2.216 ( -0.219 0.917 3.592) 3.714 2.706 ( -7.527 -4.881 -3.655) 9.687 2.865 ( -2.045 0.969 -5.359) 5.817 2.962 ( 1.946 -7.327 -1.366) 7.703 3.010 ( 1.127 0.352 -0.553) 1.304 3.082 ( 2.064 5.536 -1.454) 6.084 3.436 ( 3.038 -9.071 -4.993) 10.791 3.579 ( -3.658 1.687 0.514) 4.061 3.653 ( -0.969 7.017 0.652) 7.113 3.803 ( -1.622 9.790 0.987) 9.973 3.857 ( 1.358 -2.732 0.925) 3.188 4.012 ( -6.083 5.278 -3.397) 8.741 4.148 ( -4.492 1.364 1.646) 4.975 4.266 ( -0.223 7.367 -2.584) 7.810 4.437 ( 4.749 -3.230 3.385) 6.667 4.567 ( -6.491 -4.768 0.284) 8.059 4.697 ( 5.826 -2.065 0.460) 6.198 4.831 ( 7.391 3.248 -1.547) 8.220 4.896 ( -1.713 -6.030 -0.104) 6.269 5.212 ( 0.299 5.065 1.396) 5.263 5.252 ( -8.628 2.406 14.949) 17.427 5.416 ( 4.538 -4.087 -1.636) 6.323 5.617 ( 1.895 3.763 4.699) 6.311 5.764 ( -2.843 -0.430 -0.317) 2.893 5.971 ( 0.483 3.311 1.876) 3.835 6.135 ( -3.642 7.158 1.659) 8.201 6.273 ( -2.225 5.318 0.181) 5.767 6.459 ( 0.350 4.050 2.837) 4.957 7.071 ( -6.826 -15.698 -5.996) 18.137 7.529 ( -0.397 -15.338 1.522) 15.418 8.988 ( 0.051 -10.356 -0.118) 10.357 9.332 ( 15.877 5.628 -0.988) 16.874 9.875 ( 4.785 -5.155 -3.832) 8.010 9.915 ( 5.231 -9.914 -1.425) 11.299 10.311 ( -1.837 -11.055 -0.118) 11.207 10.539 ( -1.536 0.601 -0.528) 1.732 10.768 ( -3.183 -18.328 -8.677) 20.526 11.074 ( 4.385 0.682 1.212) 4.600 11.274 ( -5.762 -16.901 -16.043) 24.005 11.528 ( 8.889 -15.472 -11.429) 21.190 11.681 ( -2.485 -7.148 0.075) 7.568 12.708 ( 4.663 3.119 -2.772) 6.257 12.842 ( 9.774 0.212 -3.559) 10.404 13.178 ( 0.744 -6.535 -1.227) 6.690 15.218 ( -20.333 43.964 28.929) 56.420 15.640 ( -2.480 7.640 1.759) 8.223 15.909 ( -6.017 10.740 3.437) 12.782 16.132 ( 6.749 9.134 2.723) 11.679 18.266 ( -0.466 -15.198 0.003) 15.205 18.794 ( -14.128 -43.311 -30.312) 54.720 19.808 ( -14.078 2.927 8.611) 16.760 20.191 ( 9.040 4.447 2.241) 10.321 24.521 ( 0.339 0.532 -0.912) 1.108 24.707 ( 35.873 13.371 -4.657) 38.566 ======================= Grid point 109 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.787 -15.721 16.363) 22.705 0.983 ( -6.254 -15.729 2.409) 17.097 1.480 ( -6.223 -7.847 2.893) 10.425 1.685 ( 22.094 -22.830 -3.195) 31.930 1.989 ( -5.410 -20.476 0.473) 21.184 2.202 ( -0.756 -5.265 -1.056) 5.423 2.302 ( 10.418 -10.775 0.212) 14.989 2.735 ( -2.636 1.521 -3.524) 4.656 2.779 ( -2.304 3.154 -6.446) 7.537 2.925 ( 0.582 1.019 -2.836) 3.069 3.022 ( 1.611 0.878 0.566) 1.921 3.180 ( -1.461 -8.181 2.308) 8.625 3.435 ( -5.585 9.428 2.471) 11.233 3.482 ( -1.387 4.750 -2.392) 5.496 3.544 ( 0.861 9.762 1.712) 9.948 3.713 ( 0.397 -5.759 -3.666) 6.839 3.841 ( -8.947 2.988 -2.991) 9.896 3.954 ( 0.121 -3.416 -1.507) 3.735 4.103 ( -5.192 -1.317 2.654) 5.978 4.143 ( 5.329 7.138 -6.953) 11.300 4.512 ( 2.159 -0.256 4.600) 5.088 4.611 ( -2.635 -5.221 2.779) 6.475 4.755 ( -0.216 -2.829 -1.246) 3.099 4.886 ( -2.365 -3.731 1.291) 4.602 4.967 ( 3.527 -3.245 7.564) 8.954 5.132 ( 1.422 5.421 -2.199) 6.020 5.273 ( -0.202 -6.635 5.282) 8.483 5.500 ( 0.849 -0.512 -2.031) 2.259 5.590 ( 8.137 2.926 1.146) 8.723 5.736 ( -5.879 0.130 2.210) 6.283 5.933 ( 2.287 2.188 0.650) 3.231 6.032 ( 0.294 3.735 -0.681) 3.808 6.211 ( 2.914 2.664 -1.219) 4.132 6.375 ( 0.559 5.099 2.135) 5.556 7.324 ( -4.613 -17.323 -6.092) 18.934 7.873 ( -0.638 -22.323 2.082) 22.429 9.221 ( 0.081 -12.954 -0.193) 12.956 9.369 ( 16.703 3.266 -0.776) 17.037 9.964 ( 3.350 -2.648 -1.560) 4.546 10.128 ( 3.475 -9.307 -0.556) 9.950 10.492 ( -0.624 1.857 0.389) 1.997 10.617 ( -3.075 -21.190 0.401) 21.416 10.728 ( -4.013 5.711 1.903) 7.234 11.023 ( 3.401 4.214 -0.416) 5.431 11.484 ( -5.781 -11.547 -1.498) 13.000 11.765 ( -9.712 -7.145 -2.873) 12.395 11.899 ( 0.837 -15.723 -7.572) 17.471 12.669 ( 6.663 8.812 -1.950) 11.218 12.826 ( -1.940 0.683 2.634) 3.342 13.427 ( 0.032 -17.884 -7.868) 19.538 14.484 ( -5.635 27.209 16.539) 32.336 15.428 ( -8.376 11.409 0.726) 14.172 15.639 ( -7.357 13.108 0.987) 15.064 16.059 ( 14.073 11.643 -0.493) 18.271 18.593 ( -2.773 -21.444 1.646) 21.685 19.187 ( -25.166 -23.405 -13.872) 37.061 19.767 ( 11.159 3.338 -2.544) 11.922 20.156 ( 10.727 8.274 2.953) 13.865 24.520 ( 2.032 0.648 -1.022) 2.365 24.699 ( 20.738 11.003 -0.774) 23.489 ======================= Grid point 110 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -14.323 -11.852 1.908) 18.689 1.135 ( -1.492 -13.361 2.911) 13.756 1.547 ( -4.742 -5.488 4.356) 8.461 1.978 ( 0.542 -2.329 -2.218) 3.262 2.254 ( -4.206 -8.372 2.580) 9.718 2.391 ( 6.728 -13.244 -0.272) 14.858 2.508 ( 9.317 4.091 0.293) 10.180 2.668 ( 6.676 -6.938 -2.699) 10.000 2.810 ( -0.641 0.442 -1.296) 1.512 2.921 ( -3.054 -2.145 -4.416) 5.782 3.025 ( 2.160 2.013 -2.792) 4.064 3.213 ( 1.923 1.249 -0.862) 2.450 3.310 ( -4.341 4.322 3.118) 6.873 3.387 ( 4.350 -0.381 2.827) 5.202 3.461 ( 3.593 1.538 -1.215) 4.093 3.720 ( -8.956 -0.143 -2.871) 9.406 3.797 ( 0.335 -1.434 0.544) 1.570 3.935 ( 0.006 5.760 -0.923) 5.833 4.074 ( -7.027 -1.669 3.193) 7.897 4.197 ( 6.440 -2.492 -7.214) 9.986 4.508 ( -0.615 -1.252 -1.195) 1.837 4.685 ( -3.078 -4.249 3.911) 6.544 4.803 ( -1.122 -2.271 0.914) 2.694 4.909 ( -7.715 -6.692 5.318) 11.514 5.039 ( 3.169 5.384 -1.007) 6.328 5.102 ( 1.900 -6.423 2.671) 7.211 5.386 ( 2.872 -3.383 -0.264) 4.445 5.450 ( -1.288 4.264 -4.026) 6.004 5.608 ( 4.883 2.824 3.254) 6.512 5.660 ( -5.252 3.350 2.048) 6.557 5.895 ( 1.371 4.249 0.032) 4.464 6.037 ( 2.250 -3.432 0.151) 4.106 6.216 ( 4.462 0.568 -1.043) 4.617 6.317 ( 2.591 2.319 1.678) 3.861 7.594 ( -2.710 -15.797 -4.563) 16.664 8.274 ( -0.646 -22.432 2.178) 22.546 9.318 ( 9.305 3.398 -0.445) 9.916 9.543 ( 3.609 -8.858 -0.534) 9.580 10.030 ( 2.409 -2.007 -1.081) 3.317 10.315 ( 1.532 -10.164 0.240) 10.282 10.445 ( -0.455 11.416 1.791) 11.564 10.494 ( -0.268 2.645 0.314) 2.677 10.898 ( -3.089 -2.452 -0.330) 3.957 11.218 ( 3.128 -24.909 -0.241) 25.106 11.630 ( -3.683 -9.510 -0.109) 10.199 11.758 ( -10.358 -2.145 0.082) 10.578 12.162 ( -0.244 -14.256 -1.072) 14.298 12.513 ( 3.457 9.731 1.614) 10.452 12.848 ( -0.714 -2.460 0.100) 2.564 13.708 ( -5.696 -14.101 -4.558) 15.876 14.104 ( 2.160 14.892 4.340) 15.661 15.109 ( -10.651 15.311 0.423) 18.656 15.356 ( -5.025 11.989 0.392) 13.006 15.922 ( 13.064 15.604 -0.759) 20.365 18.944 ( -5.679 -20.950 1.918) 21.790 19.340 ( -19.497 -15.158 -3.611) 24.959 19.798 ( 11.889 4.241 -5.670) 13.838 20.073 ( 11.648 10.829 2.438) 16.090 24.528 ( 2.202 0.288 -0.921) 2.404 24.667 ( 12.245 7.170 0.139) 14.190 ======================= Grid point 111 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -16.534 -0.097 -3.760) 16.956 1.390 ( -5.528 -12.719 -0.961) 13.901 1.629 ( 4.344 -4.765 5.384) 8.400 1.921 ( -5.797 3.497 1.216) 6.878 2.293 ( -2.654 -0.866 0.664) 2.870 2.483 ( 6.085 0.679 -1.113) 6.223 2.620 ( 6.335 -5.349 1.709) 8.466 2.716 ( -2.974 4.595 -2.690) 6.099 2.812 ( -1.568 1.842 -0.457) 2.461 2.974 ( 4.555 -4.777 -1.958) 6.885 3.052 ( -1.462 -0.079 -0.089) 1.467 3.172 ( 5.270 1.289 0.067) 5.426 3.262 ( -2.422 -0.557 -1.023) 2.687 3.494 ( 8.338 -2.882 -5.000) 10.140 3.576 ( 8.837 -8.306 3.319) 12.574 3.665 ( -6.919 -0.202 -0.566) 6.945 3.820 ( -2.948 -1.054 -1.179) 3.345 3.848 ( 7.137 3.963 0.305) 8.169 4.033 ( -7.500 0.657 1.023) 7.598 4.158 ( -1.741 7.225 1.525) 7.587 4.586 ( -2.307 -5.832 -5.587) 8.399 4.723 ( 3.192 -0.311 5.057) 5.988 4.811 ( -5.894 -3.540 3.546) 7.736 4.950 ( -0.981 3.951 -1.239) 4.255 5.037 ( -3.997 -9.992 -0.866) 10.797 5.233 ( -1.060 -6.618 1.292) 6.826 5.358 ( 1.164 5.055 -2.660) 5.829 5.424 ( 2.156 1.112 1.166) 2.691 5.511 ( -5.700 5.218 3.442) 8.459 5.622 ( 6.451 1.999 0.715) 6.791 5.822 ( -0.058 3.988 -0.101) 3.990 6.126 ( 1.600 -2.933 0.922) 3.466 6.240 ( 2.755 0.174 -2.108) 3.473 6.330 ( 2.436 -0.785 1.391) 2.913 7.817 ( -0.902 -10.110 -2.442) 10.439 8.623 ( -0.069 -15.859 2.128) 16.001 9.321 ( 6.686 2.916 -0.275) 7.299 9.656 ( -1.734 -4.662 -0.611) 5.011 10.038 ( -0.834 5.285 -0.701) 5.396 10.185 ( 0.841 9.306 1.571) 9.475 10.513 ( 2.467 -1.718 -0.842) 3.122 10.562 ( 1.902 -11.318 0.201) 11.479 10.897 ( -0.990 -0.476 -0.383) 1.164 11.574 ( 2.746 -8.888 0.435) 9.312 11.699 ( -3.813 0.701 1.378) 4.114 11.776 ( -8.377 -8.771 -0.530) 12.141 12.390 ( 4.632 -10.507 1.097) 11.535 12.513 ( -0.397 -9.345 0.028) 9.353 12.852 ( 1.827 3.265 -0.684) 3.803 13.761 ( -0.436 4.173 0.342) 4.210 13.989 ( -4.457 -0.569 -0.914) 4.585 14.772 ( -7.333 12.125 0.234) 14.172 15.175 ( -3.974 3.595 0.181) 5.362 15.733 ( 9.514 14.591 -1.102) 17.454 19.227 ( -7.166 -16.078 1.355) 17.655 19.430 ( -8.931 -7.323 -0.392) 11.556 19.795 ( 4.594 3.413 -3.665) 6.796 19.974 ( 11.165 9.577 0.835) 14.733 24.543 ( 0.609 -0.618 -1.042) 1.356 24.639 ( 6.592 4.398 0.550) 7.943 ======================= Grid point 112 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -5.186 1.831 -5.607) 7.854 1.488 ( 1.059 -2.310 -2.065) 3.274 1.774 ( 5.729 -5.839 2.767) 8.635 1.832 ( -4.001 2.013 5.175) 6.844 2.270 ( -1.067 2.210 0.700) 2.552 2.521 ( 2.264 0.792 -3.407) 4.167 2.623 ( -1.212 0.849 -2.833) 3.196 2.754 ( 2.328 -4.012 2.167) 5.119 2.767 ( -1.485 0.481 0.293) 1.589 2.927 ( -1.704 4.880 2.839) 5.897 3.050 ( 0.054 -1.861 -1.478) 2.377 3.225 ( -1.417 1.229 -1.865) 2.645 3.308 ( 2.055 -1.434 -1.475) 2.908 3.563 ( 3.069 -2.106 0.164) 3.726 3.654 ( 1.908 -2.596 -1.583) 3.590 3.718 ( -4.081 0.234 -1.251) 4.274 3.799 ( 4.687 8.373 -3.227) 10.124 3.869 ( -5.842 -3.413 0.130) 6.768 3.946 ( 0.894 1.387 1.305) 2.104 4.065 ( 0.283 -1.685 3.443) 3.844 4.620 ( -3.755 -1.413 -1.997) 4.481 4.694 ( 5.158 6.835 2.991) 9.070 4.877 ( 1.209 2.424 1.833) 3.270 4.907 ( -3.711 -8.286 1.260) 9.166 5.144 ( -3.732 -4.407 -4.533) 7.342 5.278 ( 2.526 4.361 0.259) 5.046 5.319 ( -1.038 -2.655 -0.536) 2.901 5.395 ( -0.920 2.217 1.860) 3.036 5.451 ( 2.178 -1.178 3.560) 4.336 5.637 ( -0.066 0.451 0.694) 0.830 5.779 ( 2.930 1.130 0.070) 3.141 6.150 ( 0.311 0.462 1.381) 1.489 6.246 ( -0.306 0.551 -3.128) 3.191 6.350 ( -1.502 -0.270 1.068) 1.863 7.906 ( 0.090 0.445 -1.553) 1.618 8.781 ( 0.051 -0.524 2.330) 2.388 9.322 ( 0.079 0.023 -0.223) 0.237 9.734 ( -0.158 -1.337 -0.711) 1.523 9.888 ( 0.233 0.477 0.518) 0.742 10.139 ( -0.118 0.797 -0.061) 0.808 10.534 ( 0.790 0.112 -1.138) 1.389 10.694 ( -0.491 0.154 0.338) 0.616 10.899 ( -0.092 -0.026 -0.334) 0.348 11.640 ( -1.467 1.371 -0.278) 2.028 11.681 ( 0.570 -1.779 2.179) 2.870 11.797 ( 0.765 0.276 -0.326) 0.876 12.565 ( -0.252 -0.276 0.590) 0.699 12.644 ( 0.020 1.918 0.365) 1.952 12.800 ( 0.220 -1.793 -1.040) 2.084 13.690 ( 0.048 0.164 0.135) 0.218 13.974 ( 0.072 -0.575 -0.010) 0.580 14.630 ( -0.327 -0.056 0.074) 0.340 15.139 ( 0.351 0.709 0.094) 0.796 15.623 ( -0.221 -0.252 -1.390) 1.430 19.369 ( -1.126 -1.755 1.192) 2.401 19.438 ( 2.045 3.028 -0.147) 3.657 19.768 ( -4.152 -1.441 -1.612) 4.682 19.946 ( 3.443 -0.378 -0.370) 3.484 24.558 ( -2.421 -1.906 -1.459) 3.410 24.614 ( 2.248 2.310 0.950) 3.360 ======================= Grid point 113 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 8.901 2.792 -6.207) 11.205 1.502 ( 5.910 6.373 1.403) 8.804 1.740 ( -3.758 4.276 6.742) 8.824 1.941 ( 8.002 -6.418 2.584) 10.578 2.215 ( 1.009 3.084 -2.156) 3.895 2.464 ( -3.868 2.895 -0.821) 4.901 2.615 ( -3.712 0.005 0.810) 3.799 2.786 ( 1.832 -1.458 -1.733) 2.913 2.827 ( 0.353 -2.691 0.741) 2.814 2.888 ( 3.405 -0.098 -1.872) 3.887 3.117 ( -0.066 -4.422 0.652) 4.470 3.144 ( -7.112 8.771 -5.093) 12.388 3.197 ( -5.551 3.796 1.378) 6.865 3.523 ( -9.819 6.210 -1.910) 11.774 3.653 ( -3.801 1.449 2.310) 4.678 3.705 ( -3.479 1.366 -3.006) 4.796 3.740 ( 8.908 -3.568 1.887) 9.779 3.866 ( 5.497 2.007 -3.174) 6.657 3.957 ( 2.691 -0.818 1.804) 3.341 4.163 ( -2.158 -4.672 0.123) 5.148 4.584 ( 4.067 5.007 -1.365) 6.593 4.634 ( -0.459 0.443 1.377) 1.518 4.835 ( 2.210 3.347 3.297) 5.192 5.007 ( 0.035 -1.778 -1.636) 2.416 5.168 ( -3.950 -1.780 2.201) 4.859 5.209 ( 4.190 4.385 1.188) 6.181 5.357 ( -0.064 -2.064 -0.658) 2.168 5.402 ( 2.406 -1.593 0.701) 2.970 5.490 ( 0.964 -0.311 -1.760) 2.031 5.615 ( -2.737 -1.122 4.008) 4.981 5.822 ( 3.055 -2.205 -0.444) 3.793 6.127 ( -0.637 2.230 1.439) 2.730 6.221 ( -3.021 0.234 -3.478) 4.613 6.314 ( -5.040 0.522 1.538) 5.295 7.805 ( 1.134 10.643 -2.613) 11.018 8.640 ( 0.137 15.226 2.383) 15.412 9.320 ( -6.764 -2.882 -0.283) 7.358 9.674 ( 1.519 4.531 -0.334) 4.791 10.071 ( 2.082 -6.145 -0.063) 6.488 10.133 ( -1.891 -8.022 0.602) 8.264 10.522 ( -0.930 1.454 -0.641) 1.841 10.555 ( -2.784 11.238 0.106) 11.578 10.893 ( 0.743 0.850 -0.475) 1.225 11.543 ( -2.292 9.564 0.011) 9.835 11.723 ( 1.777 -0.000 1.262) 2.179 11.799 ( 10.414 5.191 0.368) 11.642 12.384 ( -8.926 8.798 1.142) 12.585 12.471 ( 3.596 14.403 -1.152) 14.890 12.884 ( -1.352 -3.710 0.082) 3.949 13.788 ( -0.170 -9.743 1.098) 9.807 13.978 ( 5.363 5.425 -1.358) 7.748 14.772 ( 6.346 -12.743 0.232) 14.237 15.163 ( 4.427 -3.291 -0.090) 5.517 15.735 ( -9.610 -14.653 -1.029) 17.554 19.243 ( 7.856 16.411 2.364) 18.348 19.374 ( 6.914 9.282 -2.430) 11.826 19.808 ( -9.141 -8.516 -2.415) 12.725 20.026 ( -4.905 -8.487 1.130) 9.867 24.569 ( -6.248 -3.027 -2.119) 7.259 24.593 ( -1.273 0.498 1.242) 1.847 ======================= Grid point 114 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 14.282 5.680 -4.410) 15.990 1.297 ( -6.306 14.182 9.931) 18.426 1.640 ( 4.131 8.835 4.265) 10.644 2.074 ( 4.925 0.389 3.147) 5.858 2.122 ( 0.574 8.583 -4.503) 9.709 2.439 ( -2.774 7.972 1.120) 8.515 2.527 ( -10.504 -4.356 1.877) 11.526 2.738 ( -7.051 14.618 -0.631) 16.242 2.786 ( 0.283 1.920 -3.855) 4.316 2.888 ( 3.234 2.738 -4.117) 5.909 2.980 ( 0.545 -2.144 -2.406) 3.268 3.135 ( -1.310 -5.285 0.160) 5.447 3.280 ( 0.208 -8.451 -0.359) 8.461 3.412 ( -4.401 0.591 1.342) 4.639 3.580 ( -3.203 1.725 1.863) 4.087 3.678 ( -0.988 -0.801 -2.561) 2.859 3.780 ( 8.930 8.155 -2.820) 12.417 3.884 ( 5.610 -0.432 -2.388) 6.112 4.050 ( 3.821 -4.922 3.564) 7.179 4.153 ( -4.077 0.865 -4.326) 6.007 4.579 ( 0.779 -2.002 1.055) 2.393 4.629 ( 0.540 1.360 2.096) 2.556 4.791 ( 3.221 3.619 3.481) 5.966 4.948 ( -0.496 6.866 -3.487) 7.717 5.153 ( -0.396 2.385 2.490) 3.471 5.176 ( -3.456 0.319 8.289) 8.986 5.386 ( -0.210 -0.339 -3.255) 3.279 5.440 ( 1.450 -0.870 -2.743) 3.223 5.495 ( -4.214 -3.149 0.684) 5.305 5.670 ( 7.203 -2.089 3.431) 8.247 5.880 ( 1.064 -1.954 -0.706) 2.334 6.050 ( -3.782 3.248 1.177) 5.122 6.200 ( -5.471 -1.852 -2.243) 6.196 6.307 ( -2.089 -3.734 1.839) 4.657 7.580 ( 3.058 15.617 -4.645) 16.578 8.297 ( 0.472 22.308 2.449) 22.447 9.317 ( -9.769 -3.766 -0.468) 10.480 9.550 ( -3.705 9.898 -0.432) 10.577 10.038 ( -2.450 2.599 -0.800) 3.660 10.332 ( -2.885 9.607 -0.205) 10.034 10.409 ( 3.298 -12.996 1.851) 13.535 10.502 ( -0.633 -2.032 0.524) 2.192 10.884 ( 3.146 2.769 -0.685) 4.246 11.191 ( -2.182 25.365 -0.717) 25.469 11.637 ( 2.393 8.003 0.021) 8.353 11.847 ( 12.188 2.152 2.203) 12.571 12.257 ( 4.805 10.458 -1.118) 11.563 12.278 ( -8.629 -1.140 -1.360) 8.810 12.883 ( 0.525 2.783 0.641) 2.904 13.784 ( 6.625 17.622 -4.415) 19.337 14.068 ( -3.200 -20.680 5.004) 21.516 15.112 ( 9.066 -15.986 0.467) 18.384 15.348 ( 5.427 -12.342 0.231) 13.485 15.926 ( -12.832 -15.732 -0.666) 20.312 18.957 ( 5.970 21.409 2.833) 22.406 19.224 ( 13.030 16.055 -6.033) 21.539 19.899 ( -8.555 -9.276 -3.361) 13.059 20.150 ( -9.022 -11.314 2.999) 14.778 24.560 ( -8.396 -2.402 -2.145) 8.992 24.580 ( -5.937 -2.117 0.385) 6.315 ======================= Grid point 115 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 4.911 10.923 3.570) 12.497 0.988 ( -6.793 13.725 13.264) 20.260 1.463 ( 2.004 13.027 1.248) 13.239 1.842 ( -13.148 20.954 1.265) 24.770 1.960 ( -2.295 25.453 1.504) 25.601 2.072 ( -0.174 5.522 -3.747) 6.676 2.398 ( -7.901 10.712 0.950) 13.345 2.745 ( 1.315 -9.033 -2.581) 9.486 2.795 ( 4.000 -2.964 -2.507) 5.575 2.871 ( 2.518 1.568 -6.344) 7.003 3.010 ( -1.246 -1.018 -1.084) 1.940 3.183 ( 1.493 7.667 2.753) 8.282 3.423 ( 4.046 -9.131 0.933) 10.031 3.458 ( 2.439 -5.325 -2.615) 6.414 3.578 ( 0.373 -0.643 -1.528) 1.699 3.650 ( 0.567 2.378 -2.419) 3.440 3.753 ( 6.200 -1.390 -2.138) 6.704 3.960 ( 5.743 -2.731 0.510) 6.379 4.121 ( -4.712 -3.343 -3.913) 6.978 4.149 ( 3.885 -1.048 2.557) 4.767 4.569 ( -1.398 4.312 3.367) 5.647 4.634 ( 0.203 -2.701 1.695) 3.195 4.761 ( -1.307 2.276 2.539) 3.651 4.807 ( -0.902 6.380 -3.266) 7.224 5.031 ( -1.214 9.096 -0.368) 9.184 5.170 ( -5.378 -3.862 8.137) 10.490 5.387 ( 2.237 2.704 -1.331) 3.753 5.484 ( -6.294 -1.959 -0.042) 6.592 5.485 ( -0.384 -2.770 3.932) 4.825 5.762 ( 6.102 -1.278 1.599) 6.436 5.894 ( 0.630 -0.180 0.273) 0.710 6.041 ( -1.009 -4.856 -0.722) 5.012 6.206 ( -4.000 -3.142 -1.380) 5.271 6.398 ( -1.016 -7.151 2.580) 7.670 7.324 ( 4.855 16.045 -5.968) 17.794 7.894 ( 0.101 22.381 2.270) 22.496 9.225 ( -0.017 13.362 -0.109) 13.363 9.361 ( -16.882 -3.538 -0.957) 17.275 9.966 ( -3.149 2.973 -1.409) 4.554 10.147 ( -4.893 8.707 -0.467) 9.998 10.500 ( 0.674 -2.345 0.513) 2.493 10.605 ( 3.642 20.574 0.407) 20.898 10.735 ( 3.637 -7.649 2.515) 8.835 10.960 ( -0.184 0.124 -2.572) 2.582 11.521 ( 2.752 7.220 0.166) 7.729 11.806 ( 5.401 10.252 0.637) 11.605 12.090 ( -0.918 16.823 -21.296) 27.155 12.309 ( 4.662 -6.315 8.362) 11.469 12.824 ( 1.757 4.202 0.925) 4.648 13.474 ( -2.180 17.096 -6.206) 18.317 14.525 ( 4.472 -30.206 15.361) 34.182 15.425 ( 6.156 -11.977 0.629) 13.481 15.642 ( 6.985 -13.825 1.005) 15.522 16.074 ( -13.411 -12.554 -0.132) 18.370 18.599 ( 2.682 21.881 2.106) 22.145 19.008 ( 18.519 22.739 -12.076) 31.716 19.998 ( -5.169 -7.957 -3.611) 10.153 20.280 ( -14.481 -13.694 3.777) 20.285 24.521 ( -13.030 -2.601 -3.770) 13.811 24.568 ( -6.605 -2.081 0.705) 6.961 ======================= Grid point 116 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -2.705 16.905 8.431) 19.083 0.719 ( -8.487 8.511 21.678) 24.787 1.084 ( -24.906 28.021 6.766) 38.095 1.310 ( 5.925 15.989 1.848) 17.151 1.595 ( 8.854 25.867 -10.901) 29.433 1.955 ( -3.440 4.309 -6.424) 8.466 2.236 ( -3.406 2.685 3.763) 5.742 2.790 ( -2.535 1.964 -4.459) 5.493 2.835 ( 6.580 2.849 -3.503) 7.980 2.910 ( 1.914 7.628 0.075) 7.865 3.029 ( -0.820 -7.681 -2.275) 8.053 3.057 ( 0.187 1.633 -2.533) 3.019 3.405 ( 0.706 8.272 -4.844) 9.612 3.585 ( 2.774 -2.694 0.583) 3.911 3.640 ( 2.357 -6.868 0.533) 7.281 3.777 ( 6.426 -3.948 0.537) 7.561 3.828 ( -0.201 -5.869 1.145) 5.983 4.058 ( 4.999 -3.597 0.372) 6.170 4.164 ( -1.609 -3.019 -0.737) 3.499 4.195 ( 3.469 -1.483 0.687) 3.835 4.491 ( -4.386 1.040 3.155) 5.503 4.604 ( 3.645 6.944 1.484) 7.982 4.696 ( -7.743 1.732 -1.208) 8.026 4.761 ( -0.599 -3.000 -3.247) 4.461 4.880 ( 2.460 7.375 -2.695) 8.228 5.244 ( -3.435 -7.542 6.263) 10.388 5.311 ( -0.507 3.428 1.622) 3.826 5.439 ( -5.776 0.342 2.771) 6.415 5.587 ( 3.760 -4.632 7.211) 9.359 5.802 ( -1.779 -2.307 -0.598) 2.974 5.940 ( 2.710 -2.769 1.366) 4.108 6.166 ( 1.686 -7.743 2.029) 8.181 6.258 ( 2.775 -4.463 -0.485) 5.278 6.533 ( -5.936 -11.696 4.058) 13.730 7.106 ( 4.472 12.118 -6.109) 14.289 7.542 ( -0.600 15.663 1.562) 15.752 8.988 ( -0.016 10.422 -0.124) 10.423 9.330 ( -15.853 -5.981 -1.055) 16.977 9.872 ( -3.545 5.578 -2.838) 7.193 9.937 ( -8.838 8.192 -2.270) 12.262 10.304 ( 2.544 11.245 -0.275) 11.533 10.548 ( 0.397 -1.469 -0.119) 1.526 10.850 ( -6.524 13.325 -10.521) 18.188 10.979 ( 7.527 -2.286 -1.236) 7.963 11.393 ( 1.608 27.653 -17.868) 32.963 11.462 ( -11.870 17.074 -10.584) 23.333 11.693 ( 1.169 9.605 -1.868) 9.854 12.518 ( 14.168 -6.377 5.692) 16.546 12.773 ( 1.840 3.103 0.635) 3.663 13.213 ( -5.289 7.328 -1.847) 9.224 15.232 ( 18.311 -38.119 24.290) 48.768 15.629 ( -0.082 -8.213 1.182) 8.299 15.910 ( 3.049 -10.372 2.279) 11.048 16.196 ( -8.967 -15.213 4.169) 18.145 18.266 ( 0.555 15.429 -0.008) 15.439 18.655 ( 20.464 37.466 -20.119) 47.193 20.096 ( 0.309 -4.998 -2.521) 5.606 20.386 ( -32.139 -16.618 -2.003) 36.237 24.445 ( -11.081 -0.675 -2.056) 11.291 24.550 ( -4.429 -0.934 0.761) 4.590 ======================= Grid point 118 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -9.611 0.000 32.073) 33.482 0.509 ( 21.124 -0.000 7.334) 22.361 0.874 ( 40.929 -0.000 6.721) 41.477 1.082 ( -6.676 0.000 -3.980) 7.772 1.323 ( 2.602 -0.000 -0.502) 2.650 2.062 ( 13.824 -0.000 -5.483) 14.872 2.249 ( -0.870 0.000 2.477) 2.625 2.581 ( -9.116 0.000 0.181) 9.118 2.852 ( -4.355 0.000 -4.984) 6.619 2.859 ( 6.141 -0.000 -1.448) 6.310 3.041 ( 1.230 -0.000 0.137) 1.237 3.270 ( 8.965 -0.000 -4.819) 10.178 3.274 ( -4.610 0.000 0.507) 4.638 3.558 ( -5.889 0.000 0.487) 5.909 3.722 ( -4.537 0.000 1.734) 4.857 3.778 ( -2.177 0.000 0.706) 2.288 3.907 ( -1.772 0.000 0.151) 1.778 4.025 ( -4.651 0.000 -1.093) 4.777 4.136 ( -4.560 0.000 -0.565) 4.594 4.245 ( -10.441 0.000 -4.235) 11.267 4.447 ( -8.791 0.000 0.580) 8.810 4.519 ( 12.184 -0.000 -1.303) 12.254 4.748 ( 4.829 -0.000 0.077) 4.829 4.853 ( 8.729 -0.000 -0.570) 8.748 4.914 ( -1.028 0.000 0.476) 1.133 5.201 ( -14.103 0.000 23.471) 27.382 5.275 ( 0.617 -0.000 -5.060) 5.097 5.419 ( 7.939 -0.000 -0.156) 7.941 5.665 ( 3.937 -0.000 5.082) 6.428 5.743 ( -2.727 0.000 -1.104) 2.942 5.993 ( -2.324 0.000 1.433) 2.730 6.190 ( -1.753 0.000 -0.017) 1.753 6.297 ( -2.135 0.000 -1.396) 2.551 6.511 ( -0.387 0.000 2.887) 2.913 6.820 ( -3.787 0.000 -0.925) 3.898 7.384 ( 0.094 -0.000 1.193) 1.197 8.887 ( -0.018 0.000 -0.126) 0.127 9.491 ( -0.575 0.000 -0.124) 0.588 9.817 ( 2.327 -0.000 -0.148) 2.332 10.140 ( -2.760 0.000 0.011) 2.760 10.189 ( 49.248 -0.000 -31.489) 58.454 10.274 ( 4.914 -0.000 -0.084) 4.915 10.593 ( 4.786 -0.000 -1.143) 4.921 11.023 ( -0.575 0.000 -1.774) 1.864 11.356 ( 12.586 -0.000 -13.415) 18.395 11.400 ( 1.681 -0.000 0.056) 1.682 11.594 ( -3.148 0.000 0.105) 3.150 12.728 ( -2.067 0.000 0.018) 2.067 12.933 ( 13.014 -0.000 -15.175) 19.991 13.175 ( 2.913 -0.000 1.409) 3.236 15.388 ( -41.714 0.000 15.018) 44.335 15.689 ( -10.236 0.000 6.922) 12.357 16.010 ( -20.671 0.000 15.614) 25.905 16.279 ( 10.396 -0.000 1.714) 10.537 18.061 ( 0.298 -0.000 0.455) 0.544 18.128 ( -0.100 0.000 -0.459) 0.469 19.827 ( 10.336 -0.000 -1.371) 10.426 20.320 ( 11.955 -0.000 4.677) 12.837 24.537 ( 2.546 -0.000 -1.132) 2.787 25.240 ( 32.711 -0.000 -31.161) 45.178 ======================= Grid point 119 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -1.194 -9.490 21.672) 23.689 0.809 ( 14.731 -8.822 3.008) 17.432 1.308 ( -3.833 -11.871 0.411) 12.481 1.422 ( 25.018 -26.095 0.839) 36.160 1.506 ( 1.243 -21.758 -3.561) 22.083 2.174 ( 2.227 0.599 -2.189) 3.180 2.259 ( 11.255 -3.956 2.989) 12.299 2.578 ( -7.530 -6.911 -3.669) 10.859 2.803 ( -5.180 0.937 -5.853) 7.871 3.004 ( 3.021 -8.965 -0.453) 9.471 3.032 ( 3.550 3.047 3.050) 5.584 3.091 ( -1.997 8.024 -0.146) 8.270 3.468 ( -1.007 -7.054 -2.759) 7.641 3.484 ( -6.957 0.854 0.133) 7.011 3.611 ( -4.257 6.238 1.158) 7.640 3.742 ( -5.965 4.790 0.864) 7.699 3.831 ( -2.963 3.141 -0.252) 4.325 3.946 ( -3.154 3.328 0.564) 4.619 4.058 ( -4.410 1.120 -1.159) 4.695 4.228 ( 0.082 -1.030 -8.177) 8.242 4.450 ( -8.772 -6.896 1.006) 11.204 4.569 ( 5.614 2.427 2.377) 6.562 4.753 ( 1.331 1.349 1.033) 2.158 4.841 ( -3.829 1.039 5.672) 6.922 4.981 ( 10.945 -1.897 1.006) 11.153 5.173 ( 0.651 -4.000 10.695) 11.437 5.243 ( 1.909 3.628 -2.117) 4.614 5.495 ( 4.517 -0.607 -1.270) 4.731 5.695 ( -5.754 1.001 1.304) 5.984 5.710 ( 8.948 1.153 2.845) 9.460 5.970 ( 0.323 1.325 -1.890) 2.331 6.143 ( 3.456 5.405 -0.303) 6.423 6.273 ( 2.232 2.301 -2.612) 4.135 6.453 ( -2.001 4.025 2.281) 5.041 6.963 ( -6.428 -16.501 -3.961) 18.146 7.526 ( -0.205 -14.875 1.427) 14.944 8.990 ( 0.275 -10.654 -0.084) 10.658 9.531 ( 7.009 -1.967 -0.399) 7.291 9.916 ( 2.305 -6.786 -0.434) 7.180 10.112 ( 9.503 1.227 -2.376) 9.872 10.285 ( 2.411 -7.920 -1.786) 8.469 10.499 ( -3.314 -1.562 -0.619) 3.716 10.724 ( -3.223 -3.292 -2.596) 5.288 11.140 ( 4.416 -7.377 -0.575) 8.617 11.237 ( 0.108 5.011 -9.235) 10.507 11.591 ( -3.208 -5.728 -3.816) 7.594 11.667 ( 2.310 -11.654 -8.175) 14.422 12.712 ( -1.703 -0.861 -0.957) 2.134 12.958 ( 0.725 7.885 -3.449) 8.637 13.231 ( 6.061 -6.331 -4.237) 9.735 14.845 ( -19.676 21.080 22.376) 36.499 15.539 ( -8.145 8.050 3.440) 11.957 15.780 ( -7.769 9.269 3.393) 12.561 16.326 ( 13.138 6.081 -0.637) 14.491 18.254 ( -0.996 -13.784 -0.082) 13.821 18.457 ( -17.132 -32.986 -5.831) 37.624 19.923 ( 15.861 1.900 -7.337) 17.579 20.373 ( 12.788 5.078 5.373) 14.771 24.558 ( 4.197 0.768 -0.798) 4.341 25.185 ( 20.017 20.586 -13.634) 31.787 ======================= Grid point 120 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -3.814 -13.322 6.906) 15.483 1.006 ( 8.640 -4.354 0.239) 9.678 1.450 ( 3.840 -6.700 4.449) 8.912 1.840 ( -7.501 -17.198 0.194) 18.763 2.053 ( 13.586 -14.383 -1.710) 19.859 2.198 ( 3.921 -9.145 0.085) 9.950 2.490 ( 11.406 -9.253 0.729) 14.705 2.682 ( -3.484 -6.381 -4.435) 8.516 2.745 ( -1.579 -1.327 -7.530) 7.808 2.910 ( -2.656 6.581 1.140) 7.188 3.074 ( 4.762 0.700 1.224) 4.966 3.174 ( 0.724 -6.761 2.645) 7.296 3.339 ( -4.737 4.448 0.668) 6.532 3.451 ( -1.949 5.371 0.594) 5.744 3.551 ( -0.561 4.205 0.679) 4.296 3.603 ( -12.137 -1.539 -1.595) 12.338 3.778 ( -0.083 0.505 -1.266) 1.365 3.893 ( -5.113 -0.775 2.508) 5.747 4.062 ( -1.466 -2.277 1.127) 2.934 4.248 ( 7.635 1.818 -11.265) 13.730 4.508 ( -9.958 -6.862 1.847) 12.234 4.531 ( -0.736 2.796 1.937) 3.481 4.771 ( 0.483 -2.703 1.515) 3.136 4.806 ( -3.523 -0.042 5.298) 6.363 5.071 ( 6.208 -1.247 3.995) 7.487 5.172 ( 1.937 5.677 -1.138) 6.106 5.324 ( 6.394 -6.697 0.609) 9.279 5.484 ( -1.874 2.373 -2.374) 3.844 5.628 ( -5.224 1.304 2.383) 5.888 5.755 ( 10.133 3.217 2.423) 10.904 5.969 ( 1.789 -0.848 -0.298) 2.002 6.062 ( 2.833 6.137 -0.341) 6.768 6.263 ( 3.680 1.423 -1.980) 4.414 6.373 ( -0.990 3.046 2.153) 3.859 7.243 ( -5.081 -19.393 -4.608) 20.570 7.861 ( -0.837 -22.016 1.758) 22.102 9.216 ( -0.648 -12.431 -0.149) 12.449 9.630 ( 14.111 1.031 -0.659) 14.164 10.020 ( 3.313 -2.446 -1.080) 4.257 10.198 ( 3.864 -4.393 -0.859) 5.913 10.491 ( -0.062 -0.665 0.379) 0.768 10.572 ( -0.844 -16.522 0.075) 16.544 10.650 ( -5.419 0.681 0.894) 5.534 11.065 ( 1.631 4.574 -1.905) 5.217 11.392 ( -5.063 -12.466 -1.393) 13.527 11.635 ( -6.138 -4.065 -0.365) 7.371 11.890 ( -2.546 -13.463 -5.338) 14.705 12.719 ( 0.526 5.275 0.249) 5.307 12.787 ( -2.736 1.848 3.720) 4.974 13.423 ( -0.800 -11.012 -6.139) 12.633 14.433 ( -0.260 18.046 8.582) 19.984 15.282 ( -8.908 12.803 1.203) 15.643 15.535 ( -6.230 12.187 0.785) 13.710 16.266 ( 11.422 11.620 -0.580) 16.304 18.541 ( -3.492 -19.294 1.092) 19.638 18.819 ( -18.434 -24.483 -4.424) 30.965 19.987 ( 14.271 4.487 -6.373) 16.260 20.348 ( 12.599 8.894 4.226) 15.991 24.572 ( 4.337 1.541 -0.254) 4.609 24.985 ( 13.805 15.986 -4.239) 21.543 ======================= Grid point 121 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -6.962 -5.841 -0.676) 9.112 1.179 ( 8.073 -8.489 -2.705) 12.023 1.612 ( 10.267 -4.405 4.851) 12.179 1.924 ( -4.764 0.308 1.309) 4.950 2.196 ( -2.858 -7.141 0.582) 7.713 2.459 ( 1.813 -6.946 1.824) 7.407 2.662 ( 7.924 -0.800 -1.907) 8.189 2.740 ( -3.970 -0.255 0.544) 4.016 2.793 ( 3.379 -1.654 -2.830) 4.708 2.881 ( -0.598 -5.972 -4.288) 7.377 3.073 ( 3.117 1.124 -2.473) 4.135 3.212 ( -2.235 -0.368 0.939) 2.452 3.268 ( -2.335 4.565 -0.067) 5.128 3.464 ( -1.205 -1.597 -1.667) 2.604 3.483 ( 1.729 -7.232 2.979) 8.010 3.591 ( -2.770 -2.767 -0.515) 3.949 3.782 ( -0.295 -0.061 0.359) 0.469 3.892 ( -2.155 -2.367 1.383) 3.487 4.055 ( 1.711 2.906 3.126) 4.599 4.254 ( -0.395 4.098 -4.779) 6.308 4.479 ( -3.137 -1.434 -3.791) 5.125 4.573 ( -7.434 -8.339 0.816) 11.201 4.776 ( -4.815 -1.014 6.357) 8.039 4.861 ( 1.596 -5.564 1.267) 5.926 5.073 ( 0.996 6.023 -2.392) 6.556 5.152 ( 3.459 -3.382 1.699) 5.127 5.399 ( -1.902 1.115 0.970) 2.408 5.462 ( 3.183 0.100 -0.449) 3.216 5.552 ( -2.469 3.259 1.658) 4.412 5.756 ( 9.486 5.094 0.222) 10.769 5.945 ( 4.057 6.867 1.382) 8.095 6.064 ( 1.042 -4.672 -0.700) 4.838 6.269 ( 2.243 1.005 -1.989) 3.162 6.336 ( -0.684 0.553 2.213) 2.382 7.550 ( -2.526 -17.861 -3.061) 18.296 8.259 ( -1.169 -22.661 1.831) 22.765 9.344 ( -4.000 -3.638 -0.294) 5.415 9.697 ( 12.594 3.864 -0.683) 13.191 10.072 ( 2.713 -0.233 -1.155) 2.958 10.335 ( 0.986 -4.110 1.450) 4.468 10.439 ( -0.457 5.517 0.214) 5.540 10.532 ( 5.676 -1.012 -0.404) 5.780 10.848 ( -3.082 -5.056 -0.267) 5.927 11.247 ( 0.037 -24.002 -1.325) 24.038 11.526 ( -8.302 -8.467 0.838) 11.888 11.649 ( -3.675 -2.362 0.266) 4.376 12.127 ( -3.729 -16.191 -1.591) 16.691 12.576 ( 4.913 7.276 3.109) 9.314 12.845 ( 0.223 -4.142 -0.634) 4.196 13.591 ( -8.868 -12.154 -3.096) 15.361 14.157 ( 4.444 15.692 2.294) 16.469 14.965 ( -7.265 14.653 0.499) 16.363 15.272 ( -5.642 10.943 0.291) 12.315 16.098 ( 8.976 16.132 -0.631) 18.472 18.852 ( -5.503 -19.123 1.292) 19.941 19.068 ( -14.274 -18.795 -2.435) 23.726 19.984 ( 11.313 7.384 -3.454) 13.944 20.264 ( 11.814 11.178 2.191) 16.411 24.570 ( 2.842 1.929 -0.034) 3.435 24.836 ( 8.475 10.874 -1.579) 13.877 ======================= Grid point 122 (46/141) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 7.209 -1.499 -5.083) 8.947 1.411 ( 10.089 -8.944 -3.368) 13.897 1.739 ( 4.718 -2.405 1.531) 5.513 1.858 ( -0.260 2.569 5.320) 5.914 2.283 ( 1.686 -2.636 1.028) 3.294 2.531 ( 0.628 -1.595 -0.214) 1.728 2.639 ( -4.015 2.324 -2.337) 5.194 2.740 ( 4.791 0.665 -0.350) 4.850 2.789 ( 0.091 1.599 0.164) 1.610 2.965 ( -5.841 2.869 4.272) 7.784 3.050 ( 2.215 -0.210 -3.940) 4.525 3.205 ( -3.132 -3.828 0.905) 5.028 3.213 ( -4.379 -2.239 -3.631) 6.113 3.525 ( -9.489 -7.237 -3.388) 12.405 3.609 ( 4.396 0.957 -0.194) 4.503 3.652 ( -1.650 -7.038 0.887) 7.283 3.766 ( -0.106 1.650 1.131) 2.003 3.944 ( 7.085 1.553 -1.234) 7.358 4.031 ( 5.398 0.818 1.370) 5.630 4.088 ( -6.327 7.825 1.459) 10.168 4.508 ( -6.952 -5.076 -1.441) 8.728 4.686 ( -6.891 -8.544 0.886) 11.012 4.787 ( 2.230 -2.799 4.743) 5.942 4.952 ( 1.228 2.047 -1.172) 2.660 5.009 ( -0.939 -3.785 -3.301) 5.109 5.232 ( 0.738 -3.215 -0.334) 3.315 5.385 ( 1.168 0.083 2.359) 2.634 5.428 ( -0.061 2.231 3.718) 4.337 5.504 ( 5.003 4.454 -1.000) 6.772 5.721 ( 5.599 6.024 -0.668) 8.251 5.875 ( 6.058 4.624 1.803) 7.831 6.137 ( -0.080 -2.294 0.715) 2.404 6.252 ( -1.393 1.303 -3.358) 3.862 6.327 ( -2.706 -0.410 1.537) 3.139 7.806 ( -0.449 -11.250 -1.473) 11.355 8.606 ( -2.064 -16.089 1.979) 16.342 9.330 ( -4.463 -0.276 -0.239) 4.478 9.710 ( 7.355 2.009 -0.548) 7.644 10.017 ( -1.859 8.179 -0.377) 8.396 10.200 ( 0.808 6.270 0.656) 6.356 10.563 ( 4.315 -1.881 -0.546) 4.739 10.645 ( 8.251 -6.512 -0.121) 10.511 10.880 ( -1.340 -1.695 -0.498) 2.218 11.574 ( -10.814 -7.725 0.731) 13.309 11.602 ( 0.604 -7.319 -0.364) 7.353 11.680 ( -4.251 -7.240 0.726) 8.427 12.391 ( -2.467 -15.545 -0.153) 15.741 12.608 ( 10.241 -3.200 1.288) 10.806 12.880 ( 1.547 1.922 -0.942) 2.641 13.701 ( -7.791 -6.817 -0.293) 10.357 13.937 ( -1.126 9.296 -0.103) 9.364 14.708 ( -1.093 8.476 0.273) 8.550 15.105 ( -4.840 1.944 0.098) 5.217 15.848 ( 5.209 17.587 -0.912) 18.364 19.123 ( -5.668 -16.092 0.946) 17.087 19.273 ( -9.556 -14.942 -1.153) 17.774 19.899 ( 7.473 10.577 -0.834) 12.977 20.150 ( 10.348 11.224 -0.035) 15.266 24.550 ( 0.302 1.684 -0.219) 1.724 24.725 ( 4.013 7.320 -0.482) 8.361 ======================= Grid point 123 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 21.433 1.112 -7.113) 22.610 1.625 ( 12.681 -1.521 -0.416) 12.778 1.757 ( -1.914 -0.661 3.457) 4.006 1.901 ( 8.442 -4.153 4.049) 10.242 2.281 ( 2.387 4.034 0.287) 4.696 2.499 ( -5.320 4.948 -2.356) 7.638 2.607 ( -0.414 0.213 -2.285) 2.332 2.736 ( -2.982 -2.251 0.855) 3.833 2.789 ( 0.584 -0.712 0.693) 1.152 2.882 ( -2.666 -1.130 1.830) 3.425 3.080 ( 4.074 -0.879 -2.150) 4.689 3.178 ( -4.549 1.032 -3.736) 5.977 3.226 ( -10.346 1.436 3.091) 10.893 3.502 ( -12.037 0.356 -3.604) 12.569 3.644 ( -1.992 0.708 -1.089) 2.378 3.655 ( -8.160 1.503 2.646) 8.709 3.756 ( 6.117 -1.447 -0.788) 6.335 3.880 ( 0.736 -0.095 0.970) 1.221 3.990 ( 0.889 2.335 -1.609) 2.972 4.141 ( 8.882 -1.569 1.565) 9.154 4.535 ( -6.199 -4.476 0.067) 7.646 4.726 ( -2.189 0.357 2.654) 3.459 4.884 ( 0.580 3.128 -1.781) 3.646 4.916 ( 4.188 -6.511 2.250) 8.062 5.098 ( -1.971 -5.008 -5.024) 7.363 5.293 ( 0.215 -3.281 3.323) 4.675 5.370 ( 5.188 4.914 -2.366) 7.527 5.398 ( 1.011 2.372 1.110) 2.808 5.512 ( 4.710 -1.572 2.932) 5.767 5.639 ( 2.058 5.602 2.553) 6.491 5.872 ( 7.220 2.220 0.891) 7.606 6.147 ( -0.749 0.597 1.482) 1.765 6.202 ( -4.765 1.042 -4.661) 6.747 6.288 ( -5.831 1.263 1.074) 6.062 7.910 ( 0.372 -0.031 -1.510) 1.555 8.746 ( -3.953 -1.924 2.136) 4.888 9.289 ( -3.128 2.888 0.149) 4.260 9.769 ( 3.464 0.069 -0.678) 3.531 9.891 ( 0.145 -3.042 0.690) 3.122 10.135 ( -0.353 2.934 -0.208) 2.963 10.583 ( 4.349 3.314 -0.605) 5.501 10.712 ( 2.897 5.704 0.024) 6.398 10.895 ( -0.327 -0.842 -0.527) 1.046 11.606 ( -2.317 1.361 0.323) 2.707 11.635 ( -6.208 -7.330 1.118) 9.671 11.814 ( 1.555 -6.796 0.093) 6.972 12.568 ( -0.048 2.777 0.399) 2.806 12.672 ( 3.586 3.042 0.405) 4.720 12.807 ( 0.468 4.396 -0.872) 4.506 13.699 ( 1.071 0.635 0.148) 1.254 13.927 ( -5.247 -10.392 0.085) 11.642 14.686 ( 6.501 -3.503 -0.061) 7.385 15.129 ( -1.688 -6.053 0.074) 6.284 15.598 ( -2.482 9.660 -1.385) 10.069 19.328 ( -3.087 -10.508 0.638) 10.970 19.442 ( -2.141 -8.458 -0.081) 8.725 19.732 ( 0.732 10.988 0.062) 11.013 20.041 ( 6.652 8.197 -1.674) 10.689 24.516 ( -2.476 1.020 -0.540) 2.732 24.638 ( 0.615 4.594 0.121) 4.637 ======================= Grid point 124 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 23.740 5.945 -4.964) 24.972 1.526 ( -0.391 12.919 5.327) 13.980 1.810 ( 9.123 3.433 5.429) 11.157 2.093 ( 9.865 -3.554 0.224) 10.488 2.255 ( 2.063 4.614 -3.264) 6.017 2.318 ( -10.900 -2.208 0.281) 11.125 2.555 ( -4.439 4.765 2.367) 6.929 2.754 ( -7.152 -2.538 -1.392) 7.716 2.865 ( 2.959 -5.961 -2.040) 6.961 2.915 ( -0.718 2.464 -0.395) 2.597 3.026 ( -3.723 8.009 -2.712) 9.239 3.096 ( -3.883 3.337 0.896) 5.198 3.156 ( 2.631 -3.914 -0.784) 4.781 3.354 ( -10.517 1.562 -3.031) 11.056 3.544 ( -6.526 -0.680 2.502) 7.022 3.647 ( -1.732 -0.433 -0.491) 1.852 3.841 ( -0.948 -4.059 0.457) 4.193 3.963 ( -0.782 0.000 -4.437) 4.506 3.993 ( 8.697 -3.399 3.756) 10.065 4.178 ( 4.772 3.078 -1.942) 6.001 4.584 ( -2.855 -4.461 1.206) 5.432 4.643 ( 1.616 6.446 -1.482) 6.808 4.857 ( -0.560 1.074 2.256) 2.561 5.025 ( 1.314 -2.023 0.862) 2.562 5.135 ( 1.316 1.755 -2.396) 3.248 5.268 ( 2.847 5.677 -0.168) 6.353 5.367 ( 1.064 -4.318 1.776) 4.789 5.413 ( -4.010 -1.113 4.907) 6.434 5.478 ( 0.747 6.127 -3.147) 6.928 5.674 ( 7.596 -4.470 5.195) 10.231 5.899 ( 6.401 1.110 -0.950) 6.565 6.098 ( -3.687 2.458 1.796) 4.781 6.137 ( -6.873 2.693 -4.013) 8.402 6.232 ( -3.890 -1.989 1.173) 4.523 7.824 ( 1.088 9.485 -3.317) 10.107 8.622 ( -2.144 12.744 2.368) 13.139 9.190 ( -7.123 1.578 0.096) 7.296 9.723 ( 2.903 6.457 -0.346) 7.088 10.075 ( -1.185 3.117 -0.464) 3.367 10.135 ( 1.675 -17.566 1.532) 17.712 10.494 ( -1.278 8.697 0.185) 8.792 10.561 ( 1.375 8.801 -0.222) 8.910 10.910 ( 1.471 -0.476 -0.712) 1.702 11.504 ( -2.430 9.406 0.214) 9.717 11.729 ( -0.618 -3.256 1.560) 3.663 11.941 ( 6.909 -2.979 -0.186) 7.526 12.274 ( -4.675 16.096 1.336) 16.814 12.529 ( 3.320 14.140 -1.641) 14.617 12.860 ( -1.693 -5.299 0.767) 5.615 13.767 ( -1.642 -9.282 1.534) 9.550 14.042 ( 2.308 1.772 -1.672) 3.356 14.916 ( 10.635 -13.718 -0.278) 17.360 15.231 ( 4.639 -4.685 -0.090) 6.594 15.552 ( -13.063 -11.593 -1.053) 17.497 19.369 ( 7.162 16.557 3.223) 18.325 19.451 ( 2.909 0.979 -1.121) 3.267 19.676 ( -6.549 -9.088 -2.853) 11.559 19.978 ( -1.957 0.631 -1.728) 2.686 24.475 ( -4.473 0.435 -0.642) 4.540 24.572 ( -1.428 2.363 0.338) 2.781 ======================= Grid point 125 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.695 14.952 9.865) 17.926 1.341 ( 20.178 16.259 -0.616) 25.921 1.667 ( -6.317 12.749 0.674) 14.244 1.993 ( -13.229 7.236 5.933) 16.204 2.173 ( 6.438 7.831 -4.457) 11.074 2.347 ( -2.581 12.987 2.641) 13.502 2.515 ( 2.775 -9.668 -0.083) 10.059 2.628 ( -5.768 15.470 -1.302) 16.562 2.748 ( -3.998 -3.296 -2.185) 5.624 2.938 ( 2.877 2.521 -6.344) 7.407 2.991 ( 0.251 -1.627 -1.462) 2.202 3.160 ( 3.358 -8.896 0.519) 9.523 3.283 ( 1.530 -8.068 0.495) 8.227 3.357 ( -2.110 -5.506 0.190) 5.900 3.504 ( -5.985 -0.688 2.780) 6.635 3.684 ( 2.751 -2.470 -2.132) 4.268 3.892 ( 2.799 0.383 -4.432) 5.256 3.954 ( 2.011 -0.186 -3.642) 4.164 4.030 ( -2.590 2.227 -2.652) 4.325 4.172 ( 4.553 0.656 1.625) 4.878 4.568 ( -2.966 0.100 0.753) 3.061 4.627 ( 1.459 0.989 2.249) 2.857 4.823 ( 0.646 2.720 3.140) 4.205 4.978 ( 2.461 9.127 -1.868) 9.636 5.074 ( -3.175 0.055 1.959) 3.732 5.194 ( -1.608 8.376 5.734) 10.277 5.364 ( -2.826 -4.340 -2.547) 5.771 5.440 ( -0.999 -1.816 -0.701) 2.188 5.457 ( 2.179 0.709 3.361) 4.068 5.797 ( 5.344 -1.287 1.759) 5.771 5.926 ( 3.763 1.164 1.188) 4.114 5.987 ( -3.720 2.208 -0.513) 4.356 6.105 ( -4.294 -3.961 -1.476) 6.026 6.281 ( -1.204 -4.928 1.360) 5.253 7.621 ( 1.795 13.961 -5.625) 15.158 8.293 ( -0.854 21.603 2.613) 21.778 9.152 ( -6.857 -3.355 -0.139) 7.635 9.538 ( 0.124 15.555 -0.290) 15.558 10.006 ( -1.258 3.423 -0.756) 3.724 10.297 ( -1.162 9.460 -0.654) 9.554 10.466 ( 2.839 -7.190 1.846) 7.948 10.491 ( -0.893 -8.295 2.060) 8.593 10.933 ( 2.463 -0.191 -0.973) 2.655 11.157 ( -1.474 26.817 -0.079) 26.858 11.662 ( 0.889 7.480 0.003) 7.533 12.011 ( 6.542 4.681 0.645) 8.070 12.131 ( -7.942 -1.757 2.114) 8.404 12.351 ( 6.203 5.534 -4.591) 9.496 12.885 ( -0.435 1.138 1.277) 1.765 13.824 ( -1.145 17.746 -5.343) 18.568 14.056 ( 1.144 -20.322 6.642) 21.411 15.256 ( 6.805 -13.905 -0.209) 15.482 15.439 ( 6.766 -13.771 0.006) 15.344 15.713 ( -12.528 -15.866 -0.251) 20.217 19.028 ( 2.197 23.147 3.386) 23.497 19.426 ( 12.307 9.578 -8.148) 17.595 19.806 ( -3.402 -8.503 -2.180) 9.414 19.987 ( -11.374 -7.122 0.214) 13.422 24.434 ( -3.502 0.320 0.008) 3.516 24.532 ( -2.016 0.626 0.159) 2.117 ======================= Grid point 126 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -3.650 12.671 18.980) 23.111 1.063 ( 4.741 25.546 4.341) 26.342 1.414 ( 0.479 15.657 -4.818) 16.388 1.645 ( -9.111 19.179 7.534) 22.530 2.014 ( 3.124 16.027 -1.318) 16.382 2.117 ( 6.151 13.732 -6.246) 16.291 2.290 ( -5.162 7.867 1.688) 9.559 2.759 ( -0.131 -6.524 -2.892) 7.137 2.811 ( -1.441 -7.432 -3.271) 8.247 2.905 ( 1.933 2.693 -6.141) 6.978 3.005 ( 0.713 -0.374 -0.345) 0.876 3.199 ( -0.143 7.684 2.230) 8.002 3.460 ( 1.522 -6.284 -3.307) 7.262 3.488 ( 0.436 -8.944 1.033) 9.013 3.569 ( -2.640 -12.415 2.307) 12.901 3.667 ( 3.460 7.470 -5.217) 9.746 3.877 ( 7.948 2.903 -5.303) 9.986 3.982 ( -6.702 -2.746 -3.609) 8.092 4.076 ( 2.894 -8.552 0.307) 9.033 4.177 ( -1.602 0.144 3.002) 3.406 4.515 ( -3.310 4.003 4.442) 6.835 4.633 ( -0.790 -1.906 0.384) 2.099 4.754 ( 0.904 5.576 1.654) 5.886 4.820 ( 3.282 8.758 -1.770) 9.519 5.027 ( -3.597 6.122 4.371) 8.338 5.113 ( 0.287 -4.542 0.485) 4.577 5.341 ( -7.784 3.609 8.265) 11.913 5.449 ( 4.213 2.246 -2.205) 5.259 5.509 ( 2.346 -5.244 1.823) 6.027 5.801 ( -1.235 1.339 0.582) 1.912 5.912 ( 0.828 -1.257 1.559) 2.167 6.039 ( -0.404 -5.336 0.128) 5.353 6.178 ( 0.828 -5.065 -1.053) 5.239 6.373 ( -1.112 -5.917 2.141) 6.390 7.368 ( -0.015 15.125 -6.943) 16.642 7.885 ( -0.965 22.391 2.308) 22.530 9.192 ( -0.033 -4.036 -0.250) 4.044 9.235 ( 0.302 16.595 -0.134) 16.598 9.936 ( -0.116 3.810 -1.554) 4.117 10.105 ( -0.530 11.030 -0.233) 11.045 10.502 ( -0.401 -2.741 0.310) 2.788 10.641 ( 0.413 23.490 0.495) 23.499 10.765 ( -0.301 -10.025 2.991) 10.466 10.973 ( 2.234 -2.275 -1.284) 3.437 11.543 ( -0.938 6.594 0.096) 6.661 11.853 ( 1.055 12.774 -0.371) 12.823 11.960 ( -10.494 15.698 -15.230) 24.259 12.499 ( 13.933 -8.226 -1.154) 16.221 12.841 ( 0.103 2.783 1.349) 3.094 13.438 ( -1.616 20.462 -7.510) 21.856 14.556 ( -1.930 -34.965 20.017) 40.335 15.495 ( 0.803 -10.100 -0.211) 10.134 15.739 ( 0.950 -13.343 0.069) 13.377 15.903 ( -1.947 -12.796 0.802) 12.968 18.619 ( -0.304 22.620 2.192) 22.728 19.293 ( 14.222 18.846 -22.477) 32.599 19.877 ( -19.996 -8.102 3.649) 21.881 20.052 ( -1.694 -6.839 0.430) 7.059 24.438 ( 6.963 -1.049 1.937) 7.303 24.517 ( -1.225 -0.352 -0.275) 1.304 ======================= Grid point 129 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 13.292 -0.000 18.954) 23.150 0.870 ( 16.990 -0.000 -0.155) 16.990 0.952 ( -3.453 0.000 -1.321) 3.697 1.332 ( -1.892 0.000 3.939) 4.370 1.536 ( 39.469 -0.000 -0.835) 39.478 2.197 ( -0.667 0.000 -1.030) 1.227 2.326 ( 13.458 -0.000 3.514) 13.910 2.455 ( -5.642 0.000 -2.843) 6.318 2.759 ( -6.810 0.000 -4.384) 8.099 2.950 ( 4.696 -0.000 -2.954) 5.547 3.095 ( 6.862 -0.000 2.755) 7.394 3.162 ( -9.167 0.000 2.186) 9.424 3.361 ( 1.834 -0.000 -1.693) 2.495 3.445 ( -7.515 0.000 -0.417) 7.527 3.620 ( -7.870 0.000 1.773) 8.068 3.721 ( -3.925 0.000 1.737) 4.292 3.869 ( -1.723 0.000 -2.029) 2.662 3.946 ( -6.431 0.000 2.418) 6.871 4.067 ( -4.318 0.000 -0.133) 4.320 4.204 ( 4.902 -0.000 -11.149) 12.179 4.280 ( -11.644 0.000 0.598) 11.659 4.622 ( 0.934 -0.000 0.632) 1.127 4.780 ( 2.148 -0.000 -0.396) 2.184 4.828 ( -5.584 0.000 8.988) 10.581 5.085 ( 16.936 -0.000 0.055) 16.936 5.122 ( -1.580 0.000 9.082) 9.218 5.275 ( -1.141 0.000 -2.594) 2.833 5.563 ( 9.480 -0.000 -0.266) 9.483 5.658 ( -5.808 0.000 2.759) 6.430 5.773 ( 5.634 -0.000 3.146) 6.453 5.996 ( 1.968 -0.000 -5.460) 5.804 6.208 ( -1.500 0.000 1.489) 2.114 6.339 ( 7.780 -0.000 -3.925) 8.714 6.477 ( -2.289 0.000 0.136) 2.293 6.740 ( -5.891 0.000 -1.118) 5.996 7.386 ( 0.019 -0.000 1.281) 1.281 8.887 ( 0.076 -0.000 -0.068) 0.102 9.475 ( -1.637 0.000 -0.113) 1.641 9.862 ( 3.120 -0.000 -0.155) 3.124 10.099 ( -2.291 0.000 -0.024) 2.292 10.375 ( 7.887 -0.000 -0.047) 7.887 10.422 ( -1.685 0.000 -4.038) 4.375 10.695 ( 0.452 -0.000 -2.571) 2.610 11.095 ( 7.920 -0.000 -5.133) 9.438 11.431 ( 1.399 -0.000 0.036) 1.399 11.497 ( 4.042 -0.000 -17.434) 17.896 11.526 ( -4.754 0.000 0.123) 4.755 12.682 ( -3.561 0.000 0.007) 3.561 13.012 ( -6.163 0.000 -4.059) 7.379 13.250 ( 9.535 -0.000 -3.386) 10.118 14.866 ( -17.923 0.000 17.452) 25.016 15.555 ( -7.620 0.000 5.047) 9.140 15.807 ( -8.299 0.000 3.589) 9.042 16.478 ( 11.420 -0.000 -0.659) 11.439 18.067 ( 0.457 -0.000 0.459) 0.648 18.125 ( -0.140 0.000 -0.463) 0.484 20.070 ( 16.120 -0.000 -9.313) 18.617 20.522 ( 12.756 -0.000 6.487) 14.311 24.606 ( 5.857 -0.000 -0.139) 5.859 25.494 ( 5.016 -0.000 -19.317) 19.957 ======================= Grid point 130 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 12.571 -0.984 7.550) 14.697 1.046 ( 9.396 -6.398 -3.781) 11.980 1.236 ( 0.320 -20.842 1.808) 20.923 1.417 ( 0.601 -13.629 6.778) 15.234 1.956 ( 26.688 -12.756 -3.515) 29.788 2.170 ( -0.241 1.276 0.108) 1.303 2.457 ( 10.487 -4.224 3.131) 11.731 2.497 ( -1.481 -7.087 -5.612) 9.160 2.707 ( -7.043 -0.432 -4.508) 8.373 2.982 ( -7.531 2.271 -1.288) 7.971 3.076 ( 3.111 -2.623 3.389) 5.296 3.154 ( 9.747 1.260 2.641) 10.176 3.359 ( -6.116 2.372 -0.676) 6.595 3.426 ( -3.696 -4.671 0.416) 5.971 3.525 ( -5.927 3.929 1.376) 7.243 3.658 ( -3.928 5.019 1.063) 6.461 3.804 ( -0.496 2.974 -0.506) 3.058 3.874 ( -5.440 1.801 1.800) 6.006 4.014 ( -2.892 0.097 -0.834) 3.012 4.261 ( -1.848 -6.178 -6.178) 8.930 4.317 ( -1.481 -4.637 -3.636) 6.076 4.584 ( -2.910 2.979 1.693) 4.496 4.773 ( 0.320 2.469 0.502) 2.540 4.789 ( -1.644 0.097 6.896) 7.090 5.102 ( 2.315 -0.453 3.529) 4.245 5.233 ( -2.972 1.991 -2.309) 4.258 5.285 ( 11.959 -5.209 0.643) 13.060 5.551 ( -0.484 5.446 0.389) 5.482 5.618 ( -0.555 1.042 2.107) 2.415 5.845 ( 6.785 -2.048 3.252) 7.798 5.989 ( 2.236 2.103 -3.853) 4.926 6.157 ( -2.634 2.662 2.488) 4.496 6.360 ( 8.410 4.333 -3.853) 10.215 6.419 ( -1.468 3.800 1.055) 4.208 6.867 ( -5.406 -16.477 -3.167) 17.628 7.522 ( -0.336 -14.406 1.392) 14.477 8.997 ( 0.595 -10.889 -0.036) 10.906 9.590 ( 1.168 -11.352 -0.124) 11.412 9.955 ( 2.511 -6.622 -0.240) 7.086 10.116 ( -3.323 -4.567 0.001) 5.648 10.382 ( -0.261 -0.049 -1.821) 1.840 10.477 ( 5.884 -3.416 0.161) 6.805 10.664 ( -3.795 2.007 -0.430) 4.315 11.205 ( 2.413 -5.517 -3.807) 7.124 11.245 ( 1.080 11.797 -3.025) 12.226 11.530 ( -2.721 -3.284 0.267) 4.273 11.661 ( -3.312 -9.885 -7.891) 13.075 12.675 ( -2.789 -2.608 -0.436) 3.843 12.877 ( -8.341 6.341 5.070) 11.640 13.342 ( 6.838 -1.676 -5.369) 8.854 14.679 ( -2.660 10.159 8.569) 13.553 15.414 ( -7.526 8.609 2.991) 11.820 15.672 ( -5.896 8.163 0.818) 10.102 16.507 ( 9.522 6.055 -0.439) 11.293 18.237 ( -1.153 -11.967 0.036) 12.022 18.283 ( -6.294 -20.813 -1.216) 21.778 20.166 ( 14.087 2.699 -7.560) 16.213 20.574 ( 11.863 5.123 5.554) 14.065 24.643 ( 6.049 1.452 0.683) 6.259 25.362 ( 4.701 14.722 -10.487) 18.677 ======================= Grid point 131 (53/141) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 4.712 -3.824 -1.698) 6.302 1.198 ( 13.487 -3.002 -1.690) 13.920 1.585 ( 11.919 -11.176 5.949) 17.389 1.724 ( -5.150 -18.008 1.228) 18.770 2.108 ( -0.857 0.658 0.010) 1.081 2.334 ( 6.269 -9.001 0.649) 10.988 2.606 ( -0.671 -3.552 -0.363) 3.633 2.650 ( 1.261 -9.182 -5.704) 10.883 2.723 ( -0.803 -9.373 -7.244) 11.873 2.859 ( -2.807 4.358 1.994) 5.554 3.154 ( 4.304 4.062 2.087) 6.276 3.186 ( -0.966 -2.277 1.458) 2.871 3.318 ( 1.562 0.470 0.701) 1.776 3.381 ( -8.637 3.453 -1.267) 9.388 3.463 ( -1.347 0.268 2.409) 2.773 3.556 ( 2.532 0.336 0.257) 2.567 3.802 ( 3.261 0.172 0.441) 3.295 3.835 ( -1.242 -2.222 1.462) 2.936 4.022 ( -4.013 -3.555 2.280) 5.826 4.322 ( -5.947 0.823 -0.186) 6.006 4.389 ( 3.168 -6.243 -7.617) 10.345 4.491 ( -3.664 4.030 -0.948) 5.529 4.716 ( -4.284 1.332 1.928) 4.883 4.808 ( 0.223 -2.747 5.425) 6.085 5.132 ( -2.877 0.310 1.735) 3.374 5.159 ( 0.877 1.410 -3.158) 3.568 5.417 ( 0.948 1.979 0.053) 2.195 5.476 ( 1.970 -0.442 3.446) 3.994 5.598 ( 3.985 1.233 0.072) 4.172 5.912 ( 8.639 2.387 2.624) 9.339 5.993 ( 1.328 -2.189 -2.294) 3.438 6.080 ( -1.036 4.490 0.478) 4.632 6.339 ( 4.966 4.538 -2.596) 7.211 6.345 ( -1.294 2.255 2.231) 3.426 7.171 ( -3.699 -20.818 -3.034) 21.361 7.848 ( -0.804 -21.599 1.517) 21.667 9.200 ( -1.347 -9.238 -0.068) 9.336 9.794 ( 6.605 -5.637 -0.266) 8.687 10.075 ( 4.081 -3.764 -0.685) 5.594 10.224 ( 0.207 -7.219 -0.153) 7.224 10.443 ( -5.613 -11.847 0.350) 13.114 10.558 ( -3.622 6.057 0.437) 7.071 10.646 ( 6.029 -8.663 -0.211) 10.557 11.074 ( -0.533 3.722 -4.430) 5.810 11.333 ( -1.854 -6.925 0.935) 7.230 11.579 ( -1.153 -3.128 0.134) 3.336 11.817 ( -6.008 -13.497 -3.619) 15.210 12.708 ( -1.366 3.348 2.742) 4.538 12.750 ( -1.893 -3.645 1.631) 4.419 13.399 ( -1.816 -2.893 -3.277) 4.734 14.474 ( 4.741 14.232 2.922) 15.283 15.158 ( -6.835 13.003 1.191) 14.738 15.440 ( -5.470 12.245 0.124) 13.412 16.415 ( 7.403 11.811 -0.334) 13.943 18.489 ( -2.963 -17.266 0.682) 17.531 18.603 ( -9.474 -21.367 -1.781) 23.441 20.194 ( 11.522 5.642 -4.363) 13.551 20.535 ( 10.390 8.950 3.372) 14.122 24.646 ( 4.641 2.971 1.128) 5.625 25.132 ( 5.399 14.766 -4.938) 16.479 ======================= Grid point 132 (54/141) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 9.507 -7.503 -6.612) 13.798 1.402 ( 18.399 -5.651 -2.119) 19.363 1.747 ( 2.450 -0.813 1.039) 2.783 1.903 ( 4.703 -1.112 4.223) 6.418 2.167 ( -0.845 -9.893 1.176) 9.999 2.450 ( -3.628 -5.032 3.529) 7.137 2.621 ( -7.083 -1.380 0.247) 7.221 2.775 ( 4.840 -2.872 -2.686) 6.236 2.827 ( 2.021 0.213 -1.755) 2.685 2.908 ( 2.947 -8.328 -5.172) 10.237 3.059 ( -7.903 8.007 1.964) 11.420 3.147 ( -4.385 -1.145 -2.859) 5.358 3.215 ( -2.878 6.753 -0.044) 7.341 3.316 ( -9.695 -4.232 -1.472) 10.681 3.546 ( 0.553 -4.681 3.131) 5.659 3.630 ( 5.769 -2.443 0.146) 6.267 3.820 ( 3.798 0.601 -0.035) 3.845 3.952 ( 8.716 -5.904 1.508) 10.635 4.068 ( 0.524 -1.953 4.249) 4.705 4.195 ( -4.628 7.847 -2.331) 9.404 4.391 ( -6.611 -0.070 1.576) 6.797 4.522 ( -0.850 -5.051 -6.223) 8.059 4.684 ( -6.588 -4.306 2.916) 8.393 4.882 ( 0.461 -4.855 2.272) 5.380 5.060 ( -1.828 2.794 -2.056) 3.921 5.202 ( 2.296 -1.809 -1.451) 3.263 5.367 ( -2.434 0.250 4.473) 5.098 5.465 ( 0.543 1.750 3.670) 4.102 5.641 ( 9.826 2.864 -1.704) 10.376 5.898 ( 7.798 6.730 -1.183) 10.368 5.997 ( 1.757 3.983 1.778) 4.702 6.070 ( -0.217 -4.564 -1.063) 4.691 6.277 ( -3.201 2.341 0.455) 3.991 6.312 ( 0.376 2.337 -0.937) 2.545 7.518 ( -1.397 -19.500 -1.529) 19.610 8.240 ( -1.150 -22.252 1.642) 22.342 9.258 ( -5.641 -1.780 -0.163) 5.918 9.865 ( 8.057 3.752 -0.393) 8.896 10.107 ( 1.474 3.587 -0.835) 3.967 10.343 ( -0.323 6.135 1.133) 6.247 10.457 ( 3.285 -8.514 -0.029) 9.126 10.642 ( 6.922 -7.436 -0.477) 10.171 10.803 ( -2.415 -5.388 -0.509) 5.927 11.201 ( -5.783 -18.312 -1.921) 19.299 11.435 ( -2.476 -7.747 0.900) 8.183 11.605 ( -2.391 -1.387 0.159) 2.769 12.065 ( -3.437 -17.881 -0.883) 18.230 12.666 ( 5.950 0.712 2.403) 6.456 12.849 ( 0.073 -5.342 -0.621) 5.378 13.441 ( -9.252 -7.599 -1.350) 12.049 14.235 ( 4.869 17.387 0.622) 18.066 14.880 ( -3.544 12.270 0.611) 12.786 15.182 ( -5.331 10.668 -0.045) 11.926 16.207 ( 4.972 16.857 -0.404) 17.580 18.779 ( -3.469 -17.801 0.621) 18.146 18.888 ( -8.569 -18.939 -1.211) 20.822 20.145 ( 8.660 8.977 -1.398) 12.551 20.429 ( 8.465 11.120 0.937) 14.006 24.612 ( 2.389 3.827 1.027) 4.627 24.931 ( 3.614 11.888 -2.514) 12.677 ======================= Grid point 133 (55/141) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 17.517 -7.967 -8.206) 20.920 1.671 ( 19.874 -6.045 -1.689) 20.842 1.728 ( -2.385 0.701 0.933) 2.655 1.930 ( 5.768 -0.014 3.865) 6.943 2.330 ( 0.520 -4.607 3.398) 5.748 2.492 ( -4.295 -3.366 0.040) 5.457 2.590 ( -0.676 0.844 -2.717) 2.925 2.755 ( -2.153 5.983 -0.227) 6.362 2.828 ( -3.578 6.993 0.578) 7.876 2.856 ( -0.610 0.476 3.150) 3.244 3.056 ( -5.936 -6.059 -1.271) 8.577 3.122 ( -0.753 -0.017 -2.712) 2.815 3.142 ( -3.445 -1.913 -1.902) 4.375 3.342 ( -9.734 -6.028 -2.031) 11.628 3.564 ( -7.068 -1.125 1.498) 7.312 3.718 ( 7.938 -0.601 1.098) 8.036 3.818 ( 2.795 2.475 -0.070) 3.734 3.958 ( -2.126 9.606 -1.616) 9.970 4.041 ( -1.292 3.599 0.906) 3.930 4.166 ( 8.734 -4.153 0.404) 9.679 4.407 ( -4.144 -4.265 1.538) 6.143 4.578 ( -5.669 -7.536 0.861) 9.469 4.791 ( -2.800 -9.340 0.587) 9.768 4.975 ( 1.651 -3.536 -0.830) 3.989 5.008 ( 1.671 1.953 -3.773) 4.565 5.244 ( 0.783 -2.131 1.106) 2.525 5.364 ( -3.083 -1.118 3.437) 4.750 5.483 ( 4.437 -1.571 5.530) 7.262 5.616 ( 8.124 7.823 -3.418) 11.784 5.805 ( 4.918 8.305 0.238) 9.655 5.973 ( 4.637 2.435 1.839) 5.551 6.127 ( -1.103 -2.424 0.225) 2.673 6.199 ( -4.561 3.125 -3.333) 6.455 6.266 ( -3.918 1.355 0.120) 4.147 7.802 ( -0.085 -11.994 -0.714) 12.015 8.568 ( -2.314 -14.317 1.897) 14.626 9.251 ( -4.165 -3.238 -0.044) 5.276 9.826 ( 6.444 5.572 -0.349) 8.526 9.979 ( -2.904 8.624 -0.089) 9.101 10.206 ( 0.083 5.382 0.088) 5.383 10.643 ( 5.048 -3.099 -0.054) 5.923 10.804 ( 10.718 -1.378 -0.441) 10.815 10.852 ( -1.999 -3.007 -0.784) 3.695 11.393 ( -11.121 -11.341 0.228) 15.885 11.587 ( -1.964 -2.216 -0.395) 2.987 11.639 ( -1.072 -11.159 0.804) 11.239 12.358 ( -1.414 -16.176 0.091) 16.238 12.775 ( 9.460 -2.456 0.903) 9.816 12.899 ( 0.867 0.974 -0.879) 1.573 13.550 ( -9.417 -14.012 0.059) 16.882 13.941 ( 0.776 16.602 -0.186) 16.621 14.722 ( 2.253 3.722 0.398) 4.369 15.027 ( -4.652 1.069 -0.185) 4.777 15.904 ( 2.122 19.914 -0.705) 20.040 19.057 ( -2.453 -15.796 0.300) 15.988 19.146 ( -6.093 -16.851 -0.531) 17.927 20.006 ( 5.431 13.037 0.827) 14.147 20.283 ( 5.930 11.545 -1.369) 13.051 24.554 ( 0.359 3.773 0.665) 3.848 24.765 ( 1.134 8.821 -1.268) 8.983 ======================= Grid point 134 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 17.833 -1.921 -7.228) 19.338 1.669 ( -2.500 3.506 3.302) 5.426 1.871 ( 7.855 -2.710 3.164) 8.891 2.085 ( 14.345 -7.517 0.361) 16.200 2.314 ( -1.931 3.493 -0.093) 3.993 2.381 ( -5.636 11.162 -1.511) 12.595 2.603 ( -4.442 0.784 -1.235) 4.677 2.627 ( -6.268 3.191 2.615) 7.504 2.733 ( -4.044 -6.765 -2.440) 8.251 2.902 ( 3.116 -2.134 1.981) 4.265 3.052 ( -7.269 -1.647 1.697) 7.644 3.126 ( -2.626 1.463 -0.145) 3.010 3.172 ( 6.389 -0.675 -3.960) 7.547 3.345 ( -4.967 1.161 -3.237) 6.041 3.483 ( -8.459 1.664 1.687) 8.784 3.689 ( 2.850 5.887 0.865) 6.598 3.753 ( -4.767 0.866 0.377) 4.860 3.956 ( 2.932 -0.901 -1.085) 3.253 3.998 ( 4.097 -2.767 1.207) 5.089 4.240 ( 0.862 -0.501 -1.229) 1.583 4.476 ( 0.656 -5.114 1.869) 5.484 4.681 ( -1.893 -4.752 1.728) 5.399 4.846 ( -4.695 0.589 -0.397) 4.749 5.018 ( 7.051 -1.605 -3.141) 7.884 5.089 ( 0.594 -5.571 -4.707) 7.317 5.291 ( -0.501 -3.032 4.010) 5.052 5.363 ( -2.650 -1.372 4.049) 5.029 5.475 ( 5.294 10.053 -2.104) 11.555 5.574 ( 1.683 -0.527 1.747) 2.482 5.693 ( 2.229 6.021 5.552) 8.488 5.982 ( 5.009 0.504 -0.438) 5.053 6.087 ( -4.803 4.072 -3.692) 7.299 6.166 ( 0.126 -1.987 -0.924) 2.195 6.190 ( -4.612 3.680 1.008) 5.986 7.914 ( 0.158 -0.400 -1.483) 1.544 8.686 ( -2.609 -1.822 1.880) 3.696 9.251 ( -1.244 4.152 0.594) 4.375 9.814 ( 1.719 2.263 -0.569) 2.898 9.891 ( -0.276 -6.433 0.821) 6.491 10.131 ( -0.112 3.657 -0.270) 3.669 10.632 ( 1.258 6.257 0.010) 6.382 10.773 ( 3.265 10.753 -0.270) 11.241 10.894 ( 0.352 -2.366 -0.944) 2.572 11.526 ( -4.762 -8.566 -0.011) 9.801 11.588 ( -0.345 -2.494 1.827) 3.111 11.833 ( 0.444 -9.918 -0.295) 9.933 12.562 ( -0.368 -0.334 0.372) 0.621 12.733 ( 2.976 7.982 0.303) 8.524 12.809 ( -0.354 8.827 -0.693) 8.861 13.723 ( 1.628 3.434 0.126) 3.803 13.843 ( -4.046 -18.554 0.197) 18.991 14.793 ( 5.310 -7.635 -0.001) 9.300 15.089 ( -2.701 -10.907 -0.284) 11.240 15.563 ( -1.303 17.367 -1.200) 17.458 19.293 ( -1.021 -12.147 0.387) 12.196 19.398 ( -2.299 -15.216 -0.435) 15.395 19.766 ( 2.458 17.358 2.295) 17.680 20.116 ( 2.004 10.767 -3.599) 11.528 24.491 ( -0.395 3.056 0.429) 3.111 24.637 ( -0.589 5.765 -0.609) 5.827 ======================= Grid point 135 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.497 13.895 6.313) 15.464 1.619 ( 2.241 1.310 -6.503) 7.002 1.938 ( -17.446 5.131 5.735) 19.068 1.961 ( 11.465 16.038 1.557) 19.776 2.324 ( -3.345 -7.364 -2.302) 8.409 2.346 ( 8.293 -0.922 -3.244) 8.953 2.472 ( -3.338 8.063 4.018) 9.607 2.612 ( -3.513 -5.043 -0.656) 6.181 2.865 ( -2.740 -3.640 -1.495) 4.795 2.923 ( 2.491 1.429 1.274) 3.142 3.001 ( -0.305 4.797 -4.440) 6.544 3.080 ( 1.528 -0.054 0.721) 1.690 3.239 ( 6.701 -1.400 -3.012) 7.479 3.264 ( 0.318 -1.223 -2.778) 3.052 3.448 ( -5.422 -1.078 5.493) 7.793 3.670 ( 4.382 -1.123 -0.694) 4.577 3.760 ( -5.157 -5.645 -0.139) 7.648 3.935 ( -3.934 -0.436 -3.224) 5.105 4.112 ( 5.073 -0.682 3.678) 6.303 4.244 ( 1.550 1.180 -3.099) 3.660 4.560 ( 0.409 -1.697 -0.917) 1.972 4.659 ( 0.694 3.323 0.923) 3.518 4.831 ( -1.292 -1.705 0.872) 2.310 5.031 ( -0.786 2.479 -1.392) 2.950 5.199 ( 4.667 -0.602 -3.819) 6.061 5.279 ( -3.678 3.968 4.383) 6.963 5.312 ( -3.427 6.362 1.374) 7.356 5.402 ( 1.936 -1.711 2.119) 3.342 5.501 ( 1.261 2.893 2.256) 3.879 5.737 ( -2.517 -6.186 3.807) 7.687 5.985 ( -6.377 1.447 -4.212) 7.778 6.023 ( 5.605 2.199 -1.175) 6.135 6.077 ( 1.349 4.435 2.084) 5.083 6.212 ( 1.040 -2.602 0.413) 2.832 7.835 ( 0.282 8.779 -3.575) 9.483 8.596 ( -0.517 11.478 2.224) 11.703 9.132 ( 0.080 4.518 0.415) 4.538 9.744 ( -0.391 6.849 -0.401) 6.871 10.056 ( -0.895 1.836 -0.546) 2.114 10.161 ( 1.269 -16.584 1.870) 16.738 10.484 ( -0.297 9.589 0.296) 9.598 10.573 ( 0.027 10.226 -0.158) 10.228 10.927 ( 0.219 -1.097 -0.824) 1.389 11.484 ( 0.538 8.979 0.353) 9.002 11.720 ( -0.175 -5.195 1.917) 5.540 11.990 ( -1.415 -6.270 -1.200) 6.539 12.246 ( 1.396 19.639 2.085) 19.799 12.565 ( 0.903 14.085 -1.998) 14.255 12.835 ( -1.232 -6.106 1.077) 6.322 13.749 ( -0.478 -7.149 1.519) 7.324 14.057 ( -0.020 -1.537 -1.680) 2.277 15.028 ( 0.504 -14.448 -0.306) 14.460 15.344 ( 4.496 -16.212 -0.318) 16.827 15.352 ( -4.475 1.117 -0.954) 4.710 19.424 ( -2.132 19.264 2.597) 19.555 19.477 ( 1.596 -7.545 0.054) 7.712 19.651 ( 4.517 -10.906 0.110) 11.805 19.929 ( -4.820 8.856 -6.049) 11.758 24.449 ( 1.518 1.734 0.602) 2.382 24.553 ( -0.838 2.965 -0.374) 3.104 ======================= Grid point 136 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 1.092 17.841 11.882) 21.464 1.402 ( -21.381 15.892 -2.536) 26.761 1.655 ( 3.907 8.837 2.646) 10.018 1.862 ( 4.445 11.261 0.006) 12.107 2.280 ( 4.130 11.684 3.409) 12.853 2.320 ( 0.145 5.319 -2.049) 5.702 2.468 ( -5.559 1.251 -0.233) 5.703 2.601 ( 2.019 1.255 -2.158) 3.211 2.766 ( 5.039 1.097 -1.507) 5.373 2.958 ( -1.011 1.324 -6.753) 6.955 2.998 ( 1.416 -1.549 -0.664) 2.202 3.193 ( 0.619 -8.523 -0.058) 8.545 3.329 ( 2.232 -6.041 0.251) 6.445 3.377 ( 5.014 -3.434 2.145) 6.444 3.407 ( -5.356 -2.527 1.780) 6.184 3.749 ( 4.212 -1.069 -0.330) 4.358 3.838 ( -5.699 -5.331 -3.952) 8.747 3.945 ( -1.827 -5.528 -1.510) 6.015 4.087 ( 6.710 7.707 -7.023) 12.400 4.188 ( -3.930 3.588 1.349) 5.490 4.521 ( -1.984 1.105 1.000) 2.481 4.665 ( 2.801 1.475 2.715) 4.171 4.830 ( -0.052 2.694 1.236) 2.964 4.990 ( 0.054 0.593 2.840) 2.902 5.048 ( -4.253 10.944 2.381) 11.980 5.107 ( -4.360 3.695 1.907) 6.024 5.362 ( 0.733 -0.186 -0.693) 1.026 5.428 ( 1.849 -3.122 -2.019) 4.152 5.531 ( 4.909 -0.170 3.929) 6.290 5.771 ( -6.874 -2.200 1.316) 7.336 5.916 ( -3.393 1.462 -0.317) 3.708 5.994 ( 3.101 0.390 0.130) 3.128 6.129 ( 5.790 -2.423 -0.449) 6.293 6.280 ( 1.321 -4.192 1.274) 4.576 7.627 ( -1.008 14.017 -5.620) 15.135 8.281 ( -0.501 21.742 2.504) 21.891 9.155 ( 7.081 -3.374 -0.086) 7.844 9.535 ( -0.490 15.272 -0.337) 15.284 10.003 ( 0.829 3.253 -0.890) 3.473 10.294 ( 0.738 10.298 -0.463) 10.335 10.464 ( -1.651 -5.003 1.331) 5.434 10.498 ( 0.411 -10.787 2.407) 11.060 10.940 ( -1.657 -0.439 -0.775) 1.881 11.166 ( 2.650 26.689 0.110) 26.820 11.663 ( -0.880 7.736 0.017) 7.785 11.935 ( -10.899 1.833 -0.730) 11.076 12.135 ( 3.383 9.388 1.262) 10.058 12.446 ( 5.358 -4.279 -2.254) 7.218 12.868 ( -1.574 0.838 1.241) 2.172 13.780 ( -3.656 14.520 -4.773) 15.715 14.079 ( 1.297 -15.941 5.676) 16.971 15.263 ( -6.190 -13.930 -0.064) 15.244 15.446 ( -6.856 -13.682 0.136) 15.304 15.705 ( 12.468 -15.619 -0.417) 19.990 19.018 ( -3.205 22.741 2.722) 23.127 19.612 ( 10.975 4.638 -10.265) 15.727 19.655 ( -17.399 2.042 -0.564) 17.527 19.923 ( 5.664 -9.973 0.748) 11.494 24.475 ( 7.217 -1.299 0.623) 7.359 24.521 ( 1.552 0.534 -0.004) 1.641 ======================= Grid point 140 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -13.538 0.000 -4.216) 14.180 0.851 ( 27.430 -0.000 5.171) 27.914 1.214 ( 0.345 -0.000 1.257) 1.303 1.330 ( 16.919 -0.000 7.671) 18.576 2.050 ( 22.157 -0.000 -3.074) 22.369 2.183 ( 1.050 -0.000 -0.446) 1.141 2.419 ( 1.000 -0.000 -6.435) 6.513 2.509 ( 6.987 -0.000 2.874) 7.555 2.646 ( -6.304 0.000 -1.038) 6.389 2.910 ( -12.781 0.000 -4.629) 13.593 3.078 ( 1.614 -0.000 5.259) 5.501 3.228 ( 4.668 -0.000 -0.490) 4.694 3.350 ( -0.694 0.000 0.694) 0.981 3.404 ( 7.618 -0.000 3.087) 8.220 3.493 ( -7.546 0.000 0.965) 7.608 3.675 ( -2.047 0.000 1.930) 2.814 3.835 ( -5.542 0.000 2.076) 5.918 3.870 ( 0.419 -0.000 -2.430) 2.466 3.977 ( -7.948 0.000 -0.316) 7.954 4.119 ( -7.065 0.000 1.708) 7.269 4.321 ( 7.277 -0.000 -9.868) 12.261 4.574 ( -5.102 0.000 1.414) 5.294 4.768 ( -2.820 0.000 6.067) 6.690 4.827 ( 3.388 -0.000 -0.748) 3.470 5.082 ( -3.839 0.000 3.172) 4.980 5.222 ( -5.279 0.000 -3.820) 6.516 5.341 ( 14.440 -0.000 0.179) 14.441 5.560 ( -6.071 0.000 4.442) 7.522 5.704 ( 8.066 -0.000 -0.250) 8.070 5.826 ( 0.117 -0.000 0.406) 0.422 6.027 ( 0.568 -0.000 0.223) 0.610 6.146 ( -3.094 0.000 1.478) 3.428 6.464 ( 0.815 -0.000 -0.084) 0.820 6.502 ( 10.705 -0.000 -4.713) 11.697 6.646 ( -5.538 0.000 -1.418) 5.716 7.385 ( -0.193 0.000 1.428) 1.441 8.891 ( 0.459 -0.000 -0.009) 0.459 9.437 ( -3.115 0.000 -0.096) 3.117 9.909 ( 2.719 -0.000 -0.150) 2.723 10.070 ( -1.331 0.000 -0.045) 1.332 10.347 ( -6.622 0.000 -0.699) 6.659 10.524 ( 10.833 -0.000 -0.033) 10.833 10.656 ( -3.012 0.000 -0.372) 3.035 11.201 ( 5.257 -0.000 -2.402) 5.779 11.372 ( -8.389 0.000 0.030) 8.389 11.494 ( -2.973 0.000 -11.485) 11.863 11.514 ( 2.536 -0.000 0.116) 2.539 12.621 ( -3.896 0.000 0.000) 3.896 12.853 ( -10.719 0.000 5.796) 12.186 13.403 ( 8.206 -0.000 -4.481) 9.349 14.756 ( 0.527 -0.000 5.073) 5.100 15.435 ( -7.875 0.000 3.962) 8.815 15.710 ( -4.095 0.000 -0.507) 4.126 16.629 ( 7.646 -0.000 -0.247) 7.650 18.074 ( 0.447 -0.000 0.448) 0.633 18.123 ( -0.132 0.000 -0.454) 0.473 20.296 ( 12.252 -0.000 -6.890) 14.056 20.708 ( 10.075 -0.000 5.400) 11.431 24.708 ( 6.410 -0.000 1.707) 6.634 25.502 ( -1.947 0.000 -11.106) 11.276 ======================= Grid point 141 (60/141) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 2.360 -3.256 2.008) 4.495 1.058 ( -0.237 -13.094 -4.812) 13.952 1.370 ( 12.276 -14.703 5.689) 19.981 1.570 ( 18.184 -6.586 3.448) 19.645 2.131 ( -0.325 1.166 0.561) 1.334 2.279 ( 9.468 -3.871 -1.775) 10.381 2.500 ( 2.091 -6.703 -5.676) 9.029 2.556 ( -9.982 -4.138 -3.147) 11.255 2.599 ( 3.259 0.131 -0.126) 3.264 2.825 ( -11.207 -2.215 -0.811) 11.452 3.123 ( 1.503 -2.854 4.040) 5.170 3.217 ( -2.783 2.202 -1.502) 3.854 3.354 ( 5.635 0.630 1.371) 5.834 3.447 ( -3.077 -0.224 0.606) 3.144 3.483 ( 11.010 4.161 3.399) 12.251 3.611 ( -2.333 4.312 0.219) 4.907 3.788 ( -1.430 -0.641 1.376) 2.086 3.835 ( 2.193 1.098 0.110) 2.455 3.931 ( -6.854 -1.813 0.817) 7.136 4.176 ( -3.636 -7.409 1.569) 8.401 4.368 ( -1.904 -1.675 -4.012) 4.746 4.528 ( -0.272 2.259 -3.375) 4.070 4.751 ( -2.374 -0.707 4.057) 4.754 4.798 ( 1.628 5.087 0.523) 5.367 5.080 ( -5.199 -2.428 1.836) 6.024 5.165 ( -2.913 0.995 -5.496) 6.299 5.469 ( 8.019 -0.922 -0.243) 8.075 5.484 ( -4.122 2.186 5.718) 7.380 5.672 ( 4.174 3.983 -0.635) 5.804 5.903 ( 0.548 -4.967 0.003) 4.997 6.015 ( -0.604 0.509 4.769) 4.834 6.122 ( 0.719 2.134 -3.169) 3.887 6.401 ( -0.175 5.046 2.563) 5.662 6.507 ( 8.447 6.096 -4.304) 11.272 6.798 ( -3.261 -16.578 -2.229) 17.042 7.517 ( -0.295 -14.096 1.399) 14.168 9.009 ( 0.856 -10.855 0.022) 10.888 9.578 ( -2.254 -16.384 -0.098) 16.538 9.991 ( 1.912 -6.655 -0.142) 6.926 10.074 ( -1.747 -2.985 -0.000) 3.459 10.307 ( -5.538 -1.399 -0.265) 5.718 10.605 ( 0.737 1.865 -0.126) 2.010 10.639 ( 7.357 -1.211 -0.002) 7.456 11.167 ( -5.557 6.533 -3.804) 9.382 11.297 ( 4.312 0.170 -0.169) 4.319 11.513 ( -1.066 -4.940 -2.071) 5.461 11.585 ( -4.442 -5.559 -3.388) 7.881 12.630 ( -2.687 -4.169 -0.212) 4.965 12.749 ( -7.229 2.454 5.607) 9.472 13.429 ( 4.160 2.957 -2.650) 5.750 14.707 ( 4.532 7.537 2.030) 9.026 15.297 ( -7.233 8.091 2.682) 11.179 15.601 ( -2.905 8.854 -0.898) 9.361 16.627 ( 5.704 6.145 -0.118) 8.385 18.210 ( -2.101 -12.472 0.437) 12.655 18.231 ( -1.048 -12.759 -0.756) 12.824 20.357 ( 9.844 3.007 -4.702) 11.317 20.734 ( 7.913 4.963 3.879) 10.114 24.735 ( 5.194 2.256 2.339) 6.127 25.386 ( -0.504 10.160 -7.692) 12.753 ======================= Grid point 142 (61/141) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 10.041 -3.269 -4.876) 11.631 1.348 ( 3.682 -16.423 -0.226) 16.832 1.747 ( 9.441 -3.633 -0.463) 10.127 1.797 ( 13.709 -13.928 4.259) 20.001 2.085 ( -2.004 2.444 -0.382) 3.183 2.336 ( -6.275 -2.516 4.807) 8.295 2.504 ( -9.038 -3.838 0.453) 9.829 2.692 ( 4.193 -8.799 -4.851) 10.887 2.721 ( -0.274 -9.270 -6.237) 11.176 2.823 ( -2.602 -4.301 -1.577) 5.268 3.107 ( -5.387 4.392 -0.843) 7.002 3.161 ( -2.757 0.189 1.458) 3.124 3.307 ( -2.535 12.327 0.865) 12.615 3.357 ( 3.056 6.355 1.251) 7.161 3.485 ( 1.713 -3.297 2.026) 4.232 3.628 ( 5.327 -2.578 -0.055) 5.918 3.823 ( -1.074 -1.307 0.772) 1.859 3.907 ( 5.518 -5.630 0.579) 7.905 3.989 ( 5.514 -6.687 3.740) 9.439 4.221 ( -4.873 -0.359 1.951) 5.261 4.349 ( -9.196 -1.458 1.060) 9.371 4.502 ( 3.168 1.306 -7.307) 8.070 4.674 ( -0.608 7.875 -0.693) 7.929 4.789 ( -2.771 -4.645 3.598) 6.496 5.049 ( -3.739 -0.543 -2.389) 4.470 5.182 ( 1.106 -2.081 -1.675) 2.891 5.381 ( -3.641 3.293 5.933) 7.701 5.499 ( 0.577 1.774 1.733) 2.546 5.727 ( 9.153 -2.019 -1.234) 9.454 5.977 ( -1.352 -3.897 -0.409) 4.145 6.014 ( -0.091 -0.761 3.812) 3.888 6.066 ( 1.680 5.039 -5.393) 7.570 6.300 ( -2.547 4.971 4.076) 6.914 6.444 ( 6.145 7.421 -3.436) 10.229 7.126 ( -1.986 -21.850 -1.394) 21.984 7.838 ( -0.412 -21.229 1.408) 21.280 9.176 ( -1.384 -5.393 0.030) 5.568 9.851 ( 1.371 -10.740 -0.240) 10.829 10.153 ( 5.304 -6.450 -0.477) 8.364 10.229 ( 0.626 -11.635 0.196) 11.653 10.341 ( -6.478 -13.712 0.373) 15.170 10.515 ( -1.800 6.116 0.285) 6.382 10.734 ( 4.323 -2.106 -0.263) 4.816 11.043 ( -2.678 0.894 -2.970) 4.097 11.341 ( 1.886 -1.911 -0.942) 2.845 11.576 ( 0.030 -0.830 0.101) 0.837 11.725 ( -4.518 -16.065 -1.751) 16.780 12.685 ( -1.766 -0.232 3.332) 3.778 12.723 ( -1.387 -7.313 -0.271) 7.448 13.375 ( -0.935 3.718 -1.068) 3.980 14.559 ( 4.954 13.669 0.427) 14.545 15.067 ( -4.317 11.651 1.541) 12.520 15.370 ( -3.127 13.464 -0.636) 13.837 16.502 ( 3.648 12.091 -0.109) 12.629 18.452 ( -1.630 -16.387 0.345) 16.471 18.499 ( -3.999 -18.076 -0.752) 18.528 20.343 ( 7.127 6.138 -2.179) 9.655 20.664 ( 5.456 8.720 1.830) 10.448 24.710 ( 3.113 4.222 2.337) 5.743 25.177 ( 0.930 12.801 -4.882) 13.732 ======================= Grid point 143 (62/141) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 11.770 -9.804 -9.187) 17.861 1.675 ( 9.528 -12.070 0.546) 15.387 1.769 ( 7.864 3.043 -0.131) 8.433 1.978 ( 1.003 2.400 1.372) 2.941 2.134 ( -5.910 -9.445 3.099) 11.565 2.353 ( -5.540 -7.063 1.732) 9.142 2.552 ( -1.829 -6.289 3.895) 7.620 2.813 ( -3.625 0.351 -0.530) 3.680 2.861 ( 1.027 -4.813 -3.130) 5.832 2.913 ( 2.118 -2.466 -4.504) 5.555 2.994 ( 4.275 4.613 -0.873) 6.350 3.057 ( -6.182 3.013 -1.569) 7.054 3.123 ( -7.467 3.821 -2.403) 8.725 3.282 ( 3.641 2.700 2.672) 5.261 3.512 ( -3.351 -0.316 0.979) 3.506 3.723 ( 3.577 -3.409 1.039) 5.049 3.835 ( -0.556 -1.297 0.481) 1.491 4.066 ( 2.434 -3.961 0.583) 4.685 4.093 ( -1.957 3.354 2.276) 4.501 4.176 ( 4.995 1.740 -0.567) 5.320 4.330 ( 0.073 -4.232 4.296) 6.031 4.481 ( -3.369 2.512 -4.429) 6.106 4.598 ( -3.223 -5.580 -0.831) 6.497 4.870 ( -1.662 -6.234 -0.958) 6.523 5.059 ( 2.192 -0.208 -0.335) 2.227 5.225 ( 1.301 -1.543 -0.828) 2.181 5.322 ( -3.038 0.332 6.583) 7.258 5.487 ( 0.931 -0.330 2.915) 3.077 5.794 ( 8.218 3.563 -2.462) 9.289 5.964 ( -1.373 4.443 -5.196) 6.973 6.008 ( -0.172 1.716 3.504) 3.905 6.058 ( -0.080 -3.540 -0.453) 3.569 6.202 ( -4.367 2.339 2.391) 5.501 6.344 ( 2.826 7.334 -2.604) 8.280 7.503 ( -0.588 -20.426 -0.556) 20.442 8.227 ( -0.394 -21.649 1.626) 21.714 9.190 ( -2.412 -0.233 -0.057) 2.424 9.954 ( 3.143 0.574 -0.369) 3.217 10.116 ( -0.090 8.575 -0.162) 8.577 10.330 ( -0.824 8.379 0.354) 8.427 10.521 ( 3.137 -14.456 0.248) 14.795 10.704 ( 0.291 -16.034 -0.647) 16.049 10.796 ( 1.565 -5.492 -0.330) 5.720 11.111 ( -3.369 -9.331 -0.917) 9.963 11.416 ( -1.378 -7.637 -1.623) 7.928 11.579 ( -0.347 -0.235 0.852) 0.949 12.031 ( -0.765 -19.174 -0.167) 19.190 12.741 ( 2.252 -5.875 1.431) 6.453 12.846 ( -0.138 -6.219 -0.594) 6.249 13.328 ( -3.926 -2.299 -0.130) 4.551 14.293 ( 1.912 19.141 -0.258) 19.238 14.852 ( 0.059 9.570 1.154) 9.639 15.114 ( -2.872 11.268 -0.548) 11.641 16.259 ( 1.631 17.390 -0.242) 17.468 18.750 ( -0.104 -17.387 -0.039) 17.387 18.790 ( -3.940 -18.094 -0.280) 18.520 20.247 ( 4.027 9.700 0.034) 10.503 20.519 ( 2.613 10.892 -0.246) 11.204 24.643 ( 1.357 5.025 1.892) 5.538 24.959 ( 0.230 11.926 -3.088) 12.321 ======================= Grid point 144 (63/141) ======================= q-point: (-0.30 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 4.821 -10.619 -8.841) 14.634 1.700 ( -0.329 2.583 1.830) 3.183 1.912 ( 5.285 1.524 0.336) 5.510 2.066 ( 14.024 -8.959 0.452) 16.648 2.136 ( -22.051 -7.039 2.339) 23.265 2.479 ( -2.573 -5.140 1.893) 6.052 2.605 ( 2.577 5.100 -2.012) 6.058 2.692 ( -0.327 0.473 1.136) 1.273 2.787 ( 1.784 13.875 -0.091) 13.989 2.889 ( -1.709 0.092 2.785) 3.269 2.966 ( -2.363 -0.486 1.040) 2.627 3.099 ( -0.065 -3.830 -3.724) 5.343 3.145 ( 4.065 -6.380 -5.646) 9.440 3.320 ( 4.920 -1.900 1.972) 5.631 3.456 ( -5.650 2.178 0.103) 6.056 3.765 ( -3.067 0.946 1.221) 3.434 3.846 ( 2.518 3.329 -0.890) 4.268 3.976 ( -5.192 4.368 0.050) 6.785 4.021 ( 7.274 3.255 1.578) 8.124 4.190 ( -5.063 -0.400 -2.093) 5.494 4.422 ( 3.730 -4.826 2.366) 6.542 4.547 ( 2.097 -7.491 2.134) 8.066 4.725 ( -3.732 -8.724 -0.793) 9.522 4.981 ( -0.082 -6.680 -3.654) 7.614 5.075 ( 5.162 0.862 -3.615) 6.361 5.261 ( 0.895 -0.657 6.002) 6.104 5.310 ( -2.306 -2.051 3.045) 4.335 5.512 ( -1.840 -2.043 3.888) 4.762 5.716 ( 3.767 9.484 -3.717) 10.861 5.842 ( -2.392 8.612 3.366) 9.551 5.972 ( -4.316 -0.332 -2.897) 5.209 6.108 ( -0.824 -1.903 0.410) 2.114 6.153 ( -0.361 1.312 -0.990) 1.683 6.256 ( 3.653 4.681 -0.987) 6.020 7.800 ( -0.313 -12.290 -0.497) 12.304 8.548 ( 0.134 -13.081 1.909) 13.220 9.217 ( 0.051 -4.339 0.067) 4.340 9.907 ( 2.098 5.810 -0.515) 6.199 9.928 ( -1.805 9.301 0.317) 9.480 10.205 ( -0.261 5.058 -0.098) 5.066 10.686 ( -0.970 -2.003 0.008) 2.225 10.830 ( 0.462 -4.563 -1.171) 4.733 10.918 ( -0.137 1.001 -0.155) 1.022 11.284 ( 0.687 -12.571 -0.021) 12.590 11.572 ( 0.601 -2.791 0.505) 2.899 11.626 ( -0.865 -11.101 -0.144) 11.135 12.349 ( 0.263 -16.083 0.274) 16.088 12.855 ( -0.929 -2.092 0.358) 2.317 12.909 ( 0.502 0.600 -0.618) 0.997 13.464 ( 0.305 -16.028 0.400) 16.036 13.947 ( -0.095 18.250 -0.317) 18.253 14.754 ( 0.903 1.555 0.809) 1.972 14.977 ( -0.846 1.171 -0.642) 1.581 15.921 ( 0.141 20.774 -0.588) 20.783 19.046 ( 0.738 -15.103 -0.084) 15.122 19.088 ( -0.821 -17.706 -0.107) 17.726 20.059 ( 1.033 13.677 1.772) 13.830 20.325 ( -0.793 11.669 -2.282) 11.916 24.564 ( 0.904 4.526 1.371) 4.815 24.765 ( -0.987 9.238 -1.896) 9.482 ======================= Grid point 145 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -10.696 -5.135 -8.693) 14.709 1.622 ( -0.966 7.061 5.371) 8.924 1.896 ( -5.133 2.287 5.136) 7.613 2.071 ( -19.898 -8.303 -1.651) 21.624 2.267 ( 6.328 2.100 -1.267) 6.787 2.391 ( 1.379 5.232 -0.644) 5.449 2.602 ( 9.363 2.979 0.909) 9.867 2.640 ( 1.982 5.768 1.130) 6.202 2.726 ( 4.437 -4.884 -3.165) 7.319 2.930 ( 0.541 -2.787 3.002) 4.132 2.969 ( -3.031 -3.398 0.160) 4.556 3.135 ( 2.901 0.924 -1.081) 3.231 3.272 ( 6.284 -1.768 -5.566) 8.579 3.361 ( -1.687 4.684 -0.074) 4.979 3.400 ( 6.730 -1.400 1.558) 7.048 3.690 ( -2.093 1.218 0.555) 2.484 3.753 ( 3.330 6.142 0.363) 6.996 3.893 ( -4.621 1.144 -0.617) 4.800 4.111 ( 4.211 -2.956 3.360) 6.145 4.175 ( -6.977 -4.485 -3.125) 8.863 4.535 ( 4.373 -3.842 2.198) 6.222 4.680 ( 1.366 -3.657 1.412) 4.151 4.780 ( -1.980 -1.764 -0.562) 2.710 5.055 ( -2.690 -0.092 -3.003) 4.033 5.148 ( 6.058 -4.856 -7.167) 10.566 5.273 ( -1.271 -1.109 4.029) 4.368 5.351 ( 0.952 -1.422 4.931) 5.220 5.502 ( -4.709 2.134 2.414) 5.706 5.566 ( -0.015 8.231 0.146) 8.232 5.650 ( -7.087 4.611 4.553) 9.603 5.924 ( -7.691 0.176 -3.923) 8.635 6.128 ( 0.798 -0.449 0.939) 1.312 6.138 ( 4.568 2.665 -1.654) 5.541 6.235 ( 6.221 2.341 0.112) 6.648 7.913 ( -0.259 -0.689 -1.508) 1.678 8.684 ( 2.455 -1.537 1.869) 3.447 9.251 ( 1.178 4.174 0.573) 4.375 9.817 ( -1.408 3.966 -0.531) 4.242 9.886 ( -0.210 -7.602 0.705) 7.638 10.132 ( 0.277 3.210 -0.182) 3.227 10.621 ( -2.556 6.000 -0.304) 6.529 10.778 ( -2.517 10.589 -0.106) 10.885 10.897 ( -0.090 -2.208 -0.858) 2.371 11.527 ( 4.737 -8.590 0.051) 9.810 11.600 ( 1.729 -1.991 2.126) 3.387 11.823 ( -1.618 -10.297 -0.624) 10.442 12.564 ( 0.546 -0.418 0.403) 0.797 12.739 ( -2.632 6.282 0.584) 6.836 12.801 ( -0.141 10.738 -0.999) 10.786 13.721 ( -1.733 2.731 0.097) 3.236 13.843 ( 4.001 -17.596 0.201) 18.046 14.800 ( -4.690 -7.502 0.168) 8.849 15.080 ( 1.945 -11.189 -0.492) 11.367 15.567 ( 1.748 17.259 -1.107) 17.382 19.300 ( 1.817 -12.345 0.615) 12.493 19.385 ( 0.745 -14.079 -0.761) 14.119 19.792 ( 0.696 15.604 3.269) 15.958 20.093 ( -4.715 11.957 -4.538) 13.631 24.508 ( 2.431 2.855 0.950) 3.868 24.622 ( -1.150 5.680 -1.077) 5.894 ======================= Grid point 146 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -22.763 3.086 -6.800) 23.957 1.415 ( 0.157 14.989 7.096) 16.584 1.730 ( -12.944 6.067 6.042) 15.520 2.037 ( -8.522 0.899 -2.820) 9.022 2.311 ( 10.077 -4.873 0.227) 11.196 2.364 ( -1.702 0.924 -0.201) 1.947 2.521 ( 6.353 8.980 2.319) 11.242 2.698 ( 7.699 -0.366 -2.673) 8.158 2.824 ( -1.896 -2.951 -1.815) 3.950 2.928 ( -0.572 0.733 -0.231) 0.958 3.038 ( 3.254 3.593 -2.164) 5.308 3.109 ( 2.343 -3.264 -0.011) 4.018 3.293 ( -0.423 0.310 -1.003) 1.132 3.361 ( 8.544 -0.705 -5.101) 9.976 3.433 ( 5.826 3.413 5.917) 8.978 3.739 ( 2.535 -3.855 -2.388) 5.195 3.747 ( 2.865 -2.635 1.897) 4.330 3.847 ( -4.738 -0.909 -1.928) 5.196 4.152 ( -0.191 -0.631 3.585) 3.645 4.191 ( -7.157 -2.024 -2.286) 7.781 4.587 ( 1.837 4.663 -5.448) 7.402 4.677 ( 1.866 -1.211 4.869) 5.354 4.842 ( 1.777 -1.938 1.847) 3.213 4.990 ( -4.058 1.324 -2.981) 5.206 5.148 ( -8.022 9.697 4.062) 13.224 5.258 ( -1.706 9.943 1.322) 10.174 5.313 ( 3.873 -5.907 -4.295) 8.267 5.431 ( -0.074 1.063 -0.744) 1.300 5.520 ( 2.346 -3.209 7.112) 8.148 5.633 ( -7.308 -4.954 1.374) 8.935 5.874 ( -5.883 -1.071 -2.281) 6.400 6.087 ( 3.139 4.421 0.908) 5.498 6.172 ( 6.041 0.277 -1.074) 6.142 6.262 ( 4.982 -0.199 0.923) 5.071 7.831 ( -0.634 9.063 -3.241) 9.646 8.609 ( 1.528 13.340 2.193) 13.605 9.192 ( 7.107 1.374 0.115) 7.239 9.712 ( -3.509 6.536 -0.508) 7.436 10.047 ( -0.391 -1.023 -0.772) 1.340 10.175 ( 0.537 -13.852 2.071) 14.017 10.486 ( 0.767 8.014 -0.147) 8.052 10.563 ( -0.985 9.850 -0.125) 9.900 10.915 ( -1.296 -0.713 -0.577) 1.588 11.521 ( 3.516 9.173 0.494) 9.837 11.722 ( -0.062 -3.454 1.710) 3.855 11.910 ( -7.557 1.461 -1.012) 7.763 12.302 ( 4.998 12.575 2.013) 13.681 12.552 ( -2.417 13.013 -1.362) 13.306 12.830 ( 0.678 -5.075 0.236) 5.125 13.752 ( 0.754 -6.286 1.106) 6.427 14.043 ( -1.975 -0.462 -1.526) 2.538 14.926 ( -10.637 -13.696 -0.077) 17.342 15.236 ( -4.287 -5.287 0.031) 6.806 15.550 ( 13.135 -11.113 -1.117) 17.242 19.340 ( -6.848 16.256 1.415) 17.696 19.502 ( 0.075 -7.595 1.571) 7.756 19.760 ( 5.175 -3.657 -0.341) 6.346 19.850 ( -0.817 5.525 -5.557) 7.879 24.512 ( 4.879 0.224 -0.245) 4.890 24.553 ( 1.694 1.491 0.275) 2.273 ======================= Grid point 151 (66/141) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -9.384 0.000 -6.049) 11.165 1.091 ( -9.576 0.000 9.441) 13.448 1.312 ( 29.550 -0.000 0.471) 29.554 1.697 ( 23.405 -0.000 1.296) 23.441 2.133 ( -1.494 0.000 1.048) 1.825 2.330 ( 8.640 -0.000 -1.806) 8.826 2.425 ( -13.235 0.000 -0.688) 13.253 2.450 ( -0.379 0.000 -4.469) 4.485 2.638 ( 0.903 -0.000 0.929) 1.295 2.666 ( -13.803 0.000 -6.706) 15.346 3.109 ( 0.664 -0.000 6.600) 6.633 3.235 ( -0.440 0.000 -1.982) 2.031 3.401 ( 6.044 -0.000 1.205) 6.163 3.405 ( -2.851 0.000 -1.057) 3.040 3.623 ( -2.667 0.000 0.558) 2.725 3.644 ( 13.984 -0.000 4.361) 14.648 3.803 ( 2.524 -0.000 1.675) 3.029 3.837 ( -7.872 0.000 -0.499) 7.888 3.898 ( 3.477 -0.000 -0.541) 3.519 4.054 ( -2.210 0.000 2.614) 3.423 4.304 ( -9.365 0.000 0.885) 9.407 4.562 ( 2.331 -0.000 -5.085) 5.594 4.718 ( -3.857 0.000 3.779) 5.400 4.875 ( 2.431 -0.000 -0.939) 2.606 5.008 ( -3.411 0.000 -1.036) 3.565 5.156 ( -1.438 0.000 -6.488) 6.645 5.470 ( -5.563 0.000 5.926) 8.128 5.520 ( 7.657 -0.000 0.206) 7.660 5.769 ( -6.074 0.000 0.193) 6.077 5.809 ( 4.905 -0.000 -0.210) 4.910 6.001 ( -2.438 0.000 6.156) 6.621 6.167 ( 3.930 -0.000 -3.927) 5.556 6.472 ( -0.039 0.000 1.962) 1.963 6.575 ( -3.105 0.000 -1.722) 3.550 6.655 ( 7.786 -0.000 -4.303) 8.896 7.381 ( -0.182 0.000 1.584) 1.594 8.901 ( 0.637 -0.000 0.035) 0.638 9.386 ( -2.865 0.000 -0.082) 2.867 9.944 ( 1.600 -0.000 -0.149) 1.606 10.055 ( -0.573 0.000 -0.053) 0.576 10.243 ( -5.464 0.000 -0.064) 5.465 10.622 ( -1.371 0.000 -0.062) 1.372 10.707 ( 11.497 -0.000 -0.029) 11.497 11.218 ( -10.191 0.000 0.026) 10.191 11.269 ( 3.729 -0.000 -2.022) 4.242 11.432 ( -4.108 0.000 -7.066) 8.174 11.555 ( 2.163 -0.000 0.103) 2.165 12.567 ( -2.622 0.000 -0.002) 2.622 12.709 ( -7.441 0.000 5.369) 9.176 13.499 ( 4.169 -0.000 -1.803) 4.542 14.811 ( 4.615 -0.000 0.737) 4.673 15.314 ( -6.568 0.000 3.318) 7.358 15.673 ( -0.816 0.000 -1.710) 1.895 16.720 ( 3.890 -0.000 0.032) 3.890 18.080 ( 0.244 -0.000 0.418) 0.484 18.122 ( -0.051 0.000 -0.426) 0.429 20.452 ( 7.473 -0.000 -3.987) 8.470 20.831 ( 5.104 -0.000 3.423) 6.146 24.795 ( 4.243 -0.000 3.208) 5.319 25.461 ( -2.579 0.000 -7.930) 8.339 ======================= Grid point 152 (67/141) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.414 -20.072 0.205) 20.123 1.038 ( -2.306 -6.624 1.377) 7.148 1.659 ( 21.852 -11.546 1.758) 24.777 1.886 ( 19.984 -0.276 -0.147) 19.986 2.110 ( -2.885 1.068 0.297) 3.091 2.277 ( -12.297 3.942 2.581) 13.169 2.343 ( -11.993 -3.450 1.851) 12.616 2.540 ( 0.624 -9.343 -1.994) 9.574 2.627 ( 1.116 -2.797 -6.632) 7.283 2.697 ( -2.315 -5.780 -5.077) 8.034 3.119 ( -1.837 -1.124 5.675) 6.070 3.179 ( -0.689 4.909 -2.255) 5.446 3.435 ( 1.911 -2.485 -0.707) 3.214 3.444 ( 2.526 0.694 1.393) 2.967 3.532 ( -3.020 8.023 1.904) 8.781 3.661 ( 5.339 4.662 1.182) 7.186 3.784 ( -4.134 0.090 0.305) 4.146 3.852 ( 4.932 -4.073 0.786) 6.445 3.954 ( 6.493 -3.690 1.692) 7.658 4.139 ( -1.681 -5.824 2.021) 6.390 4.235 ( -9.147 -1.137 2.783) 9.628 4.558 ( 0.576 1.243 -4.884) 5.072 4.692 ( -4.726 -1.594 3.180) 5.916 4.837 ( 2.396 6.308 -1.118) 6.839 5.017 ( 1.144 -0.861 -4.441) 4.666 5.160 ( 1.756 -0.985 -4.538) 4.964 5.399 ( -5.300 2.564 6.633) 8.869 5.548 ( 1.253 2.499 1.626) 3.235 5.730 ( 2.656 -2.491 -1.147) 3.817 5.882 ( -2.629 -3.500 1.279) 4.560 5.990 ( -1.947 -1.097 3.043) 3.775 6.155 ( 2.332 3.835 -4.118) 6.092 6.403 ( -0.039 5.932 3.023) 6.658 6.614 ( 4.876 4.506 -3.925) 7.713 6.761 ( -1.488 -15.040 -0.987) 15.146 7.514 ( -0.005 -14.000 1.431) 14.073 9.021 ( 0.462 -10.564 0.062) 10.574 9.542 ( -1.574 -17.899 -0.096) 17.968 10.013 ( 0.752 -6.859 -0.068) 6.901 10.056 ( -0.600 -2.914 -0.026) 2.975 10.243 ( -2.138 -2.330 -0.080) 3.163 10.588 ( -0.765 2.956 0.144) 3.057 10.780 ( 6.811 1.088 -0.135) 6.898 11.073 ( -4.567 4.758 -1.061) 6.680 11.363 ( 2.666 0.529 -3.462) 4.402 11.445 ( -4.399 -10.518 -2.805) 11.741 11.572 ( 0.919 -0.307 0.177) 0.985 12.597 ( -1.406 -4.911 -0.085) 5.109 12.654 ( -4.920 -0.021 4.018) 6.352 13.477 ( 2.094 5.153 -0.753) 5.613 14.778 ( 2.741 7.162 -0.127) 7.670 15.209 ( -2.513 7.094 2.822) 8.038 15.576 ( -0.469 9.983 -1.457) 10.100 16.688 ( 1.983 6.243 0.068) 6.551 18.187 ( -0.742 -11.152 0.384) 11.183 18.222 ( -0.173 -10.815 -0.501) 10.828 20.473 ( 4.794 3.153 -2.595) 6.297 20.816 ( 2.295 4.806 2.343) 5.818 24.797 ( 2.349 2.775 3.438) 5.003 25.366 ( -1.446 8.096 -6.697) 10.606 ======================= Grid point 153 (68/141) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 5.566 -8.279 -4.080) 10.778 1.363 ( 0.344 -23.685 1.176) 23.716 1.931 ( 3.917 8.440 -1.949) 9.507 1.986 ( 7.079 -8.023 3.484) 11.253 2.032 ( 0.502 1.532 -1.544) 2.233 2.199 ( -6.437 -3.265 2.885) 7.773 2.363 ( -7.630 -9.912 4.471) 13.283 2.693 ( -2.813 -8.347 -2.510) 9.159 2.734 ( -0.120 -6.648 -3.736) 7.627 2.840 ( 6.976 -8.536 -6.685) 12.893 3.087 ( 1.750 4.698 -1.748) 5.310 3.111 ( -3.092 0.284 2.437) 3.947 3.269 ( -0.832 14.956 1.302) 15.035 3.404 ( 0.620 6.347 2.180) 6.739 3.495 ( 1.919 -0.935 -0.173) 2.141 3.668 ( -2.137 -2.569 1.755) 3.774 3.795 ( 0.914 -2.490 0.492) 2.698 3.965 ( -1.071 -5.931 0.297) 6.035 4.073 ( -5.024 -5.429 1.841) 7.622 4.198 ( -3.553 0.050 2.415) 4.296 4.222 ( 5.905 -5.476 2.227) 8.355 4.528 ( 1.133 3.117 -4.814) 5.845 4.686 ( 1.239 9.372 -0.743) 9.482 4.739 ( -1.338 -5.062 0.834) 5.302 5.059 ( 4.166 -1.349 -2.889) 5.246 5.206 ( 2.215 -1.776 -2.072) 3.515 5.323 ( -3.310 1.650 7.188) 8.084 5.502 ( 0.142 2.122 3.152) 3.802 5.830 ( 2.751 -3.692 -3.060) 5.528 5.905 ( -7.439 -3.984 -1.442) 8.560 5.994 ( -1.355 -0.165 1.387) 1.946 6.105 ( 2.794 3.127 -2.833) 5.061 6.271 ( -1.580 7.462 3.691) 8.474 6.514 ( 2.333 8.503 -2.618) 9.198 7.107 ( -0.335 -22.408 -0.665) 22.421 7.837 ( 0.221 -21.080 1.422) 21.129 9.164 ( 0.041 -3.667 0.082) 3.668 9.859 ( 0.014 -13.112 -0.278) 13.115 10.217 ( 0.242 -9.705 -0.394) 9.716 10.244 ( 0.258 -3.310 0.292) 3.333 10.258 ( -0.670 -21.248 0.255) 21.260 10.500 ( -0.050 5.884 0.369) 5.896 10.768 ( -0.418 1.374 -0.889) 1.690 11.032 ( 2.320 -1.097 -0.529) 2.620 11.335 ( -3.648 -0.475 -3.918) 5.374 11.583 ( 1.270 -0.126 0.649) 1.432 11.699 ( 1.290 -17.165 -0.640) 17.226 12.641 ( -3.870 -3.591 1.965) 5.634 12.718 ( 0.657 -7.566 -0.069) 7.595 13.375 ( 1.081 6.359 -0.070) 6.451 14.597 ( -0.801 13.848 -0.454) 13.879 15.047 ( 2.431 10.697 2.290) 11.206 15.342 ( -0.479 14.604 -1.062) 14.651 16.531 ( 0.098 12.234 -0.007) 12.234 18.439 ( 0.004 -16.961 0.195) 16.962 18.468 ( -0.077 -16.000 -0.446) 16.007 20.414 ( 1.691 6.483 -1.036) 6.779 20.702 ( -0.611 8.597 1.021) 8.679 24.740 ( 0.668 4.671 3.076) 5.633 25.172 ( -1.293 11.943 -5.210) 13.094 ======================= Grid point 154 (69/141) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.939 -8.566 -7.384) 11.348 1.723 ( -1.932 -13.842 1.962) 14.114 1.769 ( -13.810 2.148 -0.387) 13.982 1.987 ( 1.033 2.061 2.156) 3.157 2.101 ( 6.882 -0.249 1.225) 6.995 2.275 ( -5.177 -9.988 1.280) 11.322 2.556 ( 2.290 -11.265 3.991) 12.169 2.748 ( -1.817 1.231 -1.398) 2.602 2.854 ( -1.394 -7.027 -5.704) 9.157 2.962 ( -3.678 9.425 -0.820) 10.150 3.032 ( 3.630 4.028 0.523) 5.448 3.067 ( 6.795 0.292 -1.312) 6.927 3.121 ( 9.430 -1.585 -3.622) 10.225 3.320 ( -0.709 1.160 3.164) 3.444 3.490 ( 1.637 2.457 0.295) 2.967 3.706 ( -3.797 -3.372 0.940) 5.164 3.836 ( -2.136 -2.027 0.192) 2.951 4.014 ( -6.989 -2.453 0.264) 7.411 4.055 ( -0.646 3.496 0.853) 3.656 4.194 ( -4.320 -4.183 0.555) 6.039 4.399 ( 6.990 2.218 4.857) 8.796 4.469 ( 2.073 -4.128 -3.587) 5.848 4.609 ( 3.720 -0.580 -0.241) 3.773 4.857 ( 1.513 -7.114 -2.229) 7.607 5.107 ( 2.882 -0.475 -1.905) 3.487 5.255 ( 2.441 -2.277 1.471) 3.647 5.286 ( -1.175 1.186 6.734) 6.938 5.473 ( -2.887 0.510 2.526) 3.870 5.835 ( -5.830 2.747 -1.768) 6.683 5.896 ( -5.434 -1.207 -6.032) 8.208 5.964 ( -1.980 4.457 2.310) 5.397 6.087 ( 1.973 0.265 0.202) 2.001 6.173 ( 0.871 1.959 0.855) 2.308 6.386 ( 2.010 6.622 -1.019) 6.995 7.498 ( -0.048 -20.395 -0.666) 20.406 8.231 ( 0.853 -21.626 1.695) 21.709 9.191 ( 2.574 -0.237 -0.032) 2.585 9.957 ( -2.736 0.330 -0.308) 2.773 10.119 ( 0.467 8.643 -0.111) 8.656 10.323 ( -0.174 8.291 0.231) 8.296 10.515 ( -3.635 -13.816 0.062) 14.286 10.700 ( -0.908 -16.530 -0.671) 16.568 10.794 ( -1.364 -5.236 -0.379) 5.424 11.138 ( 6.023 -8.700 -0.416) 10.590 11.379 ( -2.179 -8.709 -1.853) 9.166 11.596 ( 1.989 -0.065 0.772) 2.135 12.041 ( 1.999 -18.758 -0.009) 18.864 12.706 ( -6.178 -7.186 0.578) 9.494 12.856 ( 0.990 -6.228 -0.213) 6.310 13.339 ( 5.208 -1.987 0.107) 5.575 14.287 ( -2.559 18.884 -0.370) 19.060 14.877 ( 2.660 10.349 1.740) 10.826 15.102 ( 1.522 11.341 -0.908) 11.479 16.260 ( -1.470 17.380 -0.215) 17.443 18.759 ( -0.055 -17.804 0.376) 17.808 18.779 ( 3.883 -17.685 -0.723) 18.120 20.267 ( -1.588 10.025 0.462) 10.161 20.509 ( -3.701 10.962 -0.475) 11.580 24.655 ( 0.136 4.930 2.409) 5.489 24.941 ( -2.456 11.767 -3.718) 12.582 ======================= Grid point 155 (70/141) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -13.629 -4.664 -6.348) 15.742 1.661 ( -12.736 -2.402 -0.952) 12.996 1.801 ( -7.861 -1.602 2.421) 8.380 1.924 ( -2.575 2.521 3.359) 4.926 2.253 ( 5.631 -6.087 0.901) 8.341 2.406 ( -2.350 -6.593 -0.226) 7.003 2.651 ( 2.183 7.014 -3.468) 8.123 2.746 ( 4.965 -4.286 1.864) 6.819 2.804 ( -4.457 0.976 1.241) 4.729 2.866 ( 2.540 4.445 1.179) 5.253 2.992 ( 6.458 2.854 -1.261) 7.173 3.141 ( 4.987 -2.854 -2.217) 6.159 3.247 ( 1.183 -2.345 -1.336) 2.946 3.384 ( 9.191 -3.794 -0.898) 9.984 3.481 ( 7.809 0.981 -0.231) 7.874 3.690 ( -6.245 0.539 0.597) 6.296 3.811 ( -4.298 2.767 -0.058) 5.112 3.954 ( -1.721 -0.313 -1.747) 2.472 4.069 ( -1.977 -1.998 1.715) 3.293 4.126 ( -0.885 6.761 -0.044) 6.819 4.448 ( 1.858 -6.831 1.577) 7.253 4.620 ( 4.065 -5.337 3.555) 7.592 4.708 ( 2.189 -5.580 -1.291) 6.132 4.992 ( 1.880 -5.066 -2.524) 5.964 5.132 ( 1.501 -1.116 -4.906) 5.250 5.258 ( 0.092 0.551 4.853) 4.885 5.330 ( 3.003 -2.789 4.056) 5.766 5.427 ( -7.572 -0.351 2.546) 7.996 5.693 ( -9.402 6.026 0.607) 11.184 5.760 ( -3.150 10.043 0.683) 10.548 5.880 ( -6.171 1.632 -3.889) 7.474 6.115 ( 0.972 -1.241 0.910) 1.820 6.184 ( 3.525 -0.285 -1.603) 3.883 6.332 ( 4.255 2.770 0.144) 5.079 7.793 ( -0.353 -12.218 -0.892) 12.255 8.573 ( 2.685 -14.059 1.993) 14.451 9.253 ( 4.233 -3.104 -0.021) 5.249 9.839 ( -6.186 5.201 -0.109) 8.083 9.977 ( 3.482 9.580 -0.108) 10.194 10.197 ( -0.892 4.726 -0.090) 4.810 10.622 ( -5.584 -2.756 -0.622) 6.258 10.806 ( -10.448 -1.977 -0.241) 10.637 10.857 ( 2.001 -3.177 -0.704) 3.820 11.410 ( 11.966 -9.952 0.593) 15.575 11.598 ( 0.608 -13.213 -0.306) 13.230 11.619 ( 1.729 -1.160 0.504) 2.142 12.366 ( 1.840 -15.657 0.231) 15.767 12.752 ( -10.597 -4.292 0.297) 11.437 12.910 ( -0.271 1.450 -0.488) 1.554 13.558 ( 9.933 -13.148 0.240) 16.480 13.937 ( -1.098 16.042 -0.265) 16.082 14.741 ( -1.897 4.640 0.847) 5.084 15.009 ( 4.222 0.868 -0.622) 4.355 15.908 ( -1.952 19.782 -0.626) 19.888 19.068 ( 2.465 -15.768 0.730) 15.976 19.132 ( 5.706 -16.828 -1.032) 17.799 20.037 ( -3.786 13.067 1.745) 13.715 20.261 ( -6.693 12.065 -2.096) 13.955 24.581 ( 1.130 3.557 1.684) 4.095 24.734 ( -2.957 8.603 -2.363) 9.399 ======================= Grid point 156 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -23.649 -1.248 -5.933) 24.413 1.600 ( -9.689 2.251 0.100) 9.948 1.714 ( -3.382 4.600 5.066) 7.633 1.903 ( -4.619 -2.702 1.353) 5.519 2.305 ( -2.372 -0.657 1.359) 2.811 2.446 ( 6.359 2.523 -2.791) 7.389 2.636 ( -0.224 -3.429 -3.045) 4.592 2.716 ( 2.971 6.307 1.934) 7.235 2.789 ( -0.347 -0.390 0.147) 0.543 2.934 ( 0.218 -6.277 3.128) 7.017 3.018 ( 6.522 0.396 -2.797) 7.107 3.191 ( 4.909 3.193 -0.838) 5.916 3.265 ( -1.451 -1.858 -0.482) 2.407 3.471 ( 9.934 3.752 -3.777) 11.271 3.587 ( 14.261 0.391 -0.340) 14.271 3.662 ( -3.117 -3.761 1.004) 4.987 3.740 ( -0.106 1.204 -0.870) 1.489 3.923 ( 5.128 8.265 1.989) 9.928 4.025 ( -10.980 -6.429 -2.950) 13.061 4.110 ( -4.188 -2.114 2.914) 5.523 4.600 ( 4.585 -6.126 1.087) 7.728 4.678 ( -2.158 0.079 0.676) 2.263 4.821 ( 5.516 -3.391 1.417) 6.628 4.983 ( -5.307 3.260 0.114) 6.230 5.215 ( 0.403 -3.307 -9.270) 9.851 5.247 ( -2.199 0.229 0.835) 2.363 5.360 ( -0.843 2.776 3.119) 4.260 5.400 ( -3.492 -1.843 3.449) 5.243 5.502 ( -7.523 3.154 6.921) 10.698 5.606 ( 2.449 5.101 -0.877) 5.726 5.812 ( -5.720 -0.226 -2.492) 6.243 6.138 ( 1.001 -0.186 1.309) 1.658 6.216 ( 3.854 0.192 -2.213) 4.448 6.328 ( 4.173 1.862 0.639) 4.614 7.908 ( -0.300 -0.765 -1.553) 1.757 8.744 ( 3.976 -1.113 2.121) 4.642 9.287 ( 3.107 2.900 0.101) 4.251 9.773 ( -3.596 2.664 -0.601) 4.515 9.885 ( 0.084 -4.253 0.501) 4.284 10.138 ( 0.313 1.712 -0.055) 1.741 10.564 ( -3.799 2.969 -1.024) 4.929 10.724 ( -3.165 5.498 0.252) 6.348 10.898 ( 0.173 -0.807 -0.449) 0.939 11.622 ( 4.514 -1.587 -0.324) 4.796 11.641 ( 3.555 -3.172 2.489) 5.375 11.794 ( -1.212 -7.788 -0.580) 7.903 12.572 ( 0.115 2.920 0.481) 2.962 12.675 ( -4.039 -0.021 0.546) 4.076 12.800 ( -0.096 7.603 -1.087) 7.681 13.697 ( -1.005 0.132 0.118) 1.020 13.925 ( 5.202 -9.214 0.064) 10.581 14.694 ( -6.823 -3.345 0.119) 7.600 15.119 ( 2.125 -7.084 -0.151) 7.397 15.604 ( 2.308 9.868 -1.245) 10.211 19.344 ( 3.276 -11.268 1.375) 11.815 19.410 ( 1.763 -6.681 -1.179) 7.009 19.797 ( 0.059 7.676 2.294) 8.011 19.987 ( -7.103 11.415 -3.642) 13.929 24.558 ( 3.163 1.046 0.389) 3.354 24.601 ( -1.413 3.880 -0.723) 4.192 ======================= Grid point 162 (72/141) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 3.767 -0.000 -8.485) 9.283 0.960 ( -6.275 0.000 10.821) 12.508 1.749 ( 22.792 -0.000 0.862) 22.808 2.008 ( 9.599 -0.000 3.402) 10.184 2.059 ( -9.944 0.000 0.235) 9.947 2.213 ( -7.727 0.000 2.243) 8.046 2.284 ( -10.266 0.000 -2.954) 10.683 2.421 ( 3.053 -0.000 0.579) 3.108 2.622 ( -2.626 0.000 -3.373) 4.274 2.624 ( 4.151 -0.000 -10.848) 11.615 3.092 ( -2.401 0.000 7.696) 8.061 3.237 ( 0.518 -0.000 -2.621) 2.672 3.404 ( 2.145 -0.000 -1.275) 2.495 3.473 ( 2.326 -0.000 1.503) 2.769 3.559 ( -2.362 0.000 1.844) 2.996 3.768 ( -0.094 0.000 -0.615) 0.623 3.780 ( -2.411 0.000 1.259) 2.720 3.844 ( 0.439 -0.000 1.222) 1.299 3.943 ( -2.588 0.000 -0.059) 2.589 4.035 ( -0.322 0.000 2.851) 2.869 4.195 ( 0.670 -0.000 4.098) 4.152 4.550 ( 0.095 -0.000 -1.656) 1.658 4.659 ( -2.884 0.000 0.220) 2.892 4.896 ( 0.144 -0.000 -0.955) 0.966 5.052 ( 7.283 -0.000 -5.600) 9.187 5.180 ( 4.228 -0.000 -5.563) 6.987 5.390 ( -3.858 0.000 5.869) 7.024 5.577 ( -0.538 0.000 0.112) 0.550 5.694 ( -2.082 0.000 3.423) 4.006 5.850 ( 0.102 -0.000 -0.182) 0.209 5.951 ( -4.305 0.000 2.440) 4.948 6.230 ( 3.658 -0.000 -2.485) 4.422 6.457 ( -1.896 0.000 2.189) 2.896 6.550 ( 0.019 -0.000 -1.849) 1.849 6.732 ( 1.710 -0.000 -3.283) 3.702 7.381 ( 0.147 -0.000 1.681) 1.688 8.907 ( -0.038 0.000 0.046) 0.059 9.360 ( 0.002 -0.000 -0.078) 0.078 9.958 ( 0.030 -0.000 -0.147) 0.150 10.050 ( -0.049 0.000 -0.060) 0.077 10.198 ( 0.186 -0.000 0.047) 0.192 10.610 ( -0.086 0.000 0.063) 0.106 10.828 ( -0.012 0.000 -0.035) 0.037 11.107 ( 0.052 -0.000 0.034) 0.063 11.316 ( 0.962 -0.000 -1.955) 2.179 11.383 ( -0.497 0.000 -5.962) 5.983 11.573 ( -0.015 0.000 0.099) 0.100 12.545 ( -0.001 0.000 -0.003) 0.003 12.612 ( -5.250 0.000 3.929) 6.557 13.543 ( 1.527 -0.000 -0.490) 1.604 14.848 ( -1.200 0.000 -0.476) 1.291 15.274 ( 2.703 -0.000 3.478) 4.404 15.673 ( 0.622 -0.000 -1.685) 1.796 16.753 ( 0.159 -0.000 0.151) 0.219 18.082 ( -0.077 0.000 0.371) 0.379 18.122 ( 0.076 -0.000 -0.380) 0.387 20.529 ( 2.221 -0.000 -2.584) 3.407 20.867 ( -0.495 0.000 2.537) 2.585 24.835 ( 0.616 -0.000 4.021) 4.068 25.427 ( -1.641 0.000 -7.557) 7.734 ======================= Grid point 163 (73/141) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 3.174 -19.549 -0.728) 19.819 1.023 ( 1.317 -12.171 2.777) 12.553 1.863 ( -12.536 -4.129 6.870) 14.880 1.970 ( -12.639 0.591 1.570) 12.750 2.125 ( 8.284 -8.189 -1.622) 11.761 2.170 ( 0.178 1.157 0.707) 1.367 2.202 ( 10.551 5.728 -1.691) 12.124 2.550 ( 1.229 -8.075 -1.194) 8.255 2.615 ( -3.271 -3.599 -4.512) 6.634 2.738 ( 5.322 -7.781 -7.230) 11.881 3.080 ( -2.530 -0.577 5.775) 6.332 3.192 ( 1.729 4.556 -2.128) 5.317 3.431 ( -1.035 1.214 0.314) 1.625 3.499 ( 2.168 4.483 0.929) 5.066 3.504 ( -0.144 0.243 2.027) 2.047 3.650 ( -5.777 4.286 1.016) 7.264 3.785 ( 1.753 0.313 0.317) 1.809 3.845 ( -6.944 -3.351 0.030) 7.710 3.913 ( -5.664 -3.452 2.062) 6.946 4.136 ( -0.048 -5.883 1.999) 6.214 4.225 ( 5.095 -1.154 1.112) 5.341 4.589 ( 4.539 0.499 -3.496) 5.750 4.639 ( -0.043 -1.154 1.469) 1.868 4.860 ( 1.040 4.391 -0.327) 4.525 5.097 ( 5.768 0.738 -4.904) 7.607 5.212 ( 3.545 -0.024 -1.698) 3.931 5.340 ( -0.191 2.842 4.620) 5.428 5.549 ( -0.933 1.714 3.305) 3.838 5.737 ( -1.423 -5.165 -1.372) 5.530 5.821 ( -4.958 0.861 0.298) 5.041 5.949 ( -3.518 -2.732 0.856) 4.536 6.197 ( 3.297 4.285 -1.878) 5.724 6.382 ( -2.911 5.915 2.098) 6.918 6.655 ( -0.275 5.071 -3.164) 5.984 6.750 ( 0.668 -15.830 -0.646) 15.857 7.518 ( 0.351 -14.043 1.486) 14.125 9.020 ( -0.497 -10.599 0.057) 10.611 9.542 ( 1.574 -17.879 -0.096) 17.948 10.014 ( -0.653 -6.983 -0.046) 7.014 10.056 ( 0.534 -2.807 -0.040) 2.858 10.245 ( 2.435 -2.241 -0.041) 3.310 10.586 ( 0.639 2.957 0.150) 3.029 10.778 ( -6.624 1.309 -0.151) 6.754 11.095 ( 6.923 3.651 -0.550) 7.846 11.308 ( -5.857 1.285 -4.216) 7.330 11.478 ( 4.966 -9.688 -2.692) 11.215 11.581 ( 0.474 -1.162 0.122) 1.261 12.566 ( -3.628 -1.294 1.714) 4.216 12.611 ( 0.339 -4.683 1.169) 4.839 13.499 ( 0.718 5.390 -0.269) 5.445 14.763 ( -4.067 7.001 -0.344) 8.104 15.251 ( 7.338 7.138 3.439) 10.800 15.579 ( 0.685 10.598 -1.384) 10.710 16.690 ( -1.715 6.281 0.109) 6.512 18.184 ( 0.334 -11.064 0.268) 11.072 18.225 ( 0.509 -10.855 -0.395) 10.874 20.505 ( -0.772 3.402 -2.253) 4.153 20.809 ( -2.907 4.893 2.500) 6.216 24.808 ( -1.037 2.765 3.969) 4.947 25.341 ( -1.895 7.887 -7.529) 11.067 ======================= Grid point 164 (74/141) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.213 -9.346 -1.525) 9.472 1.367 ( -1.618 -17.950 0.455) 18.029 1.754 ( -12.949 -0.476 0.032) 12.958 1.903 ( -14.747 -5.676 6.713) 17.168 2.135 ( -2.227 1.480 1.117) 2.898 2.227 ( 12.350 2.229 -0.108) 12.550 2.386 ( 9.407 -10.364 -1.455) 14.072 2.668 ( -0.083 -5.498 -1.492) 5.697 2.720 ( -1.844 -8.662 -7.084) 11.340 2.967 ( 7.689 -10.355 -3.703) 13.419 3.046 ( -4.648 1.766 2.845) 5.728 3.144 ( 3.597 2.885 -0.558) 4.645 3.297 ( 3.709 10.662 0.773) 11.315 3.376 ( -2.428 5.313 1.220) 5.967 3.517 ( -2.130 -0.341 2.642) 3.411 3.631 ( -1.713 -1.876 0.017) 2.541 3.772 ( -4.323 -1.895 -0.697) 4.772 3.871 ( -7.899 -5.281 1.432) 9.609 3.983 ( -1.339 -5.752 2.854) 6.559 4.172 ( 2.046 1.703 0.378) 2.689 4.342 ( 3.295 -7.404 -2.313) 8.428 4.561 ( 3.865 4.201 0.471) 5.728 4.674 ( -0.214 1.705 -1.459) 2.254 4.822 ( 8.442 0.532 1.705) 8.629 5.126 ( 3.232 0.230 -3.805) 4.998 5.234 ( 0.132 -1.429 3.697) 3.966 5.312 ( 3.122 1.884 2.088) 4.202 5.503 ( -0.749 3.471 4.371) 5.631 5.752 ( -11.169 -2.236 -0.697) 11.412 5.815 ( -3.392 -2.712 -6.039) 7.438 5.968 ( -2.256 -1.880 1.622) 3.355 6.169 ( 5.172 3.782 -2.044) 6.725 6.236 ( -3.148 5.665 2.756) 7.042 6.510 ( -2.783 7.389 -0.899) 7.946 7.119 ( 1.868 -21.740 -1.525) 21.873 7.845 ( 0.835 -21.297 1.539) 21.369 9.178 ( 1.476 -5.511 0.059) 5.705 9.851 ( -1.304 -10.987 -0.231) 11.067 10.150 ( -5.741 -6.273 -0.528) 8.520 10.232 ( -0.175 -12.293 0.210) 12.296 10.338 ( 6.551 -12.039 0.344) 13.711 10.514 ( 1.623 5.957 0.287) 6.181 10.732 ( -3.493 -1.948 -0.299) 4.011 11.079 ( 0.185 0.833 -3.137) 3.251 11.279 ( 0.452 -2.754 -0.942) 2.945 11.593 ( -0.375 -1.979 0.088) 2.016 11.762 ( 6.216 -14.657 -1.418) 15.983 12.569 ( -5.097 -3.276 1.164) 6.169 12.737 ( 1.575 -7.431 0.281) 7.601 13.407 ( 2.810 4.456 -0.337) 5.279 14.544 ( -4.824 13.381 0.116) 14.224 15.133 ( 7.310 12.777 2.964) 15.016 15.354 ( 2.114 14.095 -1.154) 14.299 16.505 ( -3.501 12.150 -0.055) 12.645 18.451 ( 1.499 -16.981 0.321) 17.050 18.497 ( 3.774 -17.402 -0.790) 17.824 20.394 ( -4.155 6.879 -1.597) 8.194 20.652 ( -5.322 9.004 2.022) 10.653 24.732 ( -1.748 4.169 3.378) 5.643 25.131 ( -4.070 12.192 -6.382) 14.350 ======================= Grid point 165 (75/141) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -12.227 -2.239 -2.486) 12.677 1.439 ( -14.968 -5.110 -1.634) 15.900 1.805 ( 2.938 -2.241 1.358) 3.937 1.910 ( -7.110 -2.980 6.608) 10.154 2.130 ( -2.316 -5.593 0.180) 6.056 2.326 ( 8.462 -3.725 -0.439) 9.256 2.611 ( 4.409 -8.005 1.205) 9.218 2.737 ( -0.231 -2.318 -2.315) 3.284 2.842 ( -0.382 -4.375 -4.740) 6.462 2.897 ( -3.081 8.163 -0.823) 8.764 3.122 ( 1.494 -2.203 0.044) 2.663 3.143 ( 5.971 2.802 -0.728) 6.636 3.256 ( -1.379 4.218 -0.467) 4.462 3.353 ( 12.683 -7.832 -1.451) 14.976 3.522 ( 0.280 -1.366 2.653) 2.997 3.629 ( -4.600 -1.783 0.536) 4.962 3.784 ( -2.705 -1.267 -1.904) 3.542 3.890 ( -8.072 -2.968 1.046) 8.663 4.016 ( -3.327 0.000 2.438) 4.125 4.184 ( 3.257 -1.302 -1.171) 3.698 4.472 ( 1.842 0.944 -4.425) 4.885 4.529 ( 5.033 -2.396 5.393) 7.756 4.671 ( 4.267 -2.113 0.994) 4.864 4.936 ( 6.702 -4.549 0.087) 8.101 5.129 ( -0.337 0.385 -3.359) 3.397 5.288 ( 0.852 -3.405 4.486) 5.696 5.300 ( 3.024 2.395 3.290) 5.070 5.412 ( -3.354 3.876 1.872) 5.457 5.673 ( -11.939 1.206 -0.445) 12.008 5.794 ( -7.133 0.637 -4.118) 8.261 5.936 ( -2.463 4.848 0.236) 5.443 6.109 ( 0.479 1.143 0.369) 1.293 6.210 ( 2.940 0.408 -0.882) 3.097 6.394 ( -1.180 3.174 0.686) 3.455 7.505 ( 1.126 -19.333 -1.765) 19.446 8.252 ( 1.662 -22.228 1.843) 22.366 9.262 ( 5.813 -1.777 -0.084) 6.079 9.873 ( -7.841 3.308 -0.252) 8.514 10.115 ( -1.353 2.851 -0.735) 3.240 10.322 ( 0.120 7.491 0.815) 7.536 10.451 ( -3.162 -8.157 -0.160) 8.750 10.635 ( -6.705 -7.758 -0.696) 10.278 10.802 ( 1.979 -5.413 -0.487) 5.784 11.220 ( 1.935 -19.478 -1.908) 19.667 11.408 ( 7.464 -6.682 0.985) 10.067 11.629 ( 2.075 -1.396 0.458) 2.543 12.092 ( 4.273 -16.825 -0.587) 17.369 12.579 ( -9.188 -3.399 0.582) 9.814 12.867 ( 0.483 -5.395 -0.016) 5.417 13.468 ( 10.189 -6.830 -0.749) 12.289 14.223 ( -4.996 17.503 0.381) 18.206 14.927 ( 3.510 14.178 1.638) 14.697 15.160 ( 5.373 10.528 -0.608) 11.835 16.210 ( -4.928 16.840 -0.343) 17.549 18.786 ( 3.306 -18.146 0.954) 18.470 18.873 ( 7.948 -18.636 -1.693) 20.331 20.198 ( -7.006 9.973 -0.633) 12.204 20.415 ( -7.644 11.557 0.929) 13.887 24.647 ( -1.231 3.686 2.507) 4.625 24.875 ( -5.944 11.108 -4.407) 13.347 ======================= Grid point 166 (76/141) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -18.980 0.068 -4.209) 19.441 1.465 ( -4.617 -5.194 -2.049) 7.245 1.823 ( 1.962 1.523 1.629) 2.971 1.855 ( -3.415 2.290 7.027) 8.142 2.233 ( -3.072 -5.147 -0.191) 5.997 2.455 ( 3.939 -4.180 -1.560) 5.951 2.662 ( -1.339 3.416 -1.218) 3.866 2.757 ( 0.060 -0.317 -1.107) 1.154 2.822 ( 4.150 1.148 -0.362) 4.321 2.854 ( -2.180 -0.888 2.177) 3.206 3.104 ( 3.446 5.142 -0.811) 6.243 3.208 ( -2.701 -1.716 -2.591) 4.117 3.229 ( 3.871 -5.311 -0.882) 6.631 3.579 ( 8.762 -3.888 -0.886) 9.627 3.607 ( 5.391 -4.738 -0.092) 7.178 3.625 ( 2.093 -0.307 -0.030) 2.116 3.753 ( -3.555 0.918 -0.840) 3.767 3.860 ( -5.256 -1.519 -2.104) 5.862 3.997 ( -6.855 -2.054 1.890) 7.401 4.160 ( 3.292 8.129 1.356) 8.875 4.509 ( 4.785 -5.709 -0.475) 7.465 4.629 ( -0.286 -3.579 1.703) 3.974 4.786 ( 4.851 -4.955 2.389) 7.334 5.020 ( 0.115 1.130 -1.242) 1.683 5.149 ( 2.396 -3.827 -2.327) 5.080 5.234 ( -4.167 3.130 1.845) 5.529 5.344 ( 0.064 -2.041 2.994) 3.624 5.383 ( 1.779 -0.150 0.757) 1.940 5.529 ( -8.100 4.860 2.043) 9.665 5.697 ( -5.546 3.491 -0.475) 6.571 5.811 ( -1.826 4.959 -1.649) 5.535 6.127 ( 0.493 -1.446 1.047) 1.852 6.231 ( 1.685 -0.514 -2.398) 2.975 6.363 ( -0.706 0.425 1.051) 1.336 7.793 ( 0.391 -11.667 -1.709) 11.798 8.618 ( 2.457 -15.623 2.185) 15.965 9.332 ( 4.380 0.005 -0.217) 4.385 9.727 ( -7.117 1.825 -0.267) 7.352 10.028 ( 3.023 9.869 -0.043) 10.322 10.172 ( -2.296 4.447 0.062) 5.005 10.546 ( -3.255 -1.983 -0.883) 3.912 10.650 ( -8.411 -6.422 -0.046) 10.583 10.881 ( 0.994 -1.945 -0.454) 2.231 11.570 ( 0.342 -7.907 0.339) 7.922 11.618 ( 10.119 -10.804 0.356) 14.807 11.678 ( 4.190 -2.726 0.601) 5.035 12.406 ( 3.159 -14.777 0.021) 15.111 12.564 ( -12.052 -5.923 0.352) 13.434 12.902 ( -0.811 2.309 -0.338) 2.470 13.722 ( 8.923 -4.609 0.163) 10.044 13.924 ( 0.366 7.536 -0.374) 7.554 14.722 ( 0.312 9.560 0.597) 9.584 15.087 ( 5.114 1.693 -0.310) 5.396 15.853 ( -5.253 17.462 -0.811) 18.253 19.133 ( 5.722 -16.303 1.477) 17.341 19.247 ( 8.335 -14.780 -1.972) 17.082 19.945 ( -7.583 10.985 0.033) 13.348 20.135 ( -8.308 12.088 -0.290) 14.671 24.594 ( 0.335 1.511 1.478) 2.140 24.669 ( -5.227 6.613 -2.408) 8.766 ======================= Grid point 173 (77/141) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 11.750 -0.000 -8.126) 14.286 0.915 ( 0.619 -0.000 8.987) 9.009 1.676 ( -22.302 0.000 9.504) 24.243 1.795 ( -23.961 0.000 4.925) 24.462 2.157 ( 2.718 -0.000 1.199) 2.970 2.199 ( 15.630 -0.000 -4.950) 16.396 2.422 ( 15.677 -0.000 -6.718) 17.056 2.425 ( -5.102 0.000 -2.243) 5.573 2.565 ( -2.890 0.000 -0.231) 2.899 2.685 ( 2.687 -0.000 -5.902) 6.485 3.063 ( -0.343 0.000 5.632) 5.643 3.241 ( -0.396 0.000 -1.894) 1.935 3.456 ( 4.063 -0.000 0.400) 4.082 3.471 ( -2.720 0.000 2.102) 3.438 3.515 ( -12.049 0.000 1.705) 12.169 3.620 ( -5.077 0.000 0.753) 5.132 3.778 ( -5.634 0.000 1.149) 5.750 3.837 ( 8.264 -0.000 -0.566) 8.283 3.893 ( -1.872 0.000 0.029) 1.872 4.046 ( 1.842 -0.000 2.530) 3.130 4.242 ( 1.858 -0.000 -1.583) 2.441 4.635 ( 4.856 -0.000 -2.603) 5.510 4.664 ( 6.700 -0.000 2.146) 7.035 4.879 ( -2.272 0.000 -0.865) 2.431 5.148 ( 4.393 -0.000 -3.763) 5.784 5.236 ( 1.045 -0.000 2.950) 3.130 5.413 ( 7.610 -0.000 0.904) 7.664 5.504 ( -8.564 0.000 -0.134) 8.566 5.720 ( 5.308 -0.000 1.557) 5.532 5.812 ( -4.745 0.000 -0.142) 4.747 5.861 ( -6.858 0.000 0.780) 6.902 6.266 ( 0.026 -0.000 1.414) 1.414 6.430 ( -0.384 0.000 -1.274) 1.330 6.575 ( 3.125 -0.000 -1.708) 3.561 6.705 ( -4.870 0.000 -1.933) 5.240 7.386 ( 0.393 -0.000 1.668) 1.714 8.900 ( -0.707 0.000 0.011) 0.707 9.386 ( 2.887 -0.000 -0.079) 2.888 9.945 ( -1.546 0.000 -0.131) 1.552 10.054 ( 0.477 -0.000 -0.085) 0.484 10.250 ( 6.099 -0.000 0.086) 6.100 10.621 ( 1.657 -0.000 0.025) 1.657 10.707 ( -11.446 0.000 -0.024) 11.446 11.219 ( 10.205 -0.000 0.045) 10.206 11.283 ( -3.465 0.000 -1.784) 3.897 11.433 ( 5.180 -0.000 -8.163) 9.668 11.555 ( -2.187 0.000 0.095) 2.189 12.534 ( -4.910 0.000 3.233) 5.878 12.567 ( 2.626 -0.000 -0.002) 2.626 13.549 ( -0.883 0.000 -0.633) 1.087 14.789 ( -4.594 0.000 0.255) 4.601 15.391 ( 10.814 -0.000 4.287) 11.632 15.688 ( 1.202 -0.000 -1.233) 1.722 16.726 ( -3.540 0.000 0.130) 3.542 18.078 ( -0.343 0.000 0.340) 0.483 18.124 ( 0.148 -0.000 -0.349) 0.379 20.519 ( -3.558 0.000 -3.473) 4.972 20.827 ( -3.938 0.000 4.140) 5.714 24.818 ( -2.756 0.000 4.345) 5.145 25.400 ( -2.057 0.000 -9.821) 10.034 ======================= Grid point 174 (78/141) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 5.906 -11.666 -1.513) 13.163 1.087 ( 5.942 -15.156 1.447) 16.343 1.542 ( -21.600 -5.151 7.273) 23.366 1.644 ( -23.739 -5.113 6.137) 25.047 2.147 ( -1.315 0.845 0.966) 1.838 2.341 ( 7.202 -0.295 -1.470) 7.357 2.401 ( 8.519 -3.132 -5.322) 10.522 2.508 ( -4.865 -4.184 -3.934) 7.527 2.612 ( 5.398 -3.278 -2.945) 6.968 2.810 ( 3.297 -10.719 -1.269) 11.286 3.054 ( -0.899 1.900 3.334) 3.941 3.201 ( -4.392 2.300 -1.192) 5.099 3.393 ( -7.093 0.888 1.456) 7.295 3.423 ( -2.889 1.141 0.773) 3.201 3.499 ( -0.359 0.717 2.251) 2.389 3.612 ( 0.514 1.113 0.619) 1.373 3.741 ( 1.220 0.781 -0.146) 1.456 3.798 ( -1.470 2.815 0.586) 3.229 3.947 ( 7.111 -1.954 0.808) 7.419 4.160 ( 3.866 -6.546 1.168) 7.691 4.258 ( -1.071 -1.683 -4.880) 5.272 4.647 ( 3.833 1.991 1.093) 4.455 4.706 ( 4.074 1.529 -0.697) 4.407 4.877 ( 1.053 -1.012 2.086) 2.547 5.170 ( 3.773 1.230 -5.535) 6.811 5.219 ( -0.942 0.912 7.208) 7.326 5.421 ( 5.866 3.944 -0.927) 7.129 5.482 ( -6.293 -3.077 2.534) 7.450 5.691 ( -6.368 4.396 2.548) 8.147 5.770 ( 0.309 -0.344 -5.417) 5.437 5.887 ( -2.886 -4.586 1.036) 5.516 6.237 ( -0.561 1.371 1.891) 2.402 6.338 ( -0.267 7.529 -1.038) 7.605 6.594 ( -6.446 5.839 -0.995) 8.754 6.795 ( 4.563 -16.593 -2.174) 17.346 7.525 ( 0.516 -14.256 1.546) 14.349 9.008 ( -0.876 -10.961 0.008) 10.996 9.578 ( 2.213 -16.300 -0.106) 16.450 9.993 ( -1.910 -6.707 -0.110) 6.974 10.072 ( 1.614 -2.888 -0.056) 3.309 10.319 ( 6.574 -1.264 0.020) 6.694 10.600 ( -1.591 1.825 -0.167) 2.427 10.651 ( -5.403 -1.293 0.385) 5.569 11.169 ( -2.658 8.465 -5.880) 10.644 11.276 ( 5.656 -0.121 1.125) 5.768 11.516 ( -0.418 -4.179 -1.574) 4.486 11.628 ( 5.788 -8.175 -4.441) 10.957 12.496 ( -5.019 -0.724 2.235) 5.542 12.640 ( 2.816 -4.930 0.455) 5.696 13.496 ( -1.360 3.893 -0.994) 4.242 14.694 ( -3.153 7.230 1.333) 8.000 15.407 ( 11.367 8.664 4.718) 15.052 15.595 ( 1.435 10.431 -1.146) 10.592 16.634 ( -5.427 6.310 0.003) 8.323 18.197 ( 1.301 -12.286 -0.059) 12.355 18.240 ( 1.550 -12.658 -0.310) 12.757 20.446 ( -6.691 3.687 -4.102) 8.671 20.743 ( -4.737 5.668 5.143) 9.001 24.769 ( -3.705 2.328 4.054) 5.965 25.291 ( -4.849 9.096 -10.547) 14.747 ======================= Grid point 175 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -6.726 -1.414 -0.838) 6.924 1.257 ( -9.311 -5.208 2.367) 10.928 1.628 ( -17.386 -10.507 7.567) 21.678 1.690 ( 4.012 -18.683 0.825) 19.127 2.112 ( -1.160 1.753 0.131) 2.106 2.366 ( 4.185 0.332 1.303) 4.396 2.555 ( 9.698 -4.675 -3.223) 11.238 2.649 ( -6.800 -14.943 -8.549) 18.510 2.693 ( 2.782 -2.376 -1.526) 3.964 2.951 ( -8.459 3.331 3.635) 9.791 3.055 ( 0.420 -5.188 -2.465) 5.759 3.125 ( -1.107 -3.760 1.527) 4.206 3.360 ( 0.794 5.913 0.115) 5.967 3.398 ( 6.820 0.585 -0.536) 6.866 3.472 ( -2.370 -1.156 1.687) 3.130 3.563 ( -1.550 0.220 0.396) 1.615 3.763 ( -4.345 -0.801 1.558) 4.685 3.792 ( 4.040 -1.184 -0.377) 4.226 4.012 ( 3.367 -0.802 1.735) 3.872 4.215 ( 0.505 1.983 -3.465) 4.024 4.372 ( 5.051 -8.613 -2.827) 10.378 4.635 ( 3.616 2.959 4.150) 6.250 4.689 ( 1.566 1.391 -1.488) 2.570 4.924 ( 2.852 -2.226 4.617) 5.866 5.142 ( -1.629 1.888 -2.409) 3.467 5.242 ( 1.341 -2.280 4.018) 4.811 5.391 ( 4.560 3.603 -1.429) 5.985 5.474 ( -0.563 2.233 4.730) 5.261 5.572 ( -10.549 0.278 -0.803) 10.583 5.749 ( -4.954 0.512 -3.973) 6.371 5.933 ( -1.828 -1.741 -0.175) 2.530 6.166 ( -4.914 4.571 1.688) 6.920 6.255 ( 4.324 2.750 -1.437) 5.322 6.441 ( -4.976 5.067 0.964) 7.167 7.166 ( 4.000 -20.068 -3.077) 20.693 7.862 ( 1.208 -21.810 1.749) 21.913 9.203 ( 1.421 -9.476 -0.011) 9.582 9.795 ( -6.780 -5.986 -0.280) 9.049 10.068 ( -4.071 -3.555 -0.782) 5.461 10.239 ( 1.013 -8.533 0.100) 8.593 10.441 ( 5.733 -9.401 0.383) 11.017 10.548 ( 2.278 5.954 0.259) 6.380 10.663 ( -4.550 -7.271 0.309) 8.582 11.019 ( -4.711 0.767 -5.354) 7.173 11.376 ( 8.602 -4.868 1.577) 10.009 11.591 ( 1.326 -4.246 0.332) 4.460 11.874 ( 7.497 -12.558 -4.106) 15.191 12.480 ( -6.236 -1.757 1.178) 6.585 12.764 ( 1.779 -6.328 0.483) 6.591 13.456 ( 3.035 -1.163 -1.722) 3.678 14.475 ( -3.177 14.742 2.448) 15.278 15.247 ( 6.320 16.286 3.135) 17.748 15.415 ( 5.755 11.931 -0.552) 13.258 16.419 ( -7.329 11.978 -0.246) 14.045 18.488 ( 3.069 -17.818 0.683) 18.094 18.588 ( 7.916 -20.502 -2.024) 22.070 20.285 ( -9.230 7.100 -3.658) 12.206 20.553 ( -6.747 10.426 4.669) 13.267 24.689 ( -3.605 3.085 3.173) 5.708 25.027 ( -9.487 12.629 -8.148) 17.773 ======================= Grid point 176 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -11.443 1.923 -3.294) 12.062 1.343 ( -0.468 -8.112 2.815) 8.599 1.687 ( -10.101 -7.701 6.239) 14.151 1.961 ( 7.853 -0.776 3.528) 8.644 2.113 ( 0.047 -5.561 -2.695) 6.180 2.421 ( 3.376 -2.402 0.500) 4.174 2.676 ( -0.902 1.927 -0.134) 2.131 2.721 ( 0.588 -5.456 -1.248) 5.628 2.835 ( 0.267 -3.194 -4.734) 5.717 2.872 ( -1.643 -2.164 -0.707) 2.807 3.033 ( -8.366 -5.764 -2.195) 10.394 3.187 ( -3.692 1.392 0.337) 3.961 3.256 ( 3.163 6.909 -1.237) 7.698 3.478 ( -3.946 -4.869 2.168) 6.631 3.554 ( 9.167 -6.817 -1.235) 11.490 3.629 ( 4.594 -4.408 -0.022) 6.367 3.737 ( -4.045 -0.619 0.893) 4.189 3.819 ( 1.204 -0.004 -1.338) 1.799 4.004 ( 1.313 4.290 2.323) 5.053 4.204 ( -1.497 -1.869 -4.275) 4.900 4.531 ( 5.733 -0.349 -2.616) 6.311 4.591 ( 2.557 0.259 5.707) 6.259 4.738 ( 3.699 -3.930 1.462) 5.591 4.987 ( -1.697 -3.400 -0.259) 3.809 5.121 ( 0.896 -1.363 1.656) 2.325 5.259 ( -3.891 1.258 6.304) 7.514 5.375 ( 4.453 2.506 -1.379) 5.292 5.413 ( 2.205 2.680 -0.876) 3.579 5.514 ( -5.152 0.124 -1.064) 5.262 5.681 ( -6.431 1.548 0.139) 6.616 5.894 ( -2.312 4.178 -0.886) 4.857 6.097 ( -1.955 -0.957 1.037) 2.411 6.242 ( 0.353 1.185 -2.019) 2.368 6.353 ( -3.486 1.462 1.797) 4.186 7.534 ( 2.545 -17.597 -3.252) 18.075 8.279 ( 1.566 -22.640 2.121) 22.793 9.349 ( 3.928 -3.474 -0.192) 5.248 9.706 ( -12.730 3.021 -0.578) 13.096 10.079 ( -2.680 -1.403 -0.958) 3.173 10.336 ( 1.712 3.089 1.812) 3.969 10.413 ( -2.521 0.309 -0.635) 2.618 10.534 ( -4.447 -0.842 -0.347) 4.539 10.839 ( 2.575 -5.160 -0.473) 5.786 11.218 ( -1.150 -24.411 -1.563) 24.488 11.562 ( 8.667 -7.462 1.046) 11.484 11.681 ( 6.329 -2.153 1.250) 6.801 12.170 ( 5.418 -14.512 -1.795) 15.594 12.428 ( -9.605 0.532 0.803) 9.653 12.874 ( 0.486 -4.306 0.158) 4.336 13.639 ( 10.726 -12.207 -2.240) 16.403 14.140 ( -5.276 17.592 2.093) 18.485 14.996 ( 5.555 16.388 1.139) 17.341 15.255 ( 6.253 10.978 -0.058) 12.634 16.101 ( -8.989 16.144 -0.570) 18.487 18.860 ( 5.750 -19.436 1.766) 20.346 19.028 ( 11.404 -18.753 -3.447) 22.217 20.056 ( -10.251 9.516 -2.599) 14.226 20.285 ( -8.403 12.233 3.030) 15.148 24.617 ( -2.541 1.948 2.038) 3.795 24.747 ( -10.144 8.874 -4.465) 14.198 ======================= Grid point 184 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 12.113 -0.000 -6.896) 13.939 0.973 ( 5.914 -0.000 4.337) 7.334 1.309 ( -22.883 0.000 12.949) 26.293 1.395 ( -25.860 0.000 4.936) 26.327 2.130 ( -8.827 0.000 -2.950) 9.307 2.188 ( -18.798 0.000 0.598) 18.807 2.428 ( 7.893 -0.000 -1.498) 8.034 2.587 ( 5.040 -0.000 0.838) 5.109 2.634 ( 9.505 -0.000 -3.934) 10.287 2.702 ( 0.822 -0.000 -3.507) 3.602 3.102 ( 4.901 -0.000 2.729) 5.610 3.124 ( -15.408 0.000 -0.630) 15.421 3.331 ( -2.632 0.000 -1.028) 2.825 3.436 ( 0.320 -0.000 1.027) 1.076 3.529 ( 5.129 -0.000 1.718) 5.409 3.626 ( 0.600 -0.000 1.423) 1.545 3.772 ( 4.966 -0.000 -0.027) 4.966 3.879 ( -0.114 0.000 -0.683) 0.693 3.995 ( 9.653 -0.000 -0.139) 9.654 4.107 ( 6.938 -0.000 1.641) 7.129 4.235 ( -1.809 0.000 -6.642) 6.884 4.680 ( 0.962 -0.000 1.988) 2.209 4.785 ( 5.911 -0.000 1.784) 6.175 4.829 ( -3.687 0.000 -0.690) 3.751 5.207 ( 3.882 -0.000 1.551) 4.180 5.256 ( 2.042 -0.000 3.687) 4.215 5.313 ( -15.019 0.000 -0.413) 15.024 5.551 ( 7.898 -0.000 2.754) 8.364 5.709 ( -7.926 0.000 -0.131) 7.927 5.738 ( -6.493 0.000 -1.874) 6.758 5.851 ( 8.644 -0.000 -1.666) 8.803 6.226 ( -4.072 0.000 2.729) 4.902 6.447 ( -0.020 0.000 -3.690) 3.690 6.608 ( -4.536 0.000 0.099) 4.537 6.645 ( 5.516 -0.000 -1.412) 5.694 7.392 ( 0.236 -0.000 1.559) 1.577 8.889 ( -0.500 0.000 -0.052) 0.502 9.437 ( 3.151 -0.000 -0.084) 3.152 9.911 ( -2.695 0.000 -0.120) 2.698 10.067 ( 1.258 -0.000 -0.105) 1.262 10.370 ( 8.099 -0.000 -0.124) 8.100 10.525 ( -10.772 0.000 -0.009) 10.772 10.670 ( 4.821 -0.000 0.182) 4.825 11.222 ( -4.282 0.000 -2.446) 4.931 11.373 ( 8.348 -0.000 0.045) 8.348 11.511 ( 3.572 -0.000 -15.245) 15.658 11.513 ( -2.530 0.000 0.104) 2.532 12.450 ( -5.736 0.000 3.963) 6.972 12.621 ( 3.908 -0.000 0.003) 3.908 13.504 ( -5.175 0.000 -1.792) 5.476 14.754 ( 1.696 -0.000 3.378) 3.780 15.589 ( 13.626 -0.000 5.898) 14.848 15.711 ( 1.684 -0.000 -0.142) 1.690 16.641 ( -7.023 0.000 -0.013) 7.023 18.072 ( -0.458 0.000 0.348) 0.575 18.126 ( 0.142 -0.000 -0.355) 0.383 20.416 ( -9.024 0.000 -5.850) 10.755 20.769 ( -2.695 0.000 7.556) 8.023 24.755 ( -4.973 0.000 4.150) 6.477 25.339 ( -6.307 0.000 -15.532) 16.763 ======================= Grid point 185 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 4.368 -1.694 -4.305) 6.362 1.103 ( -10.799 -2.791 8.597) 14.082 1.275 ( -20.966 -10.756 8.527) 25.059 1.316 ( 0.414 -22.476 1.158) 22.510 2.075 ( -19.340 -10.179 -4.386) 22.291 2.149 ( -10.988 -5.781 3.533) 12.909 2.455 ( -2.732 -1.127 2.063) 3.604 2.599 ( 8.309 -0.117 -3.212) 8.909 2.721 ( 6.777 -0.684 -5.947) 9.043 2.858 ( 3.761 -12.196 1.221) 12.821 2.981 ( -8.983 3.171 0.381) 9.534 3.096 ( -0.681 3.037 0.076) 3.113 3.394 ( 2.860 -6.341 -2.098) 7.265 3.427 ( 3.318 2.530 -0.089) 4.173 3.521 ( 3.082 5.691 1.758) 6.707 3.620 ( 1.365 2.045 1.038) 2.669 3.789 ( 1.958 5.196 0.925) 5.629 3.832 ( 6.154 0.469 -0.372) 6.184 4.046 ( 5.095 0.762 0.076) 5.152 4.226 ( -2.022 -0.180 -6.615) 6.919 4.281 ( 10.821 -8.218 0.660) 13.604 4.678 ( -1.055 0.120 3.951) 4.091 4.734 ( 0.394 3.333 -1.287) 3.595 4.882 ( -1.038 -2.982 2.826) 4.237 5.150 ( -9.079 2.393 -1.485) 9.505 5.240 ( 3.291 0.126 5.665) 6.553 5.334 ( -4.049 -5.034 1.243) 6.579 5.569 ( 6.625 4.120 1.101) 7.879 5.573 ( -6.605 3.916 1.183) 7.769 5.726 ( -4.497 -0.022 -0.341) 4.510 5.910 ( 3.523 0.075 -3.638) 5.065 6.177 ( -4.642 1.984 1.556) 5.283 6.355 ( -2.014 5.090 -2.121) 5.870 6.509 ( -1.111 6.320 1.529) 6.596 6.883 ( 6.428 -15.767 -2.958) 17.283 7.533 ( 0.514 -14.784 1.604) 14.879 8.996 ( -0.593 -11.046 -0.053) 11.062 9.589 ( -1.270 -11.158 -0.159) 11.231 9.956 ( -2.617 -6.396 -0.242) 6.915 10.114 ( 3.657 -5.038 -0.023) 6.225 10.416 ( 0.934 0.331 -0.976) 1.390 10.480 ( -5.173 -3.185 0.259) 6.081 10.695 ( 6.300 2.707 0.747) 6.898 11.085 ( -6.121 8.725 -7.127) 12.821 11.368 ( 2.629 -0.571 -0.251) 2.702 11.529 ( 3.967 -4.136 0.092) 5.732 11.717 ( 4.247 -12.649 -12.945) 18.590 12.409 ( -5.584 -0.577 4.091) 6.946 12.690 ( 3.251 -3.918 0.462) 5.112 13.445 ( -5.363 0.255 -2.398) 5.880 14.703 ( 5.449 9.813 6.069) 12.760 15.579 ( 7.435 14.101 6.182) 17.097 15.638 ( 6.412 7.089 -0.179) 9.560 16.519 ( -8.934 6.584 -0.185) 11.100 18.223 ( 1.798 -13.454 -0.442) 13.580 18.282 ( 4.242 -18.027 -0.877) 18.540 20.304 ( -10.218 3.802 -5.972) 12.430 20.679 ( -3.247 7.994 7.799) 11.631 24.697 ( -5.264 1.730 3.437) 6.521 25.158 ( -12.772 11.221 -15.580) 23.060 ======================= Grid point 186 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -8.309 3.053 -2.748) 9.269 1.143 ( -8.509 -9.546 12.366) 17.789 1.436 ( -3.869 -13.959 3.780) 14.970 1.797 ( 7.792 -21.055 -0.852) 22.467 2.090 ( -1.695 -0.536 -1.704) 2.462 2.261 ( -19.570 -18.907 2.151) 27.297 2.510 ( -5.865 -10.058 0.022) 11.643 2.704 ( 7.007 -3.378 -4.676) 9.076 2.738 ( 0.790 5.465 -3.278) 6.422 2.837 ( -1.179 1.373 -0.739) 1.955 3.030 ( -1.157 2.896 -1.807) 3.604 3.158 ( 1.946 -10.654 2.566) 11.130 3.381 ( 0.136 3.941 0.612) 3.990 3.406 ( 3.148 6.256 -0.815) 7.051 3.565 ( 5.122 -7.884 -2.367) 9.695 3.583 ( 3.990 3.132 0.026) 5.073 3.720 ( -1.011 2.804 0.100) 2.983 3.868 ( 5.399 1.492 0.725) 5.648 4.078 ( 4.663 0.649 1.551) 4.957 4.180 ( -3.180 2.034 -5.907) 7.010 4.506 ( 8.753 -7.017 0.517) 11.230 4.649 ( -1.372 2.484 4.163) 5.038 4.722 ( 2.933 -0.616 -0.628) 3.062 4.896 ( -6.032 -2.757 1.998) 6.927 5.085 ( -4.432 -2.187 1.619) 5.200 5.243 ( -2.601 0.532 5.646) 6.239 5.381 ( -2.104 -2.507 -0.993) 3.420 5.469 ( -1.123 3.218 -0.897) 3.524 5.557 ( 3.772 3.068 -0.190) 4.866 5.674 ( -1.044 2.072 2.071) 3.110 5.907 ( -1.601 0.295 -2.034) 2.605 6.087 ( -4.473 3.097 0.523) 5.466 6.272 ( -2.901 2.584 -1.666) 4.227 6.397 ( 0.079 5.584 2.515) 6.125 7.240 ( 5.303 -18.166 -4.533) 19.459 7.882 ( 1.145 -22.297 2.037) 22.419 9.219 ( 0.677 -12.736 -0.076) 12.754 9.626 ( -14.365 0.924 -0.776) 14.415 10.016 ( -2.971 -2.763 -1.027) 4.186 10.232 ( -3.550 -4.489 -0.464) 5.742 10.492 ( 0.316 0.652 0.518) 0.891 10.555 ( 1.283 -13.237 -0.105) 13.299 10.666 ( 4.341 0.332 1.413) 4.577 10.971 ( -1.342 -0.815 -3.983) 4.281 11.474 ( 3.509 -7.368 0.630) 8.185 11.678 ( 9.185 -6.064 1.186) 11.070 11.995 ( 8.045 -12.326 -9.895) 17.736 12.371 ( -7.258 -0.031 2.709) 7.747 12.793 ( 1.965 -5.077 0.690) 5.488 13.489 ( 0.690 -9.319 -3.983) 10.158 14.463 ( 1.875 20.445 7.679) 21.920 15.335 ( 5.248 16.037 2.172) 17.013 15.526 ( 7.597 12.211 0.741) 14.401 16.272 ( -11.130 12.020 -0.436) 16.387 18.544 ( 3.828 -19.785 1.371) 20.198 18.754 ( 13.261 -23.317 -5.247) 27.333 20.124 ( -9.984 7.231 -4.791) 13.225 20.442 ( -7.631 12.844 5.962) 16.086 24.623 ( -4.606 1.877 2.120) 5.406 24.817 ( -16.713 10.869 -8.472) 21.662 ======================= Grid point 195 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -15.743 0.000 4.187) 16.290 0.981 ( -18.325 0.000 17.232) 25.154 0.995 ( 2.273 -0.000 -5.386) 5.846 1.098 ( 4.236 -0.000 1.276) 4.424 1.646 ( -38.174 0.000 2.091) 38.231 2.097 ( -5.401 0.000 0.500) 5.424 2.395 ( -9.936 0.000 3.198) 10.439 2.669 ( -0.232 0.000 5.633) 5.638 2.697 ( 7.727 -0.000 -4.560) 8.972 2.781 ( 4.904 -0.000 -9.134) 10.367 2.987 ( 0.049 -0.000 -1.285) 1.286 3.193 ( 5.815 -0.000 1.657) 6.046 3.290 ( -4.521 0.000 -4.426) 6.327 3.498 ( 6.151 -0.000 -0.007) 6.151 3.618 ( 5.998 -0.000 1.713) 6.238 3.646 ( 2.475 -0.000 1.058) 2.692 3.884 ( 8.030 -0.000 1.375) 8.147 3.893 ( 1.920 -0.000 -0.507) 1.986 4.102 ( 5.004 -0.000 0.664) 5.048 4.211 ( -0.525 0.000 -8.183) 8.200 4.280 ( 12.913 -0.000 0.607) 12.927 4.642 ( -5.591 0.000 5.715) 7.995 4.772 ( -3.134 0.000 -0.555) 3.183 4.841 ( 1.052 -0.000 -1.293) 1.667 5.051 ( -17.124 0.000 -0.688) 17.138 5.268 ( 2.189 -0.000 -3.709) 4.307 5.311 ( 5.879 -0.000 15.404) 16.488 5.570 ( -9.323 0.000 -0.101) 9.324 5.580 ( -3.692 0.000 0.451) 3.720 5.737 ( 6.853 -0.000 3.934) 7.902 5.963 ( 4.061 -0.000 -6.471) 7.640 6.172 ( -1.720 0.000 0.535) 1.801 6.352 ( -8.471 0.000 -2.363) 8.795 6.655 ( 8.254 -0.000 1.716) 8.430 6.739 ( 5.878 -0.000 -1.130) 5.986 7.393 ( -0.136 0.000 1.410) 1.416 8.885 ( -0.059 0.000 -0.116) 0.130 9.476 ( 1.647 -0.000 -0.092) 1.650 9.864 ( -3.143 0.000 -0.125) 3.145 10.095 ( 2.278 -0.000 -0.098) 2.281 10.377 ( -7.841 0.000 -0.006) 7.841 10.479 ( 4.898 -0.000 -1.566) 5.142 10.779 ( 8.630 -0.000 0.635) 8.654 11.128 ( -9.577 0.000 -9.645) 13.592 11.431 ( -1.434 0.000 0.025) 1.434 11.460 ( -13.315 0.000 -28.124) 31.117 11.526 ( 4.767 -0.000 0.128) 4.769 12.381 ( -0.945 0.000 8.813) 8.864 12.682 ( 3.566 -0.000 0.013) 3.566 13.379 ( -10.279 0.000 -2.331) 10.540 14.890 ( 16.559 -0.000 9.858) 19.271 15.733 ( 1.873 -0.000 -0.544) 1.951 15.825 ( 14.903 -0.000 10.416) 18.182 16.511 ( -8.751 0.000 0.088) 8.752 18.065 ( -0.412 0.000 0.378) 0.559 18.128 ( 0.096 -0.000 -0.384) 0.396 20.259 ( -9.568 0.000 -6.527) 11.583 20.757 ( 1.013 -0.000 8.108) 8.171 24.668 ( -5.894 0.000 2.951) 6.592 25.158 ( -17.834 0.000 -24.926) 30.649 ======================= Grid point 196 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -18.127 1.179 3.131) 18.433 0.909 ( -15.124 -6.685 17.937) 24.396 1.174 ( 7.236 -13.773 -0.620) 15.571 1.428 ( 8.761 -26.529 -3.958) 28.217 1.592 ( -32.654 -23.595 3.331) 40.424 2.057 ( -6.563 -1.448 -1.225) 6.831 2.337 ( -9.031 -3.526 2.559) 10.027 2.719 ( 7.360 -2.040 -1.799) 7.846 2.792 ( 2.035 -1.888 -5.171) 5.868 2.897 ( 0.217 -9.536 0.084) 9.538 2.959 ( 5.675 3.028 -1.373) 6.577 3.093 ( -1.247 5.831 -1.036) 6.052 3.409 ( -0.548 -8.999 -4.255) 9.969 3.510 ( 5.941 3.969 -0.028) 7.145 3.586 ( 4.252 6.937 1.150) 8.218 3.671 ( 5.458 2.024 0.212) 5.825 3.820 ( 1.575 7.168 1.383) 7.468 3.943 ( 7.429 0.909 1.044) 7.557 4.125 ( 5.056 0.934 -0.357) 5.154 4.199 ( -1.499 1.660 -5.294) 5.747 4.452 ( 8.947 -6.175 1.292) 10.948 4.621 ( -5.021 -2.647 5.225) 7.715 4.741 ( 1.100 0.306 -0.952) 1.487 4.831 ( -5.535 1.128 -1.710) 5.902 4.954 ( -11.837 -4.015 -1.282) 12.565 5.278 ( 0.268 4.491 8.557) 9.668 5.318 ( -0.398 -2.524 1.478) 2.952 5.517 ( 0.382 0.995 4.063) 4.200 5.554 ( -5.970 -0.189 -0.756) 6.021 5.761 ( 6.513 3.351 4.464) 8.577 5.931 ( -0.881 3.473 -4.897) 6.068 6.133 ( -0.131 3.925 -0.474) 3.956 6.279 ( -4.436 1.711 -1.529) 4.995 6.548 ( 2.776 10.060 3.227) 10.924 6.995 ( 7.674 -14.700 -3.777) 17.007 7.541 ( 0.387 -15.532 1.670) 15.626 8.990 ( -0.255 -10.804 -0.099) 10.808 9.528 ( -7.011 -1.733 -0.469) 7.237 9.914 ( -2.551 -6.392 -0.512) 6.901 10.140 ( -6.023 -0.843 -1.143) 6.188 10.286 ( -5.451 -5.829 -2.021) 8.233 10.522 ( 3.087 0.320 -0.061) 3.104 10.822 ( 9.038 4.354 1.868) 10.205 10.981 ( -6.776 1.460 -10.853) 12.878 11.372 ( -0.189 -5.918 -2.574) 6.457 11.614 ( 3.412 -6.962 -1.153) 7.838 11.703 ( -6.468 -23.348 -24.530) 34.477 12.369 ( 2.796 3.013 9.901) 10.721 12.738 ( 2.655 -3.116 0.549) 4.130 13.330 ( -8.364 -4.646 -2.860) 9.986 14.894 ( 18.469 17.954 14.710) 29.662 15.626 ( 1.072 12.716 2.867) 13.079 15.799 ( 10.232 11.269 5.149) 16.069 16.358 ( -10.922 8.176 0.180) 13.645 18.249 ( 1.434 -14.444 -0.271) 14.518 18.396 ( 11.141 -27.663 -4.960) 30.231 20.155 ( -7.415 4.009 -5.564) 10.100 20.629 ( -4.867 13.392 5.702) 15.347 24.610 ( -5.647 1.182 1.447) 5.949 24.852 ( -25.750 10.947 -17.373) 32.935 ======================= Grid point 206 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -22.945 0.000 9.617) 24.879 0.704 ( -20.626 0.000 16.213) 26.235 1.048 ( -32.156 0.000 17.910) 36.807 1.109 ( 5.427 -0.000 -6.930) 8.802 1.188 ( 5.251 -0.000 -0.902) 5.328 1.974 ( -8.676 0.000 -4.304) 9.685 2.248 ( -6.154 0.000 3.568) 7.113 2.684 ( 2.257 -0.000 3.783) 4.405 2.807 ( -1.398 0.000 -4.059) 4.293 2.810 ( 6.067 -0.000 -3.677) 7.095 3.045 ( 4.352 -0.000 -2.826) 5.189 3.184 ( -7.523 0.000 -5.796) 9.496 3.272 ( 3.906 -0.000 0.474) 3.935 3.586 ( 4.131 -0.000 1.064) 4.266 3.708 ( 4.797 -0.000 1.360) 4.986 3.709 ( 4.986 -0.000 -0.276) 4.993 3.917 ( 0.902 -0.000 1.377) 1.646 4.026 ( 10.001 -0.000 2.444) 10.295 4.173 ( 3.664 -0.000 0.302) 3.676 4.210 ( -0.798 0.000 -5.883) 5.937 4.461 ( 8.787 -0.000 0.975) 8.841 4.542 ( -5.437 0.000 5.433) 7.686 4.731 ( -4.499 0.000 -0.327) 4.511 4.819 ( -8.176 0.000 -1.340) 8.285 4.822 ( -2.597 0.000 -6.392) 6.899 5.271 ( -1.154 0.000 -2.517) 2.769 5.403 ( 2.973 -0.000 12.147) 12.505 5.427 ( -8.074 0.000 0.017) 8.074 5.579 ( 5.299 -0.000 5.068) 7.332 5.852 ( 4.846 -0.000 5.045) 6.995 5.961 ( -1.672 0.000 -4.761) 5.046 6.205 ( 6.158 -0.000 1.321) 6.298 6.274 ( 0.179 -0.000 -1.596) 1.606 6.819 ( 3.838 -0.000 -0.941) 3.952 6.824 ( 13.020 -0.000 2.133) 13.194 7.389 ( -0.338 0.000 1.273) 1.317 8.886 ( 0.099 -0.000 -0.158) 0.187 9.492 ( 0.541 -0.000 -0.107) 0.551 9.818 ( -2.376 0.000 -0.131) 2.380 10.136 ( 2.817 -0.000 -0.059) 2.817 10.276 ( -4.912 0.000 -0.033) 4.912 10.414 ( -46.035 0.000 -38.434) 59.970 10.650 ( -29.949 0.000 -17.477) 34.676 10.939 ( 9.457 -0.000 1.908) 9.648 11.213 ( -8.466 0.000 -2.064) 8.714 11.400 ( -1.659 0.000 0.047) 1.660 11.595 ( 3.136 -0.000 0.107) 3.138 12.474 ( 11.857 -0.000 10.010) 15.518 12.728 ( 2.056 -0.000 0.023) 2.056 13.214 ( -8.927 0.000 -0.584) 8.946 15.296 ( 33.182 -0.000 11.924) 35.259 15.754 ( 0.734 -0.000 1.366) 1.550 16.030 ( 6.077 -0.000 7.643) 9.764 16.440 ( 5.798 -0.000 4.812) 7.535 18.059 ( -0.227 0.000 0.412) 0.470 18.129 ( 0.032 -0.000 -0.416) 0.417 20.148 ( -3.346 0.000 -4.521) 5.625 20.757 ( -6.637 0.000 -5.062) 8.347 24.573 ( -6.844 0.000 -1.319) 6.970 24.723 ( -34.184 0.000 -21.689) 40.484 ======================= Grid point 207 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -2.416 0.000 6.620) 7.047 0.650 ( 0.052 -0.000 7.902) 7.902 1.072 ( 0.325 -0.000 -1.109) 1.156 1.195 ( 2.486 -0.000 -3.898) 4.623 1.247 ( -6.755 0.000 15.534) 16.939 1.780 ( 1.676 -0.000 -4.397) 4.705 2.276 ( 0.310 -0.000 1.284) 1.321 2.717 ( -2.677 0.000 0.392) 2.706 2.775 ( 1.527 -0.000 -0.016) 1.527 2.802 ( 0.024 -0.000 -2.227) 2.227 3.035 ( -0.709 0.000 -2.561) 2.657 3.045 ( 3.347 -0.000 -2.286) 4.053 3.307 ( 0.165 -0.000 -0.036) 0.169 3.626 ( -0.321 0.000 -0.071) 0.329 3.781 ( 0.423 -0.000 0.843) 0.943 3.794 ( 1.302 -0.000 1.573) 2.042 3.936 ( -0.275 0.000 0.474) 0.548 4.081 ( -2.649 0.000 -1.460) 3.024 4.190 ( -1.104 0.000 -0.077) 1.107 4.312 ( 8.680 -0.000 2.088) 8.927 4.448 ( -9.780 0.000 -0.101) 9.781 4.555 ( -0.613 0.000 0.386) 0.724 4.647 ( 0.651 -0.000 0.382) 0.755 4.688 ( 5.658 -0.000 -5.256) 7.723 4.783 ( 1.037 -0.000 -1.113) 1.521 5.212 ( -0.703 0.000 -0.878) 1.125 5.351 ( -0.252 0.000 0.042) 0.255 5.516 ( -0.815 0.000 5.717) 5.775 5.688 ( -1.000 0.000 -3.746) 3.878 5.759 ( -0.144 0.000 -0.104) 0.177 6.040 ( 0.831 -0.000 1.548) 1.757 6.210 ( -0.458 0.000 -0.895) 1.005 6.539 ( 9.600 -0.000 4.514) 10.608 6.732 ( -17.206 0.000 -3.345) 17.528 6.835 ( 0.027 -0.000 -0.490) 0.490 7.406 ( -0.091 0.000 0.691) 0.697 8.884 ( 0.034 -0.000 -0.100) 0.105 9.273 ( -0.190 0.000 -0.269) 0.329 9.494 ( -0.017 0.000 -0.076) 0.078 9.795 ( -0.016 0.000 -0.084) 0.086 10.172 ( 0.152 -0.000 0.032) 0.156 10.224 ( -0.134 0.000 -0.082) 0.157 10.594 ( -0.213 0.000 0.571) 0.609 11.059 ( 0.536 -0.000 0.341) 0.635 11.163 ( 1.033 -0.000 -0.706) 1.251 11.387 ( 0.009 -0.000 0.034) 0.035 11.622 ( -0.002 0.000 0.063) 0.063 12.701 ( 3.889 -0.000 -0.098) 3.890 12.745 ( -0.006 0.000 0.015) 0.017 13.139 ( -0.195 0.000 0.118) 0.227 15.686 ( 0.076 -0.000 -0.040) 0.085 15.818 ( 2.022 -0.000 -0.122) 2.026 15.994 ( 0.346 -0.000 0.120) 0.366 16.615 ( -1.972 0.000 0.005) 1.972 18.067 ( 0.033 -0.000 0.371) 0.373 18.119 ( -0.032 0.000 -0.373) 0.375 20.151 ( -6.770 0.000 -0.185) 6.772 20.188 ( -6.105 0.000 0.201) 6.108 24.522 ( 10.331 -0.000 0.128) 10.332 24.529 ( -2.612 0.000 -0.147) 2.616 ======================= Grid point 208 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.300 -13.908 2.442) 14.306 1.004 ( 18.412 -24.896 6.875) 31.719 1.092 ( -1.221 -1.587 9.645) 9.850 1.384 ( -6.137 -20.304 4.170) 21.617 1.439 ( -3.428 -25.219 -6.525) 26.274 1.906 ( 13.891 -6.595 -4.015) 15.893 2.272 ( 0.456 0.144 1.936) 1.994 2.694 ( -5.188 -1.042 1.315) 5.452 2.775 ( -3.531 1.501 -2.533) 4.597 2.931 ( 2.205 -7.769 -0.644) 8.101 2.991 ( 2.668 0.530 -3.825) 4.694 3.041 ( 2.232 1.897 -0.696) 3.011 3.365 ( 1.559 -5.119 -2.279) 5.817 3.582 ( -3.575 2.518 -0.163) 4.376 3.669 ( -1.281 7.718 0.700) 7.855 3.825 ( -2.345 8.654 0.605) 8.987 3.869 ( -0.606 -0.508 -0.466) 0.917 3.975 ( -3.186 5.709 0.527) 6.559 4.180 ( -4.912 -0.212 1.183) 5.057 4.221 ( -6.000 6.369 -1.849) 8.943 4.510 ( 6.503 -4.732 4.136) 9.043 4.584 ( -4.886 -5.840 1.379) 7.739 4.678 ( 5.828 -0.091 -2.784) 6.459 4.764 ( 8.745 -1.819 -3.761) 9.692 4.857 ( -0.095 -5.705 -2.074) 6.071 5.223 ( -2.764 -0.230 1.864) 3.341 5.362 ( 6.427 -1.064 -2.166) 6.865 5.496 ( -1.758 1.567 7.858) 8.203 5.632 ( 0.326 5.024 -2.817) 5.769 5.779 ( -0.869 -2.051 0.558) 2.297 6.024 ( 1.839 3.066 2.187) 4.191 6.160 ( -3.425 6.315 0.909) 7.241 6.291 ( -12.913 12.930 0.598) 18.283 6.526 ( 3.205 5.831 3.450) 7.494 6.983 ( -4.193 -12.657 -2.280) 13.527 7.557 ( -0.085 -15.862 0.964) 15.891 8.986 ( 0.077 -10.466 -0.082) 10.466 9.314 ( 14.476 4.844 -0.609) 15.277 9.805 ( 6.542 -10.471 -1.892) 12.491 9.907 ( 2.221 -10.720 -0.006) 10.948 10.307 ( -2.597 -11.609 -0.295) 11.900 10.518 ( -0.956 -10.343 -0.884) 10.424 10.664 ( 1.880 -25.515 -1.413) 25.623 11.069 ( -5.241 -2.545 -5.323) 7.892 11.107 ( 5.663 0.661 2.103) 6.077 11.460 ( 2.636 -6.317 -0.928) 6.907 11.684 ( -2.061 -7.314 0.163) 7.600 12.652 ( 2.356 5.299 -2.739) 6.414 12.800 ( 0.813 -3.509 -1.101) 3.766 13.179 ( 2.182 -3.911 0.543) 4.511 15.461 ( -20.415 23.771 2.930) 31.471 15.668 ( 1.002 11.360 0.509) 11.415 15.957 ( 4.193 12.305 0.690) 13.018 16.216 ( -1.483 19.692 4.023) 20.153 18.267 ( -0.699 -18.985 0.092) 18.998 18.445 ( -3.031 -28.610 -7.598) 29.756 19.950 ( -12.965 4.654 5.435) 14.808 20.241 ( 15.044 5.486 2.793) 16.254 24.497 ( -0.593 0.540 -1.510) 1.710 24.621 ( 17.685 4.061 -3.343) 18.451 ======================= Grid point 209 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -9.646 -10.327 -3.267) 14.504 1.123 ( -2.291 -8.111 13.507) 15.921 1.572 ( -9.912 -13.477 2.807) 16.963 1.632 ( 21.970 -17.567 0.852) 28.143 1.973 ( -1.796 -29.994 -1.768) 30.100 2.142 ( 5.702 -7.414 -3.426) 9.961 2.351 ( 8.238 -7.758 3.208) 11.762 2.680 ( -4.328 -1.852 -1.098) 4.834 2.686 ( -3.372 4.878 -1.130) 6.037 2.877 ( 4.109 5.239 -3.293) 7.428 3.025 ( 1.358 1.047 -0.444) 1.772 3.197 ( -0.849 -8.822 0.315) 8.868 3.422 ( -0.528 3.919 -2.995) 4.961 3.464 ( -3.210 7.192 -0.112) 7.877 3.575 ( 0.066 4.418 -0.086) 4.420 3.641 ( 0.769 -0.144 -1.489) 1.682 3.776 ( -7.626 4.251 -2.268) 9.020 3.958 ( 4.981 -0.319 0.831) 5.060 4.046 ( -5.345 5.782 -2.082) 8.145 4.166 ( -3.747 -0.180 2.469) 4.491 4.614 ( 1.372 -0.943 5.369) 5.622 4.671 ( -3.709 -6.987 2.250) 8.224 4.710 ( 2.216 -1.412 -2.860) 3.883 4.876 ( 1.909 -5.055 -1.251) 5.546 4.975 ( 3.797 -5.775 -4.087) 8.029 5.171 ( 1.110 3.549 4.907) 6.157 5.426 ( -0.341 2.761 0.249) 2.793 5.460 ( -1.731 -1.581 4.894) 5.427 5.573 ( 5.733 1.869 -2.568) 6.554 5.776 ( -4.483 0.997 0.925) 4.685 5.954 ( -0.948 3.129 1.583) 3.632 6.018 ( 0.470 3.067 -0.895) 3.229 6.187 ( 2.797 2.154 -1.019) 3.675 6.423 ( 0.745 6.448 2.116) 6.827 7.219 ( -3.352 -16.911 -3.255) 17.545 7.912 ( -0.617 -22.850 1.464) 22.905 9.219 ( 0.136 -12.699 0.010) 12.700 9.352 ( 16.041 2.688 -0.687) 16.279 9.940 ( 3.400 -3.674 -0.632) 5.045 10.123 ( 3.345 -9.598 0.130) 10.165 10.502 ( -0.502 2.118 0.451) 2.223 10.619 ( -3.319 -23.778 -0.133) 24.008 10.772 ( -5.649 6.811 2.101) 9.095 10.982 ( 1.900 3.284 -3.474) 5.144 11.473 ( -5.593 -15.879 1.044) 16.868 11.704 ( -1.342 -17.124 -1.075) 17.210 11.833 ( -1.791 -13.811 -1.012) 13.964 12.579 ( 5.717 6.856 -5.763) 10.625 12.849 ( -1.255 -1.798 -0.039) 2.193 13.354 ( 0.681 -15.044 -0.299) 15.063 14.721 ( -10.790 35.599 6.193) 37.710 15.441 ( -6.331 12.636 0.338) 14.138 15.660 ( -6.851 14.931 0.826) 16.448 16.055 ( 13.130 12.181 0.219) 17.911 18.647 ( -4.156 -23.715 3.700) 24.360 18.887 ( -9.447 -25.544 -12.332) 29.897 19.820 ( 1.828 5.389 4.758) 7.417 20.218 ( 13.843 9.775 3.176) 17.241 24.498 ( 3.038 0.636 -1.094) 3.291 24.653 ( 13.806 5.870 -2.980) 15.296 ======================= Grid point 210 (90/141) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -14.048 -2.988 -6.908) 15.937 1.286 ( -7.674 -12.844 9.684) 17.822 1.686 ( -5.441 -7.514 6.753) 11.474 1.943 ( 6.435 -4.004 -0.496) 7.596 2.254 ( -4.907 -5.097 -2.967) 7.673 2.404 ( 5.122 -13.934 0.931) 14.875 2.516 ( 7.334 3.122 1.080) 8.044 2.645 ( 6.161 -7.417 1.166) 9.712 2.766 ( 1.469 -6.615 -3.055) 7.433 2.843 ( -1.730 -0.369 -1.594) 2.381 3.001 ( 1.023 4.412 -0.721) 4.586 3.180 ( 1.036 1.250 -2.167) 2.707 3.301 ( -1.982 6.024 -2.181) 6.706 3.399 ( 4.579 5.632 0.299) 7.265 3.533 ( 1.847 -4.388 4.314) 6.425 3.676 ( -4.928 0.599 -1.418) 5.163 3.773 ( -0.288 -5.759 -2.230) 6.183 3.905 ( -0.148 6.821 -3.208) 7.539 4.052 ( 3.188 -4.922 -1.675) 6.098 4.138 ( -3.245 -0.774 0.702) 3.410 4.557 ( -4.508 3.413 3.956) 6.901 4.751 ( -2.885 -4.867 1.754) 5.924 4.788 ( 1.502 -4.055 -0.881) 4.413 4.944 ( -3.094 -2.719 -2.268) 4.702 5.058 ( -2.933 -2.116 3.124) 4.780 5.175 ( 5.777 -1.039 3.539) 6.854 5.358 ( 2.262 3.965 -2.570) 5.238 5.456 ( -1.486 -0.732 4.490) 4.786 5.604 ( 2.154 1.028 -4.159) 4.795 5.688 ( -6.744 3.049 1.275) 7.510 5.912 ( 2.687 4.266 0.851) 5.113 6.032 ( 2.232 -3.349 -0.045) 4.025 6.194 ( 3.968 0.686 -1.279) 4.225 6.344 ( 2.665 3.334 0.765) 4.336 7.510 ( -1.412 -17.151 -2.857) 17.445 8.318 ( -0.849 -22.588 1.735) 22.670 9.309 ( 9.405 3.359 -0.284) 9.991 9.536 ( 3.236 -9.295 -0.089) 9.842 10.017 ( 2.145 -2.468 -0.121) 3.272 10.317 ( 2.974 -10.552 0.034) 10.963 10.463 ( -0.987 7.270 0.044) 7.337 10.508 ( -2.627 8.080 0.788) 8.532 10.886 ( -2.747 -2.039 -0.721) 3.496 11.203 ( 2.045 -26.510 -1.036) 26.609 11.632 ( -3.108 -8.737 0.195) 9.276 11.791 ( -9.930 -3.393 2.970) 10.906 12.151 ( -1.809 -18.226 -0.033) 18.316 12.478 ( 6.545 9.047 -4.407) 12.005 12.867 ( -1.661 -1.720 1.350) 2.746 13.660 ( -5.342 -18.289 -0.099) 19.054 14.163 ( 0.735 22.262 1.316) 22.313 15.118 ( -9.724 15.929 0.325) 18.665 15.360 ( -5.141 12.490 0.010) 13.506 15.910 ( 12.948 15.899 -0.331) 20.507 19.003 ( -7.053 -20.840 4.009) 22.363 19.199 ( -13.570 -20.116 -8.660) 25.765 19.768 ( 10.148 6.307 1.713) 12.070 20.124 ( 12.095 12.007 2.489) 17.224 24.514 ( 3.757 0.715 -0.393) 3.845 24.647 ( 9.051 4.624 -1.747) 10.312 ======================= Grid point 211 (91/141) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -12.193 1.806 -6.208) 13.801 1.408 ( -12.522 -9.499 2.941) 15.990 1.764 ( 1.251 -2.809 5.995) 6.737 1.962 ( -0.752 1.762 2.815) 3.405 2.266 ( -2.585 -2.068 -3.541) 4.847 2.455 ( 5.158 2.014 -1.022) 5.631 2.643 ( 2.561 0.359 -0.284) 2.602 2.704 ( -1.131 -0.629 1.882) 2.285 2.812 ( -0.361 0.959 0.522) 1.150 2.913 ( 3.805 -4.855 -3.078) 6.894 3.054 ( 2.695 -5.772 -0.106) 6.371 3.179 ( 3.459 2.373 0.537) 4.229 3.218 ( -2.350 0.852 -3.064) 3.954 3.431 ( 9.066 -2.914 -0.468) 9.534 3.640 ( 4.785 -4.018 2.376) 6.685 3.664 ( -5.095 -1.970 0.239) 5.468 3.781 ( 3.086 3.578 -1.461) 4.946 3.853 ( -1.463 -1.912 -0.748) 2.521 4.024 ( -4.286 3.539 -1.105) 5.667 4.187 ( 0.346 1.510 0.159) 1.557 4.514 ( -3.502 -4.085 -0.423) 5.397 4.803 ( 2.137 -0.599 0.151) 2.224 4.858 ( -2.556 -4.708 2.307) 5.833 4.933 ( -1.614 0.751 -0.792) 1.948 5.040 ( -4.765 -0.335 1.753) 5.088 5.260 ( -1.740 -6.320 2.413) 6.985 5.313 ( 3.707 4.792 -2.069) 6.402 5.463 ( -0.843 0.407 1.682) 1.925 5.559 ( 0.181 3.958 -1.449) 4.219 5.614 ( -1.405 -0.313 1.119) 1.823 5.843 ( 1.519 4.940 1.539) 5.393 6.125 ( 1.817 -3.921 -0.878) 4.409 6.202 ( 1.778 1.107 -1.393) 2.516 6.346 ( 3.197 -0.097 0.202) 3.205 7.770 ( 0.038 -11.579 -1.699) 11.703 8.667 ( -0.161 -15.893 1.721) 15.987 9.316 ( 6.504 2.686 -0.176) 7.039 9.651 ( -1.722 -4.586 0.177) 4.902 10.036 ( -0.956 3.925 0.493) 4.070 10.196 ( 0.311 11.110 -0.599) 11.130 10.501 ( 1.447 -1.120 -0.200) 1.841 10.563 ( 2.358 -11.698 -0.074) 11.934 10.888 ( -0.847 -0.650 -0.370) 1.130 11.568 ( 2.152 -9.118 -0.767) 9.400 11.739 ( -2.716 -0.851 1.654) 3.292 11.771 ( -9.059 -7.128 0.412) 11.534 12.414 ( 2.695 -10.665 1.228) 11.068 12.489 ( 2.171 -9.833 -2.288) 10.327 12.853 ( 0.947 3.850 0.821) 4.049 13.779 ( -1.526 4.258 1.270) 4.698 13.967 ( -3.433 -1.290 -1.123) 3.836 14.777 ( -6.782 12.653 0.125) 14.357 15.174 ( -4.129 3.595 -0.302) 5.483 15.713 ( 9.712 15.143 -0.581) 17.999 19.266 ( -7.480 -14.961 2.492) 16.911 19.389 ( -10.760 -11.952 -3.546) 16.468 19.745 ( 9.316 5.050 -0.737) 10.622 20.000 ( 9.614 10.820 1.512) 14.553 24.529 ( 2.080 0.281 -0.264) 2.115 24.637 ( 4.756 2.701 -0.667) 5.510 ======================= Grid point 212 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -3.155 1.177 -3.006) 4.514 1.450 ( 0.615 -1.503 -1.221) 2.031 1.808 ( 0.249 -1.921 0.899) 2.136 1.941 ( 0.983 -0.450 3.897) 4.044 2.278 ( -1.058 1.644 -0.019) 1.955 2.468 ( 1.105 0.128 -1.484) 1.855 2.576 ( -0.435 0.107 -1.376) 1.447 2.759 ( 0.101 0.368 0.054) 0.386 2.798 ( 0.354 -1.617 0.890) 1.880 2.952 ( -0.446 2.112 -0.233) 2.172 3.074 ( -0.332 -1.154 4.051) 4.225 3.166 ( -2.922 1.776 -3.423) 4.838 3.263 ( 3.494 -0.871 -2.854) 4.594 3.552 ( 2.442 -2.620 -0.563) 3.626 3.647 ( -0.307 -1.493 0.665) 1.663 3.696 ( -2.105 -1.147 -0.568) 2.463 3.743 ( 1.221 6.097 -1.985) 6.527 3.885 ( -1.029 -0.665 0.794) 1.460 3.965 ( 0.073 0.117 0.459) 0.480 4.126 ( -0.254 -0.280 2.128) 2.161 4.567 ( -0.077 -0.779 -2.407) 2.531 4.768 ( 0.411 4.421 3.462) 5.630 4.915 ( -0.157 0.649 1.583) 1.718 4.936 ( -1.113 -4.043 1.207) 4.364 5.045 ( -0.699 -3.526 -4.491) 5.753 5.239 ( 1.575 3.706 -1.546) 4.313 5.365 ( -1.633 -5.623 2.482) 6.360 5.415 ( 0.687 3.668 0.164) 3.736 5.516 ( -1.356 0.789 1.702) 2.315 5.644 ( 0.185 -1.292 0.269) 1.332 5.792 ( 3.272 1.537 0.884) 3.722 6.168 ( -0.174 -0.025 -0.279) 0.329 6.191 ( -0.569 0.458 -1.220) 1.422 6.363 ( -0.628 -0.113 0.310) 0.709 7.879 ( 0.057 0.260 -0.850) 0.891 8.823 ( 0.020 -0.304 1.406) 1.438 9.318 ( 0.063 0.018 -0.138) 0.153 9.722 ( -0.102 -0.688 -0.342) 0.776 9.896 ( 0.179 0.081 0.199) 0.280 10.138 ( -0.126 0.568 -0.025) 0.583 10.513 ( 0.481 0.056 -0.687) 0.841 10.700 ( -0.275 0.102 0.217) 0.365 10.892 ( -0.064 -0.018 -0.225) 0.235 11.636 ( -0.488 0.401 -0.112) 0.641 11.723 ( -0.438 -0.831 1.548) 1.811 11.788 ( 0.849 0.350 -0.473) 1.033 12.577 ( -0.162 -0.252 0.409) 0.507 12.652 ( -0.020 1.637 0.367) 1.677 12.779 ( 0.175 -1.475 -0.836) 1.704 13.692 ( 0.030 0.102 0.087) 0.137 13.974 ( 0.043 -0.358 -0.006) 0.360 14.631 ( -0.204 -0.039 0.044) 0.212 15.141 ( 0.228 0.461 0.078) 0.520 15.597 ( -0.146 -0.174 -0.880) 0.909 19.396 ( -1.819 -2.807 1.165) 3.542 19.432 ( 2.534 3.756 -0.446) 4.552 19.737 ( -2.530 -1.075 -1.034) 2.937 19.938 ( 1.944 -0.208 -0.263) 1.973 24.537 ( -0.947 -0.668 -0.605) 1.307 24.627 ( 0.841 0.915 0.294) 1.277 ======================= Grid point 213 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 8.976 0.393 1.020) 9.042 1.478 ( 11.926 4.974 -3.162) 13.303 1.820 ( -1.331 1.739 0.609) 2.273 1.998 ( 2.222 -3.444 1.040) 4.228 2.196 ( 1.110 4.398 1.467) 4.768 2.451 ( -3.614 -0.024 -0.454) 3.642 2.631 ( -2.002 -2.146 0.693) 3.016 2.745 ( 1.904 -0.583 -1.874) 2.734 2.834 ( -0.494 -0.689 -1.131) 1.414 2.870 ( -0.817 4.383 0.857) 4.540 3.067 ( -5.478 7.157 -2.001) 9.233 3.144 ( 0.821 -4.877 2.231) 5.425 3.208 ( -3.524 3.739 -0.472) 5.160 3.464 ( -10.674 3.503 -3.127) 11.661 3.665 ( -4.185 0.767 -0.798) 4.329 3.675 ( 3.576 3.338 -0.444) 4.913 3.762 ( 1.533 -5.031 0.748) 5.312 3.837 ( 4.900 5.210 0.227) 7.156 3.996 ( 1.941 -3.484 1.825) 4.386 4.170 ( -2.753 -0.489 0.908) 2.940 4.550 ( 6.206 2.572 -2.587) 7.199 4.713 ( -3.432 -0.030 6.028) 6.937 4.895 ( 3.169 3.417 2.212) 5.159 4.940 ( 0.358 2.317 -3.798) 4.463 5.125 ( 2.975 -2.620 -5.995) 7.187 5.242 ( -3.512 -3.688 3.694) 6.291 5.350 ( 2.751 4.289 -4.067) 6.520 5.447 ( 1.243 -2.714 4.619) 5.500 5.486 ( -2.619 -0.167 1.934) 3.260 5.659 ( 2.095 -0.648 -0.903) 2.371 5.836 ( 2.074 -2.545 1.898) 3.792 6.132 ( -1.935 2.601 -1.636) 3.631 6.181 ( -2.565 -0.677 0.506) 2.701 6.339 ( -4.230 0.022 0.880) 4.320 7.764 ( 0.121 11.854 -1.086) 11.904 8.677 ( 0.179 15.549 0.863) 15.574 9.315 ( -6.546 -2.657 -0.155) 7.066 9.662 ( 1.592 4.496 -0.750) 4.828 10.055 ( 1.451 -3.649 -1.194) 4.105 10.166 ( -0.730 -11.055 2.076) 11.271 10.507 ( -0.544 0.957 -0.712) 1.311 10.559 ( -2.790 11.580 0.288) 11.915 10.886 ( 0.671 0.873 -0.136) 1.110 11.552 ( -2.059 9.691 0.749) 9.935 11.742 ( 2.164 3.000 0.646) 3.755 11.795 ( 9.810 3.002 -0.968) 10.305 12.419 ( -7.988 6.637 1.722) 10.527 12.454 ( 2.538 15.967 -0.110) 16.168 12.875 ( -0.759 -4.095 -0.988) 4.281 13.798 ( 1.241 -8.504 -0.307) 8.599 13.957 ( 3.902 5.090 -0.364) 6.424 14.776 ( 6.170 -13.039 0.154) 14.426 15.166 ( 4.413 -3.414 0.373) 5.592 15.715 ( -9.766 -15.175 -0.740) 18.061 19.308 ( 9.892 15.485 3.604) 18.725 19.321 ( 6.916 12.456 -2.411) 14.450 19.761 ( -10.340 -7.536 -1.969) 12.945 20.026 ( -6.933 -10.401 -0.897) 12.532 24.536 ( -4.314 -1.519 -1.045) 4.692 24.617 ( -2.707 -0.712 1.161) 3.030 ======================= Grid point 214 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 15.424 3.195 3.240) 16.081 1.404 ( 1.821 9.994 -0.508) 10.171 1.720 ( 3.664 9.470 2.949) 10.574 2.003 ( -3.844 4.915 -5.826) 8.536 2.168 ( 4.286 3.973 4.926) 7.644 2.427 ( -2.638 8.274 -1.802) 8.869 2.544 ( -7.905 -0.523 -0.785) 7.961 2.694 ( -5.559 8.989 -2.495) 10.860 2.734 ( -0.214 6.639 -0.561) 6.666 2.841 ( 0.356 1.690 -1.268) 2.142 2.978 ( -0.373 -2.554 1.451) 2.961 3.143 ( -0.855 -3.621 1.081) 3.875 3.272 ( 1.081 -7.243 0.237) 7.327 3.413 ( -5.094 -4.154 -0.770) 6.618 3.583 ( -0.914 6.029 -1.231) 6.221 3.661 ( -0.687 -2.327 0.305) 2.445 3.741 ( 3.029 9.286 0.088) 9.768 3.864 ( 3.988 -4.156 0.205) 5.764 4.066 ( -2.966 0.467 -1.744) 3.472 4.131 ( 3.860 -1.341 1.369) 4.310 4.603 ( 4.681 -2.010 -0.081) 5.095 4.699 ( -2.495 -0.429 4.518) 5.179 4.828 ( 6.092 8.119 -1.823) 10.313 4.891 ( -2.974 1.906 0.832) 3.629 5.139 ( 2.446 6.638 -3.826) 8.042 5.234 ( -8.572 -3.321 -1.599) 9.331 5.335 ( -0.108 -2.394 -1.170) 2.666 5.478 ( 1.011 -0.264 6.267) 6.353 5.522 ( 1.798 -2.417 -0.024) 3.012 5.708 ( 5.883 -1.149 -0.145) 5.996 5.889 ( 0.537 -2.277 1.976) 3.062 6.056 ( -4.107 2.879 -1.257) 5.170 6.173 ( -4.574 -1.931 0.162) 4.967 6.340 ( -2.449 -4.058 1.119) 4.870 7.503 ( 1.623 17.011 -2.224) 17.233 8.330 ( 0.724 22.539 0.603) 22.559 9.309 ( -9.685 -3.568 -0.250) 10.324 9.540 ( -3.271 9.895 -0.458) 10.432 10.023 ( -2.176 2.830 -0.619) 3.624 10.321 ( -3.566 9.318 -0.457) 9.988 10.449 ( 3.027 -8.992 1.506) 9.606 10.512 ( 1.572 -6.107 0.320) 6.314 10.876 ( 2.742 2.365 0.075) 3.622 11.187 ( -1.601 26.750 0.370) 26.800 11.635 ( 2.475 7.926 -0.150) 8.305 11.850 ( 11.126 2.582 -2.038) 11.602 12.171 ( 2.291 18.212 -2.516) 18.527 12.371 ( -7.216 -5.938 5.690) 10.941 12.886 ( 1.289 2.309 -0.406) 2.675 13.697 ( 5.306 19.242 -3.546) 20.272 14.150 ( -0.798 -24.493 2.590) 24.643 15.119 ( 8.753 -16.326 0.211) 18.526 15.356 ( 5.376 -12.713 0.410) 13.809 15.912 ( -12.798 -15.979 -0.554) 20.480 19.043 ( 7.975 22.007 5.635) 24.077 19.105 ( 10.001 18.922 -5.280) 22.044 19.827 ( -8.541 -8.086 -3.627) 12.308 20.163 ( -11.272 -12.548 -1.143) 16.906 24.519 ( -6.835 -1.533 -1.099) 7.091 24.610 ( -5.829 -2.177 1.867) 6.497 ======================= Grid point 215 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 12.214 8.763 3.932) 15.538 1.211 ( -5.605 7.819 5.268) 10.968 1.515 ( -3.256 15.691 3.886) 16.490 1.767 ( -2.315 16.319 -7.402) 18.068 1.964 ( -0.839 32.438 -1.272) 32.474 2.077 ( -9.162 6.132 3.148) 11.466 2.397 ( -8.322 8.414 -1.039) 11.880 2.696 ( 3.110 -1.643 -2.161) 4.128 2.726 ( 4.975 -4.323 -3.957) 7.687 2.815 ( -3.366 -3.125 1.283) 4.769 3.009 ( -0.352 -1.768 0.781) 1.964 3.203 ( 0.943 9.075 -0.056) 9.124 3.393 ( -0.202 -3.253 -0.952) 3.395 3.452 ( 4.580 -6.805 0.718) 8.234 3.561 ( 0.878 -0.354 0.355) 1.011 3.637 ( 0.428 -3.845 -0.115) 3.871 3.749 ( 4.675 -4.360 0.789) 6.441 3.968 ( 1.779 -3.970 0.023) 4.350 4.049 ( 0.634 -2.092 -2.315) 3.184 4.190 ( 3.740 -0.413 0.444) 3.789 4.636 ( 1.782 3.144 3.063) 4.737 4.677 ( -2.914 -0.517 2.185) 3.679 4.723 ( -0.989 6.175 -4.733) 7.843 4.823 ( -0.686 3.696 3.578) 5.190 4.966 ( -4.228 8.863 -3.357) 10.378 5.259 ( -3.058 -3.886 -2.334) 5.468 5.362 ( 0.429 2.162 2.741) 3.517 5.509 ( -2.642 -3.919 2.766) 5.476 5.555 ( -0.304 -2.280 -0.506) 2.355 5.777 ( 4.027 -0.769 0.287) 4.109 5.944 ( 6.164 -2.013 3.430) 7.336 6.018 ( -2.945 -3.567 -1.364) 4.822 6.182 ( -3.623 -2.842 -0.698) 4.657 6.438 ( -1.040 -7.647 0.866) 7.766 7.220 ( 3.468 16.305 -3.318) 16.996 7.923 ( 0.287 22.875 0.463) 22.882 9.221 ( -0.091 12.948 -0.205) 12.950 9.347 ( -16.131 -2.850 -0.266) 16.383 9.942 ( -3.359 3.819 -0.777) 5.146 10.133 ( -4.039 9.282 -0.739) 10.150 10.506 ( 0.459 -2.390 0.049) 2.434 10.614 ( 3.620 23.893 0.382) 24.168 10.787 ( 5.822 -10.198 1.436) 11.830 10.929 ( -0.390 1.846 0.442) 1.938 11.510 ( 3.585 9.970 -1.562) 10.710 11.775 ( -3.113 26.529 -9.134) 28.229 11.820 ( 5.252 10.264 0.339) 11.535 12.456 ( -1.126 -7.241 6.635) 9.885 12.840 ( 1.774 3.826 0.662) 4.269 13.384 ( -2.230 14.618 -2.993) 15.087 14.732 ( 10.627 -35.728 4.946) 37.602 15.438 ( 5.042 -12.908 0.505) 13.867 15.662 ( 6.432 -15.304 0.675) 16.614 16.065 ( -12.688 -12.818 -0.622) 18.047 18.665 ( 3.837 25.059 4.043) 25.671 18.809 ( 9.650 23.322 -6.488) 26.060 19.915 ( -2.423 -6.925 -4.599) 8.658 20.277 ( -16.099 -11.965 -2.462) 20.209 24.484 ( -6.599 -0.752 -0.083) 6.642 24.600 ( -8.161 -2.766 2.218) 8.898 ======================= Grid point 216 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 2.234 12.361 5.964) 13.905 1.021 ( -13.918 20.661 6.282) 25.691 1.140 ( -7.357 4.835 2.731) 9.218 1.381 ( 4.230 26.924 -1.197) 27.280 1.468 ( 4.377 20.055 -1.168) 20.560 1.870 ( -11.652 4.980 -1.008) 12.712 2.284 ( -2.066 1.011 0.932) 2.481 2.729 ( 0.851 0.058 -2.175) 2.336 2.775 ( 3.853 0.079 -1.995) 4.340 2.921 ( -1.163 3.390 1.758) 3.992 2.961 ( 1.385 3.755 -3.570) 5.363 3.035 ( -1.586 -1.477 0.156) 2.172 3.352 ( 0.133 4.312 -0.967) 4.421 3.583 ( 3.376 -2.981 -0.345) 4.517 3.666 ( 1.770 -7.592 1.164) 7.882 3.806 ( 5.967 -4.269 2.087) 7.628 3.851 ( -0.114 -5.818 0.924) 5.892 4.023 ( -0.562 -4.101 -3.182) 5.221 4.167 ( 8.081 -4.169 1.372) 9.196 4.212 ( 2.759 -0.250 0.149) 2.774 4.560 ( -7.498 2.347 2.997) 8.409 4.591 ( 0.596 5.759 -1.980) 6.119 4.669 ( -0.521 0.653 -3.349) 3.451 4.716 ( -7.254 3.828 1.162) 8.283 4.837 ( 2.408 5.356 -0.492) 5.893 5.267 ( 0.732 5.334 -1.741) 5.658 5.323 ( -4.683 -4.619 1.317) 6.708 5.522 ( -2.165 -0.756 4.649) 5.184 5.644 ( -0.541 -5.308 -3.106) 6.174 5.776 ( 0.578 1.679 -0.017) 1.776 6.014 ( -0.276 -2.563 3.405) 4.271 6.177 ( 1.104 -5.644 -0.594) 5.781 6.275 ( 12.960 -11.681 1.689) 17.529 6.571 ( -5.589 -10.363 -0.405) 11.781 6.997 ( 3.143 11.516 -3.731) 12.507 7.562 ( -0.469 16.056 0.426) 16.068 8.985 ( -0.055 10.506 -0.065) 10.507 9.313 ( -14.427 -5.025 -0.492) 15.285 9.808 ( -6.746 9.883 -2.185) 12.164 9.912 ( -3.233 10.956 -0.583) 11.437 10.302 ( 3.020 11.778 0.083) 12.160 10.527 ( 0.090 8.450 -1.571) 8.595 10.680 ( -4.181 28.842 -3.504) 29.353 10.998 ( 7.357 -5.030 2.246) 9.191 11.170 ( -6.473 8.128 -4.708) 11.407 11.449 ( -1.472 5.471 0.369) 5.678 11.686 ( 1.921 7.534 -0.049) 7.775 12.597 ( 4.168 -6.171 3.019) 8.035 12.785 ( 1.350 3.567 0.613) 3.863 13.192 ( -3.779 4.563 -0.701) 5.966 15.456 ( 22.274 -22.475 3.440) 31.829 15.659 ( -2.458 -11.358 1.289) 11.692 15.948 ( -3.548 -11.508 1.302) 12.113 16.251 ( -1.625 -21.227 0.683) 21.300 18.267 ( 0.787 19.500 0.117) 19.516 18.421 ( 5.107 26.422 -4.697) 27.318 20.037 ( 6.022 -4.974 -3.521) 8.567 20.307 ( -23.561 -8.087 -3.962) 25.223 24.461 ( 0.204 -0.403 1.916) 1.968 24.573 ( -8.549 -1.636 1.634) 8.857 ======================= Grid point 218 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 13.635 -0.000 6.307) 15.023 0.965 ( 31.479 -0.000 6.502) 32.144 1.029 ( -5.460 0.000 -0.932) 5.539 1.066 ( -10.593 0.000 17.147) 20.155 1.249 ( 4.368 -0.000 -5.926) 7.362 1.975 ( 17.414 -0.000 -2.207) 17.553 2.294 ( 2.388 -0.000 1.637) 2.896 2.622 ( -8.875 0.000 3.717) 9.622 2.755 ( -5.122 0.000 -3.354) 6.122 2.816 ( 3.532 -0.000 -2.638) 4.408 3.046 ( 2.174 -0.000 -0.901) 2.353 3.150 ( 8.959 -0.000 -5.965) 10.763 3.281 ( -3.531 0.000 0.166) 3.535 3.568 ( -6.439 0.000 0.453) 6.455 3.748 ( -4.377 0.000 0.478) 4.403 3.787 ( -2.301 0.000 -0.160) 2.307 3.906 ( -4.811 0.000 0.410) 4.828 4.024 ( -1.034 0.000 0.887) 1.363 4.141 ( -3.977 0.000 1.027) 4.108 4.178 ( -13.340 0.000 -3.010) 13.675 4.463 ( -9.082 0.000 0.860) 9.122 4.553 ( 10.429 -0.000 4.082) 11.199 4.743 ( 3.354 -0.000 -0.551) 3.399 4.823 ( 7.817 -0.000 -7.664) 10.947 4.829 ( 10.507 -0.000 -1.531) 10.618 5.200 ( -0.858 0.000 -1.023) 1.335 5.419 ( 7.756 -0.000 0.195) 7.759 5.494 ( -3.125 0.000 8.398) 8.960 5.686 ( 1.272 -0.000 -1.739) 2.155 5.755 ( 0.289 -0.000 0.587) 0.654 6.073 ( 0.762 -0.000 3.452) 3.536 6.184 ( -8.078 0.000 0.096) 8.079 6.274 ( -14.878 0.000 -1.434) 14.947 6.620 ( -2.788 0.000 7.105) 7.633 6.803 ( -3.947 0.000 -0.554) 3.986 7.407 ( 0.234 -0.000 0.826) 0.859 8.884 ( 0.010 -0.000 -0.129) 0.130 9.489 ( -0.554 0.000 -0.050) 0.557 9.814 ( 2.330 -0.000 -0.065) 2.331 9.836 ( 50.580 -0.000 -6.358) 50.978 10.139 ( -2.833 0.000 -0.107) 2.835 10.273 ( 4.975 -0.000 0.032) 4.975 10.598 ( 1.426 -0.000 0.663) 1.572 11.000 ( -5.022 0.000 -1.066) 5.134 11.225 ( 4.569 -0.000 -2.835) 5.377 11.401 ( 1.668 -0.000 0.020) 1.668 11.596 ( -3.136 0.000 0.068) 3.136 12.728 ( -2.075 0.000 0.019) 2.075 12.742 ( 2.496 -0.000 -6.634) 7.088 13.192 ( 5.580 -0.000 0.654) 5.618 15.444 ( -25.376 0.000 -0.934) 25.394 15.752 ( -5.043 0.000 1.016) 5.144 16.147 ( 2.866 -0.000 0.174) 2.871 16.400 ( -13.059 0.000 6.397) 14.542 18.070 ( 0.283 -0.000 0.329) 0.434 18.118 ( -0.087 0.000 -0.333) 0.344 19.923 ( -2.385 0.000 6.842) 7.246 20.426 ( 16.411 -0.000 6.175) 17.534 24.513 ( 3.557 -0.000 -1.252) 3.771 24.839 ( 21.876 -0.000 -12.077) 24.988 ======================= Grid point 219 (98/141) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.863 -4.799 0.550) 9.228 0.995 ( -5.750 -1.919 18.931) 19.877 1.299 ( -2.775 -21.329 0.769) 21.523 1.401 ( 4.571 -18.755 -6.862) 20.487 1.464 ( 26.301 -21.322 2.271) 33.934 2.119 ( 8.110 -1.817 -1.954) 8.538 2.335 ( 9.835 -2.041 3.505) 10.638 2.577 ( -8.814 -2.857 3.133) 9.781 2.699 ( -5.480 1.210 -3.540) 6.635 2.966 ( 1.720 -11.527 -2.375) 11.894 3.047 ( 4.855 4.348 -2.658) 7.038 3.080 ( 1.792 5.299 -0.547) 5.621 3.398 ( 2.080 -8.360 -3.657) 9.358 3.484 ( -7.721 2.299 0.113) 8.057 3.626 ( -4.185 7.449 0.150) 8.545 3.749 ( -5.936 4.861 -0.940) 7.729 3.810 ( -4.575 5.102 0.275) 6.858 3.976 ( 2.022 1.441 1.807) 3.070 4.033 ( -10.288 2.086 -1.527) 10.608 4.156 ( -2.218 -1.215 -0.199) 2.537 4.471 ( -9.101 -7.629 0.858) 11.906 4.625 ( 3.641 -0.154 3.751) 5.230 4.759 ( 3.571 0.809 -0.071) 3.662 4.842 ( 1.985 -0.005 -3.713) 4.210 4.959 ( 11.746 -2.143 -2.343) 12.168 5.211 ( 0.725 -1.086 0.543) 1.415 5.446 ( -3.248 1.289 9.845) 10.447 5.463 ( 4.475 2.041 -0.224) 4.924 5.664 ( 1.215 2.666 -2.809) 4.059 5.777 ( 3.360 0.210 1.611) 3.732 5.965 ( -9.770 3.136 1.075) 10.317 6.118 ( 5.857 4.009 -2.119) 7.407 6.232 ( 1.560 1.090 -0.728) 2.037 6.526 ( -3.166 5.447 4.053) 7.492 6.901 ( -5.592 -13.438 -1.666) 14.650 7.555 ( -0.208 -15.351 1.158) 15.396 8.989 ( 0.314 -10.717 -0.075) 10.722 9.522 ( 7.858 -1.195 -0.384) 7.958 9.905 ( 3.268 -5.435 -0.506) 6.362 10.072 ( 15.044 -0.189 -0.746) 15.063 10.254 ( -1.085 -11.422 -1.034) 11.520 10.494 ( -2.151 -5.128 0.207) 5.565 10.700 ( 0.712 -8.895 0.539) 8.939 11.017 ( 0.084 -5.304 -7.510) 9.194 11.190 ( 4.612 0.469 2.178) 5.122 11.514 ( 3.427 -8.318 -1.977) 9.211 11.628 ( -4.650 -6.838 -0.217) 8.272 12.672 ( 0.216 2.312 -3.903) 4.542 12.814 ( 0.892 -2.836 -5.797) 6.515 13.242 ( 4.978 -1.632 2.001) 5.608 15.078 ( -24.009 17.851 3.249) 30.094 15.617 ( -5.503 10.500 2.711) 12.160 15.874 ( -11.651 16.344 4.288) 20.525 16.326 ( 11.866 6.848 0.720) 13.719 18.250 ( -1.287 -16.732 -0.297) 16.784 18.351 ( -6.794 -23.374 -3.393) 24.577 19.926 ( 7.820 2.298 4.600) 9.359 20.486 ( 14.358 6.763 5.998) 16.967 24.549 ( 6.593 0.746 0.062) 6.635 24.916 ( 16.810 7.999 -11.442) 21.851 ======================= Grid point 220 (99/141) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 2.028 -0.315 -2.071) 2.915 1.030 ( -5.784 -6.962 12.571) 15.490 1.549 ( 6.764 -9.550 4.010) 12.371 1.816 ( -2.560 -19.414 -2.258) 19.712 2.044 ( 11.046 -15.777 0.340) 19.262 2.192 ( 4.967 -9.430 -0.101) 10.658 2.506 ( 6.797 -6.099 0.324) 9.138 2.618 ( -2.413 -7.256 -0.700) 7.679 2.637 ( -1.966 0.158 -2.191) 2.949 2.927 ( 0.811 7.599 0.188) 7.644 3.068 ( 5.257 0.472 -2.512) 5.845 3.188 ( -0.708 -4.489 0.109) 4.546 3.351 ( -3.508 2.220 0.297) 4.162 3.450 ( -1.586 4.970 -1.142) 5.340 3.572 ( -7.980 -4.816 -1.676) 9.470 3.580 ( -0.936 5.494 1.127) 5.686 3.725 ( 1.846 1.140 -1.767) 2.799 3.935 ( -6.920 0.597 -0.120) 6.947 4.033 ( 4.092 -3.380 -2.279) 5.776 4.137 ( 0.390 2.550 0.165) 2.585 4.531 ( -11.554 -5.514 0.080) 12.803 4.595 ( -3.081 0.495 4.302) 5.315 4.805 ( 5.989 -0.773 -0.501) 6.060 4.851 ( -3.864 -2.649 2.271) 5.207 5.060 ( 5.090 0.052 -3.198) 6.012 5.244 ( 5.031 1.372 4.431) 6.843 5.395 ( -1.715 -0.123 5.668) 5.923 5.447 ( 1.178 1.611 -0.519) 2.062 5.635 ( -1.278 0.900 -2.293) 2.775 5.749 ( 4.001 5.803 -2.376) 7.438 5.939 ( 0.144 -3.146 -2.237) 3.862 6.082 ( 5.731 5.573 1.791) 8.192 6.232 ( 2.463 0.753 -0.881) 2.722 6.418 ( -1.136 4.052 1.932) 4.631 7.160 ( -3.604 -19.084 -2.660) 19.603 7.898 ( -1.124 -22.434 1.469) 22.510 9.214 ( -0.590 -12.352 0.027) 12.366 9.616 ( 14.797 1.406 -0.574) 14.874 10.000 ( 3.679 -2.289 -0.668) 4.385 10.194 ( 4.253 -5.378 0.427) 6.870 10.499 ( -0.424 -0.456 0.302) 0.692 10.569 ( -1.076 -18.827 -0.340) 18.861 10.673 ( -6.414 1.582 1.238) 6.721 10.987 ( -0.783 1.541 -4.685) 4.994 11.407 ( -2.960 -13.383 2.523) 13.937 11.642 ( -4.958 -5.363 1.232) 7.407 11.815 ( -1.614 -16.406 -2.194) 16.630 12.647 ( 2.851 3.257 -6.031) 7.424 12.821 ( -2.141 -0.130 -0.274) 2.163 13.367 ( 0.663 -9.622 0.473) 9.656 14.567 ( -6.923 22.658 3.677) 23.976 15.324 ( -7.550 15.220 2.358) 17.153 15.549 ( -7.282 13.300 0.501) 15.171 16.257 ( 11.526 11.809 -0.153) 16.502 18.575 ( -4.556 -20.936 2.280) 21.546 18.703 ( -11.342 -23.292 -5.909) 26.572 19.952 ( 12.362 4.228 1.920) 13.205 20.430 ( 12.168 10.916 3.780) 16.778 24.580 ( 6.734 1.902 1.215) 7.102 24.862 ( 11.379 9.535 -6.876) 16.361 ======================= Grid point 221 (100/141) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.888 2.815 -0.089) 3.391 1.154 ( -0.214 -9.576 3.551) 10.216 1.741 ( 7.493 -3.872 6.088) 10.402 1.968 ( -0.850 -1.916 3.163) 3.795 2.166 ( -3.853 -6.135 -3.813) 8.187 2.466 ( 1.871 -4.953 -1.654) 5.547 2.629 ( 4.416 -4.899 0.263) 6.601 2.740 ( 2.555 -12.743 -1.139) 13.046 2.753 ( -0.422 1.511 -2.453) 2.912 2.817 ( -0.921 0.176 0.546) 1.085 3.047 ( 4.576 3.030 -0.752) 5.539 3.199 ( -0.128 -0.464 -1.128) 1.227 3.263 ( -2.931 5.355 -0.932) 6.175 3.450 ( -4.158 0.599 0.920) 4.300 3.522 ( 0.943 -6.852 0.296) 6.923 3.616 ( -0.767 -2.607 2.066) 3.413 3.773 ( 2.023 -1.709 -0.747) 2.751 3.891 ( -1.147 0.504 -2.551) 2.842 4.072 ( 2.513 5.111 -1.056) 5.793 4.164 ( 2.700 -5.894 -2.251) 6.862 4.446 ( -8.431 1.843 0.759) 8.664 4.636 ( -7.892 -7.540 4.137) 11.673 4.843 ( -1.520 -2.185 -1.150) 2.899 4.899 ( -0.924 -3.456 2.854) 4.577 5.043 ( 1.299 3.858 -0.634) 4.120 5.207 ( -1.387 0.888 4.334) 4.637 5.432 ( 2.014 2.015 0.795) 2.958 5.455 ( 6.489 -0.778 0.013) 6.536 5.591 ( -3.764 1.513 2.751) 4.901 5.685 ( 6.271 4.965 -6.727) 10.451 5.971 ( 4.266 5.326 -0.820) 6.874 6.058 ( 0.951 -3.271 1.472) 3.711 6.234 ( 1.101 1.145 -1.494) 2.181 6.371 ( 0.265 1.267 1.117) 1.710 7.490 ( -0.790 -18.922 -2.154) 19.060 8.298 ( -1.530 -22.899 1.597) 23.006 9.340 ( -3.811 -3.431 -0.010) 5.128 9.688 ( 12.870 3.536 -0.172) 13.348 10.055 ( 2.629 -0.742 -0.314) 2.749 10.360 ( 1.605 -7.564 0.906) 7.785 10.436 ( -1.481 9.111 -0.651) 9.253 10.523 ( 4.799 -0.288 -0.355) 4.821 10.840 ( -3.030 -4.396 -0.497) 5.362 11.215 ( -0.745 -26.288 -1.464) 26.340 11.551 ( -7.270 -8.082 1.263) 10.944 11.668 ( -4.895 -2.834 1.474) 5.845 12.108 ( -3.380 -18.134 -0.262) 18.448 12.577 ( 6.166 6.284 -2.873) 9.261 12.850 ( -0.439 -3.298 1.001) 3.475 13.556 ( -7.664 -13.830 -0.086) 15.812 14.189 ( 2.621 18.595 0.669) 18.791 14.986 ( -6.647 15.641 1.317) 17.045 15.271 ( -6.118 11.186 -0.329) 12.754 16.087 ( 9.238 16.403 -0.296) 18.828 18.892 ( -6.741 -19.302 2.640) 20.615 18.994 ( -11.130 -19.776 -4.425) 23.121 19.956 ( 12.441 6.695 0.647) 14.143 20.304 ( 10.307 12.929 1.628) 16.615 24.584 ( 4.626 2.761 1.501) 5.592 24.778 ( 6.868 7.719 -3.792) 11.006 ======================= Grid point 222 (101/141) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 7.237 2.101 -0.485) 7.551 1.364 ( 9.379 -9.698 -0.444) 13.499 1.788 ( -0.233 -0.124 2.945) 2.957 1.966 ( 1.284 1.490 4.133) 4.577 2.276 ( 4.512 -4.628 -1.802) 6.710 2.491 ( -0.451 0.131 -2.967) 3.003 2.602 ( -3.836 5.983 -0.280) 7.112 2.761 ( 4.783 -2.846 0.928) 5.643 2.793 ( -1.138 1.727 0.453) 2.117 2.961 ( 2.211 -4.008 -3.212) 5.592 3.058 ( -3.258 1.147 3.571) 4.968 3.157 ( -4.966 1.441 -1.486) 5.380 3.193 ( -2.673 -5.251 -1.992) 6.220 3.491 ( -8.021 -5.795 0.635) 9.916 3.613 ( 5.941 -0.852 0.384) 6.014 3.645 ( -2.782 -2.121 -1.145) 3.681 3.793 ( -2.978 -0.307 0.540) 3.042 3.882 ( 5.833 4.254 -3.716) 8.120 4.044 ( 6.026 0.267 0.370) 6.043 4.151 ( -4.579 4.881 2.945) 7.312 4.450 ( -3.911 -6.496 -2.448) 7.968 4.741 ( -6.289 -10.461 3.228) 12.626 4.863 ( -2.328 -1.775 1.864) 3.470 4.930 ( 1.515 1.451 -1.614) 2.647 4.975 ( -2.031 0.735 0.640) 2.252 5.252 ( 1.152 -5.099 2.854) 5.956 5.386 ( 4.825 6.031 -2.481) 8.112 5.467 ( 1.921 2.522 0.765) 3.261 5.562 ( 1.894 0.609 5.599) 5.942 5.669 ( 5.315 2.944 -3.944) 7.244 5.894 ( 5.207 5.556 -1.277) 7.721 6.132 ( -0.904 -3.238 -0.502) 3.400 6.202 ( -1.845 1.818 -1.290) 2.894 6.355 ( -2.166 0.354 1.132) 2.469 7.775 ( 0.611 -11.883 -1.224) 11.961 8.646 ( -2.331 -16.273 1.564) 16.513 9.327 ( -4.229 -0.336 -0.095) 4.243 9.706 ( 7.484 1.947 0.190) 7.735 10.013 ( -1.878 7.545 0.102) 7.776 10.202 ( 0.372 7.039 -0.445) 7.063 10.545 ( 4.517 -0.704 -0.980) 4.676 10.646 ( 7.836 -7.721 0.153) 11.001 10.871 ( -1.489 -1.882 -0.252) 2.413 11.583 ( -2.739 -11.631 -0.095) 11.950 11.602 ( -8.699 -5.591 0.590) 10.358 11.695 ( -3.525 -5.535 0.492) 6.581 12.393 ( -2.514 -16.032 0.287) 16.230 12.615 ( 10.674 -3.081 -0.694) 11.131 12.871 ( 1.154 2.430 0.285) 2.705 13.703 ( -8.187 -8.334 0.514) 11.693 13.931 ( -0.566 10.218 -0.458) 10.244 14.718 ( -0.788 9.151 0.662) 9.208 15.100 ( -5.149 1.882 -0.561) 5.511 15.833 ( 5.484 18.093 -0.409) 18.911 19.151 ( -6.697 -15.834 1.747) 17.280 19.235 ( -8.328 -15.998 -2.393) 18.193 19.901 ( 9.768 9.670 0.961) 13.779 20.144 ( 8.175 13.028 -0.445) 15.387 24.558 ( 1.614 2.719 1.142) 3.362 24.699 ( 2.905 5.444 -1.941) 6.469 ======================= Grid point 223 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 20.776 0.421 -0.713) 20.793 1.610 ( 16.048 -3.614 -0.783) 16.469 1.802 ( 0.220 -2.767 1.561) 3.185 1.976 ( 3.344 -1.410 1.308) 3.858 2.295 ( 2.669 5.845 1.190) 6.535 2.443 ( -4.570 3.963 -2.564) 6.570 2.572 ( 0.253 -4.372 -0.809) 4.453 2.747 ( -1.890 1.525 0.285) 2.445 2.806 ( -1.180 -0.626 0.294) 1.368 2.917 ( -3.852 2.705 1.337) 4.893 3.068 ( 1.118 -2.605 1.797) 3.356 3.111 ( -3.844 0.090 -2.855) 4.789 3.243 ( -5.233 0.909 -1.682) 5.571 3.445 ( -10.930 2.381 -1.360) 11.269 3.603 ( -9.387 1.287 -1.929) 9.670 3.695 ( 0.818 -3.019 0.567) 3.179 3.740 ( 3.285 1.737 -0.460) 3.744 3.916 ( 5.238 -4.452 2.365) 7.270 3.972 ( -1.868 5.981 -0.575) 6.292 4.171 ( 5.667 -1.246 1.195) 5.924 4.521 ( -4.598 -5.500 -0.905) 7.226 4.800 ( 1.583 7.816 3.045) 8.536 4.858 ( -4.736 -5.265 0.175) 7.084 4.943 ( 0.266 -4.188 0.735) 4.260 5.027 ( -0.323 -5.732 -2.682) 6.337 5.306 ( 5.892 6.157 -2.731) 8.949 5.370 ( 2.065 -3.677 2.962) 5.153 5.437 ( 0.555 0.727 2.902) 3.043 5.547 ( 4.873 5.364 0.376) 7.257 5.673 ( 4.456 -0.533 0.831) 4.564 5.873 ( 6.162 2.644 -2.341) 7.102 6.123 ( -6.385 0.770 -1.531) 6.611 6.170 ( -0.998 0.199 0.573) 1.168 6.311 ( -5.533 1.142 1.056) 5.748 7.883 ( 0.407 0.757 -0.885) 1.234 8.784 ( -4.381 -1.829 1.205) 4.898 9.291 ( -2.428 2.875 0.075) 3.764 9.759 ( 3.607 0.951 -0.218) 3.737 9.900 ( 0.343 -4.310 0.097) 4.324 10.132 ( -0.570 2.837 -0.019) 2.894 10.564 ( 5.025 3.031 -1.041) 5.960 10.718 ( 2.490 5.675 0.456) 6.214 10.886 ( -0.651 -0.892 -0.230) 1.128 11.609 ( -3.463 0.582 0.140) 3.515 11.668 ( -4.831 -7.490 1.706) 9.074 11.806 ( 1.312 -6.246 -0.815) 6.434 12.577 ( -0.259 1.840 0.398) 1.900 12.683 ( 3.745 3.831 0.575) 5.388 12.785 ( 0.575 4.424 -1.011) 4.575 13.701 ( 1.052 0.274 0.048) 1.088 13.928 ( -5.081 -9.887 0.017) 11.116 14.688 ( 6.508 -3.114 0.244) 7.219 15.126 ( -2.092 -6.573 -0.286) 6.904 15.575 ( -2.266 10.186 -0.658) 10.456 19.347 ( -3.640 -10.442 1.179) 11.121 19.426 ( -2.603 -10.040 -1.447) 10.472 19.760 ( 4.508 12.558 2.678) 13.609 19.988 ( 3.524 8.960 -3.218) 10.152 24.518 ( -1.208 1.942 0.666) 2.381 24.630 ( -0.362 3.380 -0.781) 3.488 ======================= Grid point 224 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 26.335 2.541 0.808) 26.470 1.600 ( 0.532 10.198 1.147) 10.276 1.901 ( 10.080 3.177 3.536) 11.145 2.053 ( 7.284 -0.356 -5.373) 9.058 2.234 ( -1.720 4.044 2.233) 4.930 2.323 ( -8.222 -4.470 0.114) 9.360 2.586 ( -3.074 4.297 0.518) 5.308 2.725 ( -7.740 0.361 -1.562) 7.904 2.813 ( 2.280 -5.540 -1.759) 6.243 2.897 ( 1.827 3.571 -1.224) 4.194 2.993 ( -3.593 8.486 -0.338) 9.222 3.137 ( -3.803 1.865 0.895) 4.329 3.157 ( 0.917 -3.417 1.832) 3.984 3.291 ( -10.111 -0.420 -2.146) 10.345 3.563 ( -4.291 -3.190 0.191) 5.351 3.658 ( -2.258 2.351 0.670) 3.328 3.829 ( 0.096 -4.444 -1.279) 4.625 3.878 ( -0.289 3.030 -3.447) 4.599 4.063 ( 6.556 -1.299 2.970) 7.314 4.160 ( 2.225 3.224 0.505) 3.950 4.597 ( -1.219 -5.554 -0.931) 5.762 4.676 ( 0.470 5.386 3.786) 6.600 4.886 ( -3.634 -1.670 0.713) 4.062 4.995 ( 4.709 1.782 -1.930) 5.392 5.122 ( -1.393 -4.421 -1.692) 4.934 5.228 ( 1.085 4.588 0.234) 4.720 5.360 ( -1.783 5.064 -3.667) 6.502 5.479 ( 2.459 -3.377 3.184) 5.253 5.522 ( 5.686 1.955 4.436) 7.473 5.744 ( 7.581 -1.248 0.468) 7.697 5.878 ( 2.858 0.483 -1.213) 3.142 6.053 ( -7.859 0.056 -2.227) 8.168 6.141 ( -2.282 2.708 1.422) 3.816 6.258 ( -4.851 -1.764 1.122) 5.283 7.768 ( 0.390 11.382 -1.604) 11.501 8.658 ( -2.168 12.627 0.882) 12.842 9.193 ( -6.526 2.065 0.125) 6.846 9.713 ( 3.077 6.368 -0.563) 7.095 10.064 ( -0.152 2.596 -0.783) 2.716 10.167 ( 0.731 -17.396 1.630) 17.488 10.496 ( -0.416 7.427 -0.128) 7.440 10.558 ( 1.238 9.191 -0.016) 9.274 10.899 ( 1.090 -0.485 -0.236) 1.216 11.513 ( -2.599 9.251 0.576) 9.626 11.759 ( 0.221 -0.946 1.160) 1.513 11.922 ( 5.923 -3.013 -1.484) 6.809 12.317 ( -4.245 12.406 2.391) 13.328 12.500 ( 2.468 16.295 -0.924) 16.506 12.864 ( -0.593 -5.817 -0.416) 5.862 13.794 ( -0.936 -11.632 0.676) 11.689 14.007 ( 1.942 5.069 -1.230) 5.566 14.915 ( 10.159 -13.931 0.147) 17.243 15.231 ( 4.253 -4.891 0.141) 6.483 15.532 ( -12.875 -12.247 -0.731) 17.784 19.415 ( 4.948 5.257 -1.118) 7.306 19.471 ( 9.463 16.451 5.342) 19.716 19.618 ( -6.848 -6.925 -2.693) 10.105 19.917 ( -6.997 -3.281 -3.738) 8.585 24.475 ( -2.767 0.955 0.556) 2.980 24.574 ( -2.578 1.629 -0.173) 3.055 ======================= Grid point 225 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 22.534 9.253 4.267) 24.731 1.376 ( 1.468 12.672 2.292) 12.961 1.688 ( -16.329 14.614 1.414) 21.959 2.043 ( 12.605 9.707 -6.720) 17.270 2.122 ( -8.888 5.153 5.560) 11.682 2.372 ( -3.648 8.994 -1.135) 9.772 2.528 ( 3.554 -1.149 0.555) 3.776 2.596 ( -4.870 11.694 -0.720) 12.688 2.693 ( -4.093 -1.713 -2.048) 4.887 2.852 ( 0.776 4.465 -2.229) 5.050 2.986 ( 0.735 -2.058 0.392) 2.220 3.173 ( 3.317 -8.883 0.821) 9.518 3.277 ( 0.065 -7.833 -0.161) 7.835 3.349 ( -2.583 -8.500 -0.673) 8.909 3.544 ( -2.854 3.054 0.523) 4.212 3.668 ( 2.967 -2.561 1.011) 4.047 3.773 ( -0.177 5.420 -4.076) 6.784 3.925 ( 2.217 -1.454 -1.061) 2.856 3.984 ( -4.279 0.212 -1.176) 4.443 4.216 ( 4.190 -0.795 1.444) 4.503 4.629 ( -1.477 -0.089 4.131) 4.388 4.665 ( 0.140 -0.970 0.179) 0.997 4.863 ( -1.165 2.336 0.647) 2.689 4.935 ( 6.189 9.120 -0.371) 11.028 5.080 ( -5.137 4.941 -1.251) 7.237 5.207 ( 0.237 2.935 -2.586) 3.919 5.307 ( -2.082 -6.008 -1.748) 6.594 5.512 ( 0.705 0.852 4.517) 4.651 5.536 ( 2.096 1.532 3.186) 4.110 5.805 ( 3.842 -0.246 -1.024) 3.984 5.930 ( 3.448 -3.469 -0.445) 4.912 5.986 ( -3.697 2.281 -0.042) 4.345 6.095 ( -3.689 -2.456 0.733) 4.492 6.306 ( -1.504 -5.651 0.843) 5.909 7.525 ( 0.993 15.612 -2.887) 15.908 8.331 ( -0.463 21.764 0.905) 21.788 9.151 ( -6.455 -2.986 0.017) 7.112 9.532 ( 0.253 15.331 -0.274) 15.335 9.995 ( -1.093 3.939 -0.346) 4.102 10.283 ( -1.156 8.527 -0.483) 8.618 10.477 ( 0.542 -0.105 0.076) 0.557 10.550 ( 2.002 -15.685 2.132) 15.956 10.917 ( 1.921 0.038 -0.389) 1.960 11.159 ( -1.318 27.465 0.258) 27.498 11.663 ( 0.959 7.679 0.023) 7.739 11.990 ( 4.425 2.872 -2.274) 5.745 12.179 ( -1.645 16.666 1.070) 16.782 12.300 ( 0.202 -5.645 0.767) 5.700 12.902 ( 0.473 1.126 0.286) 1.254 13.743 ( 0.603 22.652 -2.623) 22.811 14.152 ( 0.575 -29.505 2.713) 29.635 15.255 ( 6.252 -14.078 0.101) 15.404 15.442 ( 5.952 -14.208 0.213) 15.406 15.705 ( -11.630 -16.204 -0.413) 19.950 19.133 ( 2.032 23.602 7.115) 24.735 19.256 ( 8.653 17.935 -8.021) 21.468 19.756 ( -0.486 -9.257 -2.652) 9.641 19.971 ( -11.558 -9.661 -1.286) 15.119 24.447 ( -1.430 0.029 1.042) 1.769 24.533 ( -3.425 0.297 -0.097) 3.439 ======================= Grid point 226 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 2.518 14.027 7.100) 15.922 1.162 ( 0.155 15.024 5.700) 16.069 1.336 ( -0.961 14.072 -2.425) 14.311 1.795 ( -11.295 18.138 6.401) 22.306 1.950 ( 7.207 15.461 -4.525) 17.648 2.016 ( 2.887 25.237 -3.064) 25.586 2.313 ( -2.079 4.890 0.674) 5.356 2.717 ( -0.483 -2.721 -1.065) 2.961 2.749 ( -3.593 -7.376 -0.399) 8.215 2.813 ( 4.050 -0.962 -4.337) 6.012 3.008 ( 0.566 -0.848 0.351) 1.078 3.211 ( -0.339 10.474 -0.064) 10.480 3.390 ( 1.400 -2.424 -2.580) 3.807 3.505 ( 0.432 -9.502 0.482) 9.524 3.598 ( 3.503 -2.122 -0.368) 4.113 3.604 ( -3.187 -6.383 -0.104) 7.135 3.851 ( 6.507 -4.902 1.201) 8.235 3.910 ( -6.623 -2.081 -3.207) 7.647 4.081 ( 1.026 -8.334 0.190) 8.399 4.220 ( -1.118 1.103 1.175) 1.961 4.601 ( -2.312 4.824 3.252) 6.261 4.646 ( 1.268 0.081 0.566) 1.392 4.771 ( -2.721 6.527 0.359) 7.080 4.788 ( 4.100 9.805 -0.940) 10.670 4.959 ( 1.029 5.650 -4.188) 7.107 5.205 ( -3.916 -4.179 3.570) 6.748 5.394 ( 3.408 2.593 -2.461) 4.939 5.475 ( -0.913 -0.039 3.778) 3.887 5.539 ( -0.994 -3.919 0.491) 4.073 5.818 ( 0.103 1.091 0.594) 1.247 5.963 ( -0.932 -2.374 2.862) 3.834 6.037 ( 0.209 -7.075 -0.494) 7.095 6.160 ( 0.836 -5.342 -0.587) 5.438 6.412 ( -0.704 -6.610 1.308) 6.774 7.251 ( -0.042 15.361 -3.611) 15.780 7.919 ( -0.472 22.994 0.944) 23.018 9.188 ( -0.005 -3.902 -0.134) 3.904 9.232 ( 0.168 16.529 -0.097) 16.531 9.911 ( -0.094 4.995 -0.685) 5.043 10.099 ( -0.249 10.877 -0.203) 10.882 10.509 ( -0.208 -2.824 0.224) 2.840 10.646 ( 0.170 25.434 0.083) 25.435 10.835 ( -1.260 -12.011 3.254) 12.508 10.937 ( 2.659 -0.774 -2.125) 3.491 11.547 ( -1.171 6.481 0.252) 6.591 11.707 ( -2.071 35.900 -6.843) 36.605 11.865 ( -0.565 10.686 0.040) 10.701 12.487 ( 4.833 -9.475 -0.244) 10.639 12.857 ( 0.269 3.485 0.360) 3.514 13.355 ( -1.009 16.996 -1.659) 17.107 14.828 ( -0.622 -44.134 6.789) 44.658 15.491 ( 0.531 -10.088 -0.144) 10.103 15.740 ( 0.573 -13.543 0.039) 13.556 15.918 ( -1.146 -14.568 0.506) 14.622 18.691 ( -0.930 25.657 4.818) 26.122 18.931 ( 4.222 24.596 -12.457) 27.892 19.910 ( -6.110 -9.511 0.540) 11.317 20.060 ( -1.034 -7.065 0.227) 7.143 24.469 ( 4.172 -1.700 0.875) 4.589 24.511 ( -1.422 -0.314 -0.262) 1.480 ======================= Grid point 229 (106/141) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -3.040 0.000 -1.059) 3.219 0.974 ( 2.073 -0.000 21.784) 21.882 0.981 ( 10.274 -0.000 2.761) 10.639 1.330 ( 6.161 -0.000 -4.135) 7.420 1.525 ( 34.483 -0.000 -0.004) 34.483 2.164 ( 4.133 -0.000 -1.216) 4.308 2.416 ( 13.030 -0.000 4.140) 13.672 2.465 ( -9.887 0.000 4.015) 10.671 2.659 ( -6.370 0.000 -4.280) 7.674 2.867 ( 1.932 -0.000 -4.670) 5.053 3.111 ( 6.381 -0.000 -1.546) 6.565 3.200 ( -6.093 0.000 1.253) 6.220 3.292 ( 8.181 -0.000 -5.400) 9.803 3.448 ( -7.459 0.000 0.908) 7.514 3.652 ( -7.345 0.000 1.004) 7.413 3.735 ( -3.444 0.000 -0.372) 3.464 3.824 ( -3.777 0.000 -0.983) 3.903 3.983 ( -9.457 0.000 0.221) 9.459 4.070 ( 4.180 -0.000 -2.430) 4.835 4.077 ( -4.390 0.000 1.093) 4.524 4.292 ( -11.429 0.000 0.456) 11.438 4.662 ( 2.657 -0.000 3.793) 4.631 4.769 ( 2.081 -0.000 -0.525) 2.147 4.867 ( -1.740 0.000 -3.397) 3.816 5.073 ( 17.267 -0.000 -1.134) 17.305 5.167 ( -3.724 0.000 -1.337) 3.956 5.423 ( -5.487 0.000 11.595) 12.828 5.561 ( 9.385 -0.000 0.104) 9.386 5.671 ( -2.949 0.000 -2.328) 3.757 5.814 ( 3.425 -0.000 0.445) 3.454 5.925 ( -5.470 0.000 -1.021) 5.565 6.215 ( 7.402 -0.000 -1.947) 7.653 6.259 ( 3.310 -0.000 -1.285) 3.551 6.542 ( -5.586 0.000 4.896) 7.428 6.720 ( -6.175 0.000 -0.666) 6.210 7.411 ( 0.197 -0.000 0.960) 0.980 8.885 ( 0.143 -0.000 -0.119) 0.186 9.473 ( -1.624 0.000 -0.037) 1.624 9.860 ( 3.129 -0.000 -0.048) 3.129 10.097 ( -2.316 0.000 -0.136) 2.320 10.347 ( 9.234 -0.000 -1.753) 9.399 10.375 ( 7.896 -0.000 0.039) 7.896 10.672 ( 4.388 -0.000 0.534) 4.421 10.992 ( 7.863 -0.000 -4.632) 9.126 11.284 ( 2.745 -0.000 -4.766) 5.500 11.432 ( 1.355 -0.000 0.005) 1.355 11.528 ( -4.711 0.000 0.084) 4.712 12.682 ( -3.574 0.000 0.014) 3.574 12.793 ( 3.063 -0.000 -11.460) 11.862 13.286 ( 6.162 -0.000 2.655) 6.709 15.035 ( -21.887 0.000 1.647) 21.948 15.670 ( -5.138 0.000 3.676) 6.318 15.918 ( -18.276 0.000 5.857) 19.191 16.477 ( 10.847 -0.000 0.658) 10.867 18.076 ( 0.443 -0.000 0.293) 0.531 18.116 ( -0.128 0.000 -0.299) 0.325 20.027 ( 12.200 -0.000 3.021) 12.569 20.654 ( 11.915 -0.000 6.687) 13.663 24.621 ( 9.111 -0.000 1.835) 9.294 25.116 ( 12.397 -0.000 -15.941) 20.194 ======================= Grid point 230 (107/141) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 3.151 2.178 8.306) 9.146 0.984 ( 0.133 -7.603 5.003) 9.102 1.275 ( 4.829 -21.396 2.673) 22.097 1.501 ( 9.596 -10.577 0.458) 14.289 1.916 ( 25.761 -13.739 -0.212) 29.197 2.164 ( 0.427 1.206 -0.180) 1.292 2.441 ( -6.713 -4.196 0.713) 7.949 2.524 ( 7.840 -3.102 2.603) 8.824 2.608 ( -5.061 0.661 -4.150) 6.578 2.944 ( -5.508 -5.581 -2.143) 8.129 3.105 ( 3.059 2.267 -0.238) 3.815 3.163 ( 7.537 0.618 -1.836) 7.782 3.373 ( -2.840 2.698 1.461) 4.181 3.421 ( 0.224 -5.554 -1.957) 5.893 3.549 ( -4.967 5.118 0.673) 7.164 3.671 ( -4.076 5.212 0.280) 6.623 3.772 ( 0.550 2.600 -1.202) 2.917 3.884 ( -8.243 0.805 -1.212) 8.370 4.008 ( 0.604 0.413 0.508) 0.891 4.145 ( 1.394 -3.114 -2.228) 4.075 4.316 ( -8.755 -7.728 0.112) 11.678 4.626 ( -2.528 3.565 2.915) 5.253 4.798 ( -1.860 -0.443 1.849) 2.660 4.837 ( 0.281 0.495 -1.369) 1.482 5.101 ( 2.324 0.748 -1.890) 3.087 5.273 ( 8.960 -3.366 0.332) 9.577 5.360 ( -6.847 0.541 9.506) 11.728 5.551 ( 5.604 6.079 -0.472) 8.282 5.636 ( -2.683 1.116 -1.056) 3.092 5.867 ( -2.377 -3.503 -4.012) 5.833 5.891 ( 7.453 3.214 -1.976) 8.353 6.217 ( 1.955 3.569 3.083) 5.105 6.279 ( 6.672 2.365 -3.364) 7.837 6.470 ( -2.259 3.430 3.215) 5.216 6.814 ( -4.972 -14.593 -1.543) 15.494 7.551 ( -0.366 -14.619 1.124) 14.667 8.996 ( 0.662 -10.938 -0.050) 10.958 9.588 ( 1.299 -11.166 -0.133) 11.242 9.951 ( 2.708 -6.174 -0.148) 6.743 10.115 ( -3.304 -4.728 -0.034) 5.768 10.356 ( 3.411 -0.603 -0.295) 3.476 10.482 ( 4.560 -3.508 0.240) 5.758 10.667 ( -3.669 1.307 0.830) 3.982 11.061 ( 3.711 3.860 -7.041) 8.846 11.253 ( 3.216 -1.808 2.071) 4.231 11.536 ( -3.259 -3.749 0.207) 4.972 11.560 ( -1.137 -10.609 -2.506) 10.960 12.658 ( -1.796 -0.735 -1.772) 2.627 12.810 ( -1.960 0.059 -7.570) 7.819 13.329 ( 5.924 0.263 2.471) 6.424 14.796 ( -10.413 10.846 2.302) 15.210 15.521 ( -6.593 11.606 5.633) 14.488 15.690 ( -10.369 9.389 0.978) 14.022 16.503 ( 9.735 6.231 0.112) 11.558 18.230 ( -1.144 -14.395 -0.700) 14.458 18.264 ( -4.042 -16.364 -0.350) 16.859 20.112 ( 13.564 2.121 1.427) 13.803 20.679 ( 9.803 6.559 4.703) 12.697 24.679 ( 8.958 1.837 3.117) 9.661 25.113 ( 8.354 8.230 -12.201) 16.923 ======================= Grid point 231 (108/141) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -3.612 1.345 10.582) 11.262 1.152 ( 14.578 -3.518 -1.342) 15.056 1.712 ( 9.336 -18.030 4.446) 20.785 1.741 ( -1.416 -10.749 1.190) 10.907 2.106 ( -0.200 1.584 -0.158) 1.604 2.350 ( 9.703 -11.931 0.480) 15.386 2.519 ( -1.179 -9.028 -4.938) 10.358 2.564 ( -4.776 -2.252 -3.711) 6.454 2.658 ( 0.754 -7.403 0.548) 7.462 2.897 ( -3.711 3.356 1.891) 5.349 3.158 ( 2.157 -0.535 -2.857) 3.620 3.180 ( 0.746 2.208 0.124) 2.334 3.355 ( 2.215 1.314 1.523) 2.992 3.362 ( -6.952 5.813 -0.245) 9.065 3.504 ( 0.433 -0.402 0.892) 1.070 3.574 ( 1.436 -0.606 1.177) 1.954 3.784 ( 3.752 -0.422 -1.421) 4.034 3.851 ( -1.519 -2.647 -0.412) 3.080 4.057 ( -1.219 -5.050 0.597) 5.230 4.204 ( 7.271 1.790 -4.900) 8.949 4.351 ( -9.483 -4.443 -0.767) 10.500 4.536 ( -4.459 2.174 4.626) 6.783 4.760 ( -6.592 -0.788 1.557) 6.819 4.854 ( -1.138 -1.679 0.140) 2.034 5.113 ( 1.631 1.016 -1.145) 2.237 5.224 ( -5.625 2.969 5.840) 8.635 5.421 ( 3.335 -1.320 0.558) 3.630 5.542 ( 9.208 0.042 1.991) 9.421 5.592 ( -2.021 1.343 0.345) 2.451 5.820 ( 2.952 4.961 -9.920) 11.477 5.972 ( 3.846 -3.419 0.158) 5.149 6.138 ( -0.357 5.398 3.588) 6.491 6.279 ( 4.688 2.951 -2.778) 6.197 6.402 ( -0.841 2.923 2.611) 4.009 7.115 ( -1.906 -21.043 -1.917) 21.216 7.880 ( -1.071 -21.858 1.267) 21.921 9.200 ( -1.258 -9.188 0.053) 9.274 9.789 ( 6.901 -5.473 -0.178) 8.810 10.060 ( 4.380 -2.902 -0.632) 5.292 10.227 ( 0.432 -7.874 0.372) 7.895 10.448 ( -5.434 -11.825 0.176) 13.015 10.564 ( -3.794 5.419 0.079) 6.615 10.649 ( 5.821 -8.508 0.510) 10.322 10.978 ( 0.241 1.221 -4.171) 4.353 11.360 ( -3.364 -6.934 1.535) 7.858 11.587 ( -1.514 -3.381 0.556) 3.745 11.768 ( -4.063 -15.785 -1.071) 16.334 12.674 ( 0.957 0.092 -4.117) 4.228 12.783 ( -2.652 -1.682 0.090) 3.142 13.371 ( -0.015 -2.387 0.700) 2.488 14.520 ( 0.590 15.600 1.139) 15.653 15.214 ( -6.355 15.472 3.667) 17.124 15.435 ( -6.774 12.064 -0.648) 13.851 16.410 ( 7.689 11.983 -0.068) 14.238 18.509 ( -3.690 -18.194 1.317) 18.611 18.557 ( -6.876 -20.221 -2.466) 21.499 20.158 ( 12.469 4.616 0.664) 13.313 20.594 ( 8.319 10.692 2.209) 13.727 24.691 ( 6.636 3.869 3.294) 8.357 24.997 ( 5.828 10.277 -7.405) 13.943 ======================= Grid point 232 (109/141) ======================= q-point: ( 0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.302 -3.738 4.729) 6.453 1.364 ( 21.632 -4.548 -0.962) 22.126 1.789 ( -2.201 0.243 2.544) 3.373 2.000 ( 3.868 -0.662 5.015) 6.368 2.157 ( 3.161 -12.001 -2.476) 12.655 2.440 ( -6.364 -1.817 -4.421) 7.959 2.645 ( -0.361 -2.805 1.948) 3.434 2.722 ( 0.429 -7.540 -1.621) 7.724 2.779 ( -0.257 -9.463 -3.489) 10.089 2.843 ( 4.275 0.893 0.146) 4.369 3.102 ( 0.341 5.653 0.355) 5.674 3.126 ( -9.401 3.640 1.999) 10.277 3.194 ( -6.300 4.434 -1.402) 7.830 3.312 ( -5.478 -2.612 0.683) 6.107 3.588 ( -0.568 -2.728 0.725) 2.879 3.634 ( 5.669 -2.678 0.373) 6.281 3.806 ( 2.793 0.034 -1.474) 3.158 3.962 ( 8.868 -3.551 -0.918) 9.597 4.115 ( 2.272 4.239 -1.150) 4.945 4.160 ( -2.695 -0.160 0.669) 2.781 4.359 ( -1.855 -0.737 -2.700) 3.357 4.527 ( -5.316 -6.874 5.017) 10.034 4.736 ( -9.582 -3.864 2.505) 10.631 4.869 ( -4.178 -3.032 -3.240) 6.095 5.079 ( 2.413 4.199 1.434) 5.051 5.198 ( 0.783 -2.460 2.589) 3.656 5.440 ( 1.103 0.163 2.089) 2.368 5.559 ( -0.900 -0.268 4.496) 4.593 5.609 ( 9.947 4.554 -0.266) 10.943 5.776 ( 4.459 2.809 -9.292) 10.682 6.035 ( 3.315 3.850 -1.541) 5.309 6.065 ( 0.371 -1.996 2.653) 3.340 6.236 ( -0.251 3.948 -2.375) 4.614 6.347 ( -3.014 1.642 2.399) 4.188 7.486 ( 0.241 -20.167 -1.262) 20.207 8.274 ( -1.392 -22.537 1.336) 22.619 9.257 ( -5.553 -1.638 0.032) 5.789 9.861 ( 8.219 3.742 0.005) 9.031 10.095 ( 2.039 2.990 -0.284) 3.630 10.357 ( -1.478 7.624 0.115) 7.767 10.454 ( 3.767 -9.267 -0.194) 10.005 10.629 ( 7.098 -6.612 -0.709) 9.726 10.793 ( -2.521 -4.845 -0.315) 5.470 11.175 ( -4.235 -21.503 -0.467) 21.921 11.439 ( -5.652 -7.235 -0.277) 9.186 11.618 ( -2.164 -1.775 0.880) 2.935 12.057 ( -2.649 -18.931 0.134) 19.116 12.675 ( 6.083 0.423 -1.670) 6.323 12.848 ( -0.206 -4.687 0.559) 4.724 13.428 ( -7.921 -8.102 0.177) 11.333 14.241 ( 3.540 18.124 -0.049) 18.467 14.909 ( -3.104 13.441 1.957) 13.933 15.173 ( -5.941 10.527 -0.807) 12.115 16.201 ( 5.204 17.137 -0.150) 17.911 18.799 ( -4.657 -17.897 1.341) 18.541 18.854 ( -6.583 -19.091 -1.973) 20.290 20.139 ( 9.950 7.681 0.782) 12.594 20.441 ( 6.706 12.929 0.205) 14.566 24.651 ( 3.603 4.993 2.684) 6.716 24.857 ( 3.219 9.168 -4.255) 10.607 ======================= Grid point 233 (110/141) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 13.689 -7.154 -0.735) 15.464 1.645 ( 21.616 -6.424 -0.700) 22.562 1.765 ( -1.520 -0.587 2.484) 2.971 1.993 ( 2.199 0.363 1.794) 2.861 2.361 ( -2.365 -3.207 -1.529) 4.268 2.443 ( 1.258 -5.046 -2.349) 5.706 2.577 ( 0.323 7.709 0.720) 7.750 2.765 ( -1.886 2.560 0.595) 3.235 2.828 ( 0.634 2.426 -0.412) 2.541 2.926 ( -7.026 4.362 3.168) 8.855 2.999 ( 0.763 -8.181 -3.716) 9.018 3.061 ( -7.023 -0.466 -1.533) 7.203 3.132 ( -5.408 -4.535 0.448) 7.072 3.347 ( -4.947 -3.696 1.727) 6.412 3.561 ( -7.511 0.767 -1.847) 7.773 3.727 ( 7.337 -0.136 -0.262) 7.343 3.812 ( 3.285 2.603 -0.276) 4.200 3.931 ( 1.219 5.759 -0.803) 5.941 4.074 ( -2.997 7.117 1.979) 7.972 4.169 ( 6.247 -4.823 -0.543) 7.910 4.389 ( -3.507 -4.384 -1.313) 5.765 4.644 ( -5.058 -9.225 3.649) 11.136 4.799 ( -3.878 -9.676 1.397) 10.517 4.918 ( -1.884 -5.291 -4.142) 6.978 4.991 ( 1.797 7.592 0.708) 7.834 5.294 ( 3.516 -4.868 3.097) 6.757 5.438 ( 0.347 0.734 4.165) 4.243 5.529 ( 5.743 7.431 -4.946) 10.614 5.614 ( 3.799 -1.061 7.122) 8.141 5.753 ( 4.963 4.075 -5.143) 8.228 6.000 ( 7.453 4.144 -2.696) 8.944 6.089 ( -4.781 0.756 -0.324) 4.851 6.159 ( -2.921 1.132 -0.493) 3.172 6.289 ( -5.182 1.340 1.545) 5.571 7.787 ( 0.671 -11.907 -0.673) 11.945 8.605 ( -2.484 -14.385 1.322) 14.658 9.251 ( -3.958 -3.609 0.040) 5.357 9.824 ( 6.473 5.406 0.184) 8.436 9.977 ( -2.773 8.542 -0.144) 8.982 10.204 ( -0.062 5.688 -0.255) 5.695 10.633 ( 5.813 -2.516 -0.845) 6.390 10.797 ( 9.693 -2.399 -0.085) 9.986 10.840 ( -1.643 -2.795 -0.280) 3.254 11.402 ( -11.952 -11.671 0.598) 16.716 11.587 ( -0.319 -6.523 0.319) 6.539 11.645 ( -2.538 -7.577 -0.291) 7.996 12.362 ( -1.250 -16.302 0.291) 16.352 12.783 ( 9.461 -2.666 -0.256) 9.833 12.886 ( 0.654 1.571 -0.089) 1.704 13.554 ( -9.054 -14.487 0.333) 17.086 13.936 ( 0.651 16.578 -0.243) 16.592 14.737 ( 2.503 4.552 0.923) 5.276 15.016 ( -5.004 0.913 -0.767) 5.144 15.893 ( 2.264 20.413 -0.309) 20.541 19.068 ( -3.480 -15.868 0.755) 16.262 19.130 ( -4.826 -17.027 -1.019) 17.727 20.036 ( 6.711 11.442 1.895) 13.399 20.246 ( 4.375 13.808 -1.912) 14.610 24.580 ( 1.117 4.826 1.776) 5.262 24.727 ( 0.672 7.103 -2.268) 7.486 ======================= Grid point 234 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 15.948 -5.064 -2.279) 16.887 1.729 ( -0.371 3.309 1.805) 3.787 1.919 ( 8.408 -7.462 2.096) 11.436 2.090 ( 12.853 -4.616 -0.701) 13.675 2.301 ( -6.359 3.698 -1.303) 7.471 2.347 ( -3.527 12.149 -0.945) 12.686 2.591 ( 0.653 -1.030 0.260) 1.247 2.667 ( -7.038 1.864 0.980) 7.347 2.711 ( -5.283 -1.331 -0.248) 5.454 2.934 ( 4.389 -1.210 1.049) 4.672 3.036 ( -4.923 -0.816 -1.625) 5.249 3.104 ( 1.716 -2.965 -1.050) 3.584 3.157 ( -4.416 -1.080 0.056) 4.546 3.299 ( -3.911 6.616 -0.304) 7.692 3.489 ( -4.487 -1.004 -0.778) 4.663 3.705 ( 1.977 3.867 0.309) 4.354 3.759 ( -3.679 2.162 0.221) 4.273 3.919 ( 0.310 2.358 -1.732) 2.942 4.039 ( 5.623 -6.203 2.250) 8.670 4.241 ( 1.482 1.225 0.426) 1.969 4.462 ( -1.523 -6.416 -1.082) 6.683 4.755 ( -3.366 -6.415 2.322) 7.607 4.835 ( -0.819 7.843 0.700) 7.916 4.960 ( 2.531 -6.292 -0.965) 6.850 5.022 ( -0.943 -6.183 -3.022) 6.946 5.363 ( 1.275 3.373 1.242) 3.814 5.415 ( -0.942 0.198 0.714) 1.198 5.449 ( 4.513 3.860 1.469) 6.118 5.635 ( 4.469 2.521 3.632) 6.287 5.767 ( 5.300 -0.933 0.775) 5.437 5.961 ( -0.172 5.206 -7.803) 9.381 5.993 ( -4.112 1.771 2.568) 5.161 6.164 ( 0.533 -1.483 0.036) 1.577 6.214 ( -5.277 2.426 1.125) 5.916 7.888 ( 0.205 1.058 -0.839) 1.366 8.719 ( -2.745 -1.717 1.030) 3.398 9.263 ( -0.924 3.933 0.407) 4.061 9.805 ( 1.704 2.841 -0.203) 3.319 9.903 ( -0.026 -7.936 0.305) 7.942 10.125 ( -0.217 3.804 -0.199) 3.815 10.629 ( 2.109 6.037 -0.335) 6.404 10.770 ( 2.932 10.754 0.027) 11.146 10.878 ( -0.169 -2.567 -0.465) 2.614 11.524 ( -4.563 -7.036 -0.088) 8.387 11.632 ( -0.404 -5.128 1.879) 5.476 11.820 ( 0.256 -9.548 -0.800) 9.585 12.570 ( -0.402 -0.901 0.290) 1.029 12.744 ( 2.960 8.613 0.775) 9.140 12.790 ( -0.263 8.476 -1.071) 8.548 13.725 ( 1.600 2.740 0.034) 3.173 13.847 ( -3.918 -17.810 0.129) 18.236 14.796 ( 5.374 -6.937 0.259) 8.779 15.080 ( -2.995 -11.234 -0.503) 11.637 15.542 ( -1.228 17.846 -0.596) 17.898 19.303 ( -1.432 -12.619 0.567) 12.713 19.384 ( -1.873 -14.468 -0.773) 14.609 19.836 ( 3.942 15.696 4.272) 16.738 20.023 ( 0.352 13.327 -4.993) 14.236 24.507 ( 0.040 3.649 0.992) 3.781 24.619 ( -0.908 4.793 -1.015) 4.982 ======================= Grid point 235 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 4.568 -1.288 -0.553) 4.778 1.579 ( -2.804 11.197 1.979) 11.711 1.951 ( -0.827 21.166 0.071) 21.183 2.075 ( -3.114 -3.855 4.921) 6.984 2.253 ( 2.997 2.129 -3.864) 5.334 2.287 ( -0.100 -6.071 -1.886) 6.358 2.560 ( 2.183 3.360 3.688) 5.446 2.600 ( -4.809 -1.643 -0.769) 5.140 2.839 ( -1.098 -9.371 -0.759) 9.466 2.907 ( 2.167 14.233 -2.466) 14.607 2.953 ( -1.049 1.969 0.194) 2.240 3.112 ( -0.008 0.663 1.721) 1.845 3.175 ( 1.924 -4.687 -2.403) 5.607 3.219 ( 1.192 -2.172 -1.617) 2.958 3.528 ( -0.984 -3.406 2.157) 4.150 3.659 ( 1.908 1.462 -0.228) 2.415 3.748 ( -3.003 -3.184 -0.830) 4.455 3.894 ( -1.377 -0.435 -0.882) 1.692 4.139 ( 2.409 9.063 -0.854) 9.417 4.202 ( 1.113 -3.602 -0.447) 3.796 4.563 ( -1.893 -5.096 2.023) 5.801 4.705 ( 2.351 4.438 0.545) 5.051 4.838 ( -0.699 -3.447 0.483) 3.550 5.028 ( -1.813 0.288 0.551) 1.917 5.121 ( 1.814 -4.573 -2.838) 5.680 5.248 ( 1.256 6.238 -2.259) 6.752 5.328 ( -2.460 8.110 -0.619) 8.498 5.482 ( -0.947 -2.261 3.621) 4.373 5.622 ( 4.394 2.663 6.451) 8.247 5.799 ( -5.520 -1.144 1.177) 5.759 5.891 ( -2.374 -1.533 -3.550) 4.538 5.984 ( 4.083 0.306 -2.129) 4.615 6.113 ( 0.222 4.639 1.081) 4.768 6.221 ( 0.516 -3.444 0.362) 3.501 7.773 ( 0.145 11.064 -1.930) 11.232 8.633 ( -0.274 11.006 1.140) 11.068 9.140 ( 0.039 5.094 0.275) 5.101 9.736 ( -0.211 6.768 -0.269) 6.777 10.056 ( -0.638 3.230 0.264) 3.303 10.181 ( 0.869 -17.861 0.276) 17.885 10.493 ( -0.248 8.331 0.445) 8.347 10.570 ( 0.028 9.983 -0.111) 9.984 10.912 ( 0.153 -1.122 -0.510) 1.242 11.490 ( 0.305 8.619 0.156) 8.626 11.760 ( 0.033 -2.792 1.473) 3.157 11.965 ( -0.910 -5.684 -0.948) 5.834 12.289 ( 0.853 15.232 1.669) 15.347 12.524 ( 0.410 16.581 -1.565) 16.660 12.854 ( -0.674 -6.649 0.603) 6.710 13.782 ( -0.371 -10.528 1.312) 10.616 14.021 ( 0.057 2.555 -1.428) 2.927 15.022 ( 0.328 -14.361 -0.217) 14.367 15.334 ( 3.471 0.892 -0.531) 3.623 15.339 ( -3.475 -17.041 -0.215) 17.393 19.468 ( -2.530 2.420 0.473) 3.533 19.497 ( 1.121 5.263 2.470) 5.921 19.654 ( 7.318 0.293 0.194) 7.327 19.802 ( -6.412 4.452 -5.082) 9.314 24.461 ( 1.048 1.701 0.398) 2.037 24.546 ( -0.643 2.622 -0.271) 2.714 ======================= Grid point 236 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -8.457 13.496 3.105) 16.226 1.320 ( -15.336 8.703 1.191) 17.674 1.704 ( 22.258 13.679 0.661) 26.134 1.912 ( -16.960 10.227 5.313) 20.505 2.228 ( 7.322 7.359 -4.818) 11.444 2.348 ( 2.656 5.720 1.187) 6.417 2.501 ( -5.392 7.076 2.476) 9.234 2.580 ( 1.712 0.991 1.052) 2.241 2.705 ( 5.230 3.122 -3.408) 6.979 2.859 ( -0.144 2.868 -2.685) 3.931 2.994 ( 0.324 -2.565 -0.275) 2.600 3.187 ( -1.310 -7.941 -0.503) 8.064 3.306 ( 2.205 -7.486 -2.664) 8.247 3.342 ( 1.996 -8.630 -0.353) 8.865 3.512 ( -0.462 2.961 3.836) 4.868 3.730 ( -2.052 -5.969 -3.770) 7.352 3.743 ( 3.107 5.211 -1.545) 6.261 3.930 ( -1.676 -3.360 -1.353) 3.991 3.976 ( 3.447 4.900 -1.249) 6.119 4.221 ( -3.792 0.590 0.848) 3.930 4.598 ( -1.801 -2.098 5.128) 5.825 4.696 ( 3.359 1.663 -0.901) 3.854 4.845 ( -2.028 3.625 1.257) 4.340 4.977 ( -1.067 3.885 -2.239) 4.609 5.066 ( 3.497 8.602 -0.807) 9.321 5.151 ( -5.294 2.714 2.449) 6.433 5.320 ( 2.723 -6.850 -2.587) 7.812 5.487 ( -2.316 -0.517 5.413) 5.910 5.587 ( 2.057 4.731 0.152) 5.161 5.784 ( -4.953 -2.631 0.367) 5.621 5.914 ( -3.093 -2.066 0.746) 3.793 5.992 ( 2.571 0.780 -0.552) 2.743 6.116 ( 5.094 -1.665 -0.921) 5.438 6.305 ( 1.519 -5.248 0.928) 5.542 7.528 ( -0.621 15.665 -3.146) 15.990 8.325 ( -0.246 21.820 1.472) 21.871 9.153 ( 6.595 -3.002 -0.130) 7.247 9.530 ( -0.457 15.174 -0.120) 15.181 9.992 ( 0.753 3.805 -0.106) 3.881 10.283 ( 1.161 9.107 -0.472) 9.192 10.475 ( -0.565 -0.102 0.227) 0.617 10.552 ( -1.842 -15.853 1.857) 16.067 10.922 ( -1.353 -0.211 -0.803) 1.588 11.165 ( 2.039 27.382 -0.233) 27.459 11.663 ( -0.962 7.859 -0.014) 7.917 11.945 ( -8.310 3.135 1.684) 9.041 12.165 ( -0.140 17.410 1.528) 17.477 12.370 ( 6.786 -7.271 -4.674) 10.989 12.894 ( -1.418 0.762 1.043) 1.918 13.724 ( -2.742 21.637 -0.816) 21.826 14.158 ( 0.140 -27.877 2.009) 27.950 15.259 ( -5.887 -14.092 -0.267) 15.275 15.446 ( -5.955 -14.180 -0.135) 15.380 15.700 ( 11.555 -16.045 0.021) 19.773 19.103 ( -5.045 22.372 5.769) 23.648 19.342 ( -0.612 20.159 -12.502) 23.729 19.704 ( -4.205 -8.273 2.618) 9.642 19.945 ( 8.765 -10.390 1.262) 13.652 24.469 ( 2.528 -0.551 -0.978) 2.766 24.528 ( 4.186 -0.007 0.434) 4.208 ======================= Grid point 240 (114/141) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -13.766 0.000 -1.124) 13.811 1.136 ( 16.998 -0.000 18.741) 25.302 1.173 ( 6.720 -0.000 -3.702) 7.672 1.486 ( 15.225 -0.000 4.781) 15.958 2.001 ( 24.274 -0.000 -1.297) 24.309 2.181 ( -0.060 0.000 0.221) 0.229 2.343 ( -4.701 0.000 0.102) 4.703 2.491 ( -7.451 0.000 -4.293) 8.599 2.642 ( 5.075 -0.000 0.815) 5.140 2.818 ( -9.691 0.000 -4.164) 10.547 3.142 ( 0.418 -0.000 1.273) 1.340 3.204 ( 2.804 -0.000 -1.189) 3.046 3.382 ( 0.744 -0.000 1.448) 1.628 3.443 ( 13.020 -0.000 -0.630) 13.035 3.526 ( -8.216 0.000 1.894) 8.432 3.689 ( -2.640 0.000 -0.702) 2.732 3.799 ( -0.275 0.000 -2.874) 2.887 3.865 ( -3.560 0.000 0.579) 3.607 3.976 ( -8.947 0.000 0.228) 8.950 4.148 ( -5.567 0.000 0.834) 5.629 4.175 ( 8.659 -0.000 -4.111) 9.586 4.626 ( -7.048 0.000 3.964) 8.086 4.811 ( -4.453 0.000 -1.594) 4.729 4.813 ( 3.147 -0.000 -0.417) 3.175 5.099 ( -3.963 0.000 -0.507) 3.995 5.296 ( -11.266 0.000 9.102) 14.483 5.334 ( 14.751 -0.000 -0.835) 14.774 5.625 ( -2.848 0.000 0.787) 2.955 5.702 ( 8.056 -0.000 0.033) 8.056 5.770 ( -4.362 0.000 -5.220) 6.802 5.974 ( 5.893 -0.000 -3.442) 6.824 6.230 ( -4.251 0.000 5.421) 6.889 6.393 ( 10.619 -0.000 -5.611) 12.010 6.505 ( 1.615 -0.000 3.620) 3.964 6.620 ( -5.902 0.000 -0.819) 5.959 7.413 ( -0.034 0.000 1.051) 1.051 8.890 ( 0.539 -0.000 -0.075) 0.544 9.435 ( -3.108 0.000 -0.039) 3.108 9.907 ( 2.716 -0.000 -0.045) 2.717 10.068 ( -1.319 0.000 -0.125) 1.325 10.340 ( -5.347 0.000 0.192) 5.350 10.524 ( 10.818 -0.000 0.019) 10.818 10.655 ( -3.092 0.000 0.335) 3.110 11.155 ( 8.201 -0.000 -2.031) 8.449 11.310 ( 0.724 -0.000 -5.375) 5.424 11.373 ( -8.360 0.000 0.043) 8.360 11.515 ( 2.499 -0.000 0.052) 2.500 12.621 ( -3.906 0.000 0.005) 3.906 12.795 ( -2.768 0.000 -8.433) 8.876 13.395 ( 7.199 -0.000 2.486) 7.617 14.821 ( -5.447 0.000 0.953) 5.530 15.576 ( -8.487 0.000 7.896) 11.592 15.694 ( -8.480 0.000 -0.971) 8.536 16.629 ( 7.856 -0.000 0.220) 7.859 18.083 ( 0.446 -0.000 0.284) 0.529 18.114 ( -0.133 0.000 -0.290) 0.319 20.238 ( 12.998 -0.000 0.771) 13.021 20.805 ( 7.138 -0.000 3.980) 8.172 24.771 ( 8.973 -0.000 4.549) 10.061 25.239 ( 4.163 -0.000 -12.913) 13.568 ======================= Grid point 241 (115/141) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -7.621 -26.064 1.855) 27.219 1.000 ( 4.612 10.008 3.457) 11.550 1.469 ( 16.815 -10.818 5.137) 20.644 1.694 ( 14.169 -6.599 6.758) 17.029 2.146 ( 0.394 1.833 0.778) 2.030 2.258 ( 14.049 -7.631 -0.522) 15.996 2.378 ( -0.536 -5.866 -4.631) 7.493 2.456 ( -10.169 -3.879 -5.386) 12.144 2.596 ( -3.462 2.280 -0.247) 4.152 2.811 ( -10.181 -5.456 -0.881) 11.584 3.158 ( 2.901 0.058 -0.308) 2.918 3.196 ( -2.297 1.657 -0.400) 2.861 3.403 ( 4.729 0.381 2.206) 5.232 3.479 ( -2.836 -1.318 2.315) 3.891 3.526 ( 11.262 5.877 -0.049) 12.703 3.613 ( -3.277 4.477 0.122) 5.550 3.788 ( -1.335 0.193 -2.173) 2.557 3.820 ( 3.858 -0.411 0.043) 3.880 3.954 ( -5.948 -3.901 1.010) 7.185 4.190 ( 0.663 -6.233 -0.859) 6.327 4.267 ( 4.758 -1.373 -3.900) 6.303 4.540 ( -8.116 2.027 3.710) 9.151 4.750 ( -2.756 2.057 -1.999) 3.978 4.825 ( -2.258 1.282 0.593) 2.663 5.100 ( -0.147 -2.571 -0.927) 2.737 5.185 ( -12.350 1.055 7.351) 14.411 5.459 ( 9.590 -1.159 -0.696) 9.685 5.583 ( -3.189 1.805 3.859) 5.322 5.635 ( 3.589 3.585 -3.231) 6.014 5.856 ( 1.012 -3.004 -4.741) 5.704 5.994 ( 5.209 1.653 -3.471) 6.474 6.167 ( -5.806 2.043 4.851) 7.837 6.415 ( 8.106 4.532 -3.760) 10.019 6.475 ( 2.093 4.618 3.633) 6.237 6.754 ( -2.399 -16.327 -1.507) 16.571 7.545 ( -0.332 -14.061 1.058) 14.105 9.009 ( 0.928 -10.906 -0.009) 10.945 9.576 ( -2.230 -16.301 -0.072) 16.453 9.989 ( 2.022 -6.573 -0.039) 6.877 10.073 ( -1.754 -3.122 -0.075) 3.582 10.306 ( -5.270 -1.449 0.191) 5.469 10.600 ( 1.434 1.571 -0.223) 2.139 10.644 ( 6.647 -1.251 0.477) 6.780 11.090 ( -0.423 8.370 -3.235) 8.984 11.288 ( 1.075 -0.661 -0.249) 1.287 11.460 ( -4.637 -10.834 -1.741) 11.912 11.563 ( 0.641 -3.021 0.131) 3.091 12.623 ( -2.262 -3.322 -0.603) 4.064 12.755 ( -4.189 0.970 -3.972) 5.854 13.418 ( 4.777 3.050 1.413) 5.841 14.732 ( 0.868 7.687 0.216) 7.739 15.398 ( -8.694 10.412 6.102) 14.874 15.574 ( -4.076 8.136 -1.583) 9.236 16.627 ( 5.907 6.265 0.122) 8.612 18.213 ( -1.255 -13.172 -0.654) 13.248 18.221 ( -1.351 -11.466 0.371) 11.551 20.313 ( 10.933 2.334 0.366) 11.185 20.799 ( 5.424 5.934 2.288) 8.359 24.810 ( 6.947 2.920 4.813) 8.942 25.193 ( 2.555 7.132 -9.768) 12.361 ======================= Grid point 242 (116/141) ======================= q-point: ( 0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 3.570 3.221 4.653) 6.691 1.347 ( 7.188 -19.630 0.413) 20.909 1.741 ( 7.514 -3.878 -0.171) 8.457 1.911 ( 10.658 -10.760 6.396) 16.440 2.088 ( -1.998 3.492 0.721) 4.087 2.355 ( -10.120 -0.420 -4.820) 11.217 2.525 ( 2.095 -9.164 1.956) 9.602 2.551 ( 4.447 -10.689 -5.880) 12.985 2.634 ( -2.273 -7.469 -1.439) 7.938 2.823 ( -5.887 -4.368 0.375) 7.340 3.103 ( -6.625 3.521 0.605) 7.527 3.164 ( -0.710 1.236 -1.057) 1.775 3.321 ( -2.136 14.473 0.336) 14.634 3.382 ( 3.237 5.857 0.948) 6.758 3.534 ( -1.033 -2.782 2.217) 3.704 3.628 ( 5.720 -2.621 0.019) 6.292 3.813 ( 2.151 -1.237 -1.622) 2.964 3.920 ( 4.303 -5.936 0.384) 7.341 4.052 ( 4.880 -7.753 2.124) 9.404 4.232 ( -3.441 2.052 -0.912) 4.109 4.335 ( 4.774 -2.652 -5.406) 7.684 4.445 ( -7.023 1.493 5.384) 8.974 4.677 ( -2.871 4.812 0.680) 5.645 4.778 ( -6.448 -1.874 -3.222) 7.447 5.100 ( -4.020 -1.660 5.923) 7.349 5.161 ( -0.335 -1.986 -1.063) 2.277 5.478 ( 3.481 2.661 2.318) 4.956 5.539 ( -3.019 -0.069 3.522) 4.639 5.702 ( 7.554 -3.252 -1.345) 8.334 5.840 ( 0.426 3.821 -9.827) 10.552 6.034 ( 3.002 -1.526 -0.051) 3.368 6.090 ( -4.070 1.443 3.018) 5.268 6.367 ( 4.582 7.797 -2.807) 9.469 6.389 ( -0.171 4.596 3.345) 5.687 7.098 ( -0.379 -22.252 -1.058) 22.280 7.866 ( -0.587 -21.389 1.052) 21.423 9.178 ( -1.319 -5.347 0.069) 5.508 9.846 ( 1.285 -10.678 -0.135) 10.756 10.143 ( 5.673 -5.481 -0.374) 7.897 10.234 ( 0.691 -12.463 0.182) 12.484 10.347 ( -6.642 -13.957 0.158) 15.457 10.520 ( -1.693 6.100 0.119) 6.331 10.728 ( 3.232 -1.555 -0.210) 3.592 10.995 ( 1.551 0.193 -1.293) 2.028 11.310 ( -2.584 -2.860 -1.671) 4.201 11.583 ( 0.341 -1.621 0.401) 1.704 11.706 ( -3.046 -17.012 -0.023) 17.282 12.686 ( 0.898 -2.519 -2.195) 3.460 12.737 ( -3.130 -4.564 0.669) 5.575 13.370 ( -0.027 3.719 0.611) 3.769 14.560 ( 3.335 13.821 -0.285) 14.221 15.125 ( -4.578 13.374 3.510) 14.565 15.349 ( -3.744 12.899 -1.295) 13.494 16.501 ( 3.793 12.253 0.021) 12.827 18.462 ( -2.118 -16.440 0.693) 16.591 18.480 ( -2.960 -17.856 -1.051) 18.130 20.323 ( 7.913 5.028 0.320) 9.380 20.692 ( 3.954 10.089 0.748) 10.862 24.778 ( 4.128 5.394 4.099) 7.934 25.053 ( 1.647 9.909 -6.380) 11.900 ======================= Grid point 243 (117/141) ======================= q-point: ( 0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 6.623 -7.911 -1.445) 10.418 1.712 ( 13.296 -10.119 2.730) 16.930 1.765 ( 7.517 2.293 -0.365) 7.867 2.005 ( -4.539 1.432 1.325) 4.941 2.173 ( -7.014 -8.658 -0.199) 11.144 2.329 ( -1.825 -7.258 -2.745) 7.971 2.656 ( 1.179 -3.202 4.957) 6.018 2.754 ( -1.044 -7.017 -1.680) 7.290 2.788 ( 7.057 -8.357 -5.991) 12.471 2.883 ( -5.740 -5.122 1.088) 7.769 2.979 ( -0.892 5.570 0.212) 5.645 3.048 ( -4.599 9.537 0.172) 10.589 3.087 ( -5.801 5.659 -1.149) 8.185 3.333 ( 5.067 1.851 2.127) 5.798 3.520 ( -5.747 0.588 -0.312) 5.786 3.735 ( 4.986 -3.628 0.105) 6.167 3.840 ( -0.070 -0.392 -0.029) 0.399 4.072 ( 3.284 -4.664 -0.222) 5.708 4.120 ( -0.861 3.924 -0.757) 4.088 4.177 ( 3.497 5.290 1.736) 6.575 4.347 ( 0.124 1.354 -3.260) 3.532 4.478 ( -0.273 -9.122 4.727) 10.277 4.590 ( -6.925 -4.027 0.602) 8.033 4.804 ( -2.995 -4.693 -4.273) 7.018 5.107 ( 1.029 3.209 2.372) 4.121 5.218 ( 1.543 -5.944 0.744) 6.186 5.460 ( 0.869 1.629 6.344) 6.608 5.550 ( -0.633 -2.495 2.744) 3.762 5.741 ( 5.840 6.347 -3.002) 9.132 5.803 ( -0.803 -0.924 -7.824) 7.919 6.058 ( -0.747 -1.799 -0.229) 1.961 6.081 ( 1.640 0.552 2.719) 3.223 6.227 ( -1.883 7.858 -0.846) 8.125 6.308 ( -0.009 4.645 0.293) 4.655 7.491 ( 0.180 -20.707 -0.481) 20.713 8.258 ( -0.510 -21.984 1.108) 22.018 9.189 ( -2.391 -0.109 0.009) 2.394 9.948 ( 2.896 0.584 -0.137) 2.958 10.114 ( 0.432 8.269 -0.028) 8.280 10.334 ( -1.003 8.851 -0.003) 8.907 10.523 ( 3.469 -14.284 -0.042) 14.699 10.688 ( -0.165 -13.696 -0.614) 13.711 10.791 ( 2.176 -7.193 -0.188) 7.517 11.103 ( -3.266 -10.327 0.174) 10.833 11.380 ( -2.189 -8.954 -1.532) 9.344 11.596 ( -0.526 -0.520 0.658) 0.990 12.031 ( -0.638 -19.728 0.159) 19.739 12.755 ( 3.105 -5.217 -0.356) 6.081 12.838 ( -0.816 -6.040 0.027) 6.094 13.330 ( -3.466 -2.478 0.329) 4.273 14.286 ( 1.585 19.124 -0.353) 19.193 14.886 ( -0.008 10.625 1.751) 10.768 15.097 ( -3.128 10.955 -0.975) 11.434 16.255 ( 1.688 17.674 -0.105) 17.755 18.752 ( -1.117 -17.238 0.336) 17.278 18.781 ( -2.701 -18.294 -0.580) 18.502 20.256 ( 4.364 8.183 0.687) 9.300 20.511 ( 1.953 12.713 -0.492) 12.871 24.695 ( 1.835 6.338 2.852) 7.188 24.883 ( 0.197 9.652 -3.768) 10.363 ======================= Grid point 244 (118/141) ======================= q-point: (-0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 2.745 -11.289 -4.644) 12.512 1.740 ( -0.451 0.061 1.706) 1.765 1.897 ( 3.393 -0.261 -1.187) 3.604 2.100 ( 13.713 -6.851 2.568) 15.543 2.147 ( -18.510 -5.387 -1.459) 19.333 2.504 ( -0.853 -8.403 0.731) 8.478 2.594 ( 1.095 13.647 0.315) 13.695 2.717 ( -0.798 1.090 1.118) 1.753 2.797 ( 1.086 12.906 0.551) 12.963 2.934 ( 1.764 -2.408 1.711) 3.441 2.963 ( -4.252 -2.270 -1.774) 5.136 3.024 ( -3.442 -6.999 -1.838) 8.013 3.050 ( 6.693 -5.779 -2.971) 9.328 3.380 ( 6.058 -0.339 3.435) 6.972 3.439 ( -6.779 2.079 -1.901) 7.341 3.792 ( -4.371 2.621 1.365) 5.276 3.824 ( 4.162 1.427 -1.260) 4.577 3.991 ( -6.815 5.773 1.392) 9.039 4.024 ( 8.644 5.549 -1.385) 10.365 4.198 ( -4.036 -3.803 2.311) 6.008 4.374 ( 2.188 -4.343 -3.766) 6.150 4.620 ( 2.167 -6.363 1.308) 6.848 4.754 ( -1.753 -12.268 4.649) 13.236 4.891 ( -0.793 -6.775 -4.647) 8.254 5.019 ( 1.714 6.468 -1.850) 6.943 5.341 ( 1.207 -5.054 1.469) 5.400 5.422 ( -0.661 2.854 7.295) 7.862 5.577 ( -1.793 0.111 -2.134) 2.789 5.666 ( 2.338 4.710 3.447) 6.287 5.801 ( -0.020 0.071 -7.023) 7.024 5.994 ( -6.501 6.627 4.463) 10.301 6.103 ( 3.731 3.158 -3.595) 6.068 6.119 ( -0.922 -1.185 0.297) 1.530 6.245 ( 1.620 2.753 -0.106) 3.196 7.791 ( -0.192 -11.898 -0.258) 11.903 8.583 ( 0.080 -13.103 1.161) 13.155 9.219 ( 0.029 -4.880 0.071) 4.881 9.898 ( 0.811 5.633 -0.292) 5.698 9.933 ( -0.632 9.267 0.144) 9.289 10.202 ( -0.148 5.344 -0.092) 5.346 10.688 ( -0.778 -1.801 0.137) 1.966 10.806 ( 0.474 -4.984 -0.855) 5.079 10.916 ( -0.107 1.495 -0.043) 1.500 11.282 ( 0.433 -13.267 -0.094) 13.274 11.591 ( 1.076 -7.470 1.221) 7.645 11.615 ( -1.244 -7.466 -0.945) 7.628 12.354 ( 0.157 -16.184 0.161) 16.186 12.865 ( -0.938 -1.890 0.562) 2.184 12.894 ( 0.680 0.780 -0.719) 1.261 13.471 ( 0.189 -16.217 0.256) 16.220 13.941 ( -0.060 18.062 -0.203) 18.063 14.771 ( 0.632 2.341 0.592) 2.496 14.964 ( -0.599 0.971 -0.489) 1.241 15.911 ( 0.088 21.287 -0.362) 21.290 19.044 ( 0.456 -15.604 -0.055) 15.611 19.086 ( -0.506 -17.369 -0.063) 17.376 20.100 ( 0.912 11.694 1.713) 11.854 20.275 ( -0.765 14.261 -2.028) 14.424 24.596 ( 0.888 5.633 1.409) 5.874 24.723 ( -0.939 7.597 -1.732) 7.848 ======================= Grid point 245 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -12.260 -5.592 -5.499) 14.554 1.716 ( -0.976 3.851 3.176) 5.086 1.956 ( -2.067 -5.322 -0.414) 5.724 2.055 ( -21.358 -3.312 1.449) 21.661 2.267 ( 8.220 3.385 1.298) 8.983 2.363 ( 2.402 8.244 -1.814) 8.776 2.604 ( 0.371 -1.040 -0.624) 1.269 2.665 ( 5.993 2.715 0.982) 6.653 2.704 ( 5.630 0.082 0.430) 5.647 2.951 ( -4.253 -0.134 -0.703) 4.312 2.998 ( 2.294 -3.294 2.417) 4.685 3.116 ( -0.823 -1.833 -1.051) 2.267 3.168 ( 7.189 -0.312 -3.147) 7.854 3.324 ( 4.431 6.782 -2.086) 8.366 3.458 ( 1.890 -3.409 2.473) 4.616 3.700 ( -1.879 1.931 0.528) 2.746 3.760 ( 2.481 4.742 0.182) 5.354 3.895 ( -1.422 2.937 0.712) 3.340 4.091 ( -1.768 -6.366 -2.951) 7.237 4.211 ( -3.090 -1.062 3.549) 4.824 4.484 ( 3.197 -4.369 -3.419) 6.403 4.757 ( 3.870 -6.055 1.233) 7.291 4.812 ( -1.772 4.215 4.562) 6.459 4.994 ( -0.815 -2.349 -2.768) 3.721 5.015 ( 2.328 -6.296 -4.582) 8.127 5.340 ( -3.681 3.155 2.424) 5.420 5.407 ( -0.327 -0.228 1.280) 1.341 5.509 ( 2.913 6.337 -2.723) 7.488 5.623 ( -7.150 -1.585 5.096) 8.923 5.768 ( -5.385 3.796 4.219) 7.823 5.843 ( -5.221 1.006 -1.234) 5.459 6.073 ( 6.146 2.600 -4.286) 7.932 6.154 ( -0.437 -0.754 1.023) 1.344 6.231 ( 5.944 1.986 -0.513) 6.288 7.887 ( -0.272 0.889 -0.777) 1.212 8.718 ( 2.668 -1.561 1.085) 3.276 9.263 ( 0.865 3.951 0.437) 4.068 9.807 ( -1.520 3.639 -0.363) 3.961 9.900 ( -0.324 -8.309 0.581) 8.335 10.126 ( 0.398 3.434 -0.312) 3.471 10.621 ( -2.991 5.857 0.315) 6.584 10.773 ( -2.413 10.706 -0.281) 10.978 10.880 ( 0.342 -2.494 -0.650) 2.600 11.525 ( 4.637 -7.120 -0.133) 8.498 11.640 ( 1.386 -4.699 1.200) 5.045 11.812 ( -1.206 -9.835 -0.177) 9.911 12.571 ( 0.512 -0.955 0.210) 1.104 12.752 ( -2.811 6.268 0.419) 6.882 12.781 ( 0.022 10.954 -0.651) 10.974 13.724 ( -1.666 2.319 0.113) 2.857 13.847 ( 3.891 -17.228 0.117) 17.662 14.800 ( -4.988 -6.837 -0.147) 8.465 15.074 ( 2.513 -11.420 -0.009) 11.693 15.545 ( 1.516 17.769 -0.821) 17.853 19.309 ( 2.149 -12.837 0.141) 13.017 19.375 ( 0.715 -13.742 -0.046) 13.761 19.867 ( -0.513 13.517 3.113) 13.880 19.994 ( -3.531 15.228 -3.969) 16.128 24.520 ( 1.445 3.660 -0.040) 3.935 24.607 ( -0.397 4.608 -0.128) 4.627 ======================= Grid point 246 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -24.048 1.006 -6.631) 24.965 1.554 ( -1.980 12.242 5.587) 13.601 1.885 ( -15.923 3.720 7.858) 18.142 1.981 ( -2.809 2.224 -2.181) 4.194 2.302 ( 9.465 -0.570 -2.542) 9.817 2.327 ( 0.565 -3.392 -1.276) 3.668 2.580 ( 3.072 7.246 1.703) 8.052 2.680 ( 7.919 1.628 1.740) 8.270 2.802 ( -1.970 -5.309 -0.342) 5.673 2.901 ( -2.118 2.273 -1.770) 3.576 3.001 ( 4.303 8.569 -1.047) 9.645 3.126 ( 2.250 -3.813 1.306) 4.616 3.221 ( 1.972 -2.280 -4.432) 5.360 3.293 ( 8.089 1.388 -1.845) 8.412 3.541 ( 3.542 -1.676 3.440) 5.214 3.677 ( 2.214 0.311 -2.147) 3.100 3.798 ( 2.196 -4.642 1.988) 5.507 3.835 ( -2.063 2.188 0.795) 3.111 4.127 ( -5.534 0.368 -3.642) 6.635 4.182 ( -0.855 1.841 -0.718) 2.153 4.544 ( -0.822 -1.049 2.053) 2.448 4.748 ( 3.211 1.562 -0.750) 3.648 4.869 ( 2.938 -1.264 1.780) 3.660 4.971 ( -4.076 0.934 0.918) 4.281 5.119 ( -3.666 -2.832 -3.387) 5.739 5.265 ( 0.916 3.798 -1.842) 4.319 5.295 ( -0.883 7.229 2.468) 7.690 5.473 ( -0.055 0.379 3.252) 3.274 5.599 ( -6.581 -2.009 -1.760) 7.103 5.689 ( -5.053 -1.366 5.098) 7.307 5.844 ( -2.126 -2.903 0.479) 3.630 6.072 ( 4.885 3.532 -2.417) 6.495 6.156 ( 3.649 0.498 -0.366) 3.701 6.270 ( 5.182 -1.118 -0.081) 5.302 7.772 ( -0.141 11.177 -1.962) 11.348 8.651 ( 1.817 12.949 1.551) 13.167 9.193 ( 6.521 1.927 0.049) 6.800 9.706 ( -3.417 6.430 0.013) 7.282 10.047 ( -0.570 0.565 0.664) 1.042 10.192 ( 0.378 -15.738 -0.437) 15.749 10.489 ( 0.020 7.070 0.441) 7.083 10.560 ( -0.948 9.890 -0.183) 9.937 10.903 ( -0.986 -0.634 -0.538) 1.290 11.523 ( 3.205 9.002 -0.310) 9.560 11.759 ( -0.348 -1.140 1.350) 1.801 11.900 ( -6.640 -0.256 0.275) 6.650 12.336 ( 4.587 10.161 0.809) 11.178 12.511 ( -1.872 15.847 -2.018) 16.084 12.846 ( -0.120 -5.726 1.153) 5.843 13.782 ( 0.266 -9.002 1.535) 9.136 14.010 ( -1.610 2.909 -1.361) 3.592 14.921 ( -10.178 -13.906 -0.371) 17.236 15.235 ( -4.024 -5.259 -0.159) 6.623 15.530 ( 12.918 -11.948 -0.600) 17.606 19.378 ( -6.559 12.321 2.141) 14.122 19.535 ( -3.286 -6.732 1.231) 7.592 19.645 ( -0.333 13.163 -7.208) 15.011 19.848 ( 9.091 -6.392 2.827) 11.467 24.494 ( 2.383 1.093 -1.196) 2.882 24.566 ( 3.373 0.858 0.647) 3.540 ======================= Grid point 251 (121/141) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -12.242 0.000 -1.483) 12.331 1.189 ( -2.612 0.000 -0.440) 2.649 1.468 ( 23.237 -0.000 13.372) 26.810 1.783 ( 20.055 -0.000 6.791) 21.174 2.161 ( -1.225 0.000 1.446) 1.895 2.301 ( 8.785 -0.000 -3.368) 9.409 2.326 ( -8.434 0.000 -5.305) 9.963 2.328 ( 2.701 -0.000 -6.485) 7.025 2.581 ( -18.799 0.000 -1.421) 18.853 2.647 ( -4.086 0.000 -0.616) 4.133 3.190 ( 3.912 -0.000 0.956) 4.028 3.211 ( -0.686 0.000 -0.290) 0.745 3.409 ( -5.918 0.000 1.551) 6.118 3.449 ( 5.506 -0.000 2.756) 6.157 3.625 ( -3.050 0.000 -0.364) 3.072 3.689 ( 13.019 -0.000 -0.737) 13.039 3.826 ( 4.043 -0.000 0.280) 4.053 3.829 ( -8.080 0.000 -0.304) 8.085 3.883 ( 4.782 -0.000 -0.166) 4.784 4.099 ( -1.543 0.000 1.361) 2.057 4.310 ( 5.296 -0.000 -2.001) 5.662 4.491 ( -6.644 0.000 0.430) 6.658 4.727 ( -5.668 0.000 -2.395) 6.154 4.858 ( 2.269 -0.000 -0.511) 2.325 5.046 ( -4.860 0.000 1.166) 4.998 5.104 ( -8.970 0.000 3.995) 9.819 5.517 ( 7.993 -0.000 -0.418) 8.004 5.570 ( -4.061 0.000 3.061) 5.085 5.713 ( -2.590 0.000 -4.611) 5.289 5.807 ( 4.869 -0.000 -0.026) 4.869 6.065 ( 5.677 -0.000 -4.716) 7.380 6.140 ( -6.166 0.000 5.919) 8.547 6.530 ( 3.824 -0.000 0.401) 3.845 6.544 ( -3.394 0.000 -0.987) 3.535 6.561 ( 6.103 -0.000 -1.520) 6.290 7.411 ( -0.110 0.000 1.061) 1.066 8.901 ( 0.700 -0.000 -0.017) 0.701 9.384 ( -2.864 0.000 -0.046) 2.864 9.942 ( 1.579 -0.000 -0.064) 1.580 10.054 ( -0.540 0.000 -0.083) 0.546 10.244 ( -5.389 0.000 0.175) 5.392 10.620 ( -1.285 0.000 -0.064) 1.287 10.706 ( 11.479 -0.000 -0.009) 11.479 11.219 ( -10.204 0.000 0.047) 10.204 11.238 ( 3.211 -0.000 -0.726) 3.292 11.308 ( -0.800 0.000 -4.177) 4.253 11.557 ( 2.166 -0.000 0.050) 2.167 12.567 ( -2.625 0.000 -0.002) 2.625 12.731 ( -4.292 0.000 -2.719) 5.080 13.492 ( 4.526 -0.000 0.997) 4.635 14.814 ( 2.557 -0.000 -0.428) 2.592 15.418 ( -9.016 0.000 5.485) 10.553 15.635 ( -1.061 0.000 -1.576) 1.900 16.723 ( 3.987 -0.000 0.174) 3.991 18.089 ( 0.253 -0.000 0.334) 0.419 18.113 ( -0.061 0.000 -0.341) 0.346 20.411 ( 8.248 -0.000 -0.025) 8.248 20.886 ( 3.117 -0.000 1.732) 3.566 24.888 ( 5.443 -0.000 5.471) 7.717 25.268 ( 0.347 -0.000 -9.490) 9.496 ======================= Grid point 252 (122/141) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -3.695 -32.516 1.725) 32.770 1.046 ( 1.229 8.333 0.387) 8.432 1.767 ( 19.820 -8.982 7.387) 22.980 1.924 ( 13.802 1.581 4.487) 14.599 2.127 ( -4.139 1.764 1.202) 4.657 2.244 ( -12.634 -1.441 -7.431) 14.728 2.384 ( -6.404 -4.065 4.419) 8.778 2.425 ( 6.024 -6.728 -9.705) 13.257 2.516 ( 1.184 -6.519 -1.156) 6.726 2.654 ( -8.694 -5.133 -0.981) 10.143 3.150 ( -1.275 4.692 -0.405) 4.879 3.198 ( 0.590 1.776 1.633) 2.484 3.426 ( 0.411 -3.314 -0.028) 3.340 3.482 ( -0.482 1.065 1.839) 2.179 3.554 ( -1.145 6.457 0.244) 6.562 3.681 ( 5.781 5.717 0.488) 8.146 3.789 ( -4.873 -0.359 0.151) 4.888 3.867 ( 6.700 -3.606 0.137) 7.610 3.974 ( 5.347 -5.492 0.625) 7.691 4.172 ( -1.665 -5.014 0.880) 5.356 4.317 ( -2.777 -0.163 3.375) 4.374 4.451 ( -0.193 1.631 -3.676) 4.026 4.695 ( -3.615 -1.156 -2.568) 4.583 4.815 ( 1.390 6.482 -0.635) 6.660 5.010 ( -6.596 -1.863 3.292) 7.604 5.108 ( 0.904 -3.645 -0.906) 3.863 5.519 ( -3.882 1.204 4.061) 5.746 5.567 ( 3.929 2.242 1.477) 4.759 5.674 ( 0.920 -1.430 -4.363) 4.682 5.876 ( 0.561 -1.322 -1.490) 2.069 6.061 ( 1.143 1.948 -0.686) 2.361 6.078 ( -2.364 2.139 0.974) 3.334 6.478 ( 0.110 4.350 3.599) 5.647 6.537 ( 4.543 5.899 -3.163) 8.090 6.733 ( -0.527 -16.829 -1.217) 16.881 7.542 ( -0.076 -13.817 0.940) 13.850 9.022 ( 0.500 -10.620 0.031) 10.631 9.540 ( -1.573 -17.819 -0.061) 17.888 10.012 ( 0.785 -7.061 -0.010) 7.104 10.055 ( -0.591 -2.919 -0.034) 2.978 10.242 ( -2.199 -2.213 0.009) 3.120 10.589 ( -0.587 2.696 -0.027) 2.759 10.777 ( 6.329 1.463 -0.104) 6.497 11.056 ( -2.494 5.346 -0.341) 5.909 11.286 ( -1.463 0.951 -3.107) 3.564 11.411 ( -0.957 -12.777 -0.595) 12.826 11.577 ( 0.756 -0.664 0.259) 1.039 12.595 ( -1.080 -4.768 -0.123) 4.891 12.693 ( -3.234 0.456 -0.214) 3.273 13.473 ( 2.138 4.941 0.398) 5.398 14.770 ( 2.111 7.143 -0.514) 7.467 15.286 ( -3.960 8.157 3.748) 9.812 15.541 ( -0.659 9.475 -1.515) 9.618 16.690 ( 2.014 6.334 0.102) 6.647 18.196 ( -0.646 -11.166 0.362) 11.190 18.211 ( -0.153 -10.595 -0.450) 10.606 20.441 ( 4.826 2.486 -0.380) 5.442 20.853 ( 1.482 5.514 1.050) 5.805 24.891 ( 3.020 3.532 5.098) 6.898 25.207 ( -0.353 6.344 -7.559) 9.875 ======================= Grid point 253 (123/141) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.516 0.974 -1.526) 3.954 1.390 ( 0.336 -28.614 1.082) 28.637 1.902 ( 1.434 6.206 -0.743) 6.413 2.004 ( 2.330 1.849 -0.697) 3.055 2.077 ( 5.527 -5.125 5.337) 9.236 2.189 ( -7.356 -2.517 -4.526) 8.996 2.479 ( -7.483 -12.100 7.335) 16.006 2.608 ( 2.807 -7.493 -4.507) 9.184 2.695 ( 3.271 -7.658 -6.177) 10.368 2.720 ( -0.510 -9.089 0.338) 9.110 3.060 ( 1.064 4.562 -0.738) 4.742 3.149 ( -1.157 3.388 1.076) 3.739 3.290 ( -0.462 15.259 0.654) 15.280 3.442 ( 0.276 5.885 1.187) 6.009 3.491 ( 1.015 -1.434 -0.204) 1.769 3.696 ( -0.977 -2.391 0.771) 2.696 3.803 ( 0.495 -3.023 0.274) 3.075 3.971 ( -1.231 -5.143 0.253) 5.295 4.115 ( -2.056 -5.000 1.654) 5.654 4.249 ( 6.774 -4.076 1.988) 8.152 4.278 ( -9.296 -2.024 2.701) 9.890 4.426 ( 4.909 3.249 -4.089) 7.167 4.665 ( 1.696 9.809 -1.109) 10.016 4.711 ( -2.441 -3.340 -2.225) 4.697 5.074 ( 2.609 -5.686 2.562) 6.760 5.168 ( 0.544 -1.741 -1.562) 2.402 5.474 ( -3.319 0.236 7.447) 8.156 5.549 ( 3.784 1.992 0.953) 4.381 5.739 ( -2.570 -3.758 -5.873) 7.432 5.843 ( -1.769 2.618 -2.524) 4.044 6.030 ( -1.203 0.383 1.581) 2.023 6.080 ( 1.936 -1.061 -0.328) 2.232 6.353 ( -2.725 7.963 4.362) 9.479 6.445 ( 3.144 7.438 -4.078) 9.047 7.095 ( -0.191 -22.644 -0.432) 22.649 7.863 ( 0.132 -21.216 0.849) 21.234 9.166 ( 0.026 -3.605 0.055) 3.606 9.854 ( 0.007 -12.930 -0.178) 12.931 10.209 ( 0.116 -7.456 -0.244) 7.461 10.250 ( 0.036 -5.727 0.217) 5.731 10.263 ( -0.260 -21.546 0.147) 21.548 10.506 ( -0.015 5.956 0.180) 5.958 10.751 ( -0.233 1.838 -0.584) 1.943 11.020 ( 1.387 -1.061 -0.512) 1.820 11.274 ( -1.884 -1.992 -1.677) 3.214 11.589 ( 0.398 -0.651 0.047) 0.764 11.686 ( 0.721 -17.732 -0.406) 17.751 12.680 ( -3.281 -2.934 1.655) 4.702 12.711 ( 1.444 -6.850 -0.683) 7.034 13.375 ( 0.664 6.114 -0.009) 6.150 14.589 ( -0.445 13.847 -0.248) 13.857 15.095 ( 1.531 11.752 1.864) 11.997 15.317 ( -0.413 14.056 -1.102) 14.105 16.531 ( 0.059 12.384 -0.008) 12.384 18.446 ( 0.029 -16.625 0.446) 16.631 18.457 ( -0.073 -16.216 -0.600) 16.228 20.396 ( 0.956 5.242 -0.549) 5.357 20.720 ( -0.294 9.866 0.540) 9.885 24.819 ( 0.889 5.944 3.902) 7.166 25.054 ( -1.271 9.598 -5.204) 10.992 ======================= Grid point 254 (124/141) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.027 -7.040 -7.020) 9.995 1.751 ( -0.557 -8.791 0.318) 8.814 1.758 ( -19.590 -0.539 -0.647) 19.608 2.014 ( 7.129 0.228 0.638) 7.161 2.139 ( 7.041 -0.937 2.185) 7.432 2.296 ( -4.540 -10.608 0.714) 11.561 2.657 ( -1.626 -9.768 5.792) 11.472 2.727 ( -1.373 -4.739 -3.183) 5.872 2.768 ( -3.219 -3.987 -0.330) 5.135 2.919 ( 0.201 -1.844 -3.277) 3.766 3.009 ( 8.755 2.899 -2.097) 9.458 3.056 ( 3.689 8.950 -0.676) 9.704 3.075 ( 5.583 3.802 -0.044) 6.754 3.356 ( -4.010 0.853 0.190) 4.104 3.504 ( 5.261 2.437 1.044) 5.892 3.727 ( -5.040 -3.468 0.878) 6.180 3.837 ( -1.928 -0.895 0.104) 2.129 4.046 ( -5.859 -3.186 2.208) 7.026 4.086 ( -1.148 4.264 1.976) 4.838 4.200 ( -2.785 0.787 0.018) 2.895 4.353 ( 1.263 2.146 -4.071) 4.772 4.520 ( 4.260 -10.536 2.191) 11.573 4.600 ( 7.818 -0.401 0.027) 7.829 4.782 ( 1.109 -5.367 -3.299) 6.396 5.111 ( -0.663 2.986 1.112) 3.255 5.247 ( 1.988 -5.702 -1.273) 6.171 5.461 ( -1.061 -0.269 7.970) 8.045 5.534 ( -1.332 1.900 3.455) 4.162 5.738 ( -4.286 -0.061 -6.716) 7.967 5.789 ( -2.913 1.421 -3.325) 4.644 6.026 ( -2.550 1.522 2.890) 4.143 6.103 ( 0.579 -0.721 0.592) 1.098 6.192 ( -0.823 6.468 1.404) 6.670 6.348 ( 3.466 5.436 -2.567) 6.939 7.488 ( -0.569 -20.686 -0.189) 20.695 8.261 ( 0.781 -21.970 0.910) 22.003 9.190 ( 2.490 -0.111 -0.057) 2.493 9.950 ( -2.655 0.444 -0.313) 2.710 10.115 ( -0.220 8.284 -0.175) 8.289 10.330 ( 0.450 8.825 0.389) 8.845 10.519 ( -3.827 -13.808 0.324) 14.332 10.687 ( -0.229 -14.239 -0.473) 14.249 10.789 ( -2.025 -6.874 -0.091) 7.167 11.118 ( 4.671 -10.064 -1.229) 11.163 11.362 ( 0.509 -9.500 0.142) 9.514 11.603 ( 1.278 -0.420 -0.060) 1.347 12.036 ( 1.323 -19.519 -0.357) 19.567 12.731 ( -5.481 -6.051 1.639) 8.327 12.847 ( 1.365 -5.960 -0.628) 6.146 13.337 ( 4.273 -2.285 -0.286) 4.854 14.282 ( -1.976 18.981 -0.033) 19.083 14.902 ( 1.785 11.121 0.365) 11.270 15.088 ( 2.169 10.955 -0.238) 11.170 16.256 ( -1.589 17.666 -0.177) 17.739 18.762 ( 1.882 -17.083 -0.524) 17.194 18.770 ( 1.808 -18.454 0.357) 18.546 20.268 ( -2.899 8.248 -0.394) 8.752 20.504 ( -2.593 12.889 0.058) 13.148 24.709 ( -0.099 6.349 2.133) 6.699 24.865 ( -2.383 9.485 -2.749) 10.159 ======================= Grid point 255 (125/141) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -11.195 -4.924 -6.978) 14.081 1.645 ( -18.940 -5.226 -0.575) 19.656 1.810 ( -1.554 -1.662 -1.424) 2.684 1.987 ( -1.977 2.705 2.300) 4.064 2.298 ( 7.098 -4.264 3.294) 8.911 2.419 ( -5.926 -7.280 0.929) 9.433 2.600 ( 0.442 9.544 -1.584) 9.685 2.765 ( 3.183 1.029 0.491) 3.381 2.823 ( -2.142 1.979 0.082) 2.918 2.917 ( 1.439 -7.447 3.990) 8.570 2.965 ( 5.908 4.504 -1.354) 7.551 3.088 ( 7.140 -1.244 -2.847) 7.787 3.175 ( 4.205 -3.704 -3.975) 6.871 3.375 ( 3.840 -3.224 -0.731) 5.067 3.509 ( 8.281 2.234 2.641) 8.975 3.710 ( -5.806 0.662 1.213) 5.969 3.811 ( -4.725 2.281 -0.031) 5.247 3.930 ( -2.699 0.876 -0.607) 2.902 4.100 ( -1.602 5.413 0.143) 5.647 4.134 ( 0.374 -0.830 1.784) 2.003 4.412 ( 2.443 -6.179 -3.125) 7.342 4.687 ( 4.547 -6.837 -1.070) 8.281 4.758 ( 2.753 -6.566 7.568) 10.391 4.907 ( 3.169 -6.030 -4.718) 8.286 5.037 ( 0.229 3.710 -3.806) 5.320 5.322 ( -2.199 -1.980 0.778) 3.060 5.425 ( -2.021 3.973 5.164) 6.822 5.493 ( -5.441 -2.526 1.467) 6.176 5.667 ( -2.752 5.371 0.375) 6.046 5.747 ( -5.466 -0.245 -5.448) 7.721 5.882 ( -6.554 7.396 5.974) 11.548 6.135 ( 1.007 -1.308 -1.154) 2.014 6.144 ( 3.543 1.266 -0.430) 3.787 6.319 ( 5.249 2.316 -1.278) 5.878 7.781 ( -0.933 -12.045 -0.191) 12.083 8.608 ( 2.700 -14.236 1.042) 14.527 9.252 ( 3.994 -3.519 -0.034) 5.324 9.832 ( -6.327 5.182 -0.521) 8.195 9.975 ( 3.157 9.123 -0.011) 9.654 10.199 ( -0.434 5.288 0.256) 5.312 10.619 ( -6.081 -2.347 0.361) 6.528 10.801 ( -10.138 -2.706 -0.303) 10.497 10.843 ( 2.190 -2.932 -0.534) 3.698 11.413 ( 12.477 -10.813 -0.335) 16.514 11.594 ( -0.927 -12.416 -0.254) 12.453 11.632 ( 3.342 -2.284 0.794) 4.125 12.367 ( 1.488 -16.005 -0.116) 16.075 12.767 ( -10.095 -3.788 1.066) 10.835 12.896 ( -0.334 1.870 -0.816) 2.068 13.560 ( 9.374 -13.957 -0.131) 16.813 13.933 ( -0.850 16.242 -0.042) 16.264 14.749 ( -2.322 5.157 -0.145) 5.658 15.004 ( 4.774 0.747 0.259) 4.839 15.895 ( -2.156 20.326 -0.510) 20.447 19.079 ( 3.859 -15.698 0.027) 16.165 19.116 ( 4.225 -17.166 -0.093) 17.678 20.060 ( -5.820 10.983 0.043) 12.430 20.228 ( -4.730 14.603 -0.573) 15.361 24.606 ( 0.156 4.987 0.004) 4.989 24.698 ( -2.151 6.675 -0.297) 7.020 ======================= Grid point 256 (126/141) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -21.253 -0.529 -6.264) 22.163 1.601 ( -15.909 -1.893 0.127) 16.022 1.806 ( -2.485 0.530 2.171) 3.342 1.942 ( -0.969 -0.022 3.067) 3.217 2.318 ( -2.834 1.902 -0.472) 3.446 2.415 ( 5.396 3.598 -0.028) 6.485 2.583 ( -0.600 -5.044 -1.829) 5.399 2.743 ( 2.094 3.163 0.728) 3.862 2.801 ( 1.026 0.325 0.635) 1.249 2.942 ( 2.531 2.508 -1.501) 3.866 3.039 ( 4.029 -3.943 4.039) 6.935 3.141 ( 4.510 0.983 -3.932) 6.063 3.231 ( -0.291 -0.709 -1.681) 1.847 3.434 ( 9.201 4.450 -0.042) 10.221 3.583 ( 12.009 -0.886 0.171) 12.043 3.685 ( -2.611 -3.702 1.066) 4.654 3.736 ( -0.407 2.987 0.238) 3.024 3.953 ( 5.257 5.010 0.684) 7.294 3.971 ( -10.461 -3.496 -2.279) 11.263 4.165 ( -3.774 -2.821 2.043) 5.135 4.536 ( 3.064 -3.392 -3.082) 5.513 4.783 ( -1.658 0.250 5.097) 5.366 4.857 ( 6.770 -3.857 1.512) 7.937 4.967 ( -2.155 1.057 -1.388) 2.772 5.045 ( 0.790 -2.861 -6.180) 6.856 5.268 ( -4.715 1.511 1.231) 5.102 5.389 ( -1.202 0.922 0.464) 1.584 5.478 ( -8.357 -0.329 2.444) 8.713 5.545 ( 0.435 4.174 -2.238) 4.756 5.666 ( -4.949 3.161 4.034) 7.124 5.787 ( -2.204 -1.247 2.319) 3.434 6.153 ( 2.848 1.167 -2.244) 3.809 6.169 ( 2.204 -0.731 -0.117) 2.325 6.327 ( 4.926 1.434 -0.533) 5.158 7.882 ( -0.365 0.328 -0.782) 0.923 8.783 ( 4.391 -1.371 1.286) 4.776 9.290 ( 2.417 2.883 0.157) 3.766 9.762 ( -3.678 2.280 -0.433) 4.349 9.896 ( -0.185 -4.616 0.475) 4.644 10.135 ( 0.520 1.919 -0.221) 2.001 10.552 ( -4.611 2.825 0.020) 5.408 10.725 ( -2.726 5.555 -0.178) 6.190 10.888 ( 0.548 -0.872 -0.397) 1.104 11.614 ( 4.061 -0.451 -0.375) 4.103 11.681 ( 4.043 -5.657 0.836) 7.003 11.790 ( -1.188 -6.919 0.417) 7.032 12.580 ( 0.301 1.932 0.183) 1.963 12.686 ( -4.156 1.126 0.374) 4.322 12.780 ( -0.215 7.213 -0.614) 7.242 13.700 ( -1.011 -0.037 0.124) 1.019 13.927 ( 5.054 -9.154 0.074) 10.457 14.693 ( -6.716 -3.008 -0.214) 7.362 15.120 ( 2.372 -7.228 0.257) 7.612 15.579 ( 2.155 10.321 -0.988) 10.590 19.366 ( 4.633 -11.568 -0.060) 12.461 19.397 ( 1.358 -8.102 0.675) 8.242 19.815 ( -5.508 9.740 -1.540) 11.295 19.941 ( -2.182 11.529 0.379) 11.740 24.540 ( 0.670 2.640 -1.454) 3.088 24.610 ( 0.833 2.261 1.109) 2.653 ======================= Grid point 262 (127/141) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 1.580 -0.000 -3.860) 4.171 1.135 ( -3.461 0.000 5.331) 6.356 1.840 ( 22.303 -0.000 7.494) 23.528 2.030 ( -16.817 0.000 -4.516) 17.412 2.077 ( 15.768 -0.000 2.209) 15.922 2.191 ( -1.561 0.000 -2.678) 3.100 2.248 ( -22.387 0.000 0.824) 22.402 2.421 ( 8.984 -0.000 -8.275) 12.214 2.434 ( 1.449 -0.000 0.591) 1.565 2.575 ( -2.072 0.000 -0.912) 2.264 3.206 ( 0.298 -0.000 -0.598) 0.669 3.214 ( -2.042 0.000 3.866) 4.372 3.373 ( 2.138 -0.000 -1.446) 2.581 3.497 ( 1.100 -0.000 0.744) 1.328 3.587 ( -0.931 0.000 0.744) 1.192 3.758 ( -0.082 0.000 -0.330) 0.340 3.807 ( -1.975 0.000 1.094) 2.258 3.870 ( 0.392 -0.000 0.878) 0.961 3.944 ( -0.683 0.000 0.185) 0.707 4.087 ( -0.171 0.000 1.692) 1.700 4.306 ( -1.039 0.000 6.309) 6.394 4.465 ( 0.927 -0.000 -5.720) 5.794 4.661 ( -2.531 0.000 -0.625) 2.607 4.878 ( 0.089 -0.000 -0.641) 0.647 4.984 ( 3.895 -0.000 -0.928) 4.004 5.086 ( 2.987 -0.000 -3.068) 4.282 5.513 ( -2.649 0.000 5.437) 6.048 5.579 ( -0.337 0.000 0.069) 0.344 5.691 ( -0.136 0.000 -2.755) 2.759 5.847 ( 0.067 -0.000 -0.116) 0.134 6.044 ( -6.049 0.000 5.907) 8.455 6.155 ( 5.720 -0.000 -4.849) 7.499 6.517 ( 0.017 -0.000 -1.074) 1.074 6.529 ( -3.008 0.000 4.722) 5.599 6.644 ( 2.830 -0.000 -5.136) 5.865 7.411 ( 0.088 -0.000 0.970) 0.974 8.908 ( -0.023 0.000 0.028) 0.037 9.359 ( 0.001 -0.000 -0.049) 0.049 9.955 ( 0.019 -0.000 -0.091) 0.093 10.049 ( -0.030 0.000 -0.037) 0.047 10.199 ( 0.113 -0.000 0.026) 0.116 10.610 ( -0.015 0.000 -0.064) 0.066 10.828 ( -0.007 0.000 -0.021) 0.022 11.108 ( 0.032 -0.000 0.021) 0.038 11.276 ( 1.787 -0.000 -1.452) 2.302 11.286 ( -1.775 0.000 -2.752) 3.275 11.575 ( -0.009 0.000 0.061) 0.062 12.545 ( -0.001 0.000 -0.002) 0.002 12.674 ( -2.894 0.000 1.723) 3.368 13.535 ( 0.963 -0.000 -0.231) 0.990 14.840 ( -0.634 0.000 -0.227) 0.673 15.349 ( 1.374 -0.000 2.954) 3.257 15.632 ( 0.462 -0.000 -1.829) 1.886 16.755 ( 0.095 -0.000 0.081) 0.125 18.091 ( -0.086 0.000 0.419) 0.427 18.113 ( 0.085 -0.000 -0.424) 0.433 20.487 ( 1.191 -0.000 -1.236) 1.717 20.908 ( -0.137 0.000 1.207) 1.215 24.940 ( 0.924 -0.000 5.303) 5.383 25.257 ( -1.547 0.000 -7.443) 7.602 ======================= Grid point 263 (128/141) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.559 -30.502 1.641) 30.653 1.057 ( 0.864 2.955 0.204) 3.086 1.895 ( -19.382 -0.028 -4.742) 19.954 2.007 ( -2.987 -0.298 1.895) 3.550 2.118 ( 13.345 -2.264 -1.044) 13.576 2.169 ( -0.658 1.393 -2.020) 2.540 2.222 ( -0.585 -7.021 8.435) 10.991 2.497 ( -5.765 -8.311 -3.766) 10.793 2.536 ( 3.484 -3.661 -4.056) 6.480 2.641 ( 8.937 -6.456 -0.792) 11.054 3.157 ( 1.753 3.820 -0.799) 4.279 3.179 ( -2.539 2.159 3.146) 4.583 3.432 ( 0.129 -1.187 -0.300) 1.231 3.505 ( 4.094 1.022 -0.411) 4.239 3.542 ( -1.264 4.996 1.443) 5.352 3.674 ( -6.310 4.886 1.084) 8.054 3.790 ( 3.692 -0.063 0.085) 3.693 3.855 ( -7.941 -3.160 0.873) 8.591 3.966 ( -4.672 -5.431 2.056) 7.453 4.169 ( 0.185 -5.382 1.016) 5.480 4.277 ( -2.466 0.991 4.140) 4.919 4.498 ( 6.834 -0.025 -5.213) 8.595 4.657 ( 0.176 -0.590 0.754) 0.974 4.829 ( 1.048 5.371 -1.989) 5.823 5.056 ( 7.383 -2.242 -0.343) 7.723 5.138 ( 5.161 -1.539 -4.063) 6.746 5.468 ( -2.335 2.059 6.675) 7.365 5.600 ( -1.123 -1.771 2.320) 3.128 5.663 ( -0.654 0.478 -5.401) 5.461 5.847 ( -4.420 1.238 1.373) 4.791 5.994 ( -4.278 -1.095 3.378) 5.560 6.146 ( 5.683 3.825 -3.110) 7.523 6.445 ( -4.347 4.954 3.847) 7.631 6.578 ( 0.468 4.701 -4.200) 6.321 6.731 ( 0.287 -16.452 -0.887) 16.478 7.543 ( 0.281 -13.843 0.781) 13.868 9.022 ( -0.521 -10.642 0.047) 10.655 9.540 ( 1.572 -17.805 -0.061) 17.875 10.013 ( -0.721 -7.147 -0.059) 7.184 10.055 ( 0.542 -2.838 -0.014) 2.889 10.243 ( 2.393 -2.166 -0.083) 3.229 10.588 ( 0.563 2.706 0.022) 2.764 10.776 ( -6.176 1.600 -0.029) 6.380 11.069 ( 3.332 4.864 -1.558) 6.099 11.257 ( -0.933 0.875 -0.430) 1.349 11.426 ( 2.191 -12.131 -2.017) 12.491 11.581 ( -0.282 -1.068 -0.114) 1.111 12.590 ( 0.195 -3.958 0.501) 3.994 12.657 ( -1.149 -0.885 2.871) 3.217 13.487 ( -0.370 5.101 -0.804) 5.177 14.762 ( -2.916 7.065 0.239) 7.647 15.310 ( 6.777 7.995 1.658) 10.611 15.543 ( 0.723 9.978 -1.678) 10.144 16.691 ( -1.854 6.356 -0.011) 6.621 18.192 ( 0.165 -11.012 0.499) 11.025 18.214 ( 0.591 -10.720 -0.560) 10.751 20.458 ( -2.712 2.602 -1.946) 4.232 20.851 ( -1.521 5.601 1.272) 5.942 24.906 ( -1.137 3.566 4.526) 5.874 25.183 ( -2.761 6.179 -6.172) 9.159 ======================= Grid point 264 (129/141) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 1.651 -0.798 -4.407) 4.774 1.364 ( -5.650 -20.312 -0.820) 21.099 1.743 ( -9.465 -0.846 -0.593) 9.521 1.989 ( -10.577 -5.819 0.459) 12.080 2.122 ( -1.234 2.337 -2.353) 3.538 2.254 ( 12.417 0.445 3.323) 12.862 2.413 ( 1.452 -12.654 4.387) 13.471 2.598 ( -5.545 -8.839 -3.587) 11.033 2.654 ( 1.657 -6.205 -1.245) 6.542 2.863 ( 8.443 -7.476 -4.592) 12.176 3.106 ( 2.327 2.830 1.725) 4.049 3.138 ( 1.369 1.517 0.418) 2.085 3.315 ( 2.741 13.113 0.832) 13.422 3.391 ( -3.282 5.422 0.129) 6.339 3.553 ( 0.418 -1.055 0.535) 1.255 3.629 ( -3.299 -2.265 -0.132) 4.004 3.777 ( -5.863 -1.605 1.349) 6.227 3.911 ( -3.786 -5.422 1.494) 6.780 4.046 ( -4.104 -6.923 2.788) 8.517 4.198 ( -0.040 3.601 2.065) 4.151 4.292 ( -1.336 -5.648 -1.528) 6.001 4.553 ( 8.832 1.263 -3.299) 9.512 4.658 ( -0.143 0.603 1.358) 1.492 4.784 ( 9.686 2.058 -3.707) 10.573 5.123 ( -0.053 -0.589 2.145) 2.225 5.212 ( 6.883 -1.530 -4.240) 8.228 5.424 ( -2.946 0.043 6.673) 7.295 5.608 ( 2.249 2.195 5.502) 6.336 5.665 ( -4.905 -2.189 -6.197) 8.201 5.749 ( -8.770 1.385 -0.642) 8.902 6.011 ( -2.485 -2.299 2.096) 3.982 6.136 ( 5.040 2.743 -1.676) 5.978 6.296 ( -4.421 6.694 3.422) 8.722 6.466 ( -0.488 6.168 -3.344) 7.033 7.094 ( 0.310 -22.159 -0.666) 22.172 7.871 ( 0.833 -21.427 0.673) 21.454 9.178 ( 1.376 -5.419 -0.006) 5.591 9.847 ( -1.248 -10.829 -0.169) 10.902 10.142 ( -5.922 -5.394 -0.240) 8.014 10.235 ( -0.426 -12.833 0.073) 12.840 10.345 ( 6.686 -12.920 0.299) 14.551 10.519 ( 1.627 6.056 0.194) 6.273 10.727 ( -2.683 -1.427 -0.115) 3.041 11.008 ( -3.582 -0.263 -2.679) 4.481 11.284 ( 4.245 -3.113 0.923) 5.344 11.590 ( -0.348 -2.353 -0.307) 2.398 11.725 ( 3.744 -16.272 -1.786) 16.793 12.624 ( -3.591 -2.196 3.601) 5.540 12.741 ( 2.114 -6.525 0.095) 6.860 13.391 ( 1.276 4.177 -1.175) 4.523 14.551 ( -3.405 13.634 0.493) 14.062 15.168 ( 6.593 14.039 -0.095) 15.510 15.335 ( 2.958 13.226 -0.306) 13.556 16.503 ( -3.704 12.288 -0.130) 12.835 18.462 ( 2.003 -17.434 0.764) 17.565 18.479 ( 2.871 -16.815 -0.942) 17.084 20.351 ( -6.427 5.352 -2.180) 8.643 20.688 ( -3.567 10.385 1.159) 11.042 24.808 ( -2.360 5.493 2.813) 6.607 25.009 ( -4.490 9.412 -3.856) 11.118 ======================= Grid point 265 (130/141) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -4.176 -0.673 -6.709) 7.932 1.384 ( -19.636 -4.308 -2.774) 20.294 1.820 ( 4.106 -1.323 -0.207) 4.319 2.036 ( -0.937 1.318 4.237) 4.535 2.117 ( -8.466 -11.235 -1.105) 14.111 2.353 ( 8.551 -2.449 3.171) 9.443 2.641 ( 0.519 -8.108 1.510) 8.264 2.724 ( -0.055 -8.494 0.164) 8.495 2.752 ( 0.118 -4.826 -2.375) 5.380 2.871 ( -2.491 6.533 -1.901) 7.246 3.109 ( -0.991 1.387 -0.634) 1.819 3.145 ( 6.378 3.336 0.397) 7.208 3.213 ( 6.524 3.945 -3.056) 8.214 3.328 ( 6.057 -4.409 -0.858) 7.540 3.573 ( -0.031 -1.141 2.011) 2.312 3.640 ( -4.165 -2.301 0.128) 4.760 3.772 ( -2.764 -0.886 1.109) 3.107 3.926 ( -8.668 -0.955 2.076) 8.964 4.075 ( -2.114 2.725 2.788) 4.435 4.167 ( 0.580 -3.529 -0.320) 3.590 4.377 ( 2.702 -1.662 -3.858) 4.994 4.604 ( 5.674 -3.102 -1.011) 6.545 4.714 ( 5.264 -3.792 4.446) 7.864 4.876 ( 9.379 -2.464 -4.479) 10.682 5.085 ( -2.607 2.622 -0.517) 3.733 5.277 ( 1.874 -1.494 -3.392) 4.154 5.423 ( -3.132 -1.419 4.240) 5.459 5.515 ( -1.630 6.864 7.828) 10.537 5.647 ( -8.361 -1.314 -0.722) 8.495 5.701 ( -4.900 -0.675 -5.007) 7.038 5.976 ( -3.934 5.490 3.293) 7.514 6.110 ( 0.319 0.145 -0.885) 0.952 6.204 ( 1.497 2.309 0.606) 2.818 6.387 ( 1.009 2.660 -1.359) 3.153 7.479 ( -0.371 -20.056 -0.577) 20.068 8.281 ( 1.675 -22.523 0.720) 22.597 9.259 ( 5.656 -1.633 -0.179) 5.890 9.865 ( -8.118 3.486 -0.432) 8.845 10.099 ( -1.958 2.547 -0.659) 3.280 10.345 ( 1.324 8.359 1.165) 8.543 10.450 ( -3.584 -8.873 0.111) 9.570 10.623 ( -6.990 -6.914 -0.248) 9.835 10.793 ( 2.229 -4.931 -0.287) 5.419 11.184 ( 2.389 -22.059 -1.315) 22.227 11.428 ( 7.987 -6.689 0.807) 10.449 11.630 ( 2.218 -1.742 -0.282) 2.835 12.071 ( 2.927 -18.485 -1.137) 18.750 12.620 ( -7.869 -1.854 3.066) 8.646 12.861 ( 0.523 -4.788 -0.581) 4.851 13.445 ( 8.513 -7.549 -1.306) 11.453 14.234 ( -3.631 18.139 0.564) 18.508 14.939 ( 2.995 14.664 -0.594) 14.978 15.158 ( 6.071 10.374 0.477) 12.029 16.203 ( -5.176 17.124 -0.311) 17.892 18.811 ( 4.736 -18.234 1.353) 18.888 18.837 ( 6.054 -18.774 -1.547) 19.786 20.168 ( -9.224 8.058 -1.891) 12.393 20.435 ( -5.956 13.417 0.816) 14.702 24.690 ( -2.451 5.217 0.394) 5.777 24.805 ( -5.080 8.386 -0.857) 9.843 ======================= Grid point 266 (131/141) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -15.098 2.623 -3.257) 15.666 1.401 ( -5.490 -7.157 -3.509) 9.679 1.832 ( 1.279 1.122 -1.002) 1.975 1.975 ( 0.199 3.487 3.668) 5.064 2.241 ( -6.419 -6.977 1.016) 9.535 2.449 ( 3.221 -1.997 0.977) 3.914 2.621 ( 2.174 6.794 -1.906) 7.384 2.761 ( -3.401 -1.174 0.602) 3.648 2.809 ( 2.285 0.650 -0.966) 2.564 2.904 ( -2.105 -6.068 2.754) 6.988 3.101 ( 5.577 3.919 0.286) 6.822 3.146 ( -4.191 -2.896 -2.058) 5.494 3.198 ( 5.564 -1.850 -2.287) 6.294 3.532 ( 10.283 -4.389 -2.860) 11.540 3.611 ( 1.133 -3.760 0.608) 3.973 3.633 ( -1.724 0.306 0.019) 1.751 3.761 ( 0.054 0.676 2.270) 2.370 3.847 ( -4.751 0.653 0.227) 4.801 4.034 ( -6.139 -0.755 1.466) 6.357 4.175 ( 2.917 5.158 0.212) 5.930 4.458 ( 4.097 -6.073 -2.858) 7.864 4.731 ( 1.243 -4.374 5.376) 7.042 4.830 ( 4.605 -4.935 2.179) 7.093 4.961 ( 0.065 -0.399 -3.677) 3.699 5.046 ( 4.048 0.076 -5.721) 7.008 5.292 ( -2.074 3.472 1.953) 4.491 5.346 ( -3.397 -0.196 -1.000) 3.547 5.454 ( -2.083 1.120 3.221) 3.996 5.576 ( -7.247 1.742 2.774) 7.953 5.673 ( -3.168 0.147 -3.024) 4.382 5.823 ( -0.957 6.516 3.788) 7.597 6.144 ( 0.073 -2.382 -0.298) 2.402 6.191 ( 1.534 0.910 -0.778) 1.946 6.369 ( 0.683 0.663 -0.295) 0.996 7.767 ( -0.622 -12.119 -0.532) 12.147 8.653 ( 2.546 -16.012 0.931) 16.240 9.328 ( 4.181 -0.156 -0.173) 4.188 9.716 ( -7.366 1.840 -0.700) 7.624 10.021 ( 2.617 8.368 -0.535) 8.784 10.185 ( -1.315 6.125 1.069) 6.356 10.535 ( -3.711 -0.873 -0.068) 3.813 10.649 ( -8.037 -7.571 -0.119) 11.042 10.872 ( 1.258 -2.016 -0.316) 2.397 11.577 ( -1.217 -10.176 0.370) 10.255 11.616 ( 12.368 -8.981 -0.555) 15.295 11.693 ( 3.950 -3.059 0.638) 5.037 12.401 ( 2.745 -15.685 -0.432) 15.930 12.587 ( -11.595 -4.683 1.683) 12.617 12.887 ( -0.723 2.691 -0.997) 2.960 13.717 ( 8.933 -7.127 -0.654) 11.446 13.923 ( 0.048 9.296 0.231) 9.299 14.728 ( 0.292 9.826 -0.150) 9.832 15.088 ( 5.332 1.724 0.451) 5.621 15.836 ( -5.506 18.007 -0.655) 18.842 19.168 ( 7.362 -15.909 1.359) 17.583 19.209 ( 6.954 -15.928 -1.205) 17.422 19.929 ( -10.113 9.680 -1.454) 14.074 20.136 ( -6.657 13.772 0.306) 15.300 24.592 ( -2.224 3.638 -1.862) 4.653 24.659 ( -2.645 3.988 1.672) 5.069 ======================= Grid point 273 (132/141) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 12.734 -0.000 -4.525) 13.514 1.095 ( -1.588 0.000 7.951) 8.108 1.717 ( -20.423 0.000 -7.483) 21.750 1.870 ( -24.231 0.000 0.547) 24.237 2.163 ( 15.987 -0.000 4.334) 16.564 2.182 ( -0.356 0.000 -0.339) 0.491 2.285 ( 10.514 -0.000 -4.048) 11.267 2.340 ( -9.829 0.000 -3.471) 10.424 2.598 ( 12.035 -0.000 -2.792) 12.355 2.607 ( 3.335 -0.000 2.980) 4.473 3.158 ( -3.515 0.000 3.573) 5.012 3.217 ( 0.593 -0.000 -0.678) 0.901 3.445 ( 6.011 -0.000 -1.449) 6.183 3.485 ( -4.030 0.000 -0.673) 4.086 3.585 ( -3.581 0.000 4.115) 5.455 3.644 ( -10.389 0.000 1.839) 10.550 3.812 ( -5.993 0.000 1.664) 6.219 3.828 ( 8.282 -0.000 -0.263) 8.286 3.892 ( -3.552 0.000 -0.399) 3.574 4.095 ( 1.353 -0.000 1.740) 2.204 4.247 ( -6.127 0.000 2.346) 6.561 4.562 ( 9.426 -0.000 -4.530) 10.458 4.687 ( 5.749 -0.000 0.936) 5.825 4.861 ( -2.170 0.000 -0.707) 2.282 5.071 ( 4.068 -0.000 -2.572) 4.812 5.222 ( 13.371 -0.000 -5.131) 14.322 5.501 ( 1.318 -0.000 7.599) 7.712 5.507 ( -8.557 0.000 0.453) 8.569 5.704 ( 1.373 -0.000 -2.440) 2.800 5.809 ( -4.766 0.000 -0.188) 4.770 5.951 ( -5.370 0.000 6.282) 8.265 6.246 ( 5.705 -0.000 -3.820) 6.866 6.446 ( -7.038 0.000 3.523) 7.870 6.544 ( 3.410 -0.000 -0.998) 3.553 6.640 ( -3.070 0.000 -4.393) 5.360 7.414 ( 0.237 -0.000 0.818) 0.852 8.900 ( -0.744 0.000 0.046) 0.745 9.384 ( 2.877 -0.000 -0.054) 2.877 9.943 ( -1.546 0.000 -0.111) 1.550 10.053 ( 0.481 -0.000 0.000) 0.481 10.249 ( 5.796 -0.000 -0.216) 5.800 10.621 ( 1.541 -0.000 -0.110) 1.545 10.706 ( -11.447 0.000 -0.023) 11.447 11.219 ( 10.213 -0.000 -0.004) 10.213 11.244 ( -3.590 0.000 -1.468) 3.879 11.302 ( 1.096 -0.000 -3.601) 3.764 11.557 ( -2.181 0.000 0.072) 2.182 12.567 ( 2.628 -0.000 -0.001) 2.628 12.638 ( -1.931 0.000 5.876) 6.186 13.523 ( -2.474 0.000 -1.741) 3.025 14.800 ( -2.835 0.000 0.767) 2.937 15.459 ( 11.382 -0.000 1.746) 11.515 15.646 ( 1.309 -0.000 -2.505) 2.827 16.726 ( -3.778 0.000 -0.101) 3.779 18.087 ( -0.342 0.000 0.454) 0.569 18.115 ( 0.149 -0.000 -0.458) 0.481 20.446 ( -6.260 0.000 -3.211) 7.036 20.889 ( -2.063 0.000 1.561) 2.587 24.921 ( -3.335 0.000 4.218) 5.377 25.213 ( -4.329 0.000 -6.160) 7.529 ======================= Grid point 274 (133/141) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 4.229 -19.236 2.071) 19.804 1.093 ( 4.052 -4.257 -1.910) 6.180 1.576 ( -19.544 -2.561 -3.415) 20.004 1.750 ( -20.361 -6.868 2.054) 21.586 2.157 ( -1.716 1.443 -0.125) 2.245 2.281 ( -6.478 -7.625 -4.301) 10.891 2.323 ( 9.378 -1.931 0.918) 9.618 2.431 ( 7.603 -3.959 -2.998) 9.081 2.591 ( 1.873 -1.077 0.209) 2.170 2.795 ( 9.053 -8.066 0.152) 12.126 3.123 ( -3.342 1.606 3.007) 4.774 3.196 ( 0.350 1.829 -0.045) 1.863 3.426 ( -2.294 1.917 -0.193) 2.996 3.458 ( -11.664 1.154 4.421) 12.527 3.519 ( -0.773 0.613 -0.369) 1.053 3.619 ( 2.696 2.571 -0.107) 3.727 3.751 ( 1.012 1.609 1.145) 2.219 3.818 ( -3.488 0.114 0.765) 3.572 3.960 ( 5.999 -3.590 0.363) 7.000 4.172 ( -0.993 -5.614 -0.171) 5.704 4.219 ( -1.419 -1.311 1.374) 2.371 4.630 ( 7.638 0.838 -4.037) 8.679 4.699 ( 3.563 2.405 1.999) 4.741 4.863 ( 2.500 -0.736 -2.763) 3.798 5.101 ( 0.974 -0.643 -1.107) 1.609 5.308 ( 12.359 1.914 -3.011) 12.864 5.425 ( -5.900 1.414 3.521) 7.015 5.527 ( -3.763 -2.317 3.770) 5.808 5.673 ( -1.142 1.460 -4.131) 4.528 5.764 ( -3.755 3.663 3.977) 6.583 5.930 ( -3.824 -2.800 2.992) 5.605 6.241 ( 5.698 3.477 -2.091) 6.995 6.347 ( -7.467 4.288 2.432) 8.948 6.549 ( -3.663 4.747 -3.277) 6.833 6.754 ( 2.966 -16.090 -1.435) 16.424 7.550 ( 0.467 -14.155 0.641) 14.177 9.009 ( -0.940 -10.972 0.030) 11.013 9.576 ( 2.204 -16.247 -0.056) 16.396 9.990 ( -2.032 -6.590 -0.129) 6.897 10.072 ( 1.679 -3.061 0.054) 3.492 10.314 ( 5.975 -1.385 -0.470) 6.152 10.598 ( -1.959 1.545 -0.003) 2.496 10.653 ( -5.287 -1.355 -0.271) 5.464 11.074 ( -3.343 8.945 -2.288) 9.819 11.289 ( 3.980 -0.627 0.077) 4.030 11.465 ( 2.759 -10.465 -2.238) 11.051 11.574 ( -0.346 -4.403 -1.066) 4.544 12.585 ( -1.115 0.027 4.229) 4.373 12.665 ( 2.008 -4.088 2.946) 5.425 13.460 ( -3.066 3.578 -2.303) 5.245 14.721 ( -0.620 7.449 1.155) 7.564 15.469 ( 12.187 10.291 0.502) 15.959 15.563 ( 2.091 9.338 -1.363) 9.666 16.631 ( -5.739 6.362 -0.216) 8.571 18.201 ( 0.861 -12.321 0.411) 12.358 18.231 ( 1.582 -12.152 -0.541) 12.267 20.360 ( -9.257 2.692 -3.854) 10.383 20.812 ( -3.405 6.394 1.321) 7.364 24.857 ( -5.024 3.146 2.710) 6.517 25.110 ( -6.730 6.333 -4.468) 10.265 ======================= Grid point 275 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -4.212 -0.262 -0.816) 4.298 1.215 ( -7.185 -2.408 -5.721) 9.495 1.712 ( 3.402 -18.596 1.657) 18.977 1.759 ( -15.674 -10.604 2.915) 19.147 2.109 ( -1.155 2.516 -0.425) 2.801 2.366 ( -0.813 -4.281 -1.383) 4.572 2.487 ( 3.487 -10.418 -2.016) 11.170 2.536 ( 1.927 -6.134 -1.372) 6.574 2.676 ( 0.610 -4.984 -0.732) 5.074 2.949 ( 2.167 2.332 -3.277) 4.569 3.081 ( -5.786 -3.226 4.523) 8.022 3.162 ( 0.045 -0.017 1.820) 1.821 3.362 ( 1.122 7.188 -0.024) 7.275 3.378 ( 3.970 0.873 -1.021) 4.192 3.498 ( -3.447 -1.667 1.015) 3.961 3.576 ( -1.544 -0.146 0.727) 1.713 3.774 ( 0.225 0.290 -0.284) 0.464 3.820 ( -1.378 -2.598 2.351) 3.765 4.047 ( 1.449 -3.660 1.316) 4.150 4.170 ( -4.169 2.519 -0.624) 4.911 4.341 ( 9.386 -6.077 -0.351) 11.187 4.633 ( 2.706 0.817 -4.220) 5.080 4.720 ( 4.962 0.104 4.202) 6.503 4.915 ( 4.840 -1.559 -4.460) 6.763 5.093 ( -2.894 0.913 0.095) 3.036 5.331 ( 4.731 3.722 -4.422) 7.469 5.389 ( 0.874 -0.959 6.078) 6.215 5.529 ( -8.788 -2.780 0.640) 9.239 5.611 ( -6.062 4.500 4.406) 8.741 5.678 ( 2.060 2.226 -1.562) 3.411 5.953 ( -4.368 -2.387 1.665) 5.249 6.188 ( -2.593 6.739 -0.527) 7.240 6.238 ( 0.310 1.315 0.568) 1.466 6.440 ( -1.945 4.057 -1.067) 4.624 7.112 ( 2.132 -20.608 -1.658) 20.785 7.888 ( 1.288 -21.965 0.539) 22.009 9.201 ( 1.303 -9.334 -0.096) 9.425 9.789 ( -7.029 -5.667 -0.183) 9.031 10.056 ( -4.327 -2.878 -0.295) 5.205 10.236 ( 0.278 -8.505 -0.415) 8.520 10.448 ( 5.529 -10.450 0.211) 11.824 10.558 ( 2.800 5.398 0.600) 6.110 10.662 ( -4.649 -7.326 -0.528) 8.693 10.943 ( -2.854 -0.801 -1.239) 3.213 11.385 ( 6.841 -5.709 -0.662) 8.935 11.594 ( 1.964 -4.175 -0.054) 4.614 11.787 ( 3.581 -15.845 -3.173) 16.552 12.566 ( -3.887 0.094 5.975) 7.128 12.774 ( 2.079 -5.336 0.579) 5.756 13.410 ( 0.928 -1.299 -2.578) 3.032 14.516 ( -0.041 15.565 1.365) 15.625 15.269 ( 5.697 17.549 -1.173) 18.488 15.418 ( 7.341 11.707 0.793) 13.841 16.413 ( -7.641 12.084 -0.304) 14.300 18.510 ( 4.093 -19.216 1.584) 19.711 18.547 ( 5.709 -19.008 -1.923) 19.940 20.206 ( -11.174 5.381 -3.691) 12.940 20.610 ( -6.251 11.634 0.866) 13.236 24.744 ( -5.745 4.324 0.269) 7.195 24.906 ( -8.477 8.649 -1.115) 12.162 ======================= Grid point 276 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -10.559 3.906 1.885) 11.415 1.293 ( 6.505 -6.350 -6.878) 11.399 1.786 ( -8.059 -5.601 2.117) 10.040 2.047 ( -1.929 -4.109 -4.142) 6.145 2.060 ( 6.184 -3.517 5.995) 9.304 2.433 ( 1.774 -2.697 0.864) 3.342 2.670 ( -1.899 -6.303 -3.037) 7.250 2.689 ( -0.120 -5.245 1.639) 5.497 2.761 ( -0.533 -7.346 -1.983) 7.628 2.848 ( -0.907 3.521 -1.666) 4.000 3.030 ( -6.326 -0.071 0.928) 6.394 3.187 ( -2.712 -0.828 0.029) 2.836 3.245 ( 2.239 6.667 0.365) 7.042 3.489 ( 0.412 -0.359 -2.101) 2.171 3.520 ( 4.421 -7.923 -0.089) 9.073 3.630 ( 2.551 -3.639 0.255) 4.452 3.759 ( -3.515 -1.628 0.872) 3.970 3.828 ( -0.331 1.627 2.169) 2.732 4.055 ( 0.323 5.050 1.737) 5.350 4.147 ( -2.746 -5.479 -0.915) 6.196 4.482 ( 9.322 0.172 -2.331) 9.610 4.689 ( 4.294 -2.848 0.963) 5.242 4.767 ( 1.846 -4.019 3.515) 5.649 4.955 ( -2.466 0.182 -2.051) 3.213 5.074 ( 3.698 -1.261 -3.991) 5.585 5.308 ( 1.601 1.096 -4.767) 5.147 5.390 ( -4.334 4.338 4.316) 7.499 5.456 ( -2.564 0.467 1.948) 3.254 5.528 ( -3.750 0.897 5.346) 6.591 5.664 ( -0.091 0.637 -2.674) 2.750 5.914 ( -3.329 3.789 3.040) 5.889 6.102 ( -1.552 -0.545 -1.260) 2.072 6.216 ( -0.661 1.432 -0.154) 1.584 6.377 ( -1.905 1.673 0.488) 2.582 7.482 ( 0.862 -18.735 -1.396) 18.806 8.310 ( 1.725 -22.893 0.591) 22.965 9.343 ( 3.764 -3.327 -0.291) 5.032 9.692 ( -12.961 3.033 -0.595) 13.324 10.061 ( -2.524 -1.353 -0.742) 2.958 10.366 ( 0.061 -4.426 0.568) 4.463 10.415 ( -0.585 7.019 1.013) 7.116 10.524 ( -3.830 -0.120 -0.480) 3.862 10.834 ( 2.671 -4.564 0.027) 5.288 11.200 ( 0.018 -26.473 -0.087) 26.473 11.568 ( 7.234 -7.255 -0.368) 10.251 11.692 ( 6.968 -2.735 -0.464) 7.500 12.123 ( 3.451 -17.744 -1.907) 18.176 12.493 ( -8.045 2.850 4.643) 9.717 12.869 ( 0.705 -3.607 -0.661) 3.734 13.584 ( 8.525 -13.559 -2.600) 16.226 14.180 ( -2.876 19.447 1.501) 19.716 15.005 ( 5.574 16.696 -0.348) 17.605 15.261 ( 6.518 11.226 0.555) 12.993 16.089 ( -9.242 16.407 -0.450) 18.837 18.912 ( 7.752 -19.803 3.510) 21.554 18.955 ( 8.692 -19.363 -3.594) 21.527 19.996 ( -11.678 7.755 -2.927) 14.321 20.320 ( -8.567 13.684 0.333) 16.148 24.626 ( -5.671 3.600 -2.166) 7.058 24.709 ( -6.611 5.715 2.124) 8.993 ======================= Grid point 284 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 13.031 -0.000 -3.775) 13.566 1.080 ( -0.805 0.000 5.414) 5.473 1.408 ( -17.478 0.000 -4.869) 18.144 1.489 ( -23.249 0.000 3.566) 23.521 2.030 ( -22.274 0.000 -4.770) 22.779 2.189 ( -1.615 0.000 -0.451) 1.677 2.420 ( 11.194 -0.000 1.713) 11.324 2.443 ( 9.997 -0.000 -9.098) 13.517 2.631 ( -1.620 0.000 2.132) 2.678 2.746 ( 5.344 -0.000 3.193) 6.225 3.141 ( 2.070 -0.000 1.163) 2.374 3.172 ( -9.341 0.000 3.070) 9.833 3.342 ( -10.150 0.000 3.338) 10.685 3.433 ( -2.569 0.000 -0.699) 2.663 3.548 ( 6.676 -0.000 -0.036) 6.677 3.667 ( 2.431 -0.000 1.755) 2.998 3.776 ( 2.686 -0.000 0.222) 2.695 3.868 ( 0.996 -0.000 -0.179) 1.012 3.985 ( 9.995 -0.000 -0.612) 10.013 4.143 ( 5.501 -0.000 1.375) 5.671 4.151 ( -5.153 0.000 -1.589) 5.393 4.701 ( 6.817 -0.000 -1.483) 6.977 4.772 ( 3.280 -0.000 -0.062) 3.281 4.815 ( -3.330 0.000 -0.571) 3.378 5.132 ( 3.993 -0.000 -3.519) 5.322 5.316 ( -15.118 0.000 0.679) 15.133 5.417 ( 9.823 -0.000 1.887) 10.002 5.560 ( 5.461 -0.000 2.344) 5.942 5.705 ( -7.968 0.000 -0.251) 7.972 5.717 ( 0.894 -0.000 0.165) 0.909 5.895 ( -1.523 0.000 4.402) 4.658 6.288 ( -5.089 0.000 3.329) 6.081 6.351 ( -1.454 0.000 -5.096) 5.299 6.577 ( -2.291 0.000 -2.991) 3.768 6.620 ( 5.885 -0.000 -0.807) 5.940 7.417 ( 0.062 -0.000 0.680) 0.682 8.889 ( -0.564 0.000 0.037) 0.565 9.435 ( 3.130 -0.000 -0.072) 3.131 9.908 ( -2.702 0.000 -0.125) 2.705 10.066 ( 1.275 -0.000 0.035) 1.275 10.356 ( 6.441 -0.000 -1.123) 6.539 10.525 ( -10.781 0.000 -0.044) 10.781 10.667 ( 4.509 -0.000 -0.600) 4.548 11.152 ( -9.086 0.000 -2.814) 9.511 11.301 ( -1.368 0.000 -4.365) 4.574 11.373 ( 8.334 -0.000 0.002) 8.334 11.515 ( -2.495 0.000 0.084) 2.496 12.607 ( -2.206 0.000 9.670) 9.919 12.621 ( 3.913 -0.000 -0.003) 3.913 13.454 ( -6.193 0.000 -2.994) 6.878 14.808 ( 5.479 -0.000 1.885) 5.795 15.660 ( 6.670 -0.000 1.198) 6.777 15.695 ( 11.632 -0.000 -2.007) 11.804 16.636 ( -7.469 0.000 -0.427) 7.481 18.081 ( -0.441 0.000 0.455) 0.634 18.117 ( 0.128 -0.000 -0.457) 0.475 20.302 ( -11.016 0.000 -5.048) 12.118 20.847 ( -3.310 0.000 0.357) 3.329 24.836 ( -7.418 0.000 1.281) 7.527 25.106 ( -9.408 0.000 -3.637) 10.086 ======================= Grid point 285 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.511 -5.242 0.263) 5.274 1.161 ( 2.088 -3.283 -2.849) 4.822 1.325 ( -8.740 -16.829 -0.513) 18.970 1.444 ( -17.020 -10.251 5.645) 20.655 1.966 ( -23.020 -13.484 -5.337) 27.207 2.172 ( -2.922 -0.721 -0.578) 3.064 2.472 ( 5.855 0.184 -0.504) 5.880 2.570 ( 0.330 1.635 0.400) 1.716 2.589 ( 5.729 -4.970 -5.815) 9.557 2.900 ( 3.805 -10.872 2.277) 11.742 3.054 ( -8.369 4.599 5.403) 10.972 3.111 ( -4.165 1.304 1.684) 4.678 3.370 ( -0.021 -5.798 0.419) 5.813 3.409 ( 2.315 1.626 -1.207) 3.076 3.549 ( 3.314 6.220 0.711) 7.083 3.656 ( 2.118 3.746 1.773) 4.655 3.789 ( 1.336 3.558 -1.667) 4.150 3.844 ( 7.623 0.344 2.047) 7.901 4.030 ( 2.024 0.715 -1.348) 2.535 4.146 ( -0.272 -2.320 -1.756) 2.922 4.303 ( 10.094 -7.470 1.249) 12.620 4.689 ( 1.048 3.599 -2.994) 4.797 4.757 ( 1.818 0.465 4.022) 4.438 4.870 ( -2.101 -4.293 -2.976) 5.630 5.093 ( -4.723 2.901 -1.484) 5.738 5.281 ( -7.367 -5.269 -0.634) 9.080 5.461 ( 4.830 2.271 5.801) 7.883 5.535 ( 2.215 5.923 -2.701) 6.877 5.603 ( -3.656 0.919 0.635) 3.823 5.768 ( 3.526 2.149 4.173) 5.871 5.875 ( -3.345 -1.222 0.201) 3.567 6.211 ( -7.877 2.271 2.052) 8.451 6.298 ( -1.365 3.252 -3.355) 4.867 6.516 ( 1.797 5.148 -1.006) 5.544 6.822 ( 5.393 -14.332 -2.310) 15.486 7.557 ( 0.471 -14.828 0.530) 14.845 8.996 ( -0.661 -11.036 -0.003) 11.055 9.587 ( -1.366 -11.038 -0.050) 11.122 9.951 ( -2.786 -6.008 -0.180) 6.625 10.114 ( 3.576 -5.077 0.057) 6.210 10.378 ( -3.101 -0.157 -2.210) 3.811 10.484 ( -3.937 -3.358 0.079) 5.175 10.693 ( 5.713 1.754 -1.208) 6.097 10.986 ( -7.042 5.749 -0.672) 9.116 11.318 ( -1.085 -4.222 -3.970) 5.896 11.530 ( 5.709 -6.602 0.203) 8.731 11.561 ( -1.930 -9.211 -2.568) 9.755 12.559 ( -1.917 1.831 8.164) 8.584 12.709 ( 3.066 -4.512 1.928) 5.786 13.388 ( -5.897 0.610 -3.066) 6.674 14.789 ( 10.454 10.123 2.489) 14.763 15.595 ( 3.218 11.447 -2.016) 12.061 15.689 ( 13.616 11.436 1.947) 17.888 16.511 ( -9.342 6.556 -0.552) 11.426 18.219 ( 1.479 -14.720 0.182) 14.796 18.267 ( 3.090 -15.370 -0.545) 15.687 20.187 ( -11.356 2.797 -5.374) 12.871 20.742 ( -5.791 8.003 -0.892) 9.919 24.746 ( -9.028 2.391 -1.170) 9.412 24.961 ( -11.919 6.015 -0.290) 13.354 ======================= Grid point 286 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.517 2.842 3.111) 7.761 1.231 ( 4.402 -6.069 -3.932) 8.466 1.543 ( -8.896 -12.083 4.956) 15.802 1.788 ( 3.990 -23.142 0.098) 23.484 2.058 ( -6.646 -7.343 -1.222) 9.979 2.229 ( -11.707 -14.233 -3.738) 18.804 2.509 ( -2.371 -5.064 0.032) 5.591 2.623 ( 5.869 -2.980 -2.265) 6.961 2.672 ( 0.439 -1.291 -3.389) 3.653 2.895 ( -7.148 4.857 4.064) 9.550 3.012 ( -0.490 1.176 0.961) 1.596 3.185 ( 1.633 -6.373 0.619) 6.608 3.363 ( 1.549 3.172 -1.055) 3.684 3.418 ( 0.685 4.663 1.373) 4.909 3.543 ( 5.164 -8.393 0.429) 9.864 3.585 ( 1.976 5.693 0.134) 6.027 3.726 ( -1.492 3.033 -0.269) 3.391 3.893 ( 5.754 1.938 2.091) 6.422 4.058 ( -0.572 -2.324 -2.949) 3.798 4.139 ( 1.489 2.598 0.457) 3.029 4.520 ( 11.120 -5.820 0.835) 12.579 4.679 ( 3.124 -0.898 -3.328) 4.652 4.742 ( -2.049 0.531 4.237) 4.736 4.906 ( -5.758 -2.333 -0.793) 6.263 5.039 ( -3.787 -2.823 -2.624) 5.404 5.317 ( -2.852 -1.710 -3.302) 4.686 5.387 ( -5.493 2.924 4.219) 7.518 5.494 ( 5.504 3.565 1.112) 6.651 5.562 ( -1.263 2.237 1.566) 3.009 5.714 ( 3.177 4.162 1.291) 5.393 5.896 ( -1.550 -2.123 1.389) 2.973 6.099 ( -6.280 2.955 0.289) 6.947 6.238 ( -2.343 2.162 -1.416) 3.489 6.432 ( 0.956 5.457 0.685) 5.583 7.160 ( 3.729 -18.457 -2.595) 19.008 7.909 ( 1.259 -22.562 0.442) 22.602 9.216 ( 0.609 -12.538 -0.165) 12.554 9.613 ( -14.952 1.360 -0.342) 15.018 9.999 ( -3.424 -2.565 -0.548) 4.313 10.212 ( -4.258 -5.145 -1.203) 6.786 10.500 ( 0.596 0.154 0.184) 0.643 10.560 ( 1.317 -17.429 0.486) 17.486 10.687 ( 6.129 2.509 0.241) 6.627 10.928 ( 0.204 -2.282 0.408) 2.327 11.461 ( 3.003 -9.540 -2.058) 10.211 11.680 ( 8.371 -6.175 -1.629) 10.529 11.820 ( 0.231 -18.561 -4.254) 19.044 12.503 ( -4.086 2.894 7.916) 9.367 12.808 ( 2.137 -4.114 0.769) 4.700 13.411 ( -0.849 -8.527 -3.437) 9.233 14.573 ( 7.455 22.800 2.863) 24.159 15.354 ( 5.325 16.802 -0.372) 17.629 15.546 ( 8.092 13.645 0.858) 15.887 16.261 ( -11.326 12.064 -0.511) 16.555 18.587 ( 5.318 -22.185 2.639) 22.966 18.660 ( 8.592 -21.517 -3.359) 23.411 20.025 ( -10.355 5.620 -4.777) 12.713 20.484 ( -10.067 12.931 -1.086) 16.423 24.624 ( -9.160 2.714 -2.794) 9.953 24.751 ( -10.444 6.220 3.088) 12.543 ======================= Grid point 295 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 7.080 -0.000 -4.044) 8.153 1.019 ( -9.852 0.000 -0.307) 9.857 1.185 ( -10.660 0.000 1.976) 10.842 1.199 ( -8.729 0.000 7.665) 11.616 1.591 ( -30.519 0.000 -6.316) 31.166 2.142 ( -5.911 0.000 1.919) 6.215 2.447 ( -11.382 0.000 1.323) 11.458 2.598 ( 9.310 -0.000 -8.625) 12.691 2.629 ( 6.732 -0.000 -1.570) 6.912 2.772 ( -0.836 0.000 4.906) 4.977 3.026 ( -4.567 0.000 5.314) 7.007 3.210 ( 5.347 -0.000 0.143) 5.349 3.231 ( -7.153 0.000 -0.639) 7.181 3.473 ( 6.315 -0.000 -1.533) 6.498 3.651 ( 6.150 -0.000 1.135) 6.254 3.699 ( 2.455 -0.000 3.041) 3.908 3.848 ( 5.410 -0.000 -2.552) 5.982 3.943 ( 7.708 -0.000 3.030) 8.282 4.093 ( -1.830 0.000 -3.775) 4.196 4.100 ( 4.914 -0.000 -0.869) 4.990 4.292 ( 12.201 -0.000 0.417) 12.209 4.745 ( -1.845 0.000 1.271) 2.241 4.764 ( -2.702 0.000 -0.109) 2.704 4.773 ( -3.058 0.000 -0.552) 3.108 5.051 ( -17.403 0.000 0.732) 17.419 5.191 ( 3.055 -0.000 -3.162) 4.397 5.538 ( 4.786 -0.000 3.910) 6.180 5.566 ( -9.293 0.000 -0.306) 9.298 5.597 ( 0.667 -0.000 1.955) 2.065 5.821 ( 10.144 -0.000 0.097) 10.144 5.881 ( 1.224 -0.000 2.240) 2.553 6.175 ( -6.182 0.000 0.379) 6.194 6.294 ( -5.369 0.000 -3.022) 6.161 6.632 ( 7.824 -0.000 -3.497) 8.569 6.719 ( 6.163 -0.000 -0.616) 6.194 7.416 ( -0.266 0.000 0.602) 0.658 8.884 ( -0.133 0.000 0.005) 0.133 9.474 ( 1.630 -0.000 -0.091) 1.633 9.861 ( -3.143 0.000 -0.128) 3.146 10.094 ( 2.308 -0.000 0.062) 2.309 10.376 ( -7.868 0.000 -0.070) 7.868 10.394 ( -5.696 0.000 -5.723) 8.074 10.725 ( -3.540 0.000 -5.084) 6.195 10.936 ( -11.952 0.000 -0.744) 11.975 11.261 ( -3.317 0.000 -1.822) 3.784 11.432 ( -1.377 0.000 0.033) 1.377 11.529 ( 4.720 -0.000 0.071) 4.720 12.582 ( -0.231 0.000 10.300) 10.303 12.682 ( 3.577 -0.000 -0.002) 3.577 13.334 ( -8.497 0.000 -2.252) 8.790 15.012 ( 20.413 -0.000 3.363) 20.688 15.712 ( 3.176 -0.000 -1.298) 3.431 15.959 ( 17.702 -0.000 2.370) 17.860 16.499 ( -8.922 0.000 -1.168) 8.998 18.074 ( -0.396 0.000 0.439) 0.591 18.118 ( 0.082 -0.000 -0.440) 0.448 20.129 ( -9.440 0.000 -6.326) 11.364 20.772 ( -6.967 0.000 -4.272) 8.172 24.685 ( -11.553 0.000 -3.379) 12.037 24.911 ( -14.648 0.000 2.291) 14.826 ======================= Grid point 296 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -9.170 1.460 1.281) 9.373 1.150 ( -3.112 -4.047 3.670) 6.287 1.242 ( -3.438 -16.938 7.921) 19.012 1.350 ( 4.315 -25.033 -3.731) 25.675 1.559 ( -24.388 -19.891 -6.296) 32.095 2.086 ( -10.232 -1.832 2.300) 10.646 2.370 ( -9.891 -2.503 0.348) 10.209 2.655 ( 7.659 0.241 -3.533) 8.438 2.700 ( 5.710 -0.667 -3.818) 6.901 2.930 ( 0.725 -15.500 1.378) 15.578 2.958 ( -2.405 5.588 3.668) 7.104 3.076 ( -2.519 5.126 -0.265) 5.718 3.362 ( -1.165 -7.385 -0.381) 7.486 3.494 ( 6.923 3.255 -0.854) 7.698 3.615 ( 4.396 7.895 1.182) 9.113 3.706 ( 4.952 3.424 2.609) 6.561 3.833 ( 2.880 6.628 -0.560) 7.248 3.971 ( 7.256 0.941 1.661) 7.503 4.058 ( 3.122 1.669 -3.850) 5.230 4.167 ( 2.592 -1.040 -0.506) 2.838 4.475 ( 9.768 -7.223 0.625) 12.165 4.697 ( -1.430 0.580 -1.540) 2.180 4.725 ( -4.274 0.366 2.819) 5.133 4.795 ( -6.447 -3.403 -0.742) 7.328 4.928 ( -12.118 -1.794 -0.042) 12.250 5.250 ( 0.756 -3.798 -2.846) 4.806 5.421 ( -6.127 5.239 2.821) 8.541 5.565 ( -2.530 -0.111 -0.025) 2.532 5.607 ( 4.758 2.919 2.942) 6.310 5.805 ( -3.823 2.636 -2.494) 5.271 5.920 ( 13.121 3.462 5.666) 14.705 6.110 ( -3.304 3.190 -1.507) 4.834 6.245 ( -3.387 1.346 -1.604) 3.982 6.578 ( 3.581 8.406 -0.568) 9.154 6.915 ( 6.085 -12.813 -3.104) 14.520 7.564 ( 0.259 -15.689 0.404) 15.697 8.988 ( -0.302 -10.810 -0.037) 10.815 9.520 ( -7.862 -1.038 -0.227) 7.933 9.904 ( -3.379 -5.272 -0.378) 6.273 10.096 ( -13.987 0.052 -2.697) 14.245 10.251 ( -0.237 -10.773 -0.871) 10.810 10.508 ( 2.331 -3.695 -1.058) 4.495 10.758 ( -1.562 -10.409 -5.892) 12.063 10.905 ( 1.031 0.615 3.777) 3.963 11.265 ( -5.008 -8.019 -5.387) 10.882 11.503 ( -4.629 -9.562 -1.116) 10.681 11.626 ( 5.455 -6.264 0.123) 8.307 12.548 ( 1.118 3.707 7.890) 8.789 12.754 ( 2.473 -3.915 1.286) 4.806 13.282 ( -6.867 -2.554 -2.106) 7.623 15.064 ( 23.324 15.766 3.992) 28.435 15.644 ( 2.801 10.683 -0.371) 11.050 15.893 ( 10.523 17.339 2.585) 20.446 16.348 ( -10.145 8.367 -1.104) 13.197 18.246 ( 1.695 -17.583 0.001) 17.664 18.332 ( 5.187 -20.636 -1.278) 21.317 20.039 ( -5.908 3.282 -6.054) 9.073 20.604 ( -12.793 9.797 -5.240) 16.944 24.577 ( -11.434 1.220 -3.226) 11.943 24.752 ( -13.342 4.094 4.658) 14.712 ======================= Grid point 306 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -16.048 0.000 1.734) 16.142 0.933 ( -25.924 0.000 7.453) 26.974 1.024 ( 5.182 -0.000 -0.515) 5.208 1.169 ( 0.929 -0.000 0.394) 1.009 1.269 ( -3.676 0.000 0.091) 3.677 1.948 ( -16.923 0.000 1.208) 16.966 2.299 ( -4.369 0.000 1.264) 4.548 2.712 ( 4.073 -0.000 -4.735) 6.246 2.745 ( 6.447 -0.000 -2.196) 6.811 2.758 ( -0.091 0.000 3.059) 3.060 3.011 ( 0.950 -0.000 0.270) 0.987 3.108 ( -7.257 0.000 -1.303) 7.374 3.280 ( 3.138 -0.000 0.257) 3.149 3.579 ( 5.671 -0.000 -0.816) 5.729 3.738 ( 4.533 -0.000 1.301) 4.716 3.751 ( 3.645 -0.000 3.087) 4.776 3.924 ( 2.805 -0.000 -0.653) 2.880 4.056 ( 4.577 -0.000 -1.127) 4.713 4.135 ( 9.030 -0.000 0.009) 9.030 4.165 ( 3.413 -0.000 -1.022) 3.562 4.473 ( 9.180 -0.000 0.034) 9.180 4.642 ( -10.613 0.000 0.791) 10.642 4.697 ( -5.026 0.000 -1.053) 5.135 4.731 ( -3.030 0.000 0.400) 3.057 4.807 ( -10.363 0.000 0.329) 10.368 5.218 ( 0.356 -0.000 -2.118) 2.147 5.424 ( -7.850 0.000 -0.260) 7.855 5.536 ( -1.695 0.000 3.611) 3.989 5.666 ( 4.420 -0.000 2.039) 4.868 5.794 ( -4.554 0.000 -5.449) 7.101 6.040 ( 1.737 -0.000 6.362) 6.595 6.204 ( 8.985 -0.000 -1.223) 9.068 6.256 ( 9.478 -0.000 -0.078) 9.479 6.762 ( 7.133 -0.000 -6.365) 9.560 6.802 ( 3.975 -0.000 -0.502) 4.007 7.410 ( -0.381 0.000 0.605) 0.715 8.883 ( 0.040 -0.000 -0.046) 0.061 9.490 ( 0.533 -0.000 -0.093) 0.541 9.815 ( -2.359 0.000 -0.109) 2.362 9.879 ( -54.818 0.000 -11.464) 56.004 10.137 ( 2.866 -0.000 0.076) 2.867 10.275 ( -4.972 0.000 -0.101) 4.973 10.606 ( -2.213 0.000 -0.022) 2.213 10.973 ( 7.561 -0.000 1.617) 7.732 11.203 ( -3.835 0.000 -0.024) 3.835 11.401 ( -1.654 0.000 0.044) 1.655 11.597 ( 3.128 -0.000 0.063) 3.129 12.621 ( 4.852 -0.000 6.109) 7.802 12.728 ( 2.068 -0.000 0.006) 2.068 13.204 ( -7.076 0.000 -0.527) 7.096 15.409 ( 26.608 -0.000 2.703) 26.745 15.762 ( 2.814 -0.000 -0.131) 2.817 16.121 ( -3.939 0.000 2.524) 4.678 16.473 ( 10.859 -0.000 -1.164) 10.921 18.069 ( -0.222 0.000 0.410) 0.466 18.119 ( 0.027 -0.000 -0.411) 0.412 20.048 ( 0.746 -0.000 -5.611) 5.660 20.576 ( -19.511 0.000 -9.119) 21.537 24.500 ( -8.862 0.000 -0.849) 8.903 24.681 ( -13.066 0.000 4.776) 13.911 =================== 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 3/30000 10.0 49.069 32.648 32.221 0.000 -15.174 -0.000 3/30000 20.0 19.334 12.988 9.666 0.000 -4.694 -0.000 3/30000 30.0 11.136 7.092 4.989 0.000 -2.430 -0.000 3/30000 40.0 7.547 4.729 3.177 0.000 -1.533 -0.000 3/30000 50.0 5.631 3.541 2.270 0.000 -1.082 -0.000 3/30000 60.0 4.475 2.847 1.749 0.000 -0.823 -0.000 3/30000 70.0 3.713 2.400 1.420 0.000 -0.660 -0.000 3/30000 80.0 3.177 2.093 1.196 0.000 -0.550 -0.000 3/30000 90.0 2.781 1.870 1.036 0.000 -0.471 -0.000 3/30000 100.0 2.476 1.701 0.915 0.000 -0.412 -0.000 3/30000 110.0 2.236 1.569 0.822 0.000 -0.367 -0.000 3/30000 120.0 2.040 1.463 0.747 0.000 -0.330 -0.000 3/30000 130.0 1.879 1.376 0.687 0.000 -0.301 -0.000 3/30000 140.0 1.743 1.302 0.636 0.000 -0.276 -0.000 3/30000 150.0 1.628 1.239 0.593 0.000 -0.255 -0.000 3/30000 160.0 1.528 1.185 0.556 0.000 -0.237 -0.000 3/30000 170.0 1.441 1.136 0.524 0.000 -0.222 -0.000 3/30000 180.0 1.364 1.093 0.496 0.000 -0.209 -0.000 3/30000 190.0 1.297 1.054 0.472 0.000 -0.197 -0.000 3/30000 200.0 1.236 1.019 0.449 0.000 -0.186 -0.000 3/30000 210.0 1.182 0.986 0.430 0.000 -0.177 -0.000 3/30000 220.0 1.132 0.956 0.412 0.000 -0.168 -0.000 3/30000 230.0 1.088 0.928 0.395 0.000 -0.160 -0.000 3/30000 240.0 1.047 0.902 0.380 0.000 -0.153 -0.000 3/30000 250.0 1.009 0.877 0.367 0.000 -0.147 -0.000 3/30000 260.0 0.974 0.854 0.354 0.000 -0.141 -0.000 3/30000 270.0 0.942 0.832 0.342 0.000 -0.136 -0.000 3/30000 280.0 0.912 0.811 0.331 0.000 -0.131 -0.000 3/30000 290.0 0.884 0.791 0.321 0.000 -0.126 -0.000 3/30000 300.0 0.858 0.772 0.312 0.000 -0.121 -0.000 3/30000 310.0 0.833 0.755 0.303 0.000 -0.117 -0.000 3/30000 320.0 0.810 0.737 0.294 0.000 -0.114 -0.000 3/30000 330.0 0.788 0.721 0.286 0.000 -0.110 -0.000 3/30000 340.0 0.768 0.705 0.279 0.000 -0.107 -0.000 3/30000 350.0 0.749 0.690 0.272 0.000 -0.103 -0.000 3/30000 360.0 0.730 0.675 0.265 0.000 -0.101 -0.000 3/30000 370.0 0.713 0.661 0.259 0.000 -0.098 -0.000 3/30000 380.0 0.696 0.648 0.253 0.000 -0.095 -0.000 3/30000 390.0 0.680 0.635 0.247 0.000 -0.093 -0.000 3/30000 400.0 0.665 0.623 0.241 0.000 -0.090 -0.000 3/30000 410.0 0.650 0.611 0.236 0.000 -0.088 -0.000 3/30000 420.0 0.637 0.599 0.231 0.000 -0.086 -0.000 3/30000 430.0 0.623 0.588 0.226 0.000 -0.084 -0.000 3/30000 440.0 0.611 0.577 0.221 0.000 -0.082 -0.000 3/30000 450.0 0.598 0.567 0.217 0.000 -0.080 -0.000 3/30000 460.0 0.587 0.556 0.213 0.000 -0.078 -0.000 3/30000 470.0 0.576 0.547 0.209 0.000 -0.076 -0.000 3/30000 480.0 0.565 0.537 0.205 0.000 -0.075 -0.000 3/30000 490.0 0.554 0.528 0.201 0.000 -0.073 -0.000 3/30000 500.0 0.544 0.519 0.197 0.000 -0.072 -0.000 3/30000 510.0 0.535 0.511 0.194 0.000 -0.070 -0.000 3/30000 520.0 0.525 0.502 0.190 0.000 -0.069 -0.000 3/30000 530.0 0.516 0.494 0.187 0.000 -0.067 -0.000 3/30000 540.0 0.507 0.486 0.184 0.000 -0.066 -0.000 3/30000 550.0 0.499 0.479 0.181 0.000 -0.065 -0.000 3/30000 560.0 0.491 0.471 0.178 0.000 -0.064 -0.000 3/30000 570.0 0.483 0.464 0.175 0.000 -0.063 -0.000 3/30000 580.0 0.475 0.457 0.172 0.000 -0.061 -0.000 3/30000 590.0 0.468 0.451 0.169 0.000 -0.060 -0.000 3/30000 600.0 0.461 0.444 0.167 0.000 -0.059 -0.000 3/30000 610.0 0.454 0.438 0.164 0.000 -0.058 -0.000 3/30000 620.0 0.447 0.431 0.162 0.000 -0.057 -0.000 3/30000 630.0 0.440 0.425 0.159 0.000 -0.056 -0.000 3/30000 640.0 0.434 0.419 0.157 0.000 -0.056 -0.000 3/30000 650.0 0.428 0.414 0.155 0.000 -0.055 -0.000 3/30000 660.0 0.422 0.408 0.153 0.000 -0.054 -0.000 3/30000 670.0 0.416 0.403 0.150 0.000 -0.053 -0.000 3/30000 680.0 0.410 0.397 0.148 0.000 -0.052 -0.000 3/30000 690.0 0.405 0.392 0.146 0.000 -0.051 -0.000 3/30000 700.0 0.399 0.387 0.144 0.000 -0.051 -0.000 3/30000 710.0 0.394 0.382 0.142 0.000 -0.050 -0.000 3/30000 720.0 0.389 0.377 0.141 0.000 -0.049 -0.000 3/30000 730.0 0.384 0.373 0.139 0.000 -0.049 -0.000 3/30000 740.0 0.379 0.368 0.137 0.000 -0.048 -0.000 3/30000 750.0 0.374 0.363 0.135 0.000 -0.047 -0.000 3/30000 760.0 0.370 0.359 0.134 0.000 -0.047 -0.000 3/30000 770.0 0.365 0.355 0.132 0.000 -0.046 -0.000 3/30000 780.0 0.361 0.351 0.130 0.000 -0.045 -0.000 3/30000 790.0 0.356 0.347 0.129 0.000 -0.045 -0.000 3/30000 800.0 0.352 0.343 0.127 0.000 -0.044 -0.000 3/30000 810.0 0.348 0.339 0.126 0.000 -0.044 -0.000 3/30000 820.0 0.344 0.335 0.124 0.000 -0.043 -0.000 3/30000 830.0 0.340 0.331 0.123 0.000 -0.043 -0.000 3/30000 840.0 0.336 0.327 0.121 0.000 -0.042 -0.000 3/30000 850.0 0.332 0.324 0.120 0.000 -0.042 -0.000 3/30000 860.0 0.329 0.320 0.119 0.000 -0.041 -0.000 3/30000 870.0 0.325 0.317 0.117 0.000 -0.041 -0.000 3/30000 880.0 0.322 0.314 0.116 0.000 -0.040 -0.000 3/30000 890.0 0.318 0.310 0.115 0.000 -0.040 -0.000 3/30000 900.0 0.315 0.307 0.114 0.000 -0.039 -0.000 3/30000 910.0 0.312 0.304 0.112 0.000 -0.039 -0.000 3/30000 920.0 0.308 0.301 0.111 0.000 -0.038 -0.000 3/30000 930.0 0.305 0.298 0.110 0.000 -0.038 -0.000 3/30000 940.0 0.302 0.295 0.109 0.000 -0.038 -0.000 3/30000 950.0 0.299 0.292 0.108 0.000 -0.037 -0.000 3/30000 960.0 0.296 0.289 0.107 0.000 -0.037 -0.000 3/30000 970.0 0.293 0.286 0.106 0.000 -0.036 -0.000 3/30000 980.0 0.290 0.283 0.105 0.000 -0.036 -0.000 3/30000 990.0 0.287 0.281 0.104 0.000 -0.036 -0.000 3/30000 1000.0 0.285 0.278 0.103 0.000 -0.035 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:38:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|