----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:35:03]------------------------- Compiled with OpenMP support (max 48 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.061271167026758 1.767425732345335 3.950431369999995 b -3.061271167026753 1.767425732345335 3.950431369999995 c 0.000000000000003 -3.534851464690676 3.950431369999995 Atomic positions (fractional): *1 B 0.01565614339715 0.01565614339715 0.32463693003240 10.811 2 B 0.01565614339715 0.32463693003240 0.01565614339715 10.811 *3 B 0.82162298324849 0.27292296355119 0.82162298324849 10.811 4 B 0.82162298324849 0.82162298324850 0.27292296355119 10.811 5 B 0.27292296355119 0.82162298324849 0.82162298324849 10.811 6 B 0.72707703644881 0.17837701675151 0.17837701675151 10.811 7 B 0.17837701675151 0.72707703644881 0.17837701675151 10.811 8 B 0.17837701675151 0.17837701675151 0.72707703644881 10.811 9 B 0.98434385660285 0.67536306996760 0.98434385660285 10.811 10 B 0.98434385660285 0.98434385660285 0.67536306996760 10.811 11 B 0.67536306996760 0.98434385660285 0.98434385660285 10.811 12 B 0.32463693003240 0.01565614339715 0.01565614339715 10.811 *13 As 0.60077472493915 0.60077472493915 0.60077472493915 74.922 14 As 0.39922527506085 0.39922527506085 0.39922527506085 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.122542334053511 0.000000000000000 0.000000000000000 b -3.061271167026756 5.302277197036012 0.000000000000000 c 0.000000000000000 0.000000000000000 11.851294109999998 Atomic positions (fractional): *1 B 0.56367307112159 0.12734614224317 0.45198307227557 10.811 > 1 2 B 0.56367307112159 0.43632692887842 0.45198307227557 10.811 > 2 *3 B 0.84956667323243 0.15043332676757 0.97205631001606 10.811 > 3 4 B 0.84956667323243 0.69913334646487 0.97205631001606 10.811 > 4 5 B 0.30086665353513 0.15043332676757 0.97205631001606 10.811 > 5 6 B 0.03246667979820 0.51623333989910 0.69461035665061 10.811 > 6 7 B 0.48376666010090 0.51623333989910 0.69461035665061 10.811 > 7 8 B 0.48376666010090 0.96753332020180 0.69461035665061 10.811 > 8 9 B 0.76966026221175 0.23033973778825 0.21468359439110 10.811 > 9 10 B 0.76966026221175 0.53932052442350 0.21468359439110 10.811 > 10 11 B 0.46067947557650 0.23033973778825 0.21468359439110 10.811 > 11 12 B 0.87265385775683 0.43632692887842 0.45198307227557 10.811 > 12 13 B 0.23033973778825 0.46067947557650 0.78531640560890 10.811 > 1 14 B 0.23033973778825 0.76966026221175 0.78531640560890 10.811 > 2 15 B 0.51623333989910 0.48376666010090 0.30538964334939 10.811 > 3 16 B 0.51623333989910 0.03246667979820 0.30538964334939 10.811 > 4 17 B 0.96753332020180 0.48376666010090 0.30538964334939 10.811 > 5 18 B 0.69913334646487 0.84956667323243 0.02794368998394 10.811 > 6 19 B 0.15043332676757 0.84956667323243 0.02794368998394 10.811 > 7 20 B 0.15043332676757 0.30086665353513 0.02794368998394 10.811 > 8 21 B 0.43632692887842 0.56367307112159 0.54801692772443 10.811 > 9 22 B 0.43632692887842 0.87265385775683 0.54801692772443 10.811 > 10 23 B 0.12734614224317 0.56367307112159 0.54801692772443 10.811 > 11 24 B 0.53932052442350 0.76966026221175 0.78531640560890 10.811 > 12 25 B 0.89700640445492 0.79401280890984 0.11864973894224 10.811 > 1 26 B 0.89700640445492 0.10299359554508 0.11864973894224 10.811 > 2 27 B 0.18290000656577 0.81709999343423 0.63872297668273 10.811 > 3 28 B 0.18290000656577 0.36580001313153 0.63872297668273 10.811 > 4 29 B 0.63419998686847 0.81709999343423 0.63872297668273 10.811 > 5 30 B 0.36580001313153 0.18290000656577 0.36127702331728 10.811 > 6 31 B 0.81709999343423 0.18290000656577 0.36127702331728 10.811 > 7 32 B 0.81709999343423 0.63419998686847 0.36127702331728 10.811 > 8 33 B 0.10299359554508 0.89700640445492 0.88135026105777 10.811 > 9 34 B 0.10299359554508 0.20598719109016 0.88135026105777 10.811 > 10 35 B 0.79401280890984 0.89700640445492 0.88135026105777 10.811 > 11 36 B 0.20598719109016 0.10299359554508 0.11864973894224 10.811 > 12 *37 As 0.66666666666667 0.33333333333333 0.93410805827248 74.922 > 13 38 As 0.66666666666667 0.33333333333333 0.73255860839418 74.922 > 14 39 As 0.33333333333333 0.66666666666667 0.26744139160582 74.922 > 13 40 As 0.33333333333333 0.66666666666667 0.06589194172751 74.922 > 14 41 As 0.00000000000000 0.00000000000000 0.60077472493915 74.922 > 13 42 As 0.00000000000000 0.00000000000000 0.39922527506085 74.922 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.122542334053511 0.000000000000000 0.000000000000000 b -3.061271167026756 5.302277197036012 0.000000000000000 c 0.000000000000000 0.000000000000000 11.851294109999998 Atomic positions (fractional): *1 B 0.56367307112159 0.12734614224317 0.45198307227557 10.811 > 1 2 B 0.56367307112159 0.43632692887842 0.45198307227557 10.811 > 2 *3 B 0.84956667323243 0.15043332676757 0.97205631001606 10.811 > 3 4 B 0.84956667323243 0.69913334646487 0.97205631001606 10.811 > 4 5 B 0.30086665353513 0.15043332676757 0.97205631001606 10.811 > 5 6 B 0.03246667979820 0.51623333989910 0.69461035665061 10.811 > 6 7 B 0.48376666010090 0.51623333989910 0.69461035665061 10.811 > 7 8 B 0.48376666010090 0.96753332020180 0.69461035665061 10.811 > 8 9 B 0.76966026221175 0.23033973778825 0.21468359439110 10.811 > 9 10 B 0.76966026221175 0.53932052442350 0.21468359439110 10.811 > 10 11 B 0.46067947557650 0.23033973778825 0.21468359439110 10.811 > 11 12 B 0.87265385775683 0.43632692887842 0.45198307227557 10.811 > 12 13 B 0.23033973778825 0.46067947557650 0.78531640560890 10.811 > 1 14 B 0.23033973778825 0.76966026221175 0.78531640560890 10.811 > 2 15 B 0.51623333989910 0.48376666010090 0.30538964334939 10.811 > 3 16 B 0.51623333989910 0.03246667979820 0.30538964334939 10.811 > 4 17 B 0.96753332020180 0.48376666010090 0.30538964334939 10.811 > 5 18 B 0.69913334646487 0.84956667323243 0.02794368998394 10.811 > 6 19 B 0.15043332676757 0.84956667323243 0.02794368998394 10.811 > 7 20 B 0.15043332676757 0.30086665353513 0.02794368998394 10.811 > 8 21 B 0.43632692887842 0.56367307112159 0.54801692772443 10.811 > 9 22 B 0.43632692887842 0.87265385775683 0.54801692772443 10.811 > 10 23 B 0.12734614224317 0.56367307112159 0.54801692772443 10.811 > 11 24 B 0.53932052442350 0.76966026221175 0.78531640560890 10.811 > 12 25 B 0.89700640445492 0.79401280890984 0.11864973894224 10.811 > 1 26 B 0.89700640445492 0.10299359554508 0.11864973894224 10.811 > 2 27 B 0.18290000656577 0.81709999343423 0.63872297668273 10.811 > 3 28 B 0.18290000656577 0.36580001313153 0.63872297668273 10.811 > 4 29 B 0.63419998686847 0.81709999343423 0.63872297668273 10.811 > 5 30 B 0.36580001313153 0.18290000656577 0.36127702331728 10.811 > 6 31 B 0.81709999343423 0.18290000656577 0.36127702331728 10.811 > 7 32 B 0.81709999343423 0.63419998686847 0.36127702331728 10.811 > 8 33 B 0.10299359554508 0.89700640445492 0.88135026105777 10.811 > 9 34 B 0.10299359554508 0.20598719109016 0.88135026105777 10.811 > 10 35 B 0.79401280890984 0.89700640445492 0.88135026105777 10.811 > 11 36 B 0.20598719109016 0.10299359554508 0.11864973894224 10.811 > 12 *37 As 0.66666666666667 0.33333333333333 0.93410805827248 74.922 > 13 38 As 0.66666666666667 0.33333333333333 0.73255860839418 74.922 > 14 39 As 0.33333333333333 0.66666666666667 0.26744139160582 74.922 > 13 40 As 0.33333333333333 0.66666666666667 0.06589194172751 74.922 > 14 41 As 0.00000000000000 0.00000000000000 0.60077472493915 74.922 > 13 42 As 0.00000000000000 0.00000000000000 0.39922527506085 74.922 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6468188 -0.0000000 0.0000000 -0.0000000 7.6468188 0.0000000 0.0000000 0.0000000 7.8786822 -------------------------- Born effective charges -------------------------- 1 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 2 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 3 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 4 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 5 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 6 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 7 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 8 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 9 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 10 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 11 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 12 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 13 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 14 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 ---------------------------------------------------------------------------- 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: 126/126 Permutation basis: 3957/3957 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 262 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (262, 250), data: False |-- (49, 46), data: True |-- (96, 92), data: True |-- (117, 112), data: True ----- Solver_atoms: 1 -- 42 / 42 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 160 - Time: 0.061 Solver_block: 160 / 160 - Time: 0.035 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.100 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 126/126 Permutation basis: 3957/3957 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 262 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (262, 250), data: False |-- (49, 46), data: True |-- (96, 92), data: True |-- (117, 112), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:35:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:35:07]------------------------- Compiled with OpenMP support (max 48 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.061271167026758 1.767425732345335 3.950431369999995 b -3.061271167026753 1.767425732345335 3.950431369999995 c 0.000000000000003 -3.534851464690676 3.950431369999995 Atomic positions (fractional): 1 B 0.01565614339715 0.01565614339715 0.32463693003240 10.811 2 B 0.01565614339715 0.32463693003240 0.01565614339715 10.811 3 B 0.82162298324849 0.27292296355119 0.82162298324849 10.811 4 B 0.82162298324849 0.82162298324850 0.27292296355119 10.811 5 B 0.27292296355119 0.82162298324849 0.82162298324849 10.811 6 B 0.72707703644881 0.17837701675151 0.17837701675151 10.811 7 B 0.17837701675151 0.72707703644881 0.17837701675151 10.811 8 B 0.17837701675151 0.17837701675151 0.72707703644881 10.811 9 B 0.98434385660285 0.67536306996760 0.98434385660285 10.811 10 B 0.98434385660285 0.98434385660285 0.67536306996760 10.811 11 B 0.67536306996760 0.98434385660285 0.98434385660285 10.811 12 B 0.32463693003240 0.01565614339715 0.01565614339715 10.811 13 As 0.60077472493915 0.60077472493915 0.60077472493915 74.922 14 As 0.39922527506085 0.39922527506085 0.39922527506085 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.122542334053511 0.000000000000000 0.000000000000000 b -3.061271167026756 5.302277197036012 0.000000000000000 c 0.000000000000000 0.000000000000000 11.851294109999998 Atomic positions (fractional): 1 B 0.56367307112159 0.12734614224317 0.45198307227557 10.811 > 1 2 B 0.56367307112159 0.43632692887842 0.45198307227557 10.811 > 2 3 B 0.84956667323243 0.15043332676757 0.97205631001606 10.811 > 3 4 B 0.84956667323243 0.69913334646487 0.97205631001606 10.811 > 4 5 B 0.30086665353513 0.15043332676757 0.97205631001606 10.811 > 5 6 B 0.03246667979820 0.51623333989910 0.69461035665061 10.811 > 6 7 B 0.48376666010090 0.51623333989910 0.69461035665061 10.811 > 7 8 B 0.48376666010090 0.96753332020180 0.69461035665061 10.811 > 8 9 B 0.76966026221175 0.23033973778825 0.21468359439110 10.811 > 9 10 B 0.76966026221175 0.53932052442350 0.21468359439110 10.811 > 10 11 B 0.46067947557650 0.23033973778825 0.21468359439110 10.811 > 11 12 B 0.87265385775683 0.43632692887842 0.45198307227557 10.811 > 12 13 B 0.23033973778825 0.46067947557650 0.78531640560890 10.811 > 1 14 B 0.23033973778825 0.76966026221175 0.78531640560890 10.811 > 2 15 B 0.51623333989910 0.48376666010090 0.30538964334939 10.811 > 3 16 B 0.51623333989910 0.03246667979820 0.30538964334939 10.811 > 4 17 B 0.96753332020180 0.48376666010090 0.30538964334939 10.811 > 5 18 B 0.69913334646487 0.84956667323243 0.02794368998394 10.811 > 6 19 B 0.15043332676757 0.84956667323243 0.02794368998394 10.811 > 7 20 B 0.15043332676757 0.30086665353513 0.02794368998394 10.811 > 8 21 B 0.43632692887842 0.56367307112159 0.54801692772443 10.811 > 9 22 B 0.43632692887842 0.87265385775683 0.54801692772443 10.811 > 10 23 B 0.12734614224317 0.56367307112159 0.54801692772443 10.811 > 11 24 B 0.53932052442350 0.76966026221175 0.78531640560890 10.811 > 12 25 B 0.89700640445492 0.79401280890984 0.11864973894224 10.811 > 1 26 B 0.89700640445492 0.10299359554508 0.11864973894224 10.811 > 2 27 B 0.18290000656577 0.81709999343423 0.63872297668273 10.811 > 3 28 B 0.18290000656577 0.36580001313153 0.63872297668273 10.811 > 4 29 B 0.63419998686847 0.81709999343423 0.63872297668273 10.811 > 5 30 B 0.36580001313153 0.18290000656577 0.36127702331728 10.811 > 6 31 B 0.81709999343423 0.18290000656577 0.36127702331728 10.811 > 7 32 B 0.81709999343423 0.63419998686847 0.36127702331728 10.811 > 8 33 B 0.10299359554508 0.89700640445492 0.88135026105777 10.811 > 9 34 B 0.10299359554508 0.20598719109016 0.88135026105777 10.811 > 10 35 B 0.79401280890984 0.89700640445492 0.88135026105777 10.811 > 11 36 B 0.20598719109016 0.10299359554508 0.11864973894224 10.811 > 12 37 As 0.66666666666667 0.33333333333333 0.93410805827248 74.922 > 37 38 As 0.66666666666667 0.33333333333333 0.73255860839418 74.922 > 38 39 As 0.33333333333333 0.66666666666667 0.26744139160582 74.922 > 37 40 As 0.33333333333333 0.66666666666667 0.06589194172751 74.922 > 38 41 As 0.00000000000000 0.00000000000000 0.60077472493915 74.922 > 37 42 As 0.00000000000000 0.00000000000000 0.39922527506085 74.922 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6468188 -0.0000000 0.0000000 -0.0000000 7.6468188 0.0000000 0.0000000 0.0000000 7.8786822 -------------------------- Born effective charges -------------------------- 1 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 2 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 3 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 4 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 5 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 6 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 7 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 8 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 9 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 10 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 11 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 12 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 13 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 14 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxx) 0.00000000 (yxx) 0.00000000 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:35:10]------------------------- Compiled with OpenMP support (max 48 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.061271167026758 1.767425732345335 3.950431369999995 b -3.061271167026753 1.767425732345335 3.950431369999995 c 0.000000000000003 -3.534851464690676 3.950431369999995 Atomic positions (fractional): 1 B 0.01565614339715 0.01565614339715 0.32463693003240 10.811 2 B 0.01565614339715 0.32463693003240 0.01565614339715 10.811 3 B 0.82162298324849 0.27292296355119 0.82162298324849 10.811 4 B 0.82162298324849 0.82162298324850 0.27292296355119 10.811 5 B 0.27292296355119 0.82162298324849 0.82162298324849 10.811 6 B 0.72707703644881 0.17837701675151 0.17837701675151 10.811 7 B 0.17837701675151 0.72707703644881 0.17837701675151 10.811 8 B 0.17837701675151 0.17837701675151 0.72707703644881 10.811 9 B 0.98434385660285 0.67536306996760 0.98434385660285 10.811 10 B 0.98434385660285 0.98434385660285 0.67536306996760 10.811 11 B 0.67536306996760 0.98434385660285 0.98434385660285 10.811 12 B 0.32463693003240 0.01565614339715 0.01565614339715 10.811 13 As 0.60077472493915 0.60077472493915 0.60077472493915 74.922 14 As 0.39922527506085 0.39922527506085 0.39922527506085 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.122542334053511 0.000000000000000 0.000000000000000 b -3.061271167026756 5.302277197036012 0.000000000000000 c 0.000000000000000 0.000000000000000 11.851294109999998 Atomic positions (fractional): 1 B 0.56367307112159 0.12734614224317 0.45198307227557 10.811 > 1 2 B 0.56367307112159 0.43632692887842 0.45198307227557 10.811 > 2 3 B 0.84956667323243 0.15043332676757 0.97205631001606 10.811 > 3 4 B 0.84956667323243 0.69913334646487 0.97205631001606 10.811 > 4 5 B 0.30086665353513 0.15043332676757 0.97205631001606 10.811 > 5 6 B 0.03246667979820 0.51623333989910 0.69461035665061 10.811 > 6 7 B 0.48376666010090 0.51623333989910 0.69461035665061 10.811 > 7 8 B 0.48376666010090 0.96753332020180 0.69461035665061 10.811 > 8 9 B 0.76966026221175 0.23033973778825 0.21468359439110 10.811 > 9 10 B 0.76966026221175 0.53932052442350 0.21468359439110 10.811 > 10 11 B 0.46067947557650 0.23033973778825 0.21468359439110 10.811 > 11 12 B 0.87265385775683 0.43632692887842 0.45198307227557 10.811 > 12 13 B 0.23033973778825 0.46067947557650 0.78531640560890 10.811 > 1 14 B 0.23033973778825 0.76966026221175 0.78531640560890 10.811 > 2 15 B 0.51623333989910 0.48376666010090 0.30538964334939 10.811 > 3 16 B 0.51623333989910 0.03246667979820 0.30538964334939 10.811 > 4 17 B 0.96753332020180 0.48376666010090 0.30538964334939 10.811 > 5 18 B 0.69913334646487 0.84956667323243 0.02794368998394 10.811 > 6 19 B 0.15043332676757 0.84956667323243 0.02794368998394 10.811 > 7 20 B 0.15043332676757 0.30086665353513 0.02794368998394 10.811 > 8 21 B 0.43632692887842 0.56367307112159 0.54801692772443 10.811 > 9 22 B 0.43632692887842 0.87265385775683 0.54801692772443 10.811 > 10 23 B 0.12734614224317 0.56367307112159 0.54801692772443 10.811 > 11 24 B 0.53932052442350 0.76966026221175 0.78531640560890 10.811 > 12 25 B 0.89700640445492 0.79401280890984 0.11864973894224 10.811 > 1 26 B 0.89700640445492 0.10299359554508 0.11864973894224 10.811 > 2 27 B 0.18290000656577 0.81709999343423 0.63872297668273 10.811 > 3 28 B 0.18290000656577 0.36580001313153 0.63872297668273 10.811 > 4 29 B 0.63419998686847 0.81709999343423 0.63872297668273 10.811 > 5 30 B 0.36580001313153 0.18290000656577 0.36127702331728 10.811 > 6 31 B 0.81709999343423 0.18290000656577 0.36127702331728 10.811 > 7 32 B 0.81709999343423 0.63419998686847 0.36127702331728 10.811 > 8 33 B 0.10299359554508 0.89700640445492 0.88135026105777 10.811 > 9 34 B 0.10299359554508 0.20598719109016 0.88135026105777 10.811 > 10 35 B 0.79401280890984 0.89700640445492 0.88135026105777 10.811 > 11 36 B 0.20598719109016 0.10299359554508 0.11864973894224 10.811 > 12 37 As 0.66666666666667 0.33333333333333 0.93410805827248 74.922 > 37 38 As 0.66666666666667 0.33333333333333 0.73255860839418 74.922 > 38 39 As 0.33333333333333 0.66666666666667 0.26744139160582 74.922 > 37 40 As 0.33333333333333 0.66666666666667 0.06589194172751 74.922 > 38 41 As 0.00000000000000 0.00000000000000 0.60077472493915 74.922 > 37 42 As 0.00000000000000 0.00000000000000 0.39922527506085 74.922 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6468188 -0.0000000 0.0000000 -0.0000000 7.6468188 0.0000000 0.0000000 0.0000000 7.8786822 -------------------------- Born effective charges -------------------------- 1 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 2 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 3 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 4 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 5 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 6 B 0.0939229 0.3982594 -0.1035083 0.3982594 -0.3659475 -0.0597606 -0.3080931 -0.1778776 -0.3832751 7 B 0.0939229 -0.3982594 0.1035083 -0.3982594 -0.3659475 -0.0597606 0.3080931 -0.1778776 -0.3832751 8 B -0.5958826 -0.0000000 -0.0000000 -0.0000000 0.3238581 0.1195211 -0.0000000 0.3557553 -0.3832751 9 B -0.0612674 -0.1530400 -0.2149893 -0.1530400 -0.2379828 0.1241241 -0.3076347 0.1776130 -0.0468255 10 B -0.3263405 -0.0000000 0.0000000 -0.0000000 0.0270902 -0.2482483 -0.0000000 -0.3552260 -0.0468255 11 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 12 B -0.0612674 0.1530400 0.2149893 0.1530400 -0.2379828 0.1241241 0.3076347 0.1776130 -0.0468255 13 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 14 As 0.8569121 -0.0000000 0.0000000 -0.0000000 0.8569121 -0.0000000 -0.0000000 -0.0000000 1.2903018 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxx) 0.00000000 (yxx) 0.00000000 (yxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.82, Number of G-points: 277, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 116 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 6.748 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 16.786 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.906 ( 0.000 0.000 0.000) 0.000 19.115 ( 0.000 0.000 0.000) 0.000 20.585 ( 0.000 0.000 0.000) 0.000 20.585 ( 0.000 0.000 0.000) 0.000 22.031 ( 0.000 0.000 0.000) 0.000 22.031 ( 0.000 0.000 0.000) 0.000 22.261 ( 0.000 0.000 0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 23.803 ( 0.000 0.000 0.000) 0.000 23.988 ( 0.000 0.000 0.000) 0.000 23.988 ( 0.000 0.000 0.000) 0.000 24.033 ( 0.000 0.000 0.000) 0.000 24.033 ( 0.000 0.000 0.000) 0.000 24.980 ( 0.000 0.000 0.000) 0.000 26.959 ( 0.000 0.000 0.000) 0.000 27.056 ( 0.000 0.000 0.000) 0.000 29.137 ( 0.000 0.000 0.000) 0.000 29.137 ( 0.000 0.000 0.000) 0.000 29.209 ( 0.000 0.000 0.000) 0.000 29.404 ( 0.000 0.000 0.000) 0.000 29.404 ( 0.000 0.000 0.000) 0.000 29.892 ( 0.000 0.000 0.000) 0.000 30.607 ( 0.000 0.000 0.000) 0.000 30.607 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 42.957 24.801 38.489) 62.784 1.333 ( 47.286 27.300 30.775) 62.677 2.054 ( 79.949 46.158 31.467) 97.533 6.785 ( -5.009 -2.892 14.601) 15.704 6.994 ( -0.564 -0.326 -2.198) 2.293 7.130 ( 8.268 4.773 3.387) 10.130 8.974 ( -1.134 -0.655 1.854) 2.270 11.185 ( -0.039 -0.022 -7.646) 7.647 11.253 ( -1.345 -0.776 -4.383) 4.650 11.981 ( -5.071 -2.928 -11.775) 13.150 14.038 ( -22.427 -12.948 -3.945) 26.195 14.160 ( -16.582 -9.574 10.175) 21.683 14.949 ( 8.358 4.825 -6.679) 11.736 15.010 ( 11.138 6.430 -3.040) 13.215 16.937 ( 9.566 5.523 7.635) 13.428 17.634 ( 0.038 0.022 4.964) 4.964 17.658 ( -0.317 -0.183 6.568) 6.579 17.943 ( 1.129 0.652 4.104) 4.306 19.139 ( 1.764 1.019 0.335) 2.065 20.527 ( -3.031 -1.750 -6.274) 7.184 20.576 ( 0.037 0.021 -2.414) 2.415 21.756 ( -14.295 -8.253 -23.070) 28.367 22.037 ( 0.112 0.065 0.966) 0.974 22.169 ( -4.802 -2.773 1.086) 5.651 22.414 ( -1.009 -0.583 3.929) 4.098 22.487 ( 2.931 1.692 -4.551) 5.672 23.680 ( -6.209 -3.585 -7.539) 10.404 23.894 ( 0.514 0.296 -7.129) 7.154 23.943 ( 3.489 2.015 -12.219) 12.866 24.168 ( 1.656 0.956 14.589) 14.713 24.223 ( -1.498 -0.865 28.042) 28.095 25.100 ( 10.680 6.166 -0.877) 12.363 26.960 ( 0.089 0.052 -0.065) 0.122 27.085 ( 0.830 0.479 1.083) 1.446 29.085 ( -2.097 -1.211 -4.420) 5.040 29.130 ( -0.741 -0.428 -0.357) 0.927 29.196 ( -1.431 -0.826 1.510) 2.238 29.470 ( 2.923 1.687 5.413) 6.379 29.497 ( 2.694 1.556 -0.980) 3.262 29.911 ( 1.795 1.036 -0.037) 2.073 30.595 ( -0.996 -0.575 -0.305) 1.190 30.606 ( -0.024 -0.014 -0.140) 0.143 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 41.705 24.079 35.928) 60.083 2.530 ( 39.595 22.860 25.461) 52.332 3.963 ( 73.693 42.547 21.254) 87.708 6.870 ( 1.162 0.671 16.391) 16.446 6.928 ( -3.419 -1.974 -4.629) 6.083 7.379 ( 10.476 6.049 5.885) 13.453 8.963 ( -2.136 -1.233 4.280) 4.939 11.085 ( -1.388 -0.801 -13.400) 13.496 11.167 ( -3.511 -2.027 -2.483) 4.754 11.696 ( -7.904 -4.563 -18.477) 20.609 13.438 ( -27.442 -15.844 -6.654) 32.379 13.925 ( -14.307 -8.260 16.225) 23.156 15.014 ( 3.377 1.950 -8.142) 9.028 15.192 ( 8.188 4.727 -3.949) 10.246 17.208 ( 8.157 4.709 1.646) 9.561 17.704 ( -1.304 -0.753 6.699) 6.866 17.780 ( 6.962 4.019 17.471) 19.231 18.029 ( 1.583 0.914 8.414) 8.610 19.170 ( 0.600 0.347 -1.521) 1.671 20.332 ( -6.208 -3.584 -16.522) 18.010 20.536 ( -0.965 -0.557 -5.428) 5.541 21.200 ( -16.306 -9.414 -20.073) 27.522 22.050 ( -0.074 -0.043 1.962) 1.964 22.065 ( -4.716 -2.723 -1.787) 5.731 22.432 ( -1.544 -0.892 7.140) 7.359 22.478 ( 0.798 0.461 -5.541) 5.617 23.466 ( -5.103 -2.946 -12.511) 13.829 23.885 ( 1.515 0.875 -1.888) 2.574 23.921 ( 1.731 0.999 -6.872) 7.156 24.313 ( 1.840 1.062 10.067) 10.289 24.388 ( -3.205 -1.851 23.276) 23.568 25.393 ( 14.186 8.190 2.579) 16.582 26.961 ( 0.112 0.065 -0.140) 0.191 27.122 ( 2.742 1.583 -1.741) 3.614 29.001 ( -1.892 -1.092 -4.341) 4.860 29.092 ( -2.675 -1.545 0.498) 3.129 29.189 ( -0.255 -0.147 1.252) 1.286 29.558 ( 2.490 1.438 1.222) 3.124 29.589 ( 3.254 1.879 6.006) 7.085 29.967 ( 3.167 1.828 0.189) 3.662 30.559 ( -1.868 -1.078 -0.582) 2.234 30.604 ( -0.034 -0.019 -0.254) 0.256 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 26.482 15.290 16.418) 34.708 3.677 ( 38.905 22.462 31.685) 54.973 5.570 ( 61.982 35.785 6.907) 71.903 6.742 ( -9.334 -5.389 -7.795) 13.302 7.103 ( 5.823 3.362 18.048) 19.260 7.668 ( 9.903 5.717 8.929) 14.508 8.950 ( -3.660 -2.113 6.788) 7.996 10.862 ( -7.513 -4.337 -16.949) 19.040 11.079 ( -3.633 -2.097 1.621) 4.497 11.427 ( -2.110 -1.218 -14.805) 15.004 12.781 ( -25.975 -14.996 -7.715) 30.969 13.811 ( -9.294 -5.366 16.587) 19.756 14.977 ( -0.127 -0.074 -7.538) 7.540 15.313 ( 5.796 3.346 -2.333) 7.087 17.294 ( 1.886 1.089 -2.708) 3.475 17.676 ( -4.668 -2.695 -0.711) 5.436 18.130 ( -0.596 -0.344 11.307) 11.328 18.206 ( 13.848 7.995 22.506) 27.608 19.099 ( -3.403 -1.965 -8.006) 8.919 20.036 ( -4.596 -2.654 -18.275) 19.031 20.435 ( -3.017 -1.742 -8.384) 9.079 20.802 ( -9.740 -5.623 -7.274) 13.394 21.940 ( -4.346 -2.509 -3.454) 6.092 22.064 ( -0.484 -0.280 2.522) 2.584 22.446 ( 0.211 0.122 -4.114) 4.121 22.467 ( -1.386 -0.800 8.581) 8.729 23.263 ( -3.228 -1.864 -13.251) 13.765 23.901 ( 0.787 0.455 -4.121) 4.220 23.910 ( 1.388 0.801 -0.359) 1.642 24.415 ( 1.223 0.706 6.334) 6.489 24.488 ( -2.298 -1.327 15.062) 15.294 25.709 ( 11.125 6.423 4.595) 13.643 26.962 ( 0.076 0.044 -0.179) 0.199 27.169 ( 3.148 1.817 -2.538) 4.433 28.936 ( -1.205 -0.696 -3.088) 3.387 29.033 ( -3.009 -1.737 0.892) 3.587 29.199 ( 0.310 0.179 0.748) 0.829 29.618 ( 1.846 1.066 1.589) 2.658 29.701 ( 2.598 1.500 4.831) 5.687 30.047 ( 3.738 2.158 0.588) 4.356 30.506 ( -2.447 -1.413 -0.782) 2.932 30.601 ( -0.028 -0.016 -0.293) 0.295 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( 12.058 6.962 7.044) 15.604 4.709 ( 32.761 18.914 25.070) 45.382 6.376 ( -16.476 -9.512 -11.756) 22.364 6.741 ( 43.249 24.970 -3.978) 50.097 7.355 ( 3.353 1.936 13.872) 14.402 7.924 ( 5.855 3.381 7.783) 10.310 8.894 ( -6.704 -3.871 5.748) 9.642 10.550 ( -7.454 -4.303 -11.921) 14.703 11.054 ( -1.359 -0.784 5.036) 5.275 11.340 ( 1.572 0.908 -7.725) 7.936 12.246 ( -16.302 -9.412 -5.494) 19.609 13.779 ( -4.604 -2.658 10.587) 11.847 14.907 ( -0.943 -0.545 -4.876) 4.997 15.414 ( 4.119 2.378 0.364) 4.770 17.294 ( 0.339 0.196 -1.648) 1.694 17.471 ( -9.075 -5.239 -8.009) 13.189 18.183 ( -1.344 -0.776 6.710) 6.887 18.662 ( 11.030 6.368 16.235) 20.635 18.963 ( -1.622 -0.936 -6.353) 6.623 19.885 ( -0.338 -0.195 -6.980) 6.990 20.278 ( -4.068 -2.348 -8.329) 9.562 20.613 ( -4.511 -2.604 -2.339) 5.709 21.834 ( -2.635 -1.521 -2.630) 4.022 22.071 ( -0.539 -0.311 1.863) 1.965 22.422 ( 0.067 0.038 -2.091) 2.092 22.511 ( -0.782 -0.452 6.627) 6.689 23.114 ( -1.390 -0.802 -9.364) 9.501 23.887 ( 0.302 0.174 -2.003) 2.033 23.932 ( 0.759 0.438 -0.014) 0.877 24.474 ( 0.555 0.320 3.047) 3.113 24.546 ( -1.038 -0.599 7.355) 7.452 25.930 ( 5.838 3.371 3.251) 7.484 26.962 ( 0.031 0.018 -0.127) 0.132 27.210 ( 2.110 1.218 -1.799) 3.029 28.897 ( -0.551 -0.318 -1.564) 1.689 28.984 ( -1.934 -1.117 0.590) 2.310 29.211 ( 0.281 0.162 0.379) 0.499 29.660 ( 0.970 0.560 0.999) 1.500 29.778 ( 1.426 0.824 2.683) 3.148 30.130 ( 3.043 1.757 0.709) 3.585 30.446 ( -2.256 -1.302 -0.734) 2.706 30.598 ( -0.015 -0.009 -0.205) 0.205 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 0.000 0.000 0.000) 0.000 5.333 ( -0.000 -0.000 -0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 -0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 15.470 ( 0.000 0.000 0.000) 0.000 17.290 ( 0.000 0.000 -0.000) 0.000 17.302 ( 0.000 0.000 0.000) 0.000 18.195 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 18.926 ( 0.000 0.000 -0.000) 0.000 19.857 ( 0.000 0.000 0.000) 0.000 20.181 ( 0.000 0.000 0.000) 0.000 20.555 ( 0.000 0.000 0.000) 0.000 21.793 ( 0.000 0.000 0.000) 0.000 22.073 ( 0.000 0.000 0.000) 0.000 22.414 ( 0.000 0.000 0.000) 0.000 22.533 ( 0.000 0.000 -0.000) 0.000 23.057 ( 0.000 0.000 0.000) 0.000 23.882 ( 0.000 0.000 0.000) 0.000 23.941 ( 0.000 0.000 0.000) 0.000 24.492 ( 0.000 0.000 0.000) 0.000 24.566 ( 0.000 0.000 0.000) 0.000 26.009 ( 0.000 0.000 -0.000) 0.000 26.961 ( 0.000 0.000 0.000) 0.000 27.226 ( 0.000 0.000 0.000) 0.000 28.885 ( 0.000 0.000 0.000) 0.000 28.964 ( 0.000 0.000 0.000) 0.000 29.216 ( 0.000 0.000 -0.000) 0.000 29.675 ( 0.000 0.000 0.000) 0.000 29.805 ( 0.000 0.000 0.000) 0.000 30.172 ( 0.000 0.000 0.000) 0.000 30.413 ( 0.000 0.000 0.000) 0.000 30.597 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.000 33.341 45.508) 56.415 1.600 ( -0.000 35.377 49.459) 60.809 2.610 ( -0.000 80.631 56.555) 98.488 6.899 ( 0.000 -6.968 9.529) 11.805 7.011 ( -0.000 1.024 -0.857) 1.335 7.167 ( -0.000 7.390 12.720) 14.710 9.000 ( -0.000 -1.599 4.663) 4.930 11.098 ( 0.000 -3.721 -13.785) 14.279 11.181 ( 0.000 2.445 -9.659) 9.963 11.855 ( 0.000 -2.882 -20.761) 20.960 13.969 ( 0.000 -31.095 -3.659) 31.310 14.197 ( 0.000 -23.129 8.227) 24.549 14.939 ( -0.000 15.958 -8.465) 18.064 15.025 ( -0.000 17.394 0.312) 17.397 17.024 ( -0.000 6.934 15.199) 16.706 17.660 ( -0.000 -3.713 7.404) 8.282 17.775 ( -0.000 3.857 14.153) 14.669 17.982 ( -0.000 1.380 5.445) 5.617 19.145 ( -0.000 1.986 0.789) 2.137 20.468 ( 0.000 -3.413 -12.384) 12.846 20.524 ( 0.000 -0.952 -5.783) 5.861 21.599 ( 0.000 -12.766 -24.412) 27.548 21.941 ( 0.000 2.126 -14.828) 14.980 22.134 ( 0.000 -9.445 2.268) 9.714 22.366 ( 0.000 -2.615 -3.725) 4.551 22.559 ( -0.000 9.791 -1.416) 9.893 23.624 ( 0.000 -8.749 -5.706) 10.445 23.693 ( 0.000 -10.296 -6.717) 12.293 23.978 ( -0.000 9.287 -3.163) 9.811 24.242 ( -0.000 -7.414 18.443) 19.877 24.598 ( -0.000 10.822 32.141) 33.914 25.046 ( -0.000 10.263 -5.944) 11.860 26.959 ( -0.000 0.116 -0.117) 0.165 27.087 ( 0.000 0.102 -0.914) 0.919 29.050 ( 0.000 -2.152 -5.481) 5.888 29.111 ( 0.000 0.295 -2.969) 2.983 29.229 ( -0.000 -1.502 4.425) 4.673 29.448 ( -0.000 0.271 4.146) 4.155 29.562 ( -0.000 4.755 4.327) 6.429 29.915 ( -0.000 2.620 0.425) 2.654 30.595 ( 0.000 -0.994 -0.285) 1.034 30.601 ( 0.000 -0.087 -0.438) 0.447 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 31.463 23.466 44.222) 59.128 2.498 ( 25.211 31.420 32.493) 51.755 3.981 ( 24.701 70.654 39.411) 84.590 6.900 ( -1.606 -2.438 1.919) 3.493 7.020 ( 0.794 2.167 3.697) 4.359 7.429 ( 3.287 9.652 20.780) 23.147 9.026 ( -1.185 -2.243 8.330) 8.707 10.934 ( 0.431 -3.913 -16.197) 16.668 11.077 ( 1.496 -3.164 -18.732) 19.056 11.613 ( -5.061 2.332 -22.236) 22.924 13.513 ( -14.114 -32.547 -1.289) 35.499 14.001 ( -2.241 -23.671 7.230) 24.852 15.015 ( -1.192 12.025 -5.318) 13.202 15.216 ( 0.773 16.744 1.694) 16.847 17.240 ( 1.415 4.164 14.214) 14.879 17.715 ( 2.651 -4.980 9.277) 10.858 17.949 ( -0.333 7.966 17.474) 19.208 18.089 ( 2.671 2.377 10.409) 11.006 19.167 ( -0.518 1.262 -0.864) 1.615 20.220 ( -5.158 -7.092 -23.248) 24.847 20.466 ( 0.696 -1.388 -8.225) 8.371 21.179 ( -11.116 -9.234 -18.297) 23.315 21.892 ( 8.927 -1.180 -18.010) 20.135 22.056 ( -2.212 -6.335 0.392) 6.722 22.308 ( 1.785 -5.076 -4.410) 6.957 22.611 ( -2.048 11.148 -4.534) 12.208 23.411 ( -5.744 -9.393 -5.120) 12.143 23.651 ( 7.452 -14.623 2.230) 16.563 24.024 ( -2.077 8.011 -0.914) 8.326 24.336 ( 2.085 -5.573 13.463) 14.719 24.793 ( -13.476 12.312 16.990) 24.937 25.289 ( 14.195 10.506 6.659) 18.873 26.959 ( 0.048 0.154 -0.172) 0.235 27.091 ( 1.200 2.276 -2.596) 3.655 28.973 ( -0.960 -1.801 -4.964) 5.368 29.088 ( -0.144 -0.217 -3.075) 3.086 29.236 ( -2.209 -1.078 5.456) 5.984 29.521 ( 3.529 -0.249 3.642) 5.077 29.640 ( 0.665 2.805 4.581) 5.413 29.967 ( 1.153 4.311 1.526) 4.716 30.570 ( -1.208 -1.330 -0.347) 1.830 30.600 ( 0.141 -0.080 -0.210) 0.265 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 21.838 15.094 24.874) 36.379 3.621 ( 36.563 27.503 31.389) 55.484 5.300 ( 33.128 53.977 18.726) 66.042 6.783 ( -8.100 -2.479 -5.623) 10.168 7.169 ( 7.073 2.921 7.691) 10.849 7.773 ( 2.078 10.760 24.890) 27.196 9.059 ( -3.070 -3.114 13.020) 13.734 10.704 ( -1.666 -7.264 -26.565) 27.591 10.940 ( 7.093 -3.754 -15.080) 17.082 11.414 ( -5.825 10.453 -17.644) 21.319 12.934 ( -20.858 -30.099 5.364) 37.010 13.832 ( 1.424 -21.875 4.902) 22.463 15.030 ( -4.918 8.170 -0.865) 9.575 15.382 ( -1.308 15.252 3.361) 15.673 17.341 ( -3.185 0.033 10.209) 10.694 17.729 ( -4.205 -4.109 3.347) 6.765 18.202 ( 2.792 0.191 11.672) 12.003 18.308 ( 6.581 9.444 20.656) 23.647 19.080 ( -5.152 -1.937 -8.750) 10.337 19.886 ( -0.726 -5.715 -20.105) 20.914 20.371 ( -1.163 -1.737 -9.785) 10.006 20.839 ( -8.599 -4.404 -9.017) 13.216 21.870 ( 9.195 -4.360 -17.918) 20.606 21.958 ( -1.494 -1.821 -5.531) 6.012 22.263 ( 3.427 -7.701 -1.895) 8.639 22.634 ( -2.011 11.969 -7.967) 14.518 23.213 ( -4.550 -8.888 -0.507) 9.998 23.664 ( 7.331 -16.770 6.937) 19.573 24.051 ( -2.935 6.449 0.961) 7.150 24.423 ( 2.116 -2.800 8.097) 8.825 24.789 ( -11.831 12.474 5.476) 18.043 25.668 ( 10.057 7.929 11.920) 17.496 26.960 ( 0.045 0.160 -0.192) 0.254 27.125 ( 2.445 3.106 -2.606) 4.735 28.910 ( -0.290 -1.354 -3.751) 3.999 29.046 ( -1.336 -0.803 -2.485) 2.933 29.238 ( -2.119 -0.135 4.875) 5.317 29.598 ( 2.938 -0.160 2.000) 3.558 29.712 ( 1.933 0.388 3.747) 4.234 30.052 ( 1.441 5.259 2.308) 5.921 30.527 ( -2.108 -1.549 -0.138) 2.619 30.600 ( -0.061 0.020 0.111) 0.129 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( 13.618 6.586 10.237) 18.266 4.672 ( 30.020 26.408 26.816) 48.142 6.360 ( 28.431 31.479 3.570) 42.568 6.488 ( -12.075 -2.450 -8.409) 14.917 7.387 ( 8.124 2.058 6.691) 10.724 8.059 ( -2.219 7.861 19.212) 20.877 9.048 ( -8.554 -5.661 13.260) 16.764 10.388 ( 1.982 -8.753 -24.773) 26.348 10.978 ( 8.439 7.710 -13.268) 17.513 11.304 ( -2.532 9.385 -14.954) 17.836 12.421 ( -19.984 -25.280 17.354) 36.600 13.704 ( 4.549 -19.565 -1.313) 20.129 15.015 ( -7.156 7.189 4.713) 11.185 15.524 ( -2.868 13.953 5.469) 15.258 17.335 ( -4.527 -4.265 6.868) 9.266 17.549 ( -11.114 -1.912 -3.279) 11.744 18.240 ( -2.148 -3.306 4.263) 5.806 18.698 ( 8.413 6.706 15.447) 18.824 18.934 ( -1.092 -0.175 -4.299) 4.439 19.783 ( 4.444 -2.676 -7.094) 8.788 20.244 ( -2.512 -0.710 -8.610) 8.997 20.642 ( -4.966 -1.879 -4.987) 7.284 21.803 ( 3.494 -4.205 -10.606) 11.932 21.898 ( 6.620 -0.515 -16.934) 18.189 22.241 ( 4.195 -8.928 0.231) 9.867 22.635 ( -1.566 11.721 -11.447) 16.458 23.101 ( -2.398 -6.976 5.708) 9.328 23.686 ( 6.355 -17.933 10.521) 21.741 24.067 ( -3.264 5.202 1.965) 6.448 24.485 ( 1.062 -0.607 4.017) 4.200 24.745 ( -9.851 11.985 -1.099) 15.553 25.938 ( 4.174 4.752 9.552) 11.456 26.961 ( 0.027 0.153 -0.131) 0.203 27.179 ( 2.467 2.840 -1.108) 3.922 28.875 ( 0.575 -1.063 -2.497) 2.774 28.995 ( -1.635 -0.593 -1.762) 2.476 29.244 ( -1.802 0.388 3.461) 3.921 29.646 ( 1.858 -0.086 0.348) 1.892 29.767 ( 2.054 -1.435 2.341) 3.429 30.142 ( 1.016 5.083 2.071) 5.582 30.473 ( -2.636 -1.446 0.345) 3.026 30.600 ( -0.219 0.065 0.445) 0.501 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 3.444 -0.303 0.610) 3.511 5.473 ( 7.810 22.881 13.102) 27.499 5.998 ( -12.904 -9.294 -7.395) 17.538 7.065 ( 19.852 13.161 -3.381) 24.057 7.547 ( 0.440 -0.404 7.562) 7.586 8.145 ( -8.884 2.561 10.425) 13.934 8.888 ( -10.398 -6.174 4.561) 12.924 10.253 ( 10.272 -4.544 -13.774) 17.773 11.060 ( 1.033 20.151 -22.356) 30.115 11.287 ( 3.921 3.054 -2.806) 5.708 12.122 ( -10.804 -21.034 23.650) 33.444 13.582 ( 7.023 -16.054 -10.134) 20.242 15.027 ( -7.538 7.729 10.200) 14.853 15.614 ( -6.695 10.733 4.251) 13.345 17.244 ( 0.233 -4.791 2.666) 5.488 17.440 ( -6.671 3.671 7.946) 11.005 18.190 ( -1.710 -2.552 -1.499) 3.419 18.861 ( 0.343 -1.490 0.515) 1.613 18.949 ( -0.685 1.831 1.720) 2.604 19.807 ( 4.867 -2.421 -0.076) 5.437 20.186 ( 0.659 2.484 -0.448) 2.609 20.557 ( -0.860 0.422 -2.095) 2.304 21.753 ( 5.436 -3.278 -9.960) 11.811 21.869 ( 8.610 0.569 -18.845) 20.727 22.232 ( 4.558 -9.549 1.284) 10.659 22.616 ( -1.554 10.571 -11.398) 15.623 23.095 ( 0.350 -4.277 8.714) 9.713 23.711 ( 5.179 -18.463 13.535) 23.472 24.076 ( -3.403 4.132 2.459) 5.891 24.511 ( -0.601 0.334 1.500) 1.650 24.675 ( -8.280 12.107 -7.291) 16.380 26.051 ( -1.655 1.522 5.227) 5.690 26.962 ( 0.011 0.138 -0.007) 0.138 27.231 ( 0.985 1.724 0.976) 2.212 28.866 ( 1.450 -0.926 -1.477) 2.268 28.961 ( -0.819 0.467 -0.990) 1.367 29.242 ( -1.592 0.280 1.821) 2.435 29.664 ( 0.802 -0.308 -0.706) 1.112 29.787 ( 0.925 -2.292 0.425) 2.508 30.201 ( -0.831 3.539 0.932) 3.752 30.431 ( -1.656 -0.535 1.180) 2.102 30.601 ( -0.273 0.017 0.651) 0.706 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( -7.843 -7.923 -6.556) 12.933 5.037 ( -40.800 -4.316 -17.165) 44.474 6.298 ( 17.368 11.288 12.725) 24.310 7.184 ( -11.356 -9.067 2.155) 14.691 7.348 ( -20.261 -6.000 -2.781) 21.313 8.018 ( -12.246 -0.362 0.158) 12.253 8.804 ( 2.387 0.671 -2.315) 3.392 10.414 ( 18.544 0.755 -1.096) 18.592 11.007 ( -4.032 13.855 -18.448) 23.421 11.411 ( 3.074 7.452 2.969) 8.590 12.118 ( 9.823 -13.924 20.096) 26.348 13.468 ( 10.300 -11.521 -18.500) 24.106 15.085 ( -6.966 8.142 13.519) 17.250 15.576 ( -9.679 6.410 1.874) 11.759 17.352 ( 2.130 -1.308 13.189) 13.423 17.498 ( 1.068 5.901 9.312) 11.076 18.107 ( -0.766 -1.546 -8.504) 8.677 18.660 ( -11.925 -5.483 -15.488) 20.301 19.001 ( 2.213 1.148 7.254) 7.670 19.900 ( 5.067 -1.285 7.997) 9.554 20.294 ( 4.412 2.951 6.305) 8.242 20.589 ( 3.528 3.365 0.445) 4.896 21.741 ( 11.278 -4.486 -17.333) 21.160 21.889 ( 6.495 4.141 -10.381) 12.927 22.229 ( 4.839 -9.951 1.607) 11.181 22.599 ( -1.915 9.643 -8.120) 12.751 23.167 ( 3.333 -2.265 7.903) 8.871 23.736 ( 4.012 -18.207 15.686) 24.365 24.076 ( -3.354 3.028 2.739) 5.284 24.491 ( -3.099 -0.920 0.845) 3.342 24.584 ( -6.601 13.988 -14.041) 20.890 26.006 ( -7.071 -1.448 1.434) 7.359 26.964 ( -0.020 0.107 0.108) 0.153 27.252 ( -1.339 0.334 2.274) 2.660 28.880 ( 2.412 -0.727 -0.616) 2.594 28.964 ( 0.419 1.761 -0.083) 1.812 29.227 ( -1.250 -0.262 0.201) 1.293 29.655 ( -0.381 -0.693 -0.964) 1.247 29.761 ( -0.777 -2.302 -1.596) 2.908 30.185 ( -3.969 1.039 0.003) 4.103 30.441 ( 0.907 1.048 1.594) 2.112 30.602 ( -0.213 -0.081 0.622) 0.662 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -23.336 -16.843 -14.199) 32.092 4.105 ( -48.843 -4.536 -16.555) 51.772 6.344 ( -60.637 -20.413 3.465) 64.075 6.706 ( 7.516 5.985 7.692) 12.308 7.084 ( -8.055 0.004 -12.647) 14.994 7.762 ( -13.431 -3.412 -4.063) 14.441 8.855 ( 4.458 1.039 -3.666) 5.864 10.795 ( 19.677 3.681 6.795) 21.140 10.959 ( 3.170 3.985 -8.340) 9.772 11.553 ( 1.064 7.609 6.795) 10.257 12.506 ( 25.868 -2.374 16.291) 30.662 13.410 ( 15.290 -6.559 -23.254) 28.593 15.165 ( -6.705 7.281 13.327) 16.601 15.484 ( -9.371 3.560 2.495) 10.331 17.420 ( -5.280 -0.779 14.652) 15.593 17.653 ( 1.702 0.977 3.683) 4.173 18.019 ( 1.706 0.258 -10.858) 10.994 18.200 ( -15.948 -5.740 -22.255) 27.975 19.135 ( 2.698 2.027 7.254) 8.001 20.114 ( 7.212 1.496 18.664) 20.064 20.438 ( 4.690 0.431 5.013) 6.878 20.758 ( 9.424 6.603 5.706) 12.844 21.741 ( 14.999 -5.148 -22.623) 27.627 21.976 ( 4.234 6.351 -3.012) 8.206 22.233 ( 5.465 -9.548 1.575) 11.113 22.599 ( -2.281 8.352 -3.965) 9.523 23.287 ( 6.284 -1.025 5.205) 8.224 23.765 ( 2.962 -16.324 16.430) 23.349 24.070 ( -2.888 1.627 2.628) 4.230 24.402 ( -5.964 -0.609 -1.972) 6.311 24.490 ( -5.297 13.476 -16.492) 21.946 25.827 ( -11.812 -3.665 -0.629) 12.383 26.965 ( -0.082 0.056 0.143) 0.174 27.232 ( -3.228 -0.568 2.219) 3.958 28.922 ( 3.359 -0.371 0.407) 3.404 29.003 ( 1.376 2.569 0.645) 2.985 29.202 ( -0.634 -0.875 -1.118) 1.556 29.623 ( -1.717 -1.356 -0.308) 2.210 29.695 ( -2.406 -1.403 -3.296) 4.315 30.111 ( -5.186 -0.134 -0.041) 5.188 30.490 ( 1.983 1.244 1.107) 2.590 30.603 ( -0.082 -0.145 0.406) 0.438 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -40.722 -17.449 -16.737) 47.359 3.101 ( -54.733 -4.280 -11.422) 56.075 4.954 ( -84.677 -15.417 -3.825) 86.154 6.771 ( -2.547 -2.116 -5.742) 6.628 6.983 ( -0.162 5.329 0.798) 5.391 7.484 ( -12.342 -3.979 -2.555) 13.217 8.901 ( 3.341 0.483 -1.919) 3.883 11.041 ( 8.404 -0.366 -0.679) 8.439 11.132 ( 9.368 2.651 4.942) 10.918 11.736 ( 6.576 4.926 8.049) 11.502 13.108 ( 30.424 2.229 13.290) 33.274 13.479 ( 21.577 -1.669 -20.824) 30.033 15.203 ( -7.436 4.130 8.754) 12.206 15.372 ( -9.914 1.136 2.193) 10.217 17.389 ( -13.544 -2.884 10.655) 17.473 17.626 ( -0.929 -2.584 -3.649) 4.567 17.759 ( -8.619 -0.362 -17.601) 19.602 17.982 ( 0.368 0.305 -4.645) 4.670 19.199 ( -0.875 0.434 1.697) 1.958 20.387 ( 5.140 2.442 11.982) 13.264 20.530 ( 3.295 -0.906 1.706) 3.819 21.172 ( 18.544 8.678 20.424) 28.919 21.752 ( 15.825 -5.270 -22.830) 28.274 22.068 ( 1.959 4.232 -0.417) 4.682 22.266 ( 6.321 -5.722 0.922) 8.575 22.609 ( -2.600 5.364 -0.466) 5.980 23.433 ( 8.546 -0.413 1.905) 8.766 23.810 ( 2.693 -10.904 14.479) 18.325 24.053 ( -1.694 -0.008 0.016) 1.694 24.272 ( -7.488 0.550 -1.110) 7.590 24.369 ( -6.357 9.467 -16.020) 19.664 25.561 ( -14.961 -3.811 -0.748) 15.457 26.964 ( -0.147 0.007 0.087) 0.171 27.180 ( -3.957 -0.651 1.129) 4.166 28.989 ( 4.112 -0.033 1.288) 4.310 29.060 ( 1.716 2.357 0.859) 3.040 29.176 ( 0.221 -1.052 -1.611) 1.937 29.564 ( -3.370 -2.290 -0.125) 4.076 29.614 ( -3.122 0.391 -2.841) 4.240 30.024 ( -4.872 -0.389 0.045) 4.887 30.540 ( 2.078 0.711 0.501) 2.253 30.604 ( 0.043 -0.119 0.155) 0.200 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -51.093 -0.000 0.000) 51.093 2.066 ( -60.900 -0.000 0.000) 60.900 3.339 ( -97.766 -0.000 0.000) 97.766 6.700 ( -0.222 -0.000 0.000) 0.222 7.017 ( -0.332 -0.000 0.000) 0.332 7.255 ( -11.472 -0.000 0.000) 11.472 8.942 ( 2.253 0.000 -0.000) 2.253 11.177 ( 7.535 0.000 -0.000) 7.535 11.234 ( 0.667 0.000 -0.000) 0.667 11.935 ( 8.458 0.000 -0.000) 8.458 13.696 ( 28.953 0.000 -0.000) 28.953 13.751 ( 25.289 0.000 -0.000) 25.289 15.128 ( -8.789 -0.000 0.000) 8.789 15.205 ( -12.359 -0.000 0.000) 12.359 17.108 ( -17.537 -0.000 0.000) 17.537 17.604 ( 0.805 0.000 -0.000) 0.805 17.634 ( -1.196 -0.000 0.000) 1.196 17.950 ( -1.752 -0.000 0.000) 1.752 19.172 ( -2.582 -0.000 0.000) 2.582 20.517 ( 3.571 0.000 -0.000) 3.571 20.566 ( 1.492 0.000 -0.000) 1.492 21.726 ( 19.059 0.000 -0.000) 19.059 21.791 ( 13.307 0.000 -0.000) 13.307 22.111 ( 1.736 0.000 -0.000) 1.736 22.338 ( 4.754 0.000 -0.000) 4.754 22.588 ( -3.646 -0.000 0.000) 3.646 23.585 ( 9.055 0.000 -0.000) 9.055 23.895 ( 5.010 0.000 -0.000) 5.010 24.010 ( -1.508 -0.000 0.000) 1.508 24.176 ( -7.084 -0.000 0.000) 7.084 24.193 ( -8.141 -0.000 0.000) 8.141 25.287 ( -14.910 -0.000 0.000) 14.910 26.962 ( -0.157 -0.000 0.000) 0.157 27.118 ( -3.490 -0.000 0.000) 3.490 29.068 ( 4.170 0.000 -0.000) 4.170 29.102 ( 1.455 0.000 -0.000) 1.455 29.173 ( 1.047 0.000 -0.000) 1.047 29.483 ( -4.028 -0.000 0.000) 4.028 29.555 ( -3.200 -0.000 0.000) 3.200 29.952 ( -3.596 -0.000 0.000) 3.596 30.577 ( 1.698 0.000 -0.000) 1.698 30.605 ( 0.094 0.000 -0.000) 0.094 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -0.000 30.882 39.492) 50.133 2.904 ( -0.000 23.671 36.527) 43.526 4.809 ( -0.000 70.213 32.234) 77.259 6.928 ( -0.000 1.359 0.380) 1.411 7.003 ( 0.000 -0.021 -1.723) 1.723 7.761 ( -0.000 13.551 32.158) 34.896 9.109 ( -0.000 -2.925 15.729) 15.998 10.746 ( 0.000 -10.703 -37.685) 39.176 10.765 ( 0.000 -2.212 -14.731) 14.896 11.541 ( 0.000 11.682 -20.873) 23.920 13.327 ( 0.000 -35.806 8.861) 36.886 13.769 ( 0.000 -29.724 -0.444) 29.727 15.133 ( -0.000 12.649 -0.160) 12.650 15.413 ( -0.000 18.957 2.964) 19.188 17.440 ( -0.000 3.094 22.244) 22.459 17.715 ( -0.000 -5.578 9.510) 11.026 18.162 ( -0.000 3.277 9.498) 10.048 18.210 ( -0.000 8.984 20.812) 22.668 19.183 ( -0.000 1.139 -1.042) 1.543 19.926 ( 0.000 -12.979 -33.293) 35.733 20.376 ( 0.000 -0.442 -9.322) 9.333 21.053 ( 0.000 -7.222 -15.182) 16.812 21.590 ( 0.000 -3.658 -23.992) 24.269 22.026 ( 0.000 -5.523 0.703) 5.568 22.202 ( 0.000 -3.052 -8.294) 8.838 22.659 ( -0.000 11.484 -11.949) 16.573 23.346 ( 0.000 -9.892 -6.295) 11.725 23.489 ( 0.000 -19.430 18.162) 26.596 24.105 ( -0.000 7.299 -0.997) 7.367 24.378 ( -0.000 -3.643 10.772) 11.371 25.129 ( -0.000 11.119 -9.524) 14.640 25.367 ( -0.000 11.998 30.804) 33.058 26.959 ( -0.000 0.209 -0.199) 0.288 27.082 ( -0.000 3.364 -3.146) 4.606 28.916 ( 0.000 -2.062 -5.335) 5.719 29.065 ( 0.000 0.446 -2.784) 2.819 29.302 ( -0.000 -1.243 7.167) 7.274 29.518 ( -0.000 -0.360 3.135) 3.155 29.680 ( -0.000 0.845 2.534) 2.671 30.031 ( -0.000 6.350 3.197) 7.109 30.563 ( 0.000 -1.929 -0.131) 1.934 30.601 ( -0.000 0.450 0.438) 0.628 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 8.454 15.721 24.779) 30.539 3.598 ( 26.443 27.378 33.760) 50.877 5.710 ( 7.490 58.288 19.293) 61.853 6.870 ( -7.072 2.251 -3.792) 8.334 7.071 ( 8.223 0.263 -0.303) 8.233 8.137 ( -1.754 12.255 26.736) 29.463 9.243 ( -3.150 -2.744 27.073) 27.394 10.280 ( 3.068 -15.166 -44.217) 46.847 10.708 ( 5.214 5.346 -11.575) 13.775 11.461 ( -4.448 15.388 -21.074) 26.471 13.011 ( -12.296 -31.444 17.838) 38.185 13.510 ( 5.873 -31.083 -2.950) 31.770 15.226 ( -4.246 10.325 5.144) 12.292 15.604 ( -1.334 17.720 3.855) 18.184 17.557 ( -8.252 -1.240 17.793) 19.653 17.788 ( 0.455 -3.147 11.182) 11.625 18.269 ( -0.132 0.972 8.884) 8.938 18.495 ( 2.622 9.479 19.649) 21.973 19.081 ( -7.672 -2.896 -10.579) 13.385 19.572 ( 7.663 -10.077 -24.940) 27.969 20.292 ( -0.447 0.095 -9.619) 9.630 20.829 ( -5.184 -4.128 -11.979) 13.689 21.425 ( 10.229 -5.996 -27.394) 29.850 21.949 ( -3.131 -3.272 -2.691) 5.268 22.131 ( 2.888 -4.144 -5.511) 7.476 22.646 ( 0.143 9.770 -14.298) 17.318 23.181 ( -1.874 -9.547 -3.352) 10.291 23.524 ( 3.092 -19.119 23.084) 30.133 24.149 ( -1.556 5.741 0.076) 5.948 24.442 ( 1.076 -0.432 6.398) 6.502 25.070 ( -7.703 10.315 -7.106) 14.705 25.768 ( 4.887 9.596 22.798) 25.213 26.960 ( 0.024 0.227 -0.202) 0.305 27.105 ( 1.474 4.123 -2.574) 5.079 28.857 ( 0.378 -1.831 -4.689) 5.048 29.043 ( -0.916 0.459 -1.943) 2.196 29.328 ( -2.750 -0.431 6.638) 7.198 29.558 ( 2.908 -1.065 1.355) 3.380 29.707 ( 1.128 -0.678 1.646) 2.107 30.125 ( 0.114 6.927 3.340) 7.691 30.535 ( -0.923 -2.231 0.343) 2.439 30.611 ( -0.354 0.754 1.179) 1.443 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( 7.861 8.033 12.078) 16.499 4.602 ( 33.141 24.115 26.768) 48.953 6.439 ( 10.994 36.139 8.684) 38.760 6.661 ( -16.557 3.180 -6.468) 18.058 7.257 ( 12.387 2.958 1.012) 12.776 8.348 ( -3.340 5.673 14.081) 15.544 9.334 ( -12.265 -5.484 26.933) 30.098 9.894 ( 10.886 -13.769 -37.822) 41.696 10.838 ( 7.642 17.399 -10.728) 21.823 11.333 ( -5.624 11.069 -16.247) 20.448 12.690 ( -17.230 -22.840 24.880) 37.915 13.314 ( 9.057 -29.746 -5.520) 31.581 15.291 ( -6.931 9.473 10.520) 15.762 15.774 ( -2.711 16.417 6.080) 17.716 17.451 ( -11.257 -7.651 2.322) 13.808 17.769 ( -11.536 1.569 11.575) 16.417 18.258 ( -2.139 -5.085 0.990) 5.605 18.759 ( 3.910 3.598 8.829) 10.304 18.936 ( 0.405 2.764 2.273) 3.601 19.545 ( 11.817 -5.425 -10.079) 16.452 20.208 ( -1.119 1.372 -7.451) 7.658 20.636 ( -3.268 -2.194 -9.111) 9.925 21.315 ( 13.918 -7.377 -31.176) 34.930 21.847 ( -2.561 -0.769 -4.075) 4.874 22.111 ( 3.642 -5.433 -2.231) 6.911 22.617 ( 0.678 7.399 -12.882) 14.871 23.070 ( 1.037 -7.188 -2.342) 7.631 23.595 ( 2.020 -18.149 24.978) 30.941 24.168 ( -2.313 4.264 0.912) 4.936 24.505 ( 0.713 1.983 2.815) 3.516 24.970 ( -8.144 9.479 -7.923) 14.797 26.057 ( 0.872 6.429 15.736) 17.022 26.961 ( 0.038 0.221 -0.144) 0.267 27.163 ( 2.536 3.921 -0.752) 4.730 28.817 ( 1.247 -1.643 -3.840) 4.359 29.014 ( -1.826 0.704 -0.570) 2.038 29.321 ( -3.247 -0.016 3.824) 5.016 29.604 ( 2.910 -0.878 0.094) 3.041 29.732 ( 1.862 -2.114 1.473) 3.179 30.212 ( -0.249 6.485 2.145) 6.835 30.499 ( -1.635 -2.227 1.143) 2.990 30.621 ( -0.880 0.783 1.567) 1.960 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 2.309 1.867 2.104) 3.639 5.527 ( 28.322 21.528 19.923) 40.774 6.219 ( -27.296 -2.565 -9.660) 29.069 6.909 ( 11.603 12.777 -0.500) 17.266 7.526 ( 9.192 8.024 4.129) 12.881 8.409 ( -5.089 1.848 9.658) 11.072 9.136 ( -20.718 -9.253 9.041) 24.426 9.777 ( 18.472 -7.694 -22.178) 29.871 11.044 ( 6.272 24.039 -15.857) 29.473 11.289 ( -1.139 8.277 -0.464) 8.368 12.387 ( -20.892 -20.773 22.251) 36.920 13.145 ( 10.337 -24.626 -11.309) 29.003 15.362 ( -8.248 9.714 14.229) 19.101 15.890 ( -7.991 12.875 5.009) 15.960 17.224 ( -1.729 -4.826 -0.599) 5.162 17.726 ( -11.155 3.313 16.636) 20.302 18.181 ( -2.575 -3.974 -1.444) 4.951 18.841 ( 1.389 -1.913 1.821) 2.984 19.004 ( -2.327 1.770 0.694) 3.005 19.640 ( 11.406 -3.691 -1.975) 12.150 20.196 ( 1.544 3.836 -0.135) 4.137 20.538 ( 0.230 -0.103 -5.359) 5.365 21.216 ( 16.488 -7.825 -33.414) 38.074 21.801 ( 0.081 1.595 -2.357) 2.847 22.103 ( 3.661 -6.287 -0.844) 7.324 22.599 ( 1.214 5.843 -9.517) 11.233 23.036 ( 4.229 -4.952 -2.707) 7.052 23.665 ( 0.796 -16.645 24.786) 29.866 24.170 ( -2.637 3.113 1.039) 4.209 24.545 ( -0.621 2.834 0.745) 2.995 24.851 ( -7.995 9.020 -9.532) 15.367 26.181 ( -3.911 3.368 9.014) 10.387 26.963 ( 0.049 0.196 -0.038) 0.206 27.238 ( 2.074 2.764 1.312) 3.697 28.801 ( 2.128 -1.425 -3.047) 3.980 28.995 ( -1.862 1.461 1.145) 2.629 29.288 ( -2.628 -0.507 0.391) 2.705 29.635 ( 1.691 -0.211 -0.321) 1.734 29.747 ( 1.436 -2.874 0.936) 3.346 30.268 ( -1.251 4.961 0.473) 5.138 30.465 ( -1.721 -1.518 2.004) 3.047 30.623 ( -1.146 0.507 1.453) 1.919 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -6.406 -3.715 -4.267) 8.546 5.570 ( -38.614 -1.508 -10.064) 39.932 6.243 ( 19.390 16.921 13.283) 28.961 7.078 ( 7.005 -3.417 -4.713) 9.109 7.630 ( -9.859 -0.930 3.856) 10.627 8.334 ( -18.231 0.377 8.580) 20.152 8.800 ( -7.612 -4.559 -3.519) 9.545 9.981 ( 26.825 -0.426 -9.115) 28.334 11.156 ( -8.034 17.533 -8.780) 21.190 11.445 ( 5.857 16.975 -2.334) 18.108 12.056 ( -6.918 -25.553 19.332) 32.780 12.996 ( 10.709 -17.269 -17.383) 26.740 15.439 ( -8.665 9.405 14.707) 19.489 15.819 ( -11.956 6.036 -0.371) 13.398 17.372 ( 9.801 2.578 13.483) 16.867 17.734 ( -9.198 3.429 16.707) 19.378 18.049 ( -4.251 -2.968 -8.590) 10.033 18.687 ( -12.044 -4.431 -13.273) 18.463 19.023 ( 3.498 0.369 6.054) 7.001 19.816 ( 11.508 -1.973 6.751) 13.487 20.304 ( 3.253 3.314 4.443) 6.427 20.554 ( 4.122 2.783 -1.932) 5.336 21.152 ( 18.766 -7.617 -32.348) 38.165 21.842 ( 3.037 3.780 -0.238) 4.855 22.096 ( 3.643 -6.840 -0.239) 7.753 22.608 ( 1.397 5.136 -5.910) 7.953 23.065 ( 6.810 -3.475 -2.698) 8.107 23.724 ( 0.041 -14.037 21.815) 25.940 24.157 ( -2.752 2.147 0.464) 3.522 24.544 ( -2.679 1.580 0.241) 3.120 24.723 ( -7.654 9.265 -10.582) 16.012 26.153 ( -8.227 0.770 3.936) 9.153 26.965 ( 0.035 0.144 0.053) 0.158 27.291 ( 0.028 1.225 2.045) 2.384 28.810 ( 3.048 -0.951 -2.096) 3.820 29.004 ( -1.173 2.316 2.659) 3.716 29.235 ( -1.610 -1.425 -2.281) 3.135 29.650 ( 0.237 0.182 0.063) 0.305 29.736 ( -0.019 -2.592 -0.291) 2.609 30.263 ( -3.515 2.181 -0.284) 4.146 30.458 ( -0.291 0.167 1.891) 1.921 30.618 ( -1.010 0.121 0.955) 1.396 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -19.250 -6.392 -6.110) 21.184 4.786 ( -46.979 -0.513 -6.568) 47.438 6.694 ( 7.468 12.139 6.694) 15.746 6.999 ( -7.086 -11.847 -0.313) 13.808 7.204 ( -35.056 -3.323 -1.748) 35.256 8.009 ( -21.980 -0.314 -0.177) 21.983 8.764 ( 4.254 -0.091 -2.046) 4.721 10.437 ( 29.824 2.839 -0.347) 29.961 10.989 ( -11.144 4.467 -5.785) 13.327 11.623 ( 2.518 8.304 -0.987) 8.733 12.216 ( 21.916 -7.448 19.294) 30.134 12.899 ( 12.981 -9.173 -19.511) 25.166 15.489 ( -9.395 7.275 11.882) 16.804 15.664 ( -9.248 1.268 -2.260) 9.604 17.625 ( 0.095 0.722 15.926) 15.942 17.767 ( -7.500 2.071 13.258) 15.372 17.890 ( 1.829 -0.336 -12.665) 12.801 18.247 ( -17.681 -4.465 -18.874) 26.244 19.157 ( 3.645 1.260 5.152) 6.436 20.120 ( 13.499 0.676 16.784) 21.549 20.391 ( 2.872 0.316 -0.046) 2.890 20.704 ( 9.440 5.487 3.629) 11.506 21.146 ( 19.652 -6.993 -26.755) 33.926 21.956 ( 4.705 5.848 0.456) 7.520 22.090 ( 3.919 -7.309 0.198) 8.296 22.635 ( 0.927 3.695 -2.589) 4.606 23.146 ( 8.610 -1.976 -1.696) 8.995 23.769 ( 0.075 -9.100 14.526) 17.141 24.127 ( -2.791 1.246 -0.679) 3.131 24.487 ( -5.069 -0.636 0.544) 5.138 24.602 ( -7.359 8.060 -8.576) 13.880 26.006 ( -11.914 -0.774 0.974) 11.978 26.967 ( -0.025 0.068 0.067) 0.099 27.293 ( -2.292 0.160 1.335) 2.657 28.849 ( 3.990 -0.372 -0.927) 4.113 29.041 ( -0.437 2.612 3.295) 4.228 29.176 ( -0.424 -2.019 -3.344) 3.929 29.648 ( -1.275 0.178 1.117) 1.705 29.693 ( -1.678 -1.537 -1.800) 2.902 30.200 ( -5.240 0.462 -0.082) 5.261 30.482 ( 1.090 0.631 0.856) 1.523 30.610 ( -0.600 -0.081 0.380) 0.715 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -34.048 -0.000 0.000) 34.048 3.933 ( -53.038 -0.000 0.000) 53.038 6.166 ( -69.490 -0.000 0.000) 69.490 6.822 ( -5.976 -0.000 0.000) 5.976 6.991 ( 2.363 0.000 -0.000) 2.363 7.684 ( -16.290 -0.000 0.000) 16.290 8.831 ( 4.452 0.000 -0.000) 4.452 10.903 ( 22.807 0.000 -0.000) 22.807 10.920 ( 3.398 0.000 -0.000) 3.398 11.708 ( 3.707 0.000 -0.000) 3.707 12.728 ( 28.679 0.000 -0.000) 28.679 12.993 ( 18.311 0.000 -0.000) 18.311 15.419 ( -10.393 -0.000 0.000) 10.393 15.525 ( -7.294 -0.000 0.000) 7.294 17.642 ( -3.752 -0.000 0.000) 3.752 17.734 ( -5.374 -0.000 0.000) 5.374 17.772 ( -21.268 -0.000 0.000) 21.268 17.931 ( 4.082 0.000 -0.000) 4.082 19.216 ( 0.586 0.000 -0.000) 0.586 20.407 ( 2.376 0.000 -0.000) 2.376 20.427 ( 8.886 0.000 -0.000) 8.886 21.045 ( 19.440 0.000 -0.000) 19.440 21.253 ( 18.293 0.000 -0.000) 18.293 22.064 ( 1.668 0.000 -0.000) 1.668 22.125 ( 7.333 0.000 -0.000) 7.333 22.651 ( -0.269 -0.000 0.000) 0.269 23.278 ( 9.415 0.000 -0.000) 9.415 23.798 ( 1.114 0.000 -0.000) 1.114 24.082 ( -2.748 -0.000 0.000) 2.748 24.393 ( -6.070 -0.000 0.000) 6.070 24.477 ( -8.346 -0.000 0.000) 8.346 25.785 ( -14.417 -0.000 0.000) 14.417 26.967 ( -0.107 -0.000 0.000) 0.107 27.247 ( -3.764 -0.000 0.000) 3.764 28.915 ( 4.654 0.000 -0.000) 4.654 29.073 ( 0.098 0.000 -0.000) 0.098 29.146 ( 0.609 0.000 -0.000) 0.609 29.619 ( -3.707 -0.000 0.000) 3.707 29.641 ( -1.787 -0.000 0.000) 1.787 30.110 ( -5.641 -0.000 0.000) 5.641 30.514 ( 1.820 0.000 -0.000) 1.820 30.605 ( -0.187 -0.000 0.000) 0.187 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -0.000 11.254 20.232) 23.151 3.922 ( -0.000 28.166 32.025) 42.649 6.318 ( -0.000 46.857 14.025) 48.910 6.931 ( 0.000 -3.910 -3.127) 5.007 7.000 ( -0.000 12.221 -2.622) 12.499 8.401 ( -0.000 5.138 11.504) 12.599 9.552 ( -0.000 -3.456 41.260) 41.405 9.671 ( 0.000 -18.954 -49.851) 53.332 10.713 ( -0.000 20.094 -4.535) 20.599 11.474 ( -0.000 16.874 -22.042) 27.760 13.034 ( 0.000 -26.260 25.706) 36.748 13.083 ( 0.000 -35.456 -5.833) 35.933 15.411 ( -0.000 8.777 8.693) 12.353 15.811 ( -0.000 16.580 4.816) 17.266 17.778 ( -0.000 -4.702 9.614) 10.703 17.869 ( -0.000 -0.707 22.344) 22.355 18.373 ( -0.000 1.774 8.518) 8.701 18.698 ( -0.000 5.165 10.366) 11.581 19.074 ( 0.000 -9.908 -25.491) 27.349 19.103 ( 0.000 -2.579 -8.257) 8.650 20.228 ( 0.000 1.484 -8.463) 8.592 20.713 ( 0.000 -4.282 -15.610) 16.187 21.053 ( 0.000 -6.162 -25.816) 26.541 21.936 ( 0.000 -3.834 -0.974) 3.956 22.009 ( 0.000 -2.339 -7.476) 7.834 22.603 ( 0.000 6.512 -12.844) 14.401 23.049 ( 0.000 -9.225 -6.887) 11.512 23.564 ( -0.000 -16.788 28.618) 33.178 24.211 ( -0.000 4.831 -0.127) 4.833 24.488 ( -0.000 2.355 4.022) 4.661 25.119 ( 0.000 6.710 -11.646) 13.441 26.032 ( -0.000 9.311 23.089) 24.895 26.960 ( -0.000 0.239 -0.194) 0.308 27.113 ( -0.000 4.548 -2.179) 5.043 28.796 ( 0.000 -1.789 -4.484) 4.828 29.048 ( -0.000 1.136 -0.587) 1.279 29.416 ( -0.000 0.126 7.249) 7.250 29.513 ( 0.000 -2.162 -1.230) 2.487 29.698 ( 0.000 -1.300 0.835) 1.545 30.218 ( -0.000 7.094 2.483) 7.516 30.524 ( 0.000 -2.808 1.084) 3.010 30.640 ( -0.000 1.290 2.121) 2.483 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 1.790 7.159 11.914) 14.014 4.609 ( 19.960 25.081 27.284) 42.094 6.665 ( -3.365 11.684 2.520) 12.417 6.867 ( -1.815 -0.142 -3.618) 4.050 7.218 ( 3.963 29.189 2.263) 29.544 8.464 ( -0.583 -0.743 2.885) 3.036 9.171 ( 10.201 -16.416 -43.748) 47.827 9.776 ( -8.294 -9.103 37.955) 39.903 10.939 ( -1.140 31.965 -8.500) 33.095 11.410 ( -3.873 12.523 -12.867) 18.368 12.770 ( 6.545 -30.646 -2.504) 31.437 12.977 ( -7.747 -21.846 24.990) 34.084 15.548 ( -2.841 7.678 11.484) 14.103 16.012 ( -0.402 15.656 8.520) 17.829 17.600 ( -17.455 -8.649 -3.728) 19.834 18.045 ( 1.523 -2.024 14.107) 14.333 18.273 ( -10.557 -2.631 0.003) 10.880 18.737 ( 5.795 -1.113 0.731) 5.946 19.010 ( 1.934 1.968 1.113) 2.975 19.171 ( 13.147 -1.407 -3.842) 13.769 20.180 ( -0.145 2.389 -5.872) 6.341 20.533 ( 0.289 -3.577 -15.431) 15.842 20.839 ( 5.592 -6.252 -24.362) 25.766 21.855 ( -2.846 -1.179 -2.850) 4.196 21.979 ( 3.709 -3.690 -3.711) 6.414 22.562 ( 0.660 4.168 -9.628) 10.512 22.928 ( 1.946 -7.550 -6.067) 9.879 23.654 ( 0.098 -14.023 25.974) 29.517 24.239 ( -1.303 3.574 0.199) 3.809 24.548 ( 0.162 4.313 2.045) 4.776 25.044 ( -3.250 4.701 -11.276) 12.642 26.271 ( -1.556 6.766 16.558) 17.955 26.961 ( 0.040 0.214 -0.145) 0.261 27.157 ( 1.966 4.090 -0.873) 4.621 28.752 ( 0.814 -1.566 -3.666) 4.069 29.053 ( -1.213 1.673 1.043) 2.315 29.402 ( -4.218 -1.067 1.014) 4.467 29.542 ( 3.895 -0.705 1.316) 4.171 29.698 ( 1.053 -2.135 0.886) 2.540 30.293 ( -0.386 6.398 0.555) 6.433 30.505 ( -0.586 -2.929 2.194) 3.706 30.664 ( -0.938 1.300 2.294) 2.799 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -0.663 3.238 3.877) 5.095 5.420 ( 26.358 19.874 20.293) 38.750 6.508 ( -16.464 -2.454 -6.160) 17.749 6.847 ( 3.743 -0.629 -3.480) 5.149 7.590 ( 3.931 23.555 3.858) 24.191 8.473 ( 1.849 -2.141 3.123) 4.213 8.983 ( 18.000 -8.725 -30.887) 36.799 9.705 ( -20.035 -10.999 23.269) 32.616 11.065 ( 2.703 22.959 -15.035) 27.577 11.471 ( -3.229 16.102 4.052) 16.915 12.629 ( 10.383 -23.210 -6.890) 26.343 12.748 ( -20.936 -18.729 18.222) 33.484 15.653 ( -4.378 6.690 10.804) 13.441 16.208 ( -7.004 13.904 10.887) 18.998 17.189 ( -5.788 -7.803 -8.410) 12.850 18.090 ( -8.893 1.218 13.088) 15.870 18.187 ( -3.562 -1.754 5.069) 6.439 18.806 ( 2.973 -2.303 2.052) 4.284 19.009 ( 1.697 -2.678 -9.086) 9.623 19.380 ( 11.975 0.260 1.748) 12.105 20.200 ( 2.776 3.600 0.385) 4.562 20.428 ( 4.426 -1.703 -11.785) 12.703 20.692 ( 7.491 -6.062 -22.203) 24.204 21.806 ( -0.748 1.496 -1.516) 2.257 21.975 ( 3.680 -4.779 -2.220) 6.427 22.548 ( 1.685 2.904 -6.092) 6.956 22.874 ( 4.463 -5.245 -4.773) 8.380 23.732 ( -0.297 -10.977 20.595) 23.339 24.241 ( -2.131 2.460 0.263) 3.266 24.600 ( -0.871 4.477 1.261) 4.733 24.927 ( -4.440 3.435 -10.017) 11.483 26.374 ( -5.266 3.871 9.084) 11.191 26.963 ( 0.083 0.165 -0.064) 0.195 27.233 ( 2.957 2.759 0.805) 4.124 28.732 ( 1.667 -1.191 -2.617) 3.324 29.061 ( -1.928 2.288 2.806) 4.102 29.316 ( -3.288 -2.076 -2.694) 4.730 29.607 ( 2.337 0.843 1.143) 2.735 29.704 ( 1.514 -2.810 0.983) 3.340 30.332 ( -1.037 4.588 -0.951) 4.799 30.489 ( -0.990 -2.142 2.704) 3.589 30.670 ( -1.796 0.893 1.748) 2.661 ======================= Grid point 37 (26/116) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -5.659 -0.162 -0.897) 5.732 6.005 ( -15.732 -0.660 2.970) 16.024 6.188 ( 11.369 12.461 2.917) 17.119 6.883 ( 6.571 -4.563 -3.814) 8.863 7.779 ( -3.150 7.654 1.977) 8.510 8.549 ( 1.835 0.190 7.929) 8.140 8.881 ( -7.061 -5.574 -14.041) 16.675 9.552 ( 8.193 -3.514 2.288) 9.204 11.293 ( 8.440 14.013 -0.427) 16.364 11.582 ( -4.322 15.800 0.732) 16.397 12.249 ( -28.505 -17.707 7.197) 34.320 12.545 ( 10.408 -15.060 -9.163) 20.472 15.709 ( -4.437 4.575 6.899) 9.393 16.111 ( -17.962 4.394 1.119) 18.526 17.291 ( 15.155 1.959 8.276) 17.379 18.019 ( -8.100 -1.007 0.586) 8.183 18.121 ( -10.528 1.369 8.832) 13.810 18.755 ( -11.204 -2.514 -7.133) 13.518 18.959 ( 8.209 -1.837 -0.020) 8.412 19.601 ( 15.316 -1.084 1.389) 15.418 20.322 ( 3.506 2.790 4.565) 6.396 20.452 ( 7.702 1.755 -5.856) 9.833 20.605 ( 10.372 -6.057 -17.572) 21.284 21.834 ( 2.002 3.139 0.182) 3.728 21.973 ( 3.570 -4.732 -1.345) 6.078 22.569 ( 2.544 2.046 -2.846) 4.331 22.894 ( 6.537 -2.827 -2.724) 7.625 23.781 ( -0.545 -6.659 12.247) 13.951 24.221 ( -2.696 1.367 -0.007) 3.023 24.615 ( -2.825 2.443 0.999) 3.866 24.806 ( -4.805 2.642 -6.796) 8.733 26.336 ( -8.406 1.385 3.352) 9.154 26.966 ( 0.098 0.091 0.001) 0.134 27.301 ( 1.809 1.116 1.074) 2.382 28.741 ( 2.542 -0.610 -1.351) 2.943 29.084 ( -1.929 2.813 4.191) 5.403 29.217 ( -2.214 -2.650 -4.406) 5.598 29.651 ( 0.922 1.316 0.485) 1.678 29.706 ( 0.918 -2.402 0.383) 2.599 30.328 ( -2.353 1.847 -0.709) 3.074 30.479 ( -0.732 -0.566 1.550) 1.806 30.654 ( -2.038 0.326 0.825) 2.223 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -12.040 -0.000 0.000) 12.040 5.464 ( -38.718 -0.000 0.000) 38.718 6.622 ( 17.656 0.000 -0.000) 17.656 6.904 ( 2.383 0.000 -0.000) 2.383 7.649 ( -17.923 -0.000 0.000) 17.923 8.434 ( -27.255 -0.000 0.000) 27.255 8.679 ( 4.549 0.000 -0.000) 4.549 9.924 ( 31.557 0.000 -0.000) 31.557 11.302 ( -20.627 -0.000 0.000) 20.627 11.632 ( -0.249 -0.000 0.000) 0.249 11.969 ( 9.770 0.000 -0.000) 9.770 12.580 ( 9.467 0.000 -0.000) 9.467 15.701 ( -3.963 -0.000 0.000) 3.963 15.846 ( -15.980 -0.000 0.000) 15.980 17.613 ( 14.363 0.000 -0.000) 14.363 17.851 ( -8.584 -0.000 0.000) 8.584 18.013 ( -10.230 -0.000 0.000) 10.230 18.431 ( -18.289 -0.000 0.000) 18.289 19.104 ( 6.839 0.000 -0.000) 6.839 19.907 ( 20.088 0.000 -0.000) 20.088 20.377 ( 0.029 0.000 -0.000) 0.029 20.601 ( 9.278 0.000 -0.000) 9.278 20.681 ( 15.442 0.000 -0.000) 15.442 21.916 ( 4.795 0.000 -0.000) 4.795 21.991 ( 2.898 0.000 -0.000) 2.898 22.611 ( 2.427 0.000 -0.000) 2.427 22.989 ( 8.043 0.000 -0.000) 8.043 23.794 ( -0.456 -0.000 0.000) 0.456 24.180 ( -3.052 -0.000 0.000) 3.052 24.567 ( -4.507 -0.000 0.000) 4.507 24.708 ( -5.613 -0.000 0.000) 5.613 26.197 ( -10.696 -0.000 0.000) 10.696 26.968 ( 0.055 0.000 -0.000) 0.055 27.323 ( -0.399 -0.000 0.000) 0.399 28.781 ( 3.408 0.000 -0.000) 3.408 29.105 ( -2.136 -0.000 0.000) 2.136 29.141 ( -0.365 -0.000 0.000) 0.365 29.669 ( 0.046 0.000 -0.000) 0.046 29.696 ( -0.720 -0.000 0.000) 0.720 30.280 ( -4.099 -0.000 0.000) 4.099 30.479 ( 0.133 0.000 -0.000) 0.133 30.629 ( -1.474 -0.000 0.000) 1.474 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -0.000 4.850 9.094) 10.307 4.908 ( -0.000 24.626 25.121) 35.178 6.717 ( 0.000 -10.337 -7.547) 12.799 6.811 ( -0.000 4.093 0.545) 4.129 7.558 ( -0.000 32.965 2.563) 33.065 8.457 ( 0.000 -1.980 -0.707) 2.102 8.567 ( 0.000 -15.057 -36.056) 39.074 10.085 ( -0.000 -8.976 38.672) 39.700 11.199 ( -0.000 33.532 -22.398) 40.325 11.416 ( -0.000 9.700 -13.977) 17.014 12.421 ( 0.000 -31.825 14.196) 34.848 13.112 ( -0.000 -10.961 21.007) 23.695 15.730 ( -0.000 5.738 11.354) 12.721 16.235 ( -0.000 14.384 12.039) 18.758 17.702 ( 0.000 -16.313 -24.672) 29.577 17.853 ( -0.000 -2.699 6.732) 7.252 18.494 ( -0.000 -0.058 4.018) 4.018 18.657 ( -0.000 2.384 13.331) 13.543 18.806 ( 0.000 -5.401 -15.249) 16.177 19.258 ( -0.000 6.671 14.029) 15.534 20.159 ( 0.000 2.312 -4.199) 4.794 20.332 ( 0.000 -4.328 -18.725) 19.219 20.594 ( 0.000 -4.136 -14.695) 15.266 21.856 ( 0.000 -2.382 -1.106) 2.626 21.880 ( 0.000 -1.092 -3.888) 4.038 22.519 ( 0.000 2.268 -6.306) 6.701 22.797 ( 0.000 -5.951 -4.962) 7.748 23.737 ( -0.000 -9.922 19.854) 22.195 24.279 ( -0.000 2.404 0.090) 2.406 24.612 ( -0.000 5.411 2.115) 5.809 25.000 ( 0.000 1.479 -10.802) 10.902 26.471 ( -0.000 4.993 12.279) 13.255 26.962 ( -0.000 0.159 -0.111) 0.194 27.166 ( -0.000 3.281 -0.792) 3.375 28.704 ( 0.000 -1.201 -2.694) 2.950 29.099 ( -0.000 2.411 2.622) 3.562 29.403 ( 0.000 -3.516 -4.689) 5.861 29.536 ( -0.000 1.769 4.442) 4.782 29.674 ( 0.000 -2.430 0.602) 2.504 30.347 ( -0.000 5.050 -1.315) 5.219 30.506 ( 0.000 -2.625 3.138) 4.092 30.704 ( -0.000 1.161 2.055) 2.360 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -1.899 2.366 3.722) 4.802 5.428 ( 14.267 17.584 17.462) 28.595 6.534 ( -1.343 -10.127 -8.764) 13.460 6.796 ( -3.448 0.214 -1.098) 3.625 7.808 ( -0.497 17.240 1.299) 17.296 8.337 ( 12.573 -6.880 -14.017) 20.048 8.474 ( 5.338 -0.939 -5.002) 7.375 10.166 ( -19.741 -6.798 25.541) 32.989 11.092 ( -1.599 12.869 -19.555) 23.464 11.556 ( 11.429 11.323 -10.976) 19.476 12.344 ( -0.918 -16.692 14.541) 22.156 13.062 ( -14.134 -5.878 9.893) 18.226 15.831 ( -2.926 3.384 6.866) 8.195 16.522 ( 1.678 14.672 17.555) 22.940 17.129 ( -14.651 -13.356 -20.337) 28.401 18.045 ( 11.985 -2.474 2.093) 12.415 18.439 ( -8.071 0.888 7.511) 11.061 18.661 ( 3.258 -4.447 -12.420) 13.588 18.858 ( 5.067 0.809 5.404) 7.452 19.393 ( -1.704 3.232 7.325) 8.186 20.158 ( 3.075 -0.899 -4.857) 5.819 20.216 ( 5.520 0.334 -8.603) 10.228 20.478 ( 0.844 -2.679 -7.981) 8.461 21.822 ( -0.639 0.943 -0.597) 1.286 21.870 ( 2.262 -2.724 -1.852) 3.995 22.504 ( 1.124 1.139 -3.034) 3.430 22.741 ( 2.522 -3.177 -2.783) 4.919 23.794 ( -0.192 -5.453 10.969) 12.251 24.288 ( -1.149 1.232 0.077) 1.686 24.674 ( -0.865 4.248 2.523) 5.016 24.910 ( -1.570 -0.226 -7.789) 7.949 26.549 ( -4.088 2.411 5.693) 7.412 26.963 ( 0.067 0.086 -0.050) 0.120 27.210 ( 2.624 1.719 0.024) 3.137 28.685 ( 0.859 -0.660 -1.419) 1.785 29.141 ( -1.164 2.800 3.813) 4.872 29.306 ( -2.438 -3.202 -4.658) 6.156 29.601 ( 1.648 2.221 1.888) 3.348 29.662 ( 1.081 -2.790 0.354) 3.013 30.368 ( -0.432 2.578 -1.350) 2.942 30.506 ( -0.576 -1.329 2.217) 2.648 30.716 ( -1.242 0.624 1.134) 1.793 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( -4.449 -0.000 0.000) 4.449 5.900 ( 21.754 0.000 -0.000) 21.754 6.336 ( -12.845 -0.000 0.000) 12.845 6.763 ( 2.152 0.000 -0.000) 2.152 7.880 ( -1.738 -0.000 0.000) 1.738 8.521 ( 4.621 0.000 -0.000) 4.621 8.566 ( 22.234 0.000 -0.000) 22.234 9.792 ( -27.318 -0.000 0.000) 27.318 11.188 ( 10.145 0.000 -0.000) 10.145 11.707 ( 2.690 0.000 -0.000) 2.690 12.308 ( 2.871 0.000 -0.000) 2.871 12.704 ( -29.058 -0.000 0.000) 29.058 15.818 ( -3.633 -0.000 0.000) 3.633 16.485 ( -23.134 -0.000 0.000) 23.134 17.042 ( 18.369 0.000 -0.000) 18.369 18.112 ( -3.673 -0.000 0.000) 3.673 18.355 ( -9.306 -0.000 0.000) 9.306 18.723 ( 14.525 0.000 -0.000) 14.525 18.872 ( -5.771 -0.000 0.000) 5.771 19.431 ( 4.340 0.000 -0.000) 4.340 20.225 ( 8.844 0.000 -0.000) 8.844 20.321 ( 8.059 0.000 -0.000) 8.059 20.431 ( 0.296 0.000 -0.000) 0.296 21.833 ( 0.485 0.000 -0.000) 0.485 21.884 ( 3.217 0.000 -0.000) 3.217 22.525 ( 2.256 0.000 -0.000) 2.256 22.774 ( 4.788 0.000 -0.000) 4.788 23.810 ( -0.402 -0.000 0.000) 0.402 24.267 ( -2.074 -0.000 0.000) 2.074 24.682 ( -2.453 -0.000 0.000) 2.453 24.839 ( -2.451 -0.000 0.000) 2.451 26.489 ( -7.132 -0.000 0.000) 7.132 26.964 ( 0.112 0.000 -0.000) 0.112 27.269 ( 3.170 0.000 -0.000) 3.170 28.697 ( 1.724 0.000 -0.000) 1.724 29.169 ( -1.148 -0.000 0.000) 1.148 29.204 ( -3.489 -0.000 0.000) 3.489 29.648 ( 0.988 0.000 -0.000) 0.988 29.669 ( 1.925 0.000 -0.000) 1.925 30.361 ( -1.138 -0.000 0.000) 1.138 30.497 ( -0.888 -0.000 0.000) 0.888 30.695 ( -2.126 -0.000 0.000) 2.126 ======================= Grid point 57 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( -0.000 0.000 0.000) 0.000 5.497 ( 0.000 -0.000 -0.000) 0.000 6.416 ( -0.000 0.000 0.000) 0.000 6.841 ( -0.000 0.000 0.000) 0.000 7.898 ( -0.000 0.000 0.000) 0.000 8.095 ( -0.000 0.000 0.000) 0.000 8.436 ( -0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 -0.000) 0.000 11.017 ( -0.000 0.000 0.000) 0.000 11.387 ( -0.000 0.000 0.000) 0.000 12.392 ( -0.000 0.000 0.000) 0.000 13.205 ( -0.000 0.000 -0.000) 0.000 15.910 ( -0.000 0.000 0.000) 0.000 16.662 ( -0.000 0.000 0.000) 0.000 17.099 ( -0.000 0.000 0.000) 0.000 17.883 ( -0.000 0.000 0.000) 0.000 18.527 ( -0.000 0.000 0.000) 0.000 18.575 ( 0.000 0.000 -0.000) 0.000 18.865 ( -0.000 0.000 0.000) 0.000 19.481 ( -0.000 0.000 0.000) 0.000 20.063 ( -0.000 0.000 -0.000) 0.000 20.151 ( -0.000 0.000 0.000) 0.000 20.431 ( -0.000 0.000 0.000) 0.000 21.822 ( -0.000 0.000 0.000) 0.000 21.837 ( -0.000 0.000 0.000) 0.000 22.486 ( -0.000 0.000 0.000) 0.000 22.693 ( -0.000 0.000 0.000) 0.000 23.817 ( -0.000 0.000 0.000) 0.000 24.303 ( -0.000 0.000 0.000) 0.000 24.723 ( -0.000 0.000 0.000) 0.000 24.877 ( -0.000 0.000 0.000) 0.000 26.623 ( -0.000 0.000 0.000) 0.000 26.962 ( -0.000 0.000 0.000) 0.000 27.193 ( -0.000 0.000 0.000) 0.000 28.669 ( -0.000 0.000 0.000) 0.000 29.193 ( -0.000 0.000 -0.000) 0.000 29.278 ( -0.000 0.000 0.000) 0.000 29.621 ( -0.000 0.000 0.000) 0.000 29.627 ( 0.000 -0.000 -0.000) 0.000 30.377 ( -0.000 0.000 0.000) 0.000 30.515 ( -0.000 0.000 0.000) 0.000 30.735 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 114 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.000 0.000 65.133) 65.133 1.709 ( -0.000 -0.000 65.133) 65.133 2.405 ( -0.000 0.000 82.157) 82.157 6.970 ( 0.000 0.000 -2.866) 2.866 6.970 ( -0.000 -0.000 -2.866) 2.866 7.333 ( -0.000 0.000 24.418) 24.418 9.078 ( -0.000 0.000 9.310) 9.310 11.012 ( 0.000 0.000 -17.404) 17.404 11.012 ( 0.000 -0.000 -17.404) 17.404 11.660 ( 0.000 -0.000 -30.981) 30.981 14.478 ( 0.000 0.000 3.402) 3.402 14.478 ( -0.000 -0.000 3.402) 3.402 14.676 ( 0.000 0.000 -2.797) 2.797 14.676 ( -0.000 -0.000 -2.797) 2.797 17.144 ( -0.000 0.000 25.820) 25.820 17.826 ( -0.000 0.000 14.303) 14.303 17.826 ( -0.000 -0.000 14.303) 14.303 18.006 ( -0.000 0.000 4.109) 4.109 19.136 ( -0.000 0.000 1.539) 1.539 20.426 ( 0.000 0.000 -13.289) 13.289 20.426 ( 0.000 -0.000 -13.289) 13.289 21.629 ( 0.000 0.000 -24.508) 24.508 21.629 ( -0.000 -0.000 -24.508) 24.508 22.210 ( 0.000 -0.000 -4.130) 4.130 22.381 ( 0.000 0.000 -5.518) 5.518 22.381 ( 0.000 -0.000 -5.518) 5.518 23.686 ( 0.000 -0.000 -9.134) 9.134 23.813 ( 0.000 0.000 3.163) 3.163 23.813 ( -0.000 -0.000 3.163) 3.163 24.657 ( 0.000 0.000 28.924) 28.924 24.657 ( -0.000 -0.000 28.924) 28.924 24.851 ( 0.000 -0.000 -11.820) 11.820 26.957 ( 0.000 -0.000 -0.174) 0.174 27.075 ( 0.000 -0.000 -4.860) 4.860 29.045 ( 0.000 0.000 -5.125) 5.125 29.045 ( 0.000 -0.000 -5.125) 5.125 29.293 ( -0.000 0.000 5.524) 5.524 29.526 ( 0.000 0.000 7.116) 7.116 29.526 ( 0.000 -0.000 7.116) 7.116 29.893 ( -0.000 0.000 0.530) 0.530 30.600 ( 0.000 0.000 -0.322) 0.322 30.600 ( 0.000 -0.000 -0.322) 0.322 ======================= Grid point 115 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 21.619 12.482 49.361) 55.315 2.591 ( 23.429 13.527 56.266) 62.432 3.459 ( 34.883 20.140 55.454) 68.540 6.905 ( -1.995 -1.152 -4.645) 5.184 7.003 ( 3.886 2.244 -0.572) 4.524 7.576 ( 1.091 0.630 33.326) 33.350 9.159 ( -2.024 -1.169 15.958) 16.128 10.794 ( -1.149 -0.663 -24.521) 24.557 10.903 ( 3.785 2.185 -25.105) 25.483 11.355 ( -1.777 -1.026 -34.046) 34.108 13.993 ( -24.765 -14.298 1.302) 28.625 14.364 ( -12.355 -7.133 -0.480) 14.275 14.821 ( 8.961 5.174 5.998) 11.960 14.992 ( 10.446 6.031 5.937) 13.444 17.382 ( -0.627 -0.362 26.000) 26.010 17.911 ( -4.157 -2.400 10.146) 11.224 17.961 ( 3.858 2.227 18.109) 18.649 18.131 ( 4.897 2.827 11.282) 12.620 19.152 ( -0.252 -0.146 0.168) 0.336 20.140 ( -8.138 -4.698 -24.557) 26.293 20.372 ( 2.277 1.315 -13.938) 14.184 21.172 ( -11.505 -6.642 -20.001) 24.011 21.646 ( 10.559 6.096 -26.521) 29.190 22.106 ( -4.568 -2.638 -5.453) 7.587 22.328 ( 1.913 1.105 -8.254) 8.545 22.390 ( 3.028 1.748 -7.282) 8.078 23.506 ( -7.002 -4.042 -6.359) 10.286 23.876 ( 2.066 1.193 5.723) 6.201 23.889 ( 0.747 0.431 5.825) 5.889 24.664 ( -3.457 -1.996 -4.752) 6.206 24.695 ( -8.370 -4.833 24.511) 26.348 25.219 ( 15.145 8.744 20.000) 26.568 26.956 ( 0.082 0.047 -0.221) 0.241 27.038 ( 0.913 0.527 -4.079) 4.213 28.962 ( -1.678 -0.969 -4.520) 4.918 29.039 ( 1.277 0.737 -4.890) 5.107 29.313 ( -2.368 -1.367 6.183) 6.761 29.566 ( 0.565 0.326 4.318) 4.367 29.640 ( 2.554 1.475 6.778) 7.392 29.926 ( 2.022 1.167 1.791) 2.942 30.586 ( -1.036 -0.598 0.120) 1.202 30.600 ( 0.051 0.029 0.072) 0.093 ======================= Grid point 116 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 22.010 12.708 29.583) 39.001 3.593 ( 28.253 16.312 45.187) 55.734 4.697 ( 44.690 25.802 28.594) 58.996 6.783 ( -5.561 -3.210 -6.536) 9.162 7.140 ( 8.140 4.699 1.317) 9.491 7.909 ( 2.344 1.353 32.917) 33.028 9.263 ( -4.422 -2.553 24.159) 24.693 10.538 ( -1.116 -0.644 -30.889) 30.916 10.765 ( 5.679 3.279 -31.197) 31.879 11.080 ( 2.132 1.231 -27.627) 27.736 13.460 ( -28.229 -16.298 11.733) 34.643 14.121 ( -9.261 -5.347 -2.425) 10.965 14.988 ( 0.609 0.351 10.650) 10.674 15.235 ( 6.463 3.731 9.104) 11.772 17.506 ( -5.452 -3.148 21.030) 21.952 17.843 ( -8.082 -4.666 3.351) 9.916 18.311 ( 11.007 6.355 22.108) 25.501 18.315 ( 1.339 0.773 11.411) 11.516 19.054 ( -5.899 -3.406 -9.141) 11.400 19.795 ( -2.111 -1.219 -18.969) 19.125 20.283 ( 0.451 0.260 -14.181) 14.191 20.836 ( -7.433 -4.292 -11.712) 14.520 21.636 ( 10.552 6.092 -30.681) 33.012 21.952 ( -4.535 -2.618 -6.309) 8.199 22.308 ( 2.607 1.505 -8.230) 8.763 22.391 ( 3.068 1.772 -8.116) 8.856 23.319 ( -5.695 -3.288 -4.171) 7.788 23.947 ( -0.170 -0.098 6.360) 6.363 23.971 ( 0.275 0.159 10.519) 10.524 24.565 ( -0.293 -0.169 -9.604) 9.610 24.705 ( -7.868 -4.543 19.524) 21.534 25.664 ( 10.290 5.941 18.302) 21.821 26.956 ( 0.121 0.070 -0.227) 0.267 27.054 ( 3.180 1.836 -2.841) 4.643 28.901 ( -0.842 -0.486 -3.207) 3.351 29.015 ( 0.125 0.072 -4.558) 4.560 29.306 ( -2.888 -1.668 6.063) 6.920 29.609 ( 1.168 0.674 1.177) 1.790 29.740 ( 1.933 1.116 4.999) 5.475 30.003 ( 2.985 1.723 3.001) 4.570 30.557 ( -2.088 -1.206 0.945) 2.590 30.603 ( -0.080 -0.046 0.670) 0.677 ======================= Grid point 117 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 13.032 7.524 12.817) 19.767 4.548 ( 27.718 16.003 34.337) 46.941 5.846 ( 43.648 25.200 13.160) 52.090 6.523 ( -12.747 -7.359 -9.019) 17.262 7.356 ( 9.767 5.639 1.852) 11.429 8.178 ( -0.491 -0.284 24.074) 24.081 9.314 ( -11.472 -6.623 23.618) 27.079 10.261 ( 0.714 0.412 -29.041) 29.053 10.641 ( 8.155 4.708 -32.876) 34.198 11.010 ( 9.077 5.240 -19.099) 21.786 13.000 ( -27.625 -15.949 24.504) 40.224 13.900 ( -7.447 -4.299 -7.866) 11.654 15.058 ( -3.736 -2.157 15.688) 16.270 15.440 ( 3.957 2.285 12.604) 13.407 17.539 ( -6.744 -3.894 19.520) 21.016 17.577 ( -13.233 -7.640 -8.294) 17.386 18.327 ( -4.582 -2.645 2.159) 5.714 18.719 ( 9.134 5.274 16.835) 19.866 18.907 ( -0.168 -0.097 -2.428) 2.436 19.740 ( 3.931 2.270 -5.455) 7.097 20.165 ( -0.413 -0.239 -11.729) 11.739 20.632 ( -4.059 -2.343 -7.443) 8.796 21.589 ( 10.870 6.276 -35.370) 37.531 21.822 ( -2.596 -1.499 -5.153) 5.962 22.304 ( 3.181 1.837 -7.495) 8.347 22.387 ( 2.669 1.541 -7.686) 8.281 23.197 ( -2.613 -1.508 -2.953) 4.221 23.988 ( -0.913 -0.527 6.109) 6.199 24.066 ( -1.843 -1.064 16.119) 16.259 24.479 ( 1.112 0.642 -13.517) 13.578 24.683 ( -7.341 -4.238 14.589) 16.872 25.961 ( 4.739 2.736 12.912) 14.024 26.957 ( 0.139 0.080 -0.153) 0.222 27.122 ( 4.118 2.377 -0.526) 4.784 28.871 ( 0.014 0.008 -1.761) 1.762 28.972 ( -0.641 -0.370 -3.844) 3.915 29.292 ( -2.552 -1.474 4.630) 5.488 29.637 ( 1.315 0.759 -0.896) 1.764 29.803 ( 0.801 0.462 2.486) 2.653 30.096 ( 2.908 1.679 3.150) 4.604 30.513 ( -2.910 -1.680 1.882) 3.852 30.608 ( -0.253 -0.146 1.252) 1.286 ======================= Grid point 118 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 4.159 2.401 1.912) 5.169 5.306 ( 16.158 9.329 19.023) 26.646 6.103 ( -14.923 -8.616 -7.589) 18.829 6.748 ( 30.471 17.592 3.091) 35.320 7.571 ( 7.182 4.146 3.658) 9.063 8.279 ( -6.340 -3.660 16.688) 18.223 9.110 ( -18.629 -10.756 8.465) 23.117 10.151 ( 8.361 4.827 -17.900) 20.338 10.578 ( 8.752 5.053 -25.739) 27.652 11.118 ( 12.104 6.988 -11.974) 18.405 12.660 ( -23.351 -13.482 25.477) 37.095 13.657 ( -5.873 -3.391 -15.192) 16.637 15.112 ( -4.867 -2.810 19.968) 20.744 15.593 ( -0.882 -0.509 12.975) 13.015 17.310 ( -2.703 -1.561 -2.618) 4.074 17.555 ( -6.689 -3.862 19.324) 20.810 18.220 ( -4.633 -2.675 -3.289) 6.280 18.891 ( -1.851 -1.069 0.233) 2.151 18.947 ( 1.628 0.940 4.472) 4.851 19.813 ( 4.430 2.557 0.508) 5.140 20.130 ( 3.728 2.152 -1.825) 4.676 20.533 ( -0.641 -0.370 -3.963) 4.031 21.523 ( 11.835 6.833 -37.952) 40.337 21.763 ( 0.369 0.213 -2.665) 2.699 22.322 ( 3.785 2.185 -6.108) 7.511 22.377 ( 1.937 1.118 -6.582) 6.952 23.154 ( 0.931 0.537 -3.165) 3.342 24.010 ( -1.587 -0.916 5.432) 5.732 24.162 ( -3.877 -2.239 21.443) 21.905 24.378 ( 1.447 0.836 -17.392) 17.472 24.633 ( -6.775 -3.911 10.161) 12.823 26.089 ( -0.541 -0.312 6.818) 6.847 26.960 ( 0.140 0.081 -0.020) 0.163 27.210 ( 3.016 1.741 1.774) 3.908 28.871 ( 0.726 0.419 -0.361) 0.913 28.931 ( -0.353 -0.204 -2.766) 2.796 29.271 ( -2.013 -1.162 2.252) 3.236 29.651 ( 0.945 0.545 -1.696) 2.017 29.815 ( -0.566 -0.327 -0.102) 0.661 30.173 ( 1.627 0.939 2.579) 3.191 30.468 ( -2.763 -1.595 2.557) 4.089 30.612 ( -0.423 -0.244 1.508) 1.585 ======================= Grid point 119 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( -5.251 -3.031 -4.506) 7.554 5.088 ( -30.339 -17.516 -13.263) 37.459 6.223 ( 16.062 9.273 12.806) 22.538 7.141 ( 6.648 3.838 -5.281) 9.317 7.618 ( -13.385 -7.728 7.893) 17.354 8.149 ( -15.921 -9.192 10.025) 20.940 8.814 ( -6.413 -3.702 -1.596) 7.575 10.334 ( 16.631 9.602 -4.523) 19.730 10.579 ( 8.509 4.913 -17.820) 20.349 11.305 ( 10.977 6.338 -4.663) 13.506 12.454 ( -9.279 -5.357 15.850) 19.132 13.401 ( -2.375 -1.371 -22.933) 23.097 15.187 ( -4.628 -2.672 22.307) 22.938 15.611 ( -5.766 -3.329 10.705) 12.607 17.445 ( 8.693 5.019 11.161) 15.011 17.577 ( -6.226 -3.595 19.321) 20.615 18.062 ( -4.226 -2.440 -10.546) 11.620 18.651 ( -12.567 -7.256 -15.239) 21.043 19.043 ( 2.408 1.390 7.960) 8.431 19.954 ( 5.612 3.240 8.643) 10.802 20.277 ( 6.731 3.886 4.807) 9.139 20.535 ( 3.111 1.796 -1.509) 3.896 21.476 ( 13.156 7.596 -37.190) 40.173 21.790 ( 3.032 1.751 -0.460) 3.532 22.361 ( 1.240 0.716 -5.337) 5.526 22.367 ( 4.214 2.433 -3.710) 6.119 23.179 ( 4.086 2.359 -4.218) 6.328 24.009 ( -2.027 -1.170 3.359) 4.094 24.247 ( 1.183 0.683 -20.058) 20.104 24.257 ( -5.647 -3.260 25.566) 26.384 24.560 ( -6.399 -3.694 6.691) 9.968 26.061 ( -5.239 -3.025 1.948) 6.356 26.963 ( 0.103 0.059 0.098) 0.154 27.268 ( 0.420 0.243 2.475) 2.522 28.896 ( 1.338 0.773 0.965) 1.822 28.917 ( 0.871 0.503 -1.487) 1.796 29.241 ( -1.458 -0.842 -0.344) 1.719 29.650 ( 0.167 0.096 -1.268) 1.283 29.777 ( -1.952 -1.127 -2.208) 3.155 30.196 ( -1.581 -0.913 2.155) 2.824 30.450 ( -0.538 -0.311 2.379) 2.459 30.614 ( -0.509 -0.294 1.289) 1.417 ======================= Grid point 120 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( -18.413 -10.630 -8.450) 22.879 4.166 ( -40.716 -23.507 -15.571) 49.526 6.641 ( 12.505 7.220 8.660) 16.837 6.919 ( -44.425 -25.649 0.072) 51.297 7.070 ( -16.734 -9.661 3.065) 19.565 7.864 ( -13.676 -7.896 2.158) 15.938 8.801 ( 3.579 2.067 -2.125) 4.647 10.678 ( 12.390 7.153 -12.070) 18.719 10.743 ( 19.035 10.990 4.133) 22.364 11.506 ( 8.122 4.689 3.029) 9.856 12.589 ( 10.964 6.330 11.107) 16.841 13.196 ( 4.890 2.823 -29.857) 30.386 15.277 ( -4.739 -2.736 22.225) 22.889 15.554 ( -7.092 -4.095 9.217) 12.330 17.610 ( -5.802 -3.350 19.605) 20.719 17.681 ( 0.942 0.544 7.223) 7.305 17.913 ( 1.977 1.141 -10.909) 11.146 18.163 ( -16.737 -9.663 -20.922) 28.482 19.164 ( 2.116 1.221 6.343) 6.797 20.212 ( 6.582 3.800 16.922) 18.551 20.439 ( 5.125 2.959 1.081) 6.015 20.681 ( 10.916 6.302 5.496) 13.751 21.474 ( 13.922 8.038 -33.328) 37.003 21.872 ( 4.411 2.547 -0.228) 5.099 22.344 ( 0.979 0.565 -4.030) 4.186 22.444 ( 4.184 2.416 0.068) 4.832 23.256 ( 6.519 3.764 -5.296) 9.204 23.959 ( -0.977 -0.564 -9.702) 9.767 24.112 ( -0.271 -0.156 -11.455) 11.459 24.344 ( -6.424 -3.709 25.251) 26.318 24.469 ( -7.061 -4.077 7.101) 10.812 25.902 ( -9.360 -5.404 -1.404) 10.899 26.965 ( 0.013 0.008 0.129) 0.130 27.266 ( -2.097 -1.211 1.648) 2.929 28.944 ( 2.199 1.269 -0.395) 2.569 28.945 ( 1.939 1.119 2.156) 3.108 29.204 ( -0.835 -0.482 -2.262) 2.460 29.638 ( -0.796 -0.460 0.106) 0.925 29.697 ( -3.148 -1.818 -3.507) 5.052 30.146 ( -4.193 -2.421 2.091) 5.274 30.480 ( 1.482 0.856 1.401) 2.212 30.612 ( -0.449 -0.259 0.747) 0.909 ======================= Grid point 121 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -33.753 -19.487 -7.193) 39.633 3.109 ( -45.324 -26.168 -10.014) 53.285 5.600 ( -73.960 -42.701 9.724) 85.953 6.824 ( -8.241 -4.758 0.048) 9.517 6.901 ( 6.339 3.660 4.520) 8.603 7.593 ( -12.649 -7.303 1.256) 14.660 8.869 ( 3.330 1.922 -0.407) 3.866 10.881 ( 12.960 7.482 -8.433) 17.177 11.122 ( 10.810 6.241 2.951) 12.827 11.722 ( 7.376 4.259 7.616) 11.426 13.055 ( 22.056 12.734 9.452) 27.165 13.161 ( 16.610 9.590 -30.416) 35.958 15.334 ( -6.564 -3.790 18.718) 20.194 15.446 ( -8.409 -4.855 4.313) 10.625 17.587 ( -17.874 -10.320 2.157) 20.752 17.620 ( -2.192 -1.265 -5.357) 5.925 17.690 ( -3.883 -2.242 -0.943) 4.582 17.956 ( 1.752 1.011 1.380) 2.449 19.214 ( -0.559 -0.323 1.760) 1.874 20.421 ( 3.528 2.037 6.406) 7.592 20.509 ( 3.308 1.910 -5.633) 6.806 21.165 ( 20.020 11.559 23.039) 32.638 21.512 ( 13.317 7.689 -28.697) 32.557 21.961 ( 4.376 2.526 -2.422) 5.603 22.339 ( 1.250 0.722 -2.940) 3.275 22.548 ( 3.075 1.776 5.350) 6.421 23.368 ( 8.020 4.630 -5.996) 11.032 23.799 ( 1.894 1.094 -27.524) 27.611 24.061 ( -2.088 -1.206 3.750) 4.459 24.322 ( -5.270 -3.043 -1.176) 6.198 24.452 ( -9.715 -5.609 32.936) 34.794 25.642 ( -12.235 -7.064 -3.579) 14.574 26.965 ( -0.095 -0.055 0.064) 0.127 27.212 ( -3.424 -1.977 0.240) 3.961 28.998 ( 2.865 1.654 -0.499) 3.345 29.015 ( 2.451 1.415 2.847) 4.014 29.173 ( -0.069 -0.040 -2.235) 2.237 29.588 ( -3.852 -2.224 -3.666) 5.764 29.619 ( -1.695 -0.978 1.937) 2.753 30.063 ( -4.719 -2.725 1.729) 5.717 30.527 ( 1.926 1.112 0.532) 2.286 30.608 ( -0.268 -0.155 0.158) 0.348 ======================= Grid point 122 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -45.347 -26.181 7.259) 52.863 2.227 ( -42.977 -24.813 8.790) 50.398 4.005 ( -82.262 -47.494 23.791) 97.922 6.749 ( -1.341 -0.774 7.960) 8.109 7.007 ( 1.480 0.855 1.517) 2.285 7.337 ( -11.945 -6.897 2.570) 14.031 8.936 ( 2.296 1.325 1.659) 3.127 11.056 ( 9.086 5.246 -8.916) 13.769 11.246 ( 1.460 0.843 -2.634) 3.128 11.886 ( 4.929 2.846 -4.518) 7.267 13.443 ( 27.079 15.634 -16.927) 35.556 13.643 ( 23.910 13.805 8.165) 28.791 15.249 ( -10.448 -6.032 -2.723) 12.367 15.273 ( -10.878 -6.280 9.927) 16.010 17.180 ( -13.625 -7.866 -1.464) 15.801 17.580 ( 1.169 0.675 -0.514) 1.445 17.724 ( -3.140 -1.813 14.425) 14.874 17.976 ( -1.521 -0.878 3.956) 4.329 19.187 ( -2.188 -1.263 0.288) 2.543 20.504 ( 2.733 1.578 -10.273) 10.747 20.509 ( 2.694 1.555 -0.618) 3.172 21.559 ( 12.008 6.933 -25.727) 29.226 21.776 ( 16.768 9.681 18.590) 26.842 22.006 ( 2.987 1.724 -6.878) 7.694 22.348 ( 1.768 1.021 -2.731) 3.409 22.641 ( -1.454 -0.839 8.724) 8.884 23.497 ( 8.400 4.850 -6.099) 11.458 23.643 ( 6.715 3.877 -26.495) 27.607 24.080 ( -0.907 -0.524 9.944) 9.999 24.169 ( -6.779 -3.914 -3.295) 8.493 24.526 ( -9.624 -5.557 33.774) 35.556 25.330 ( -12.487 -7.210 -4.790) 15.194 26.962 ( -0.147 -0.085 -0.038) 0.174 27.134 ( -3.146 -1.816 -0.669) 3.694 29.043 ( 2.474 1.428 -3.491) 4.511 29.090 ( 2.214 1.278 1.685) 3.062 29.176 ( 0.959 0.554 1.305) 1.711 29.482 ( -3.337 -1.927 -1.556) 4.156 29.597 ( -2.457 -1.419 3.511) 4.514 29.978 ( -3.956 -2.284 1.067) 4.691 30.568 ( 1.617 0.934 0.006) 1.867 30.604 ( -0.064 -0.037 -0.268) 0.278 ======================= Grid point 125 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.000 9.783 54.113) 54.990 2.960 ( -0.000 11.231 51.300) 52.515 3.999 ( -0.000 45.866 44.127) 63.647 6.893 ( 0.000 0.402 -4.262) 4.281 6.954 ( -0.000 2.390 -3.479) 4.221 7.889 ( -0.000 4.297 34.867) 35.131 9.344 ( -0.000 -2.483 28.589) 28.696 10.572 ( 0.000 -4.978 -38.738) 39.057 10.586 ( 0.000 1.147 -28.466) 28.489 11.105 ( 0.000 7.886 -35.617) 36.480 14.015 ( 0.000 -26.965 7.869) 28.090 14.240 ( 0.000 -20.552 -6.286) 21.492 14.964 ( -0.000 10.606 16.291) 19.439 15.119 ( -0.000 16.169 10.189) 19.112 17.645 ( -0.000 -0.445 30.922) 30.926 17.937 ( 0.000 -8.061 11.621) 14.144 18.176 ( -0.000 3.936 10.296) 11.023 18.215 ( -0.000 8.217 18.855) 20.567 19.165 ( -0.000 0.202 0.294) 0.357 19.896 ( 0.000 -12.902 -31.610) 34.141 20.236 ( 0.000 4.551 -17.288) 17.877 21.044 ( 0.000 -7.185 -19.371) 20.660 21.348 ( 0.000 4.865 -28.638) 29.049 22.079 ( 0.000 -2.689 -5.761) 6.358 22.189 ( 0.000 -3.312 -8.841) 9.441 22.373 ( -0.000 8.285 -10.084) 13.051 23.428 ( 0.000 -5.737 -11.806) 13.126 23.880 ( -0.000 -6.465 15.221) 16.537 24.002 ( -0.000 4.714 5.917) 7.565 24.543 ( 0.000 -5.595 -7.153) 9.081 24.994 ( -0.000 -1.405 13.459) 13.532 25.383 ( -0.000 12.769 28.282) 31.031 26.954 ( 0.000 0.130 -0.259) 0.289 27.003 ( 0.000 1.719 -4.330) 4.659 28.919 ( 0.000 -2.498 -4.262) 4.940 29.007 ( 0.000 2.171 -3.933) 4.492 29.373 ( -0.000 -0.614 5.121) 5.157 29.585 ( -0.000 -2.622 4.737) 5.415 29.686 ( -0.000 1.654 4.299) 4.606 29.958 ( -0.000 3.962 3.442) 5.249 30.594 ( 0.000 -1.047 0.779) 1.305 30.602 ( -0.000 0.077 1.133) 1.135 ======================= Grid point 126 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 8.953 12.532 35.219) 38.439 3.633 ( 23.374 7.239 44.567) 50.842 4.871 ( 12.323 48.807 28.378) 57.786 6.808 ( -5.353 0.393 -5.502) 7.686 7.029 ( 8.118 2.886 -2.743) 9.041 8.200 ( -0.622 5.430 26.370) 26.931 9.588 ( -4.947 -3.331 41.962) 42.383 10.154 ( 3.717 -10.695 -43.763) 45.203 10.412 ( 4.897 6.449 -31.395) 32.423 10.911 ( -1.077 15.525 -33.585) 37.015 13.729 ( -14.633 -25.797 17.530) 34.451 14.007 ( 0.978 -22.412 -2.887) 22.618 15.176 ( -2.528 5.808 18.906) 19.939 15.367 ( 1.019 13.132 12.093) 17.881 17.787 ( -8.531 -4.291 23.665) 25.519 17.955 ( -4.594 -4.782 9.568) 11.641 18.336 ( 4.412 0.799 12.291) 13.083 18.483 ( 2.415 9.045 18.812) 21.013 19.055 ( -8.709 -3.995 -10.775) 14.420 19.550 ( 7.176 -8.613 -22.303) 24.962 20.150 ( 1.192 4.173 -16.505) 17.066 20.788 ( -4.668 -3.741 -15.267) 16.397 21.215 ( 9.234 1.096 -32.124) 33.443 21.951 ( -4.731 -1.860 -6.636) 8.360 22.143 ( 4.940 -2.645 -7.766) 9.577 22.364 ( 0.294 8.156 -10.761) 13.506 23.259 ( -1.057 -5.204 -11.597) 12.755 23.963 ( 0.927 -7.697 16.477) 18.210 24.089 ( -0.134 2.694 7.221) 7.708 24.449 ( 0.613 0.797 -10.949) 10.995 24.999 ( -8.256 -3.216 14.463) 16.961 25.776 ( 5.252 9.715 22.155) 24.756 26.954 ( 0.063 0.187 -0.256) 0.323 27.010 ( 2.049 3.270 -2.963) 4.865 28.864 ( 0.245 -2.358 -3.217) 3.996 28.995 ( -0.537 1.907 -3.003) 3.597 29.388 ( -2.493 -0.526 4.648) 5.300 29.595 ( 0.902 -1.634 0.904) 2.073 29.741 ( 2.105 -0.556 3.059) 3.755 30.041 ( 0.594 4.957 4.113) 6.468 30.583 ( -1.062 -1.708 1.954) 2.804 30.617 ( -0.254 0.190 2.106) 2.130 ======================= Grid point 127 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 7.332 5.940 16.534) 19.038 4.521 ( 29.369 12.324 35.176) 47.453 5.761 ( 19.957 41.326 17.056) 48.960 6.614 ( -11.994 -2.001 -6.975) 14.018 7.210 ( 12.498 3.219 -1.889) 13.043 8.396 ( -1.522 2.650 15.756) 16.049 9.635 ( -5.905 -9.671 -4.815) 12.312 9.895 ( 0.037 -7.255 -0.919) 7.313 10.357 ( 7.472 13.274 -25.882) 30.032 10.828 ( 3.060 18.827 -26.068) 32.301 13.405 ( -18.274 -25.339 26.598) 41.030 13.778 ( -1.426 -21.141 -2.750) 21.367 15.316 ( -5.965 2.835 21.858) 22.834 15.603 ( 0.183 10.477 15.311) 18.553 17.629 ( -14.167 -11.253 -5.011) 18.774 17.873 ( -12.571 0.200 19.246) 22.988 18.363 ( -3.053 -5.306 -0.161) 6.124 18.779 ( 5.671 3.952 13.353) 15.036 18.908 ( 0.783 2.539 2.912) 3.942 19.557 ( 12.046 -4.046 -8.163) 15.103 20.076 ( 0.502 4.431 -12.347) 13.127 20.590 ( -2.315 -1.924 -11.387) 11.778 21.101 ( 11.715 -0.243 -36.214) 38.063 21.816 ( -3.461 -0.596 -5.544) 6.563 22.144 ( 5.216 -1.899 -7.117) 9.026 22.359 ( 0.841 7.823 -10.277) 12.943 23.120 ( 0.950 -3.523 -10.879) 11.475 24.025 ( 0.289 -7.026 11.856) 13.784 24.165 ( 0.409 -1.811 8.044) 8.255 24.397 ( -0.283 6.252 -9.024) 10.982 24.937 ( -9.442 -4.361 14.004) 17.443 26.064 ( 1.592 6.095 14.443) 15.757 26.955 ( 0.113 0.217 -0.183) 0.305 27.082 ( 4.021 4.002 -0.393) 5.686 28.831 ( 1.186 -2.325 -2.077) 3.335 28.975 ( -1.596 1.945 -1.720) 3.048 29.364 ( -3.444 -1.102 3.184) 4.817 29.604 ( 1.706 -0.086 -1.842) 2.513 29.786 ( 2.105 -1.655 1.474) 3.056 30.130 ( 0.659 4.481 3.615) 5.795 30.560 ( -2.124 -2.220 3.080) 4.350 30.631 ( -0.717 0.089 2.684) 2.779 ======================= Grid point 128 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.037 ( 3.088 1.111 4.704) 5.736 5.341 ( 21.262 16.534 23.761) 35.918 6.226 ( -18.905 -5.908 -8.047) 21.379 6.552 ( 20.925 24.455 7.102) 32.959 7.453 ( 13.395 4.163 0.381) 14.032 8.483 ( -3.161 -0.040 11.538) 11.963 9.324 ( -10.086 -9.682 -15.731) 21.046 9.810 ( 3.499 -4.582 -6.125) 8.412 10.472 ( 6.031 15.664 -8.460) 18.796 10.919 ( 7.338 19.305 -17.572) 27.116 13.057 ( -22.143 -25.519 22.983) 40.862 13.508 ( -3.291 -19.545 -6.451) 20.844 15.416 ( -7.850 1.890 23.956) 25.280 15.799 ( -4.329 6.209 16.512) 18.165 17.298 ( -3.530 -4.817 -4.154) 7.275 17.859 ( -10.810 -0.484 21.186) 23.790 18.237 ( -5.208 -4.222 -3.697) 7.656 18.899 ( 0.102 -2.412 2.430) 3.426 18.991 ( -0.945 1.633 3.316) 3.815 19.682 ( 12.213 -2.511 -1.879) 12.609 20.091 ( 3.620 6.706 -2.510) 8.024 20.490 ( 0.697 -0.194 -6.866) 6.904 20.995 ( 14.061 -0.248 -37.182) 39.753 21.747 ( -0.595 1.338 -3.324) 3.632 22.155 ( 5.477 -2.115 -6.407) 8.691 22.368 ( 1.181 8.139 -9.251) 12.378 23.045 ( 3.745 -1.410 -10.382) 11.126 24.032 ( 0.476 -5.999 2.232) 6.418 24.183 ( -0.442 -1.774 0.805) 1.997 24.420 ( -1.765 5.701 4.348) 7.384 24.852 ( -9.617 -5.392 14.236) 18.006 26.186 ( -2.790 3.075 6.999) 8.138 26.959 ( 0.145 0.217 -0.059) 0.267 27.193 ( 3.899 3.330 1.788) 5.430 28.822 ( 2.110 -2.529 -1.071) 3.464 28.958 ( -2.054 2.621 0.128) 3.333 29.312 ( -3.003 -1.498 0.086) 3.357 29.618 ( 1.671 0.707 -2.040) 2.730 29.798 ( 0.816 -1.856 -0.589) 2.111 30.203 ( 0.345 3.199 2.963) 4.374 30.524 ( -2.905 -2.257 3.521) 5.092 30.638 ( -1.032 -0.255 2.637) 2.843 ======================= Grid point 129 (45/116) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -3.191 -3.847 -1.947) 5.364 5.467 ( -33.966 0.878 -7.815) 34.864 6.142 ( 16.752 6.854 13.089) 22.337 7.001 ( 11.854 6.351 -2.425) 13.665 7.683 ( 5.320 1.302 3.827) 6.682 8.463 ( -13.250 -2.803 12.356) 18.332 8.884 ( -13.402 -8.283 -11.031) 19.233 9.948 ( 22.184 -1.195 -4.354) 22.639 10.643 ( -2.807 19.590 -0.764) 19.805 11.109 ( 12.145 16.948 -15.912) 26.229 12.627 ( -15.501 -21.417 9.846) 28.212 13.203 ( -3.529 -16.474 -11.439) 20.364 15.504 ( -8.159 1.122 24.481) 25.829 15.824 ( -9.521 -0.574 12.476) 15.705 17.423 ( 11.103 3.703 11.929) 16.712 17.859 ( -9.379 -0.636 19.018) 21.215 18.036 ( -7.452 -3.896 -9.688) 12.828 18.680 ( -13.458 -6.465 -12.503) 19.474 19.071 ( 3.494 0.432 6.880) 7.729 19.889 ( 13.431 -0.264 6.062) 14.738 20.243 ( 5.577 6.683 0.997) 8.762 20.485 ( 3.199 1.821 -3.649) 5.183 20.946 ( 16.336 0.289 -32.269) 36.169 21.765 ( 2.181 3.425 -1.533) 4.340 22.173 ( 5.909 -3.606 -5.140) 8.622 22.399 ( 1.443 9.434 -7.502) 12.140 23.039 ( 6.311 0.632 -9.740) 11.623 23.953 ( 0.566 -3.325 -12.522) 12.968 24.161 ( -2.484 -0.375 2.985) 3.901 24.485 ( -2.502 1.692 8.636) 9.149 24.774 ( -9.494 -6.517 18.635) 21.906 26.160 ( -6.620 0.678 1.501) 6.822 26.963 ( 0.130 0.177 0.049) 0.225 27.280 ( 1.549 1.647 1.877) 2.938 28.835 ( 2.926 -2.536 0.087) 3.873 28.965 ( -1.625 3.532 1.923) 4.337 29.244 ( -1.876 -1.559 -2.926) 3.809 29.635 ( 0.960 0.813 -1.008) 1.612 29.768 ( -0.881 -1.723 -2.339) 3.036 30.243 ( -1.242 1.136 2.782) 3.252 30.489 ( -2.251 -1.381 2.806) 3.854 30.636 ( -1.104 -0.631 2.012) 2.381 ======================= Grid point 130 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -13.447 -10.454 -4.064) 17.511 4.701 ( -46.241 -1.487 -8.381) 47.018 6.575 ( 12.360 8.118 8.670) 17.142 7.039 ( -3.299 -2.006 -7.244) 8.208 7.518 ( -26.761 -16.362 8.137) 32.405 8.135 ( -23.914 -8.520 8.533) 26.783 8.742 ( 3.157 0.530 -2.028) 3.789 10.373 ( 26.129 3.224 2.242) 26.422 10.722 ( -3.497 15.272 -1.513) 15.740 11.366 ( 15.217 14.828 -12.283) 24.541 12.483 ( 8.472 -7.425 5.111) 12.370 12.916 ( -0.919 -9.823 -15.855) 18.674 15.578 ( -8.192 -0.789 23.271) 24.683 15.731 ( -9.349 -4.536 8.337) 13.322 17.745 ( 3.974 1.086 15.188) 15.737 17.790 ( -1.185 -1.275 -14.275) 14.381 17.861 ( -7.522 -0.356 11.908) 14.090 18.229 ( -18.894 -7.421 -10.466) 22.838 19.182 ( 2.768 0.324 4.177) 5.022 20.207 ( 14.865 0.639 5.695) 15.931 20.354 ( 3.016 3.094 -2.602) 5.044 20.616 ( 10.780 7.555 5.053) 14.100 20.995 ( 16.562 0.802 -21.735) 27.338 21.842 ( 3.333 5.315 -1.786) 6.523 22.192 ( 6.089 -5.127 -3.730) 8.790 22.472 ( 2.129 10.035 -3.762) 10.926 23.096 ( 8.208 2.424 -8.503) 12.064 23.786 ( -0.648 -0.019 -22.542) 22.551 24.146 ( -3.004 -1.136 5.728) 6.567 24.481 ( -4.254 -0.602 1.819) 4.665 24.757 ( -8.329 -8.016 28.200) 30.478 26.015 ( -10.248 -1.084 -2.264) 10.551 26.966 ( 0.047 0.095 0.074) 0.129 27.300 ( -1.356 -0.006 0.562) 1.468 28.873 ( 3.719 -2.075 1.269) 4.443 29.001 ( -0.843 3.973 2.610) 4.828 29.179 ( -0.539 -1.319 -4.055) 4.298 29.647 ( 0.018 0.543 0.361) 0.652 29.700 ( -2.504 -1.456 -3.292) 4.385 30.222 ( -4.180 -1.264 3.023) 5.311 30.483 ( 0.130 0.122 1.235) 1.247 30.626 ( -0.909 -0.798 1.125) 1.652 ======================= Grid point 131 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -28.377 -14.827 2.024) 32.081 3.853 ( -51.498 2.761 -2.686) 51.642 6.449 ( -51.389 -21.870 3.179) 55.940 6.913 ( -0.262 6.480 6.005) 8.838 6.966 ( -12.447 -10.084 5.592) 16.967 7.796 ( -17.240 -7.641 8.065) 20.509 8.823 ( 4.519 1.351 1.351) 4.906 10.726 ( 9.165 9.100 -2.520) 13.159 10.921 ( 16.790 4.258 -3.655) 17.702 11.659 ( 12.446 7.935 -0.860) 14.786 12.656 ( 17.197 -4.665 -18.409) 25.620 12.913 ( 16.022 10.200 3.590) 19.330 15.550 ( -9.993 -7.975 5.410) 13.883 15.607 ( -8.441 -3.735 13.530) 16.379 17.602 ( -3.901 -1.663 -9.761) 10.643 17.664 ( -11.316 -3.196 -12.402) 17.090 17.949 ( -10.626 -2.145 21.120) 23.740 17.964 ( 0.954 0.110 9.288) 9.338 19.224 ( 0.614 -0.696 0.074) 0.932 20.320 ( 9.058 0.742 -20.437) 22.366 20.421 ( 2.867 1.314 1.712) 3.588 21.030 ( 17.526 -0.336 -4.803) 18.175 21.195 ( 17.618 11.257 12.264) 24.239 21.925 ( 2.600 6.619 -4.301) 8.311 22.216 ( 6.052 -4.918 -2.753) 8.270 22.595 ( 2.932 7.227 3.469) 8.536 23.206 ( 9.145 4.067 -6.642) 12.012 23.565 ( -1.093 3.254 -28.654) 28.859 24.138 ( -2.503 -2.167 6.856) 7.613 24.385 ( -6.100 -1.135 -1.244) 6.328 24.801 ( -7.146 -10.543 31.330) 33.819 25.778 ( -13.477 -1.348 -4.440) 14.253 26.967 ( -0.078 -0.002 0.006) 0.079 27.252 ( -3.391 -0.899 -0.914) 3.625 28.933 ( 3.975 -1.302 1.032) 4.308 29.043 ( 0.155 2.751 0.177) 2.761 29.149 ( 0.643 -0.163 -0.505) 0.834 29.609 ( -3.676 -0.856 -2.937) 4.783 29.652 ( -0.854 0.137 1.684) 1.894 30.146 ( -5.700 -2.304 2.738) 6.730 30.508 ( 1.628 0.567 0.133) 1.729 30.613 ( -0.549 -0.646 0.337) 0.913 ======================= Grid point 132 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -38.617 -6.346 21.064) 44.444 3.059 ( -52.111 5.113 9.420) 53.202 5.193 ( -76.806 -25.152 19.341) 83.101 6.843 ( -2.770 -2.913 8.117) 9.058 7.018 ( 0.315 2.486 1.619) 2.983 7.550 ( -14.634 -5.818 10.837) 19.117 8.922 ( 3.468 0.821 4.101) 5.433 10.898 ( 7.434 6.807 -7.359) 12.480 11.100 ( 9.837 2.049 -13.748) 17.029 11.777 ( 1.611 -4.727 -4.946) 7.029 12.925 ( 32.650 7.939 -13.143) 36.080 13.442 ( 23.347 13.607 8.602) 28.359 15.300 ( -9.115 -9.370 -5.366) 14.131 15.485 ( -12.177 -7.836 7.927) 16.508 17.324 ( -9.758 -2.736 -3.517) 10.727 17.598 ( -0.222 3.154 3.307) 4.575 17.946 ( -8.693 -2.689 20.705) 22.616 18.044 ( -0.981 -0.298 8.469) 8.531 19.204 ( -0.773 -1.356 -1.299) 2.031 20.278 ( 8.362 0.051 -22.687) 24.179 20.471 ( 2.563 1.872 -3.971) 5.084 21.139 ( 14.378 -3.886 -16.281) 22.066 21.751 ( 14.615 11.300 13.047) 22.616 21.966 ( 0.695 6.114 -6.806) 9.175 22.253 ( 5.447 -1.969 -2.869) 6.464 22.726 ( -0.383 -2.085 10.352) 10.567 23.328 ( 7.409 3.464 -13.557) 15.833 23.417 ( 6.375 11.432 -16.580) 21.124 24.133 ( -1.607 -4.639 4.857) 6.906 24.269 ( -6.340 1.118 1.935) 6.722 24.832 ( -5.992 -14.545 28.534) 32.583 25.501 ( -15.607 1.648 -3.138) 16.005 26.964 ( -0.165 -0.058 -0.096) 0.200 27.169 ( -3.905 -0.845 -1.890) 4.419 28.974 ( 2.588 -0.135 -3.258) 4.163 29.072 ( 2.172 0.372 -0.268) 2.219 29.182 ( 0.922 0.371 3.492) 3.631 29.530 ( -3.578 0.829 -0.378) 3.692 29.650 ( -1.665 -0.361 2.975) 3.429 30.050 ( -5.578 -2.193 2.103) 6.352 30.542 ( 2.035 0.208 -0.337) 2.073 30.603 ( -0.208 -0.239 -0.122) 0.339 ======================= Grid point 136 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -0.000 3.637 28.158) 28.392 3.824 ( -0.000 14.992 41.422) 44.051 5.493 ( -0.000 52.174 22.706) 56.901 6.848 ( -0.000 3.292 -4.908) 5.909 6.926 ( 0.000 0.866 -4.193) 4.281 8.417 ( -0.000 3.761 12.562) 13.113 9.574 ( 0.000 -15.274 -49.982) 52.264 10.045 ( -0.000 -4.852 57.362) 57.567 10.220 ( 0.000 16.714 -29.261) 33.698 10.805 ( -0.000 22.914 -36.513) 43.107 13.697 ( 0.000 -30.511 0.838) 30.522 13.806 ( 0.000 -27.064 26.713) 38.027 15.424 ( -0.000 4.190 21.338) 21.745 15.596 ( -0.000 13.601 13.224) 18.970 17.967 ( 0.000 -6.868 8.855) 11.206 18.110 ( -0.000 -3.475 24.632) 24.876 18.410 ( -0.000 1.879 9.260) 9.449 18.694 ( -0.000 5.801 12.892) 14.137 19.049 ( 0.000 -10.932 -26.693) 28.845 19.090 ( 0.000 -3.255 -7.709) 8.368 20.065 ( 0.000 6.778 -14.018) 15.571 20.644 ( 0.000 -3.771 -18.666) 19.043 20.888 ( 0.000 -0.582 -27.778) 27.784 21.947 ( 0.000 -0.532 -6.212) 6.235 21.992 ( 0.000 -2.465 -7.233) 7.642 22.341 ( -0.000 8.380 -12.022) 14.654 23.103 ( 0.000 -5.245 -13.661) 14.633 24.014 ( 0.000 -9.318 14.139) 16.934 24.167 ( -0.000 2.063 6.046) 6.388 24.396 ( -0.000 5.644 -7.148) 9.108 25.114 ( 0.000 -7.541 10.990) 13.328 26.027 ( -0.000 10.745 20.433) 23.086 26.953 ( -0.000 0.267 -0.254) 0.369 27.006 ( -0.000 4.550 -2.445) 5.165 28.810 ( 0.000 -2.819 -2.573) 3.817 29.005 ( -0.000 2.388 -1.076) 2.619 29.445 ( -0.000 1.187 2.722) 2.970 29.563 ( 0.000 -3.600 -0.614) 3.652 29.733 ( 0.000 -1.058 1.702) 2.004 30.122 ( -0.000 5.508 3.659) 6.613 30.592 ( 0.000 -2.450 2.989) 3.865 30.648 ( -0.000 0.424 3.500) 3.526 ======================= Grid point 137 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -0.435 3.209 17.126) 17.429 4.495 ( 21.353 14.166 34.111) 42.664 6.155 ( 2.887 44.930 15.866) 47.737 6.748 ( -9.349 3.317 -5.122) 11.164 7.005 ( 10.975 1.222 -4.171) 11.805 8.498 ( 0.471 -0.174 3.750) 3.784 9.086 ( 8.371 -14.253 -44.989) 47.929 10.196 ( 4.202 24.318 -27.708) 37.105 10.335 ( -15.875 -5.734 37.011) 40.678 10.800 ( 4.330 24.893 -18.496) 31.313 13.425 ( -1.194 -32.496 8.902) 33.715 13.732 ( -7.788 -27.313 29.118) 40.675 15.609 ( -3.208 1.875 22.242) 22.550 15.846 ( 0.460 12.760 16.510) 20.872 17.740 ( -19.404 -11.310 -8.327) 23.953 18.214 ( -2.343 -3.548 13.038) 13.714 18.336 ( -6.844 -3.757 0.841) 7.852 18.776 ( 6.339 -0.650 4.997) 8.098 18.993 ( 1.744 2.106 4.120) 4.945 19.165 ( 14.945 -2.347 -5.522) 16.104 20.035 ( 0.449 7.198 -9.103) 11.613 20.455 ( 1.105 -3.026 -17.742) 18.032 20.695 ( 3.884 -0.821 -25.520) 25.827 21.830 ( -4.087 -0.045 -5.196) 6.611 21.988 ( 4.972 -1.262 -6.391) 8.195 22.326 ( 0.873 8.646 -12.076) 14.878 22.955 ( 1.515 -3.775 -13.289) 13.898 24.009 ( 0.506 -6.695 1.768) 6.943 24.222 ( -1.069 0.781 5.458) 5.617 24.438 ( 0.088 5.797 3.266) 6.654 25.087 ( -3.967 -8.925 10.717) 14.500 26.258 ( -1.457 8.135 13.661) 15.966 26.955 ( 0.070 0.304 -0.194) 0.367 27.062 ( 2.970 5.072 -0.711) 5.920 28.773 ( 0.821 -2.868 -1.481) 3.331 29.018 ( -1.195 2.637 0.781) 2.999 29.430 ( -3.844 -0.899 0.361) 3.964 29.547 ( 2.622 -0.696 -2.189) 3.486 29.746 ( 1.578 -1.748 0.606) 2.432 30.198 ( -0.010 4.812 2.708) 5.522 30.588 ( -0.876 -3.035 3.938) 5.049 30.676 ( -0.897 0.271 3.840) 3.953 ======================= Grid point 138 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( -1.117 0.875 7.561) 7.693 5.284 ( 26.006 14.539 25.160) 38.997 6.487 ( -19.170 -0.214 -5.627) 19.980 6.632 ( 4.116 23.484 4.088) 24.190 7.263 ( 15.871 10.081 0.483) 18.808 8.533 ( 2.792 -1.785 2.619) 4.224 8.858 ( 16.577 -7.284 -33.711) 38.266 10.036 ( -22.706 5.841 -8.626) 24.982 10.411 ( 9.125 15.740 -6.104) 19.190 11.016 ( 0.474 21.627 0.832) 21.648 13.158 ( -5.984 -31.681 9.094) 33.500 13.490 ( -16.686 -28.910 22.587) 40.304 15.730 ( -5.087 -0.085 20.699) 21.315 16.107 ( -4.237 10.432 19.976) 22.931 17.267 ( -7.319 -8.306 -9.323) 14.474 18.192 ( -7.913 -2.004 8.939) 12.106 18.263 ( -6.039 -1.699 5.617) 8.421 18.879 ( 3.657 -2.874 3.536) 5.842 19.003 ( 1.444 -3.887 -7.065) 8.192 19.381 ( 13.610 0.041 -0.576) 13.622 20.092 ( 3.465 8.373 -1.153) 9.134 20.349 ( 5.547 -1.700 -14.229) 15.366 20.571 ( 5.309 -0.102 -19.893) 20.590 21.755 ( -1.714 1.882 -3.060) 3.980 22.002 ( 4.743 -1.363 -6.188) 7.915 22.334 ( 1.990 9.320 -11.169) 14.682 22.867 ( 3.927 -1.479 -12.010) 12.722 23.939 ( 0.294 -3.027 -8.836) 9.344 24.243 ( -2.187 -0.093 5.457) 5.880 24.534 ( -0.655 3.354 8.407) 9.075 25.020 ( -5.201 -9.741 13.054) 17.098 26.350 ( -5.007 5.309 6.028) 9.466 26.958 ( 0.133 0.293 -0.094) 0.335 27.173 ( 4.355 4.242 0.991) 6.160 28.759 ( 1.661 -2.815 -0.259) 3.279 29.032 ( -2.042 3.069 2.678) 4.556 29.337 ( -3.670 -2.427 -3.045) 5.351 29.580 ( 2.312 1.510 -1.571) 3.177 29.752 ( 1.464 -1.931 -1.175) 2.694 30.258 ( -0.133 3.574 2.224) 4.212 30.570 ( -1.868 -3.267 3.960) 5.463 30.685 ( -1.694 -0.227 3.305) 3.721 ======================= Grid point 139 (52/116) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( -4.549 -1.902 2.048) 5.339 5.951 ( -4.018 14.844 4.609) 16.054 6.058 ( -4.872 -1.223 5.406) 7.380 6.854 ( 8.604 3.569 -4.134) 10.191 7.622 ( 9.976 10.366 3.521) 14.812 8.602 ( 3.520 -0.598 2.888) 4.592 8.822 ( 3.122 -1.321 -17.133) 17.465 9.706 ( -3.357 -5.030 -1.572) 6.248 10.710 ( 13.113 24.430 -14.337) 31.214 11.204 ( -5.663 22.748 2.936) 23.625 12.716 ( -17.082 -30.197 1.902) 34.746 13.102 ( -12.650 -26.952 11.746) 32.006 15.798 ( -5.012 -2.473 18.039) 18.885 16.128 ( -14.895 0.431 13.280) 19.960 17.324 ( 14.359 1.206 6.263) 15.712 18.048 ( -8.663 -3.472 -3.556) 9.987 18.179 ( -10.681 0.142 8.349) 13.558 18.770 ( -12.825 -4.473 -4.347) 14.261 19.007 ( 8.885 -3.061 0.003) 9.397 19.605 ( 17.476 -0.546 -4.353) 18.018 20.250 ( 4.428 9.358 0.770) 10.382 20.370 ( 7.276 0.226 -5.839) 9.332 20.547 ( 8.628 -0.399 -10.159) 13.334 21.760 ( 1.083 4.095 -1.473) 4.484 22.013 ( 4.759 -2.185 -5.673) 7.720 22.382 ( 3.097 10.437 -9.158) 14.227 22.855 ( 6.227 1.058 -9.986) 11.816 23.814 ( -0.801 -0.395 -16.066) 16.090 24.244 ( -2.760 -1.122 5.743) 6.470 24.593 ( -2.508 1.303 5.178) 5.899 24.974 ( -4.889 -10.579 19.529) 22.742 26.309 ( -7.824 3.047 0.431) 8.407 26.963 ( 0.153 0.230 -0.007) 0.276 27.275 ( 2.848 2.422 0.702) 3.804 28.771 ( 2.484 -2.550 1.123) 3.733 29.057 ( -2.243 3.528 4.192) 5.920 29.226 ( -2.526 -2.390 -5.132) 6.199 29.618 ( 1.630 1.840 -0.800) 2.585 29.734 ( 0.408 -1.584 -2.880) 3.312 30.297 ( -0.764 1.925 2.388) 3.161 30.533 ( -2.416 -2.855 2.793) 4.668 30.673 ( -1.975 -0.879 2.269) 3.134 ======================= Grid point 140 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( -10.551 -3.744 1.556) 11.303 5.395 ( -40.664 4.360 -3.377) 41.037 6.529 ( 15.042 10.798 9.084) 20.624 6.919 ( 5.399 -4.137 -7.493) 10.120 7.726 ( -7.520 -3.855 3.535) 9.161 8.515 ( -20.160 -5.755 -3.585) 21.270 8.682 ( 1.567 0.686 5.297) 5.566 9.949 ( 28.590 -0.451 3.832) 28.849 10.998 ( 6.380 20.021 -11.802) 24.100 11.252 ( -11.070 21.194 -6.424) 24.758 12.302 ( 0.545 -19.664 1.742) 19.748 12.806 ( -6.013 -16.712 5.849) 18.699 15.812 ( -4.695 -6.533 10.886) 13.537 15.955 ( -14.680 -5.147 12.308) 19.836 17.587 ( 11.107 -1.009 -7.709) 13.558 17.890 ( -5.543 -0.318 7.742) 9.527 18.006 ( -10.685 -2.859 -7.566) 13.401 18.491 ( -16.861 -1.806 9.687) 19.530 19.112 ( 6.848 -2.026 -2.482) 7.561 19.841 ( 18.212 0.975 -14.555) 23.334 20.370 ( 0.555 1.271 1.042) 1.735 20.551 ( 12.619 8.465 8.220) 17.276 20.682 ( 12.534 0.781 1.001) 12.599 21.830 ( 2.780 6.240 -1.901) 7.091 22.022 ( 5.093 -3.420 -4.651) 7.698 22.479 ( 4.041 10.761 -5.466) 12.728 22.921 ( 7.958 3.595 -7.108) 11.259 23.635 ( -2.362 1.578 -21.559) 21.745 24.230 ( -2.890 -2.316 5.714) 6.810 24.560 ( -4.519 -0.103 0.285) 4.529 24.988 ( -4.283 -11.816 25.141) 28.108 26.168 ( -10.319 1.519 -3.029) 10.861 26.966 ( 0.094 0.118 0.012) 0.151 27.314 ( 0.066 0.665 -0.651) 0.933 28.811 ( 3.268 -2.029 2.304) 4.483 29.082 ( -2.454 2.403 0.850) 3.538 29.143 ( -0.476 -0.690 -1.667) 1.866 29.652 ( 0.835 1.629 0.058) 1.832 29.689 ( -0.956 -0.911 -3.692) 3.921 30.300 ( -2.940 -0.443 3.076) 4.278 30.495 ( -1.185 -1.440 0.714) 1.997 30.647 ( -1.644 -1.285 1.180) 2.398 ======================= Grid point 141 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( -18.993 -1.823 7.044) 20.339 4.725 ( -47.328 8.148 2.390) 48.084 6.800 ( -7.515 5.629 -0.300) 9.395 6.857 ( 7.129 -6.508 -3.857) 10.395 7.347 ( -29.319 -11.864 7.051) 32.404 8.130 ( -20.291 -7.732 9.040) 23.521 8.779 ( 4.446 0.757 4.266) 6.208 10.451 ( 25.875 1.225 -1.950) 25.977 10.961 ( -12.998 7.295 4.762) 15.648 11.436 ( 19.040 20.981 -18.883) 34.048 12.246 ( 7.805 -19.797 -1.178) 21.312 12.839 ( 10.317 9.652 7.411) 15.953 15.613 ( -9.840 -11.972 -4.540) 16.149 15.831 ( -10.028 -7.679 14.858) 19.501 17.527 ( -0.890 -2.749 -14.040) 14.335 17.715 ( -7.271 -2.307 -8.723) 11.588 17.993 ( 2.405 -0.344 11.759) 12.007 18.365 ( -15.049 0.784 20.340) 25.314 19.144 ( 4.695 -2.609 -6.539) 8.462 19.938 ( 11.919 2.830 -22.800) 25.883 20.384 ( 2.020 -0.172 -2.401) 3.142 20.760 ( 8.983 -3.059 -2.345) 9.775 21.178 ( 19.493 12.812 24.545) 33.861 21.916 ( 2.326 8.302 -5.136) 10.036 22.043 ( 6.149 -4.470 -2.658) 8.053 22.624 ( 4.890 7.757 1.838) 9.352 23.058 ( 8.721 5.811 -3.924) 11.190 23.409 ( -3.336 4.418 -26.321) 26.897 24.202 ( -2.600 -3.771 4.976) 6.764 24.470 ( -5.525 0.043 -0.728) 5.573 25.007 ( -4.566 -14.644 24.348) 28.777 25.965 ( -12.353 1.621 -3.420) 12.920 26.967 ( -0.027 -0.006 -0.048) 0.056 27.284 ( -2.410 -0.308 -1.819) 3.035 28.872 ( 3.476 -1.287 1.995) 4.210 29.035 ( -0.316 -0.294 -4.312) 4.334 29.172 ( -0.332 1.701 4.442) 4.769 29.631 ( -2.069 0.232 -2.907) 3.576 29.677 ( 0.027 1.305 0.932) 1.604 30.242 ( -5.441 -2.310 3.094) 6.672 30.486 ( 0.974 -0.360 -0.618) 1.208 30.620 ( -0.951 -1.114 0.395) 1.517 ======================= Grid point 142 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -24.769 5.243 17.742) 30.915 4.077 ( -49.597 11.624 12.646) 52.487 6.240 ( -55.296 -7.650 5.915) 56.135 6.803 ( 4.015 -9.794 -3.813) 11.251 7.144 ( -5.655 5.071 8.742) 11.581 7.871 ( -16.033 -6.795 16.444) 23.951 8.907 ( 4.836 -0.044 7.222) 8.692 10.704 ( 14.328 2.551 -18.520) 23.554 10.938 ( -1.815 7.285 -1.154) 7.596 11.658 ( 2.389 -4.548 -6.709) 8.449 12.356 ( 29.590 -1.580 -4.711) 30.005 13.311 ( 19.193 17.209 8.302) 27.082 15.282 ( -8.459 -12.661 -7.330) 16.899 15.654 ( -12.166 -10.842 6.564) 17.568 17.354 ( -2.752 -3.116 -5.094) 6.575 17.651 ( 1.252 0.321 1.575) 2.038 18.109 ( 1.262 -0.346 9.659) 9.748 18.322 ( -13.447 1.151 21.698) 25.553 19.120 ( 3.868 -3.282 -8.287) 9.716 19.933 ( 7.752 3.191 -22.199) 23.729 20.392 ( 2.995 0.069 -5.818) 6.544 20.821 ( 8.192 -5.106 -6.218) 11.482 21.733 ( 12.003 10.854 9.217) 18.624 21.962 ( 0.628 7.789 -7.762) 11.014 22.113 ( 7.801 -1.076 0.297) 7.881 22.787 ( 1.092 -3.840 12.291) 12.923 23.129 ( 3.057 4.123 -20.003) 20.651 23.333 ( 8.337 15.299 -6.871) 18.729 24.150 ( -2.678 -5.257 2.213) 6.301 24.393 ( -4.682 1.256 2.668) 5.533 24.950 ( -5.237 -17.650 16.300) 24.590 25.770 ( -12.881 3.562 2.375) 13.573 26.965 ( -0.134 -0.075 -0.134) 0.204 27.210 ( -3.791 -0.285 -2.401) 4.496 28.912 ( 1.931 -0.091 -2.245) 2.963 29.025 ( 2.360 -0.734 -0.729) 2.577 29.211 ( -0.269 -0.034 3.656) 3.666 29.591 ( -2.139 2.042 -0.021) 2.958 29.694 ( -0.710 1.129 1.923) 2.340 30.145 ( -6.065 -2.489 2.532) 7.028 30.502 ( 2.045 -0.628 -0.731) 2.261 30.603 ( -0.315 -0.504 0.051) 0.596 ======================= Grid point 147 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -0.000 0.367 13.253) 13.258 4.745 ( -0.000 17.551 31.476) 36.039 6.644 ( -0.000 26.885 10.763) 28.960 6.807 ( 0.000 -5.294 -6.782) 8.603 6.921 ( -0.000 22.843 -2.544) 22.984 8.474 ( 0.000 -1.868 -3.616) 4.069 8.517 ( 0.000 -12.699 -37.662) 39.745 10.203 ( -0.000 30.709 -23.873) 38.897 10.717 ( -0.000 31.943 -35.288) 47.599 10.821 ( -0.000 -13.629 41.031) 43.235 13.227 ( 0.000 -34.985 19.985) 40.291 13.808 ( 0.000 -28.858 32.586) 43.527 15.824 ( -0.000 -0.493 20.617) 20.623 16.103 ( -0.000 13.001 17.981) 22.189 17.812 ( 0.000 -18.240 -27.073) 32.644 17.961 ( 0.000 -4.700 2.565) 5.354 18.529 ( -0.000 -0.519 3.301) 3.342 18.743 ( -0.000 1.224 14.866) 14.916 18.791 ( 0.000 -5.939 -13.818) 15.041 19.259 ( -0.000 6.712 16.545) 17.855 20.034 ( -0.000 7.004 -5.775) 9.078 20.245 ( 0.000 -3.314 -19.056) 19.342 20.499 ( 0.000 0.648 -16.014) 16.027 21.846 ( 0.000 0.790 -5.945) 5.997 21.867 ( 0.000 -0.942 -3.644) 3.764 22.299 ( -0.000 9.722 -12.712) 16.004 22.800 ( 0.000 -2.278 -12.716) 12.918 23.934 ( 0.000 -2.744 -7.475) 7.962 24.283 ( -0.000 -0.236 5.613) 5.618 24.541 ( -0.000 4.171 9.091) 10.002 25.105 ( 0.000 -11.143 10.076) 15.023 26.449 ( -0.000 6.909 9.259) 11.553 26.956 ( -0.000 0.329 -0.158) 0.365 27.078 ( -0.000 5.279 -0.576) 5.310 28.731 ( 0.000 -2.852 -0.293) 2.867 29.070 ( -0.000 2.909 2.962) 4.151 29.437 ( 0.000 -4.177 -4.899) 6.439 29.508 ( -0.000 2.843 0.244) 2.853 29.717 ( 0.000 -1.648 -0.728) 1.801 30.260 ( -0.000 4.112 1.848) 4.508 30.599 ( 0.000 -3.641 4.383) 5.698 30.718 ( -0.000 -0.041 3.776) 3.776 ======================= Grid point 148 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( -2.873 -0.489 7.724) 8.256 5.286 ( 15.281 15.544 24.489) 32.785 6.635 ( -4.547 -5.588 -5.497) 9.062 6.758 ( -3.629 2.172 -3.806) 5.690 7.301 ( 5.377 33.676 3.975) 34.334 8.290 ( 13.920 -4.413 -21.596) 26.069 8.449 ( 3.672 -0.730 -4.363) 5.749 10.281 ( -6.569 30.187 -35.577) 47.119 10.512 ( -12.884 10.636 -2.174) 16.848 11.125 ( 11.109 5.289 10.417) 16.121 13.049 ( -5.490 -34.729 20.763) 40.833 13.683 ( -12.799 -30.768 26.627) 42.655 15.932 ( -3.223 -3.437 15.608) 16.303 16.425 ( 2.135 13.234 21.962) 25.729 17.226 ( -14.431 -13.712 -17.628) 26.590 18.106 ( 12.003 -4.424 -3.254) 13.199 18.481 ( -6.315 -0.219 3.424) 7.187 18.657 ( 4.068 -5.535 -10.138) 12.246 18.902 ( 3.714 -0.757 5.112) 6.364 19.397 ( -2.951 3.016 7.901) 8.957 20.098 ( 3.796 6.950 -2.518) 8.310 20.126 ( 4.933 -1.005 -8.364) 9.762 20.419 ( 1.388 1.588 -8.849) 9.097 21.781 ( -1.942 2.150 -3.057) 4.212 21.878 ( 3.394 -0.690 -4.211) 5.452 22.301 ( 1.438 10.966 -12.133) 16.417 22.710 ( 2.380 0.322 -10.654) 10.921 23.832 ( -0.273 -0.373 -12.991) 12.999 24.312 ( -1.174 -1.261 5.365) 5.635 24.645 ( -0.751 2.638 7.747) 8.219 25.077 ( -1.483 -11.918 13.654) 18.184 26.518 ( -4.287 4.550 2.702) 6.811 26.958 ( 0.082 0.298 -0.089) 0.322 27.153 ( 3.319 4.283 0.260) 5.424 28.715 ( 0.864 -2.618 1.060) 2.953 29.121 ( -1.254 3.070 4.670) 5.728 29.327 ( -2.802 -3.428 -5.458) 7.028 29.554 ( 1.868 2.899 -0.940) 3.574 29.698 ( 1.130 -1.672 -2.496) 3.210 30.308 ( -0.109 3.116 1.653) 3.529 30.591 ( -0.907 -4.085 3.785) 5.642 30.734 ( -1.233 -0.635 2.859) 3.178 ======================= Grid point 149 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( -4.815 -1.751 3.698) 6.319 5.868 ( 20.903 8.441 12.514) 25.783 6.374 ( -16.278 -4.090 -2.797) 17.016 6.720 ( 2.655 1.598 -5.819) 6.593 7.674 ( 4.388 19.643 2.583) 20.292 8.411 ( 11.657 3.192 -13.294) 17.967 8.598 ( 16.297 2.452 8.072) 18.351 9.850 ( -21.867 -2.714 -15.839) 27.137 10.636 ( 6.099 30.197 -21.670) 37.665 11.466 ( 6.952 17.183 9.798) 20.966 12.674 ( -14.128 -34.731 4.753) 37.795 13.291 ( -21.451 -30.500 21.968) 43.278 15.935 ( -3.315 -7.295 10.705) 13.372 16.532 ( -20.133 0.965 12.886) 23.923 17.062 ( 16.745 -3.834 -4.084) 17.657 18.117 ( -3.025 -1.678 -2.547) 4.296 18.344 ( -8.702 -1.764 -6.420) 10.957 18.737 ( 13.336 -1.681 -0.768) 13.463 18.899 ( -4.517 -1.914 2.266) 5.404 19.415 ( 3.011 1.088 -1.275) 3.446 20.189 ( 8.279 4.117 -0.989) 9.299 20.300 ( 6.883 4.907 6.764) 10.826 20.412 ( 2.359 1.086 -2.255) 3.439 21.781 ( 0.167 4.575 -1.347) 4.772 21.887 ( 3.197 -1.300 -4.166) 5.410 22.353 ( 3.181 12.034 -10.121) 16.043 22.708 ( 4.761 3.305 -7.594) 9.553 23.696 ( -1.273 0.889 -17.002) 17.073 24.313 ( -1.992 -2.312 5.117) 5.958 24.675 ( -2.451 0.586 1.635) 3.004 25.083 ( -1.632 -11.711 20.251) 23.450 26.454 ( -7.084 2.378 -2.617) 7.918 26.962 ( 0.137 0.217 -0.022) 0.258 27.246 ( 3.529 2.358 -0.114) 4.246 28.728 ( 1.719 -2.177 2.447) 3.699 29.166 ( -1.626 2.483 5.018) 5.830 29.201 ( -3.448 -2.012 -5.248) 6.594 29.603 ( 1.940 2.851 -1.229) 3.661 29.677 ( 1.287 -1.354 -3.783) 4.219 30.343 ( -0.404 2.019 1.947) 2.833 30.555 ( -1.698 -4.210 2.238) 5.061 30.715 ( -2.144 -1.300 1.615) 2.982 ======================= Grid point 150 (59/116) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -6.605 -1.811 3.278) 7.593 5.971 ( -23.571 1.308 -2.070) 23.698 6.343 ( 18.107 -2.285 5.200) 18.977 6.768 ( 4.799 5.266 -4.433) 8.391 7.820 ( -2.414 3.176 1.204) 4.167 8.466 ( 4.170 1.867 -9.778) 10.793 8.923 ( -6.660 2.422 13.433) 15.188 9.575 ( 14.180 -4.080 0.808) 14.777 10.829 ( 10.107 29.217 -30.079) 43.133 11.751 ( -12.005 20.894 5.659) 24.752 12.139 ( -6.214 -28.236 1.520) 28.951 12.891 ( -14.151 -23.169 18.486) 32.845 15.853 ( -4.515 -11.754 3.333) 13.025 16.264 ( -17.363 -7.015 10.374) 21.408 17.265 ( 14.784 -3.360 -9.393) 17.835 18.004 ( -8.229 -2.716 -6.308) 10.718 18.083 ( -7.698 -0.951 -5.158) 9.314 18.781 ( -5.395 -0.261 2.857) 6.110 18.948 ( 3.657 0.853 4.217) 5.647 19.538 ( 11.607 2.861 -5.127) 13.008 20.320 ( 3.781 -0.666 -3.454) 5.164 20.503 ( 6.984 1.360 4.445) 8.389 20.610 ( 12.284 9.848 19.160) 24.799 21.839 ( 1.624 6.291 -1.208) 6.609 21.891 ( 3.400 -1.360 -4.275) 5.629 22.461 ( 4.710 11.781 -6.442) 14.230 22.799 ( 6.726 6.255 -3.790) 9.936 23.518 ( -2.766 1.758 -20.288) 20.551 24.289 ( -2.529 -3.524 4.539) 6.278 24.620 ( -3.539 -0.645 -1.673) 3.967 25.123 ( -2.493 -12.376 22.313) 25.637 26.303 ( -8.470 0.770 -5.564) 10.163 26.966 ( 0.113 0.092 -0.002) 0.146 27.298 ( 1.608 0.540 -1.171) 2.061 28.771 ( 2.484 -1.563 3.480) 4.552 29.084 ( -2.344 -1.624 -5.865) 6.522 29.210 ( -2.030 2.472 5.750) 6.579 29.642 ( 1.604 1.777 -4.241) 4.870 29.658 ( 0.723 0.362 -0.641) 1.031 30.360 ( -1.608 0.282 2.701) 3.156 30.499 ( -1.579 -3.390 -0.033) 3.740 30.672 ( -2.210 -1.721 0.560) 2.857 ======================= Grid point 151 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -8.967 0.809 5.583) 10.594 5.536 ( -36.374 8.179 6.005) 37.763 6.506 ( 14.933 -17.464 -7.829) 24.275 6.924 ( 3.583 12.828 1.078) 13.363 7.672 ( -15.097 -5.784 1.656) 16.251 8.358 ( -10.087 -4.660 -2.194) 11.326 8.811 ( -5.009 -1.999 6.648) 8.560 10.049 ( 25.330 1.214 7.932) 26.570 11.045 ( 14.283 21.382 -20.609) 32.954 11.488 ( -18.361 10.761 -7.636) 22.610 12.025 ( -2.454 -25.078 14.009) 28.830 12.862 ( 6.735 7.938 9.562) 14.135 15.589 ( -9.243 -15.216 -6.582) 18.981 16.040 ( -12.412 -10.688 11.365) 19.936 17.313 ( 7.815 -3.794 -13.429) 15.994 17.705 ( -7.041 -5.525 -10.056) 13.462 18.067 ( -0.639 1.504 5.692) 5.922 18.730 ( -8.449 1.757 10.206) 13.366 18.990 ( 1.659 -0.494 -3.025) 3.485 19.690 ( 8.356 5.029 -8.231) 12.762 20.313 ( 1.872 -1.706 -4.159) 4.870 20.613 ( 5.003 -2.162 0.245) 5.455 21.205 ( 18.518 13.274 26.396) 34.869 21.903 ( 4.228 -2.869 -1.093) 5.225 21.919 ( 1.793 9.167 -6.056) 11.132 22.620 ( 6.042 8.876 0.731) 10.762 22.972 ( 7.514 7.519 0.003) 10.630 23.301 ( -3.861 4.212 -23.434) 24.120 24.239 ( -2.830 -4.754 3.082) 6.333 24.539 ( -3.733 -0.320 -1.398) 3.999 25.113 ( -4.523 -14.865 17.787) 23.618 26.121 ( -8.626 0.428 -4.259) 9.630 26.967 ( 0.012 -0.039 -0.043) 0.059 27.291 ( -0.744 -0.464 -1.788) 1.992 28.832 ( 2.675 -0.825 3.043) 4.134 29.001 ( -0.935 -0.648 -4.370) 4.516 29.240 ( -1.520 0.797 4.145) 4.486 29.629 ( 0.166 1.329 -2.881) 3.177 29.691 ( 0.826 2.051 0.261) 2.226 30.326 ( -4.372 -2.608 2.959) 5.889 30.458 ( 0.405 -1.277 -1.569) 2.063 30.629 ( -1.377 -1.493 0.058) 2.032 ======================= Grid point 152 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -11.293 5.337 8.527) 15.124 5.060 ( -42.377 10.340 15.348) 46.242 6.476 ( 13.079 -17.122 -9.989) 23.749 6.925 ( -24.626 7.819 -1.906) 25.908 7.387 ( -11.558 1.159 7.440) 13.794 8.139 ( -10.247 -8.221 9.627) 16.287 8.870 ( 6.004 -2.585 7.003) 9.580 10.357 ( 12.402 4.073 -12.942) 18.382 11.152 ( -11.018 3.786 5.273) 12.788 11.497 ( 6.244 10.679 -15.919) 20.161 11.913 ( 15.899 -16.832 9.580) 25.058 13.267 ( 14.837 19.598 5.096) 25.103 15.234 ( -8.472 -14.632 -5.138) 17.672 15.796 ( -12.623 -13.047 5.367) 18.931 17.274 ( 3.920 -2.374 -6.628) 8.059 17.564 ( 2.149 -6.716 -2.745) 7.567 18.143 ( 2.275 0.963 5.372) 5.913 18.705 ( -9.593 2.836 13.444) 16.758 18.968 ( 1.197 -1.041 -4.999) 5.244 19.766 ( 3.709 5.772 -8.566) 10.975 20.287 ( 2.116 -1.917 -5.757) 6.426 20.644 ( 4.010 -3.559 -2.869) 6.081 21.718 ( 8.465 9.271 4.548) 13.353 21.958 ( 0.268 9.149 -10.176) 13.686 22.003 ( 9.240 1.905 6.487) 11.449 22.831 ( 4.110 -1.901 14.876) 15.550 22.981 ( -2.166 1.869 -19.758) 19.964 23.301 ( 9.555 17.235 -3.003) 19.934 24.160 ( -3.026 -5.375 0.970) 6.244 24.482 ( -2.940 0.258 1.484) 3.303 24.979 ( -6.520 -16.641 7.287) 19.301 25.985 ( -7.457 0.908 2.726) 7.991 26.965 ( -0.096 -0.103 -0.100) 0.173 27.243 ( -2.609 -0.374 -1.686) 3.129 28.874 ( 1.197 0.335 -1.067) 1.638 28.979 ( 1.574 -0.641 -0.490) 1.768 29.243 ( -1.011 -1.093 2.233) 2.684 29.633 ( -0.422 2.247 0.047) 2.287 29.725 ( 0.433 2.317 0.866) 2.511 30.235 ( -5.398 -3.085 2.035) 6.542 30.454 ( 1.644 -1.196 -0.921) 2.232 30.604 ( -0.414 -0.720 0.084) 0.835 ======================= Grid point 158 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( 0.000 -2.823 3.970) 4.871 5.470 ( -0.000 9.132 15.518) 18.006 6.481 ( 0.000 -9.569 -8.071) 12.518 6.823 ( -0.000 2.208 0.596) 2.287 7.604 ( -0.000 28.823 1.056) 28.842 8.051 ( -0.000 3.314 -2.717) 4.285 8.379 ( 0.000 2.756 -5.364) 6.030 10.268 ( 0.000 21.111 -41.377) 46.451 10.811 ( -0.000 35.662 -29.554) 46.317 11.054 ( -0.000 -13.102 36.428) 38.713 12.951 ( 0.000 -36.868 17.745) 40.916 13.705 ( 0.000 -31.805 20.619) 37.904 16.015 ( 0.000 -7.148 8.164) 10.851 16.642 ( -0.000 6.883 11.094) 13.056 17.161 ( 0.000 -8.071 -4.050) 9.030 17.871 ( 0.000 -1.182 -5.656) 5.779 18.506 ( 0.000 0.025 -3.133) 3.133 18.616 ( -0.000 -1.444 4.534) 4.758 18.869 ( 0.000 -2.350 -4.024) 4.660 19.485 ( 0.000 -0.972 -1.291) 1.616 20.066 ( -0.000 2.499 6.063) 6.558 20.108 ( -0.000 4.888 0.504) 4.914 20.391 ( -0.000 3.687 -1.873) 4.135 21.783 ( 0.000 2.476 -4.940) 5.526 21.834 ( -0.000 0.437 0.253) 0.504 22.298 ( -0.000 12.645 -11.887) 17.354 22.627 ( 0.000 3.207 -7.784) 8.419 23.716 ( 0.000 0.706 -15.581) 15.597 24.348 ( -0.000 -2.310 4.916) 5.431 24.716 ( -0.000 0.886 2.269) 2.436 25.107 ( 0.000 -11.529 18.384) 21.700 26.588 ( -0.000 2.196 -2.994) 3.713 26.960 ( -0.000 0.249 -0.046) 0.253 27.163 ( -0.000 3.325 0.513) 3.364 28.700 ( 0.000 -2.183 2.467) 3.295 29.196 ( -0.000 1.321 3.678) 3.908 29.279 ( 0.000 -1.632 -3.542) 3.900 29.558 ( -0.000 3.448 -1.885) 3.930 29.646 ( 0.000 -1.438 -3.615) 3.891 30.348 ( -0.000 2.494 1.576) 2.950 30.584 ( 0.000 -4.760 2.692) 5.469 30.755 ( 0.000 -1.290 1.715) 2.146 ======================= Grid point 159 (63/116) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( -2.040 -4.557 0.187) 4.996 5.619 ( 13.150 -11.337 -4.575) 17.955 6.444 ( 0.706 4.084 3.866) 5.668 6.785 ( -6.401 2.252 0.305) 6.792 7.821 ( 0.463 14.272 -0.244) 14.282 8.261 ( 7.189 10.183 6.202) 13.923 8.467 ( 11.894 5.557 6.650) 14.716 9.929 ( -11.816 -0.434 -33.205) 35.248 10.783 ( -8.853 31.812 -17.960) 37.589 11.509 ( 16.194 14.399 18.149) 28.266 12.575 ( -11.087 -38.844 -0.410) 40.397 13.444 ( -11.276 -31.425 13.959) 36.188 15.954 ( -1.966 -10.950 3.662) 11.713 16.672 ( 5.053 -13.575 -11.441) 18.458 17.076 ( -17.242 10.632 21.803) 29.761 17.977 ( 12.444 0.962 -6.587) 14.112 18.393 ( -9.110 -1.466 -8.391) 12.472 18.690 ( 0.975 2.237 9.184) 9.502 18.846 ( 7.936 -1.642 -2.659) 8.529 19.394 ( -1.751 -3.096 -6.712) 7.596 20.160 ( 1.982 3.565 4.681) 6.209 20.272 ( 6.377 2.911 11.046) 13.083 20.455 ( 0.787 6.290 6.162) 8.840 21.787 ( 1.617 4.184 -4.575) 6.407 21.847 ( -0.382 0.627 1.811) 1.954 22.345 ( 1.962 13.840 -9.999) 17.186 22.642 ( 2.583 6.247 -4.210) 7.963 23.578 ( -0.897 0.955 -17.511) 17.560 24.352 ( -1.084 -3.310 4.504) 5.694 24.698 ( -1.195 -1.478 -2.607) 3.226 25.173 ( -0.691 -10.272 21.873) 24.175 26.513 ( -3.893 -0.154 -8.345) 9.209 26.962 ( 0.076 0.165 0.010) 0.182 27.214 ( 2.369 1.441 0.401) 2.802 28.716 ( 0.849 -1.594 3.780) 4.190 29.157 ( -1.521 -2.554 -4.804) 5.649 29.291 ( -2.234 2.877 5.646) 6.719 29.571 ( 2.022 1.808 -5.869) 6.466 29.625 ( 0.885 0.450 -1.022) 1.425 30.382 ( -0.173 1.907 1.741) 2.588 30.545 ( -0.843 -5.260 0.967) 5.415 30.738 ( -1.284 -1.907 0.445) 2.341 ======================= Grid point 160 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( -1.562 -4.846 -0.918) 5.174 5.672 ( 22.600 -20.780 -12.514) 33.154 6.500 ( -11.808 5.057 8.708) 15.519 6.762 ( 1.841 8.003 -0.605) 8.234 7.859 ( -1.525 -3.429 -1.416) 4.011 8.384 ( 2.188 5.079 -3.409) 6.496 9.044 ( 18.212 11.105 28.014) 35.211 9.460 ( -9.989 -3.593 -18.514) 21.342 10.823 ( -2.835 31.709 -21.842) 38.608 11.954 ( -9.354 -35.238 -7.681) 37.259 12.053 ( 7.267 25.620 8.261) 27.882 13.040 ( -14.298 -28.569 11.221) 33.861 15.808 ( -3.925 -14.342 -0.336) 14.873 16.435 ( -6.509 -15.570 -2.442) 17.051 17.121 ( -4.955 6.523 7.753) 11.279 18.020 ( -5.739 -2.711 -12.260) 13.806 18.113 ( -4.161 0.689 -6.600) 7.832 18.757 ( 2.040 1.578 -0.860) 2.718 19.054 ( 2.391 1.398 10.562) 10.919 19.357 ( 9.155 0.218 -4.079) 10.025 20.238 ( 2.460 -0.583 0.432) 2.565 20.479 ( 3.656 2.272 8.771) 9.771 20.714 ( 9.107 11.152 21.047) 25.500 21.816 ( 1.948 2.342 -4.137) 5.138 21.877 ( 0.071 4.524 1.299) 4.707 22.454 ( 3.791 13.500 -6.036) 15.266 22.757 ( 5.028 8.817 -0.490) 10.161 23.408 ( -2.236 0.990 -18.956) 19.113 24.324 ( -2.135 -4.403 3.647) 6.103 24.626 ( -1.593 -2.056 -3.966) 4.743 25.232 ( -2.583 -11.062 20.416) 23.364 26.342 ( -4.989 -1.922 -11.008) 12.238 26.965 ( 0.089 0.047 0.038) 0.107 27.259 ( 2.180 -0.389 -0.292) 2.234 28.760 ( 1.577 -0.932 4.615) 4.965 29.063 ( -2.353 -1.228 -4.717) 5.412 29.312 ( -2.838 1.265 4.088) 5.135 29.574 ( 2.927 1.426 -5.452) 6.350 29.655 ( 1.192 1.885 0.203) 2.240 30.405 ( -0.814 0.711 2.343) 2.580 30.477 ( -1.165 -4.893 -1.261) 5.185 30.690 ( -1.974 -2.187 -0.432) 2.977 ======================= Grid point 161 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -0.213 -3.089 -0.515) 3.139 5.767 ( 22.565 -16.869 -11.420) 30.400 6.293 ( -22.423 -2.204 7.813) 23.847 6.937 ( 7.685 8.718 0.464) 11.631 7.724 ( -1.646 -12.331 -2.283) 12.648 8.386 ( -2.286 -1.179 -4.179) 4.907 8.980 ( -14.479 -2.020 -6.247) 15.898 9.841 ( 20.299 7.454 23.688) 32.074 10.950 ( 4.661 30.581 -16.679) 35.144 11.527 ( -0.171 -17.547 -6.953) 18.876 12.186 ( -19.137 -5.755 3.041) 20.214 12.891 ( 7.823 6.113 7.818) 12.637 15.535 ( -8.475 -16.255 -4.412) 18.856 16.168 ( -8.577 -16.186 2.728) 18.520 17.143 ( -0.941 2.999 -1.069) 3.320 17.698 ( -9.056 -5.601 -9.801) 14.472 18.116 ( -0.039 3.347 -0.295) 3.360 18.795 ( 1.506 1.849 -0.794) 2.514 19.049 ( -2.874 -2.887 0.820) 4.155 19.569 ( 9.141 5.488 1.104) 10.719 20.249 ( 0.568 -1.860 -0.119) 1.948 20.573 ( 0.537 0.431 3.417) 3.486 21.265 ( 16.257 13.582 24.828) 32.637 21.833 ( 1.898 0.221 -0.605) 2.005 21.939 ( 0.537 8.447 -4.154) 9.428 22.625 ( 5.532 11.287 1.299) 12.637 22.949 ( 6.029 7.791 3.335) 10.401 23.211 ( -3.004 3.544 -20.323) 20.848 24.259 ( -2.978 -5.288 1.731) 6.311 24.554 ( -1.286 -1.521 -2.773) 3.414 25.192 ( -6.080 -13.535 12.592) 19.461 26.162 ( -3.583 -2.536 -8.029) 9.151 26.966 ( 0.022 -0.072 0.024) 0.079 27.271 ( 0.821 -1.381 -0.524) 1.690 28.821 ( 1.743 -0.256 3.963) 4.336 28.987 ( -1.810 0.041 -3.278) 3.745 29.293 ( -2.064 -0.794 0.867) 2.376 29.605 ( 2.257 2.336 -1.840) 3.733 29.694 ( 1.227 2.083 -0.003) 2.418 30.372 ( -2.690 -5.478 1.176) 6.215 30.432 ( -0.171 0.609 -1.278) 1.426 30.636 ( -1.541 -1.782 -0.531) 2.414 ======================= Grid point 162 (66/116) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( 0.137 0.238 0.000) 0.275 5.882 ( 1.637 2.836 -0.000) 3.275 5.887 ( -12.106 -20.968 0.000) 24.212 7.141 ( 4.465 7.733 0.000) 8.929 7.569 ( -4.270 -7.396 0.000) 8.540 8.216 ( -5.463 -9.461 0.000) 10.925 8.818 ( -0.700 -1.212 0.000) 1.399 10.214 ( 4.631 8.022 0.000) 9.263 11.249 ( 6.403 11.090 0.000) 12.806 11.550 ( 8.140 14.100 0.000) 16.281 11.670 ( -15.078 -26.116 -0.000) 30.156 13.264 ( 11.907 20.624 0.000) 23.814 15.211 ( -8.724 -15.111 0.000) 17.449 15.874 ( -9.487 -16.432 0.000) 18.974 17.158 ( 1.358 2.353 0.000) 2.717 17.502 ( -3.600 -6.235 0.000) 7.200 18.151 ( 1.231 2.131 0.000) 2.461 18.829 ( 1.004 1.740 -0.000) 2.009 18.985 ( -1.599 -2.770 0.000) 3.199 19.729 ( 3.495 6.054 0.000) 6.990 20.227 ( -0.976 -1.690 0.000) 1.951 20.581 ( -0.482 -0.836 0.000) 0.965 21.711 ( 5.155 8.929 0.000) 10.311 21.958 ( 5.140 8.904 0.000) 10.281 21.962 ( 3.218 5.573 -0.000) 6.435 22.863 ( 5.871 10.170 -0.000) 11.743 22.912 ( -5.616 -9.727 0.000) 11.232 23.292 ( 10.211 17.685 -0.000) 20.421 24.163 ( -3.116 -5.398 0.000) 6.233 24.514 ( -0.649 -1.124 0.000) 1.297 24.983 ( -8.712 -15.090 0.000) 17.424 26.063 ( -1.476 -2.557 0.000) 2.953 26.965 ( -0.070 -0.122 0.000) 0.141 27.256 ( -0.705 -1.221 0.000) 1.410 28.861 ( 0.457 0.792 0.000) 0.914 28.961 ( 0.076 0.132 -0.000) 0.152 29.256 ( -1.013 -1.755 -0.000) 2.027 29.647 ( 1.036 1.794 0.000) 2.071 29.737 ( 1.447 2.507 0.000) 2.894 30.279 ( -2.790 -4.833 0.000) 5.581 30.425 ( -0.163 -0.282 0.000) 0.326 30.605 ( -0.462 -0.799 0.000) 0.923 ======================= Grid point 170 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 0.000 -7.566 -4.650) 8.881 5.222 ( 0.000 -25.858 -15.670) 30.236 6.565 ( -0.000 11.293 6.259) 12.911 6.859 ( -0.000 -0.645 1.483) 1.617 7.889 ( 0.000 -0.567 -0.835) 1.009 8.396 ( -0.000 4.466 -2.667) 5.201 8.549 ( -0.000 18.470 34.181) 38.852 9.704 ( 0.000 -0.816 -35.832) 35.841 11.056 ( -0.000 35.299 -20.752) 40.947 11.679 ( -0.000 14.151 26.920) 30.413 12.227 ( 0.000 -38.609 -15.498) 41.603 13.298 ( 0.000 -29.798 2.046) 29.869 15.868 ( 0.000 -13.521 1.108) 13.567 16.436 ( 0.000 -14.002 -4.714) 14.775 17.627 ( -0.000 12.455 22.951) 26.113 17.742 ( 0.000 1.720 -9.855) 10.004 18.455 ( 0.000 0.095 -5.155) 5.156 18.609 ( 0.000 -2.915 -9.739) 10.166 18.845 ( -0.000 4.274 15.524) 16.101 19.269 ( 0.000 -6.458 -12.689) 14.238 20.203 ( -0.000 1.100 3.727) 3.886 20.396 ( -0.000 5.133 17.361) 18.104 20.592 ( -0.000 8.472 12.469) 15.075 21.777 ( -0.000 5.047 -4.348) 6.662 21.889 ( -0.000 1.518 4.086) 4.359 22.390 ( -0.000 15.497 -8.203) 17.534 22.671 ( -0.000 8.756 -0.882) 8.800 23.444 ( 0.000 0.368 -17.670) 17.674 24.362 ( 0.000 -4.183 4.118) 5.870 24.650 ( 0.000 -2.965 -5.208) 5.993 25.275 ( -0.000 -9.286 21.848) 23.739 26.430 ( 0.000 -2.943 -14.772) 15.062 26.963 ( -0.000 0.090 0.062) 0.109 27.209 ( -0.000 -0.177 1.276) 1.288 28.734 ( -0.000 -0.961 4.935) 5.028 29.111 ( 0.000 -1.806 -4.046) 4.431 29.390 ( -0.000 2.642 6.205) 6.744 29.491 ( 0.000 0.237 -8.965) 8.968 29.630 ( -0.000 2.049 0.107) 2.051 30.415 ( -0.000 1.753 1.683) 2.430 30.500 ( 0.000 -6.016 -0.762) 6.064 30.727 ( 0.000 -2.394 -0.657) 2.483 ======================= Grid point 171 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.025 ( 1.554 -9.345 -7.089) 11.832 4.952 ( 17.747 -30.149 -17.250) 39.006 6.709 ( -1.402 6.891 4.017) 8.099 6.832 ( -1.994 1.505 1.592) 2.962 7.758 ( -1.659 -20.758 -2.820) 21.015 8.407 ( -0.808 3.663 -1.713) 4.124 9.199 ( 12.843 19.205 42.026) 47.958 9.382 ( -5.181 2.111 -28.709) 29.249 11.122 ( -10.589 32.719 -12.844) 36.710 11.592 ( -2.247 -38.341 -17.994) 42.413 12.232 ( 9.805 28.209 11.403) 31.968 12.971 ( -6.315 -26.144 -2.722) 27.033 15.722 ( -2.781 -15.296 0.924) 15.574 16.276 ( 0.179 -16.324 -2.029) 16.451 17.486 ( -15.899 5.822 1.940) 17.043 17.910 ( 4.016 0.174 -11.999) 12.655 18.231 ( -12.457 1.951 -0.116) 12.610 18.718 ( 4.817 1.850 2.819) 5.880 19.049 ( 2.498 -2.829 -0.377) 3.793 19.172 ( 11.135 1.579 2.933) 11.622 20.243 ( -0.149 0.027 4.406) 4.409 20.578 ( -0.408 4.287 12.524) 13.243 20.866 ( 6.559 11.303 20.530) 24.336 21.798 ( 0.615 5.406 -4.208) 6.878 21.943 ( -0.559 3.087 4.591) 5.561 22.501 ( 1.931 15.826 -4.083) 16.458 22.790 ( 2.827 10.416 2.014) 10.979 23.286 ( -1.182 -0.386 -17.314) 17.358 24.339 ( -1.534 -5.084 3.294) 6.249 24.570 ( 0.042 -2.995 -6.078) 6.776 25.343 ( -2.637 -10.166 18.998) 21.708 26.235 ( -1.035 -5.050 -18.310) 19.022 26.964 ( 0.040 -0.009 0.094) 0.103 27.223 ( 1.296 -1.789 1.321) 2.574 28.779 ( 0.698 -0.366 5.563) 5.618 29.056 ( -1.618 -0.462 -3.084) 3.513 29.377 ( -2.936 -0.015 -3.492) 4.563 29.502 ( 3.490 1.971 -0.412) 4.029 29.658 ( 0.779 1.952 0.149) 2.107 30.421 ( -0.640 -7.282 -1.052) 7.386 30.443 ( -0.241 2.366 0.319) 2.400 30.686 ( -1.051 -2.467 -1.212) 2.942 ======================= Grid point 172 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 5.697 -9.513 -8.383) 13.901 4.946 ( 31.259 -29.697 -15.084) 45.679 6.664 ( -9.664 -0.873 6.167) 11.497 6.878 ( 1.592 -0.325 -0.793) 1.808 7.486 ( 3.637 -25.221 -4.399) 25.859 8.359 ( -2.311 -4.331 -6.885) 8.456 9.063 ( -8.524 1.784 -19.077) 20.971 9.942 ( 11.637 15.038 36.584) 41.230 11.184 ( 2.996 0.531 -3.861) 4.916 11.206 ( -3.305 9.790 -10.750) 14.911 12.411 ( -17.488 -5.810 -9.299) 20.642 12.869 ( 12.217 15.855 5.673) 20.804 15.496 ( -7.248 -16.014 0.696) 17.591 16.075 ( -2.884 -18.042 -3.027) 18.520 17.331 ( -10.223 4.154 1.362) 11.119 17.724 ( -7.126 -2.995 -8.618) 11.577 18.163 ( -2.978 4.050 -0.849) 5.098 18.759 ( 2.349 -2.467 -4.935) 5.997 18.972 ( 0.607 -3.334 -2.812) 4.403 19.520 ( 10.114 6.644 10.799) 16.219 20.271 ( -1.232 -0.074 4.960) 5.111 20.658 ( -3.503 2.798 6.582) 7.964 21.343 ( 13.362 13.592 20.278) 27.830 21.826 ( 0.768 4.131 -1.493) 4.459 21.997 ( -1.318 6.140 0.449) 6.296 22.687 ( 3.892 14.616 2.904) 15.401 22.973 ( 3.502 5.535 5.399) 8.488 23.121 ( -0.741 3.830 -16.296) 16.756 24.267 ( -3.053 -5.600 0.785) 6.426 24.507 ( 0.985 -2.522 -4.317) 5.095 25.272 ( -8.129 -12.549 7.914) 16.917 26.046 ( 2.096 -5.815 -13.046) 14.436 26.965 ( 0.017 -0.102 0.100) 0.144 27.235 ( 1.400 -2.641 1.292) 3.256 28.836 ( 0.811 0.198 4.721) 4.794 29.004 ( -2.168 0.912 -1.883) 3.013 29.300 ( -1.550 -1.034 -4.205) 4.600 29.575 ( 2.934 1.769 0.516) 3.465 29.691 ( 1.187 1.668 -0.217) 2.059 30.325 ( -0.644 -7.031 -2.546) 7.506 30.459 ( -0.977 1.642 0.856) 2.094 30.635 ( -1.223 -1.865 -0.932) 2.417 ======================= Grid point 181 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 0.000 -14.045 -10.896) 17.775 4.320 ( 0.000 -35.891 -19.582) 40.886 6.791 ( 0.000 -11.751 -0.842) 11.781 6.828 ( -0.000 9.014 1.499) 9.137 7.479 ( 0.000 -33.297 -3.563) 33.487 8.399 ( 0.000 -2.109 -6.484) 6.818 9.203 ( 0.000 2.855 -27.936) 28.082 9.698 ( -0.000 22.505 48.835) 53.771 11.089 ( 0.000 -28.886 -20.144) 35.216 11.437 ( -0.000 30.524 -8.289) 31.629 12.522 ( -0.000 30.051 11.877) 32.312 12.767 ( 0.000 -17.087 -7.831) 18.796 15.621 ( 0.000 -15.580 3.228) 15.911 16.111 ( 0.000 -16.812 -1.059) 16.845 17.630 ( 0.000 3.021 -8.254) 8.790 17.726 ( 0.000 -3.001 -14.971) 15.269 18.323 ( 0.000 -0.728 -9.528) 9.556 18.719 ( 0.000 -6.030 -9.471) 11.227 19.101 ( -0.000 10.073 25.587) 27.499 19.128 ( -0.000 2.298 8.340) 8.651 20.293 ( -0.000 0.438 5.668) 5.685 20.743 ( -0.000 4.968 11.790) 12.794 21.080 ( -0.000 11.904 19.288) 22.665 21.817 ( -0.000 7.138 -4.913) 8.665 22.027 ( -0.000 2.545 7.414) 7.839 22.623 ( -0.000 17.772 -0.795) 17.790 22.895 ( -0.000 11.296 3.878) 11.943 23.147 ( 0.000 -2.421 -14.640) 14.838 24.331 ( 0.000 -5.796 3.392) 6.715 24.477 ( 0.000 -2.922 -8.032) 8.547 25.430 ( -0.000 -10.535 17.702) 20.600 25.989 ( 0.000 -7.746 -25.034) 26.205 26.965 ( -0.000 -0.076 0.126) 0.147 27.205 ( 0.000 -3.046 2.232) 3.777 28.822 ( -0.000 0.098 6.083) 6.083 29.050 ( 0.000 0.436 -1.674) 1.730 29.336 ( 0.000 0.736 -9.732) 9.759 29.510 ( -0.000 0.432 3.889) 3.912 29.669 ( -0.000 1.564 -0.028) 1.565 30.336 ( 0.000 -7.389 -3.273) 8.081 30.474 ( -0.000 2.054 1.004) 2.286 30.660 ( 0.000 -2.311 -1.378) 2.690 ======================= Grid point 182 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 5.394 -18.676 -15.019) 24.566 4.020 ( 24.920 -37.076 -16.368) 47.577 6.551 ( 1.779 -33.299 -5.201) 33.750 6.929 ( -1.004 2.705 1.243) 3.141 7.159 ( 1.549 -20.619 -3.881) 21.038 8.204 ( -1.398 -14.452 -18.796) 23.751 9.006 ( -2.288 3.042 -17.075) 17.494 10.325 ( 2.660 18.318 40.628) 44.646 10.837 ( 6.330 -8.533 -7.445) 12.973 11.588 ( -6.709 22.182 1.646) 23.232 12.516 ( -10.589 -0.955 -8.211) 13.434 12.954 ( 7.717 28.559 3.901) 29.839 15.470 ( -4.520 -15.207 4.320) 16.442 15.915 ( -1.924 -17.438 -4.528) 18.119 17.459 ( -7.094 -1.940 -5.863) 9.406 17.668 ( 2.956 -0.106 -8.694) 9.183 18.206 ( -2.450 0.113 -8.675) 9.015 18.513 ( 3.143 -10.343 -20.022) 22.754 19.118 ( -7.019 2.783 10.291) 12.764 19.592 ( 6.674 11.061 26.935) 29.873 20.343 ( -0.739 1.162 5.905) 6.064 20.832 ( -5.099 4.798 8.249) 10.819 21.430 ( 9.106 13.703 14.121) 21.682 21.848 ( 0.545 6.613 -3.360) 7.437 22.101 ( -2.019 3.835 5.779) 7.224 22.820 ( 1.717 20.370 -0.869) 20.461 22.989 ( -1.627 -8.534 0.763) 8.721 23.078 ( 3.809 12.620 0.088) 13.182 24.268 ( -3.089 -5.806 0.284) 6.582 24.407 ( 2.529 -2.904 -5.982) 7.115 25.350 ( -10.460 -12.343 2.089) 16.314 25.769 ( 7.938 -8.963 -16.064) 20.035 26.965 ( 0.013 -0.137 0.131) 0.190 27.202 ( 0.966 -3.641 2.432) 4.483 28.876 ( 0.041 0.586 5.360) 5.392 29.036 ( -1.435 1.515 -0.749) 2.217 29.262 ( -0.515 0.475 -7.360) 7.393 29.551 ( 1.983 -0.482 1.579) 2.580 29.684 ( 0.698 0.901 -0.653) 1.314 30.234 ( -0.036 -7.408 -3.672) 8.268 30.496 ( -0.560 1.948 0.782) 2.173 30.625 ( -0.575 -1.608 -0.850) 1.907 ======================= Grid point 192 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 0.000 -28.909 -15.372) 32.742 3.238 ( 0.000 -43.644 -18.936) 47.575 5.949 ( 0.000 -67.098 -15.154) 68.788 6.965 ( -0.000 4.934 -0.545) 4.964 6.985 ( 0.000 -9.827 -5.726) 11.373 7.854 ( 0.000 -19.499 -22.555) 29.815 8.947 ( 0.000 3.813 -8.635) 9.439 10.752 ( -0.000 5.651 1.817) 5.936 10.800 ( -0.000 15.484 32.616) 36.105 11.785 ( -0.000 3.835 3.424) 5.141 12.669 ( -0.000 22.148 1.291) 22.185 13.193 ( -0.000 29.878 -0.613) 29.884 15.413 ( 0.000 -13.937 5.295) 14.908 15.720 ( 0.000 -16.762 -7.749) 18.467 17.417 ( 0.000 -8.084 -6.120) 10.139 17.579 ( 0.000 2.411 -4.114) 4.768 18.129 ( 0.000 -1.505 -9.755) 9.870 18.206 ( 0.000 -10.081 -22.475) 24.633 19.216 ( -0.000 -0.877 1.639) 1.859 19.967 ( -0.000 13.032 34.612) 36.984 20.409 ( -0.000 1.873 4.999) 5.338 21.025 ( -0.000 7.754 11.201) 13.623 21.569 ( -0.000 15.044 5.644) 16.068 21.876 ( -0.000 6.287 -2.640) 6.819 22.212 ( -0.000 2.904 7.311) 7.867 22.850 ( 0.000 6.496 -19.893) 20.926 23.072 ( -0.000 5.429 22.907) 23.541 23.195 ( -0.000 11.068 5.968) 12.575 24.261 ( 0.000 -7.077 2.900) 7.648 24.279 ( 0.000 -1.723 -10.094) 10.240 25.318 ( 0.000 -11.121 -32.501) 34.351 25.456 ( 0.000 -12.970 11.392) 17.263 26.964 ( 0.000 -0.169 0.116) 0.205 27.178 ( 0.000 -4.022 2.504) 4.738 28.932 ( -0.000 1.108 5.366) 5.479 29.060 ( -0.000 1.968 -0.415) 2.011 29.215 ( 0.000 1.561 -6.607) 6.789 29.530 ( 0.000 -2.403 0.944) 2.581 29.673 ( 0.000 -0.158 -1.594) 1.602 30.132 ( 0.000 -7.178 -3.585) 8.023 30.526 ( -0.000 2.118 0.492) 2.174 30.612 ( 0.000 -1.039 -0.353) 1.097 ======================= Grid point 227 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -0.000 0.000 54.927) 54.927 3.241 ( -0.000 -0.000 54.927) 54.927 3.922 ( -0.000 0.000 37.481) 37.481 6.870 ( 0.000 0.000 -4.827) 4.827 6.870 ( -0.000 -0.000 -4.827) 4.827 8.126 ( -0.000 0.000 28.366) 28.366 9.687 ( -0.000 0.000 46.763) 46.763 10.278 ( 0.000 -0.000 -40.575) 40.575 10.278 ( 0.000 -0.000 -40.575) 40.575 10.691 ( 0.000 -0.000 -42.548) 42.548 14.352 ( 0.000 0.000 -1.078) 1.078 14.352 ( -0.000 -0.000 -1.078) 1.078 15.076 ( -0.000 0.000 24.598) 24.598 15.076 ( -0.000 -0.000 24.598) 24.598 17.947 ( -0.000 0.000 35.315) 35.315 18.146 ( -0.000 0.000 6.508) 6.508 18.237 ( -0.000 0.000 16.652) 16.652 18.237 ( -0.000 -0.000 16.652) 16.652 19.177 ( -0.000 0.000 1.272) 1.272 19.875 ( 0.000 0.000 -29.796) 29.796 19.875 ( -0.000 -0.000 -29.796) 29.796 20.994 ( 0.000 0.000 -24.384) 24.384 20.994 ( 0.000 -0.000 -24.384) 24.384 22.040 ( 0.000 -0.000 -9.662) 9.662 22.181 ( 0.000 0.000 -8.578) 8.578 22.181 ( 0.000 -0.000 -8.578) 8.578 23.352 ( 0.000 -0.000 -16.986) 16.986 24.043 ( -0.000 0.000 12.565) 12.565 24.043 ( -0.000 0.000 12.565) 12.565 24.436 ( 0.000 -0.000 -19.845) 19.845 25.363 ( 0.000 0.000 25.301) 25.301 25.363 ( -0.000 -0.000 25.301) 25.301 26.946 ( 0.000 -0.000 -4.715) 4.715 26.950 ( 0.000 -0.000 -0.302) 0.302 28.934 ( 0.000 0.000 -3.094) 3.094 28.934 ( 0.000 -0.000 -3.094) 3.094 29.409 ( -0.000 0.000 2.297) 2.297 29.678 ( 0.000 0.000 3.688) 3.688 29.678 ( -0.000 -0.000 3.688) 3.688 29.955 ( -0.000 0.000 4.969) 4.969 30.616 ( -0.000 0.000 2.273) 2.273 30.616 ( -0.000 0.000 2.273) 2.273 ======================= Grid point 228 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 1.255 0.724 40.829) 40.855 3.924 ( 15.032 8.679 47.421) 50.498 4.475 ( 22.942 13.246 27.089) 37.889 6.771 ( -3.055 -1.764 -5.709) 6.711 6.929 ( 6.866 3.964 -4.367) 9.051 8.342 ( 1.175 0.678 18.902) 18.950 9.906 ( -0.807 -0.466 -33.904) 33.917 9.914 ( 0.456 0.263 -43.195) 43.199 10.143 ( -0.127 -0.073 47.077) 47.078 10.403 ( 5.771 3.332 -40.213) 40.762 14.206 ( -14.603 -8.431 16.675) 23.715 14.251 ( -8.700 -5.023 -0.419) 10.055 15.317 ( 0.849 0.490 27.290) 27.307 15.358 ( 4.805 2.774 21.425) 22.132 18.104 ( -9.067 -5.235 27.190) 29.136 18.106 ( -8.328 -4.808 5.133) 10.901 18.461 ( 2.792 1.612 11.560) 12.001 18.479 ( 8.418 4.860 23.320) 25.265 19.054 ( -10.785 -6.227 -12.371) 17.554 19.482 ( 1.749 1.010 -18.631) 18.740 19.849 ( 9.165 5.292 -27.411) 29.383 20.704 ( -3.854 -2.225 -18.846) 19.365 20.892 ( 5.800 3.349 -30.071) 30.807 21.919 ( -3.047 -1.759 -9.229) 9.877 22.087 ( 1.349 0.779 -10.269) 10.386 22.184 ( 3.478 2.008 -7.806) 8.778 23.185 ( -1.139 -0.658 -17.669) 17.718 24.117 ( -1.814 -1.047 9.988) 10.206 24.182 ( 1.539 0.888 14.772) 14.878 24.281 ( 1.215 0.702 -18.615) 18.668 25.309 ( -11.875 -6.856 22.513) 26.360 25.797 ( 9.469 5.467 20.284) 23.043 26.937 ( 2.601 1.502 -3.327) 4.482 26.949 ( 0.113 0.065 -0.302) 0.328 28.879 ( -1.218 -0.703 -1.650) 2.169 28.943 ( 0.863 0.498 -1.997) 2.232 29.419 ( -0.403 -0.232 1.335) 1.414 29.632 ( -2.647 -1.528 0.125) 3.059 29.756 ( 2.277 1.315 1.419) 2.988 30.026 ( 1.723 0.995 5.951) 6.275 30.631 ( -1.090 -0.630 3.785) 3.989 30.639 ( -0.219 -0.126 3.447) 3.456 ======================= Grid point 229 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 2.985 1.723 20.873) 21.156 4.653 ( 18.465 10.661 36.862) 42.585 5.305 ( 33.114 19.119 20.771) 43.515 6.614 ( -7.377 -4.259 -6.336) 10.616 7.093 ( 11.084 6.399 -3.706) 13.325 8.492 ( 0.805 0.465 11.780) 11.816 9.570 ( 1.885 1.088 -45.271) 45.323 9.616 ( 4.958 2.862 -38.608) 39.031 10.279 ( 13.008 7.510 -36.696) 39.651 10.513 ( -8.852 -5.110 56.766) 57.679 14.014 ( -21.487 -12.405 28.445) 37.745 14.021 ( -12.166 -7.024 0.582) 14.060 15.525 ( -3.128 -1.806 28.083) 28.314 15.642 ( 4.760 2.748 21.968) 22.646 17.765 ( -19.469 -11.240 -11.872) 25.423 18.108 ( -9.387 -5.420 23.039) 25.461 18.436 ( -5.485 -3.167 -2.771) 6.913 18.849 ( 6.347 3.664 19.390) 20.729 18.890 ( 1.962 1.133 2.704) 3.528 19.532 ( 7.475 4.316 -4.349) 9.665 19.822 ( 8.330 4.809 -22.212) 24.206 20.508 ( -1.043 -0.602 -14.441) 14.491 20.750 ( 6.622 3.823 -34.395) 35.234 21.784 ( -2.652 -1.531 -6.857) 7.510 22.049 ( 3.767 2.175 -12.259) 13.008 22.198 ( 3.464 2.000 -7.147) 8.190 23.027 ( 0.423 0.244 -17.033) 17.040 24.098 ( -0.145 -0.083 -10.862) 10.863 24.211 ( -0.529 -0.305 1.285) 1.422 24.343 ( 1.368 0.790 15.020) 15.103 25.231 ( -11.918 -6.881 20.963) 25.076 26.088 ( 4.367 2.521 12.272) 13.268 26.950 ( 0.209 0.121 -0.228) 0.333 27.010 ( 5.440 3.141 -0.517) 6.303 28.854 ( -0.366 -0.211 -0.235) 0.484 28.938 ( -0.257 -0.148 -0.608) 0.677 29.405 ( -2.167 -1.251 1.013) 2.699 29.584 ( -0.155 -0.090 -3.116) 3.121 29.797 ( 1.379 0.796 -1.052) 1.909 30.116 ( 1.931 1.115 5.599) 6.027 30.629 ( -2.427 -1.401 4.690) 5.463 30.662 ( -0.674 -0.389 4.096) 4.169 ======================= Grid point 230 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( 0.703 0.406 7.921) 7.962 5.312 ( 16.674 9.627 24.537) 31.189 6.185 ( 32.482 18.754 12.952) 39.680 6.319 ( -14.426 -8.329 -6.154) 17.757 7.335 ( 13.257 7.654 -2.377) 15.491 8.582 ( -0.292 -0.168 8.683) 8.689 9.218 ( -1.866 -1.077 -39.333) 39.392 9.528 ( 13.109 7.569 -26.151) 30.216 10.348 ( 20.469 11.818 -34.469) 41.794 10.691 ( -14.164 -8.178 46.581) 49.369 13.668 ( -31.095 -17.953 20.721) 41.455 13.733 ( -14.571 -8.412 0.160) 16.826 15.667 ( -5.808 -3.353 29.321) 30.078 15.916 ( 0.841 0.486 23.835) 23.854 17.333 ( -6.820 -3.938 -6.758) 10.377 18.093 ( -8.824 -5.094 20.398) 22.801 18.279 ( -6.918 -3.994 -4.820) 9.330 18.973 ( -4.566 -2.636 1.976) 5.630 18.996 ( 2.779 1.605 6.552) 7.296 19.683 ( 8.137 4.698 0.302) 9.401 19.885 ( 11.193 6.462 -12.741) 18.149 20.421 ( 1.821 1.051 -8.595) 8.848 20.633 ( 9.244 5.337 -31.991) 33.724 21.702 ( -0.242 -0.140 -4.580) 4.588 22.047 ( 5.976 3.450 -12.822) 14.561 22.211 ( 3.131 1.808 -6.827) 7.725 22.925 ( 3.058 1.765 -15.874) 16.262 23.973 ( 0.575 0.332 -18.706) 18.718 24.226 ( -2.320 -1.339 7.978) 8.416 24.482 ( 0.396 0.228 12.545) 12.553 25.154 ( -11.537 -6.661 22.260) 25.942 26.200 ( -0.193 -0.111 4.461) 4.466 26.954 ( 0.271 0.157 -0.104) 0.330 27.144 ( 5.786 3.340 1.483) 6.843 28.858 ( 0.433 0.250 0.919) 1.046 28.928 ( -0.820 -0.474 1.346) 1.645 29.337 ( -3.409 -1.968 -1.996) 4.414 29.580 ( 1.892 1.093 -2.811) 3.560 29.798 ( 0.288 0.166 -3.036) 3.054 30.199 ( 1.565 0.904 4.786) 5.115 30.603 ( -3.620 -2.090 4.642) 6.247 30.675 ( -1.230 -0.710 3.905) 4.155 ======================= Grid point 231 (77/116) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -3.216 -1.857 1.064) 3.863 5.510 ( -17.650 -10.190 -1.333) 20.424 6.143 ( 7.281 4.204 9.477) 12.668 6.833 ( 18.642 10.763 2.866) 21.716 7.619 ( 12.557 7.250 0.904) 14.528 8.621 ( -4.660 -2.690 10.694) 11.971 8.831 ( -6.215 -3.588 -27.362) 28.287 9.764 ( 22.324 12.889 -10.359) 27.781 10.562 ( 25.097 14.490 -33.979) 44.658 10.728 ( -14.159 -8.175 36.447) 39.946 13.043 ( -31.074 -17.941 1.465) 35.911 13.393 ( -16.261 -9.388 -0.694) 18.790 15.777 ( -6.948 -4.011 29.776) 30.838 16.014 ( -7.935 -4.581 18.764) 20.882 17.425 ( 10.486 6.054 9.584) 15.442 18.041 ( -9.078 -5.241 -8.420) 13.446 18.062 ( -8.036 -4.640 14.918) 17.569 18.728 ( -13.621 -7.864 -7.365) 17.368 19.113 ( 2.729 1.576 6.479) 7.205 19.925 ( 11.313 6.532 9.562) 16.189 20.018 ( 11.881 6.860 -20.265) 24.472 20.422 ( 2.936 1.695 -4.654) 5.757 20.648 ( 11.410 6.588 -17.310) 21.754 21.695 ( 2.589 1.495 -3.565) 4.653 22.101 ( 8.371 4.833 -11.062) 14.690 22.218 ( 2.698 1.558 -6.640) 7.335 22.894 ( 5.782 3.338 -14.072) 15.576 23.808 ( -0.627 -0.362 -20.506) 20.519 24.238 ( -2.992 -1.727 8.634) 9.300 24.553 ( -1.555 -0.898 6.328) 6.578 25.121 ( -10.388 -5.997 27.342) 29.857 26.170 ( -3.671 -2.120 -1.195) 4.405 26.960 ( 0.263 0.152 0.009) 0.304 27.259 ( 3.386 1.955 1.039) 4.045 28.887 ( 1.154 0.666 1.781) 2.224 28.931 ( -0.693 -0.400 3.495) 3.585 29.239 ( -2.566 -1.481 -4.977) 5.792 29.606 ( 1.905 1.100 -1.320) 2.566 29.761 ( -0.864 -0.499 -4.229) 4.345 30.261 ( 0.527 0.304 4.161) 4.205 30.553 ( -3.958 -2.285 3.538) 5.780 30.673 ( -1.653 -0.954 3.019) 3.572 ======================= Grid point 232 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -9.754 -5.632 -1.486) 11.361 4.842 ( -35.198 -20.322 -4.471) 40.888 6.500 ( 13.248 7.649 8.268) 17.389 7.017 ( 0.079 0.046 -4.515) 4.516 7.762 ( -6.315 -3.646 4.096) 8.363 8.391 ( -17.188 -9.924 3.924) 20.232 8.710 ( 2.538 1.466 -0.597) 2.991 10.265 ( 25.232 14.568 -0.694) 29.144 10.680 ( -13.464 -7.773 24.994) 29.434 10.861 ( 28.660 16.547 -31.613) 45.767 12.572 ( -6.003 -3.466 -5.738) 8.998 13.025 ( -16.136 -9.316 -2.087) 18.748 15.861 ( -7.904 -4.563 27.746) 29.209 15.928 ( -11.270 -6.506 11.245) 17.199 17.680 ( 3.131 1.807 -9.962) 10.598 17.860 ( -0.994 -0.574 12.855) 12.906 17.952 ( -8.526 -4.922 -3.119) 10.327 18.371 ( -15.652 -9.037 7.111) 19.422 19.205 ( 1.709 0.987 2.810) 3.434 20.047 ( 11.604 6.700 -31.704) 34.419 20.312 ( 8.058 4.652 13.482) 16.381 20.520 ( 12.604 7.277 5.775) 15.657 20.798 ( 10.365 5.984 -6.918) 13.824 21.739 ( 4.262 2.460 -4.713) 6.814 22.218 ( 2.440 1.409 -6.463) 7.050 22.233 ( 10.608 6.124 -6.011) 13.645 22.938 ( 8.018 4.629 -11.421) 14.702 23.597 ( -2.484 -1.434 -21.633) 21.822 24.243 ( -3.243 -1.873 8.802) 9.566 24.520 ( -3.863 -2.230 0.515) 4.490 25.162 ( -9.141 -5.277 31.871) 33.574 26.025 ( -6.951 -4.013 -5.547) 9.757 26.965 ( 0.161 0.093 0.043) 0.190 27.300 ( 0.143 0.082 -0.473) 0.501 28.937 ( 1.811 1.045 2.316) 3.120 28.953 ( -0.343 -0.198 3.615) 3.637 29.157 ( -0.803 -0.463 -4.667) 4.758 29.636 ( 1.263 0.729 -0.079) 1.461 29.692 ( -1.945 -1.123 -4.526) 5.053 30.282 ( -2.251 -1.299 4.298) 5.023 30.503 ( -2.061 -1.190 1.408) 2.766 30.656 ( -1.731 -0.999 1.864) 2.733 ======================= Grid point 233 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -18.872 -10.896 1.950) 21.879 4.006 ( -39.749 -22.949 3.627) 46.042 6.800 ( 9.314 5.378 3.722) 11.381 6.800 ( -19.522 -11.271 -2.494) 22.680 7.347 ( -30.742 -17.749 8.487) 36.498 8.080 ( -18.274 -10.550 15.046) 25.916 8.810 ( 4.182 2.415 4.619) 6.683 10.654 ( -1.218 -0.703 10.095) 10.193 10.683 ( 18.200 10.508 -17.898) 27.604 11.353 ( 31.462 18.164 -8.719) 37.360 12.684 ( -10.888 -6.286 -5.100) 13.567 12.699 ( 17.726 10.234 -1.678) 20.537 15.713 ( -12.754 -7.364 0.540) 14.737 15.874 ( -10.398 -6.003 20.227) 23.522 17.571 ( -1.189 -0.687 -5.248) 5.425 17.645 ( -10.737 -6.199 -11.102) 16.642 18.035 ( 1.909 1.102 12.221) 12.418 18.225 ( -11.034 -6.370 22.365) 25.739 19.233 ( 0.265 0.153 -0.598) 0.671 20.014 ( 11.460 6.617 -34.818) 37.248 20.402 ( 1.556 0.899 -1.606) 2.410 20.943 ( 8.162 4.712 -7.464) 12.022 21.095 ( 21.128 12.198 20.459) 31.840 21.793 ( 4.668 2.695 -5.556) 7.741 22.216 ( 2.426 1.400 -6.587) 7.158 22.474 ( 12.776 7.376 3.961) 15.275 23.046 ( 9.350 5.398 -8.316) 13.628 23.336 ( -4.149 -2.395 -22.868) 23.364 24.250 ( -2.949 -1.703 9.189) 9.800 24.409 ( -5.303 -3.062 -2.187) 6.502 25.242 ( -9.024 -5.210 33.101) 34.703 25.778 ( -9.847 -5.685 -9.158) 14.600 26.967 ( -0.006 -0.004 -0.016) 0.018 27.263 ( -2.400 -1.385 -1.757) 3.281 28.957 ( -0.028 -0.016 -2.084) 2.084 29.001 ( 2.231 1.288 2.177) 3.373 29.147 ( 0.955 0.552 2.146) 2.413 29.605 ( -2.626 -1.516 -3.669) 4.760 29.658 ( 0.521 0.301 0.869) 1.057 30.230 ( -5.478 -3.163 4.237) 7.613 30.497 ( 0.878 0.507 -0.209) 1.035 30.632 ( -1.426 -0.823 0.874) 1.864 ======================= Grid point 238 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( -0.000 -5.174 30.751) 31.183 4.036 ( -0.000 1.818 44.119) 44.157 4.830 ( -0.000 38.801 26.132) 46.780 6.764 ( 0.000 0.871 -5.462) 5.531 6.844 ( -0.000 3.244 -5.075) 6.023 8.469 ( -0.000 1.237 10.509) 10.581 9.387 ( 0.000 -9.319 -50.999) 51.844 9.626 ( 0.000 11.724 -45.424) 46.912 10.104 ( 0.000 14.154 -41.566) 43.909 10.692 ( -0.000 -5.278 71.357) 71.552 14.209 ( 0.000 -19.468 7.698) 20.934 14.390 ( -0.000 -11.010 21.534) 24.186 15.559 ( -0.000 5.295 22.937) 23.540 15.577 ( -0.000 2.784 28.619) 28.754 18.173 ( 0.000 -7.270 6.693) 9.882 18.401 ( -0.000 -6.236 20.675) 21.595 18.473 ( -0.000 0.176 11.324) 11.326 18.701 ( -0.000 7.316 19.781) 21.091 19.039 ( 0.000 -12.559 -28.138) 30.813 19.100 ( 0.000 -4.967 -7.929) 9.357 19.689 ( -0.000 17.644 -22.236) 28.386 20.537 ( 0.000 -2.806 -21.642) 21.823 20.635 ( 0.000 2.264 -26.311) 26.408 21.852 ( 0.000 1.653 -12.707) 12.814 21.983 ( 0.000 -2.943 -6.745) 7.359 22.126 ( 0.000 4.821 -8.892) 10.114 23.020 ( 0.000 -1.336 -19.597) 19.643 24.090 ( 0.000 -0.515 -16.873) 16.881 24.234 ( -0.000 -1.089 11.134) 11.187 24.311 ( -0.000 3.019 12.356) 12.719 25.480 ( 0.000 -14.285 19.002) 23.773 25.974 ( -0.000 11.755 17.653) 21.209 26.908 ( -0.000 3.163 -2.897) 4.289 26.947 ( 0.000 0.174 -0.309) 0.354 28.854 ( 0.000 -3.072 -0.461) 3.106 28.951 ( -0.000 2.647 0.094) 2.648 29.428 ( -0.000 1.189 -0.575) 1.321 29.626 ( 0.000 -4.001 -1.963) 4.457 29.743 ( -0.000 1.124 -0.758) 1.356 30.086 ( -0.000 2.532 6.334) 6.821 30.663 ( -0.000 -1.540 4.809) 5.050 30.680 ( -0.000 0.012 4.992) 4.992 ======================= Grid point 239 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( -4.698 -1.555 20.280) 20.875 4.640 ( 21.365 1.936 34.638) 40.743 5.482 ( 7.501 40.530 21.227) 46.363 6.667 ( -6.503 0.949 -5.097) 8.317 6.926 ( 9.692 3.468 -5.033) 11.458 8.538 ( 1.763 -1.044 2.842) 3.504 8.938 ( 8.048 -10.404 -46.558) 48.380 9.426 ( 1.352 21.768 -41.110) 46.537 9.944 ( 3.350 18.990 -39.408) 43.873 11.142 ( -8.854 -10.918 66.480) 67.950 14.050 ( -5.271 -22.868 12.482) 26.581 14.396 ( -10.833 -15.648 28.702) 34.439 15.813 ( -2.349 0.086 27.885) 27.984 15.825 ( 2.383 6.600 23.279) 24.313 17.878 ( -22.238 -13.173 -13.919) 29.357 18.385 ( -0.900 -6.512 2.554) 7.053 18.430 ( -7.517 -2.846 7.569) 11.040 18.851 ( 5.875 -1.192 8.256) 10.202 19.006 ( 2.183 2.315 10.013) 10.507 19.172 ( 16.815 -4.373 -7.504) 18.926 19.715 ( 1.343 17.121 -13.933) 22.115 20.345 ( 1.954 -2.014 -19.986) 20.182 20.457 ( 1.761 2.913 -24.413) 24.650 21.751 ( -1.686 2.227 -10.933) 11.285 21.921 ( 1.599 0.196 -8.579) 8.729 22.114 ( 2.371 3.717 -8.639) 9.699 22.853 ( 1.190 -0.440 -19.237) 19.279 23.951 ( 0.482 0.739 -17.441) 17.464 24.297 ( -1.619 -1.480 10.118) 10.353 24.457 ( 0.870 2.226 13.090) 13.306 25.447 ( -5.259 -13.274 17.862) 22.867 26.203 ( -0.168 8.171 10.589) 13.376 26.947 ( 0.126 0.263 -0.253) 0.386 26.961 ( 4.019 4.687 -0.976) 6.251 28.830 ( 0.612 -3.303 0.900) 3.478 28.977 ( -1.212 2.730 2.081) 3.641 29.428 ( -1.161 0.761 -1.056) 1.744 29.549 ( -0.631 -2.517 -4.417) 5.123 29.754 ( 1.813 0.193 -2.852) 3.384 30.165 ( 0.466 2.373 5.622) 6.120 30.681 ( -0.978 -2.454 5.384) 5.997 30.715 ( -1.014 -0.227 5.247) 5.348 ======================= Grid point 240 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( -3.202 -1.568 10.398) 10.993 5.298 ( 21.183 6.857 25.377) 33.760 6.142 ( 12.205 30.227 12.074) 34.762 6.469 ( -12.892 -0.615 -3.280) 13.317 7.130 ( 15.300 4.908 -4.000) 16.558 8.561 ( 5.222 -1.293 -9.985) 11.342 8.712 ( 14.078 -6.971 -27.079) 31.306 9.374 ( 1.147 26.117 -30.307) 40.024 9.921 ( 10.510 20.878 -36.930) 43.705 11.309 ( -16.704 -14.513 53.914) 58.279 13.803 ( -11.129 -24.922 12.281) 29.930 14.141 ( -26.056 -21.081 19.607) 38.829 15.974 ( -4.407 -3.249 27.414) 27.956 16.150 ( 1.399 6.282 26.708) 27.473 17.339 ( -9.920 -7.998 -10.443) 16.475 18.293 ( -4.776 -5.283 -2.725) 7.625 18.364 ( -9.175 -1.845 10.944) 14.400 18.970 ( 5.153 -3.024 3.924) 7.148 19.039 ( 0.026 -4.754 -3.168) 5.713 19.372 ( 14.229 -1.417 -4.724) 15.060 19.822 ( 3.037 16.613 -8.186) 18.768 20.257 ( 7.048 -0.617 -12.732) 14.566 20.374 ( 4.250 5.093 -14.365) 15.822 21.672 ( -0.740 2.803 -7.997) 8.506 21.896 ( 3.400 3.627 -10.840) 11.925 22.122 ( 3.294 3.100 -8.251) 9.410 22.738 ( 3.516 1.352 -17.508) 17.908 23.818 ( -0.034 0.654 -17.024) 17.037 24.330 ( -2.413 -1.907 9.497) 9.982 24.580 ( -0.162 1.266 9.684) 9.768 25.393 ( -5.746 -11.988 20.023) 24.034 26.286 ( -3.730 4.951 2.858) 6.827 26.951 ( 0.226 0.301 -0.143) 0.403 27.094 ( 5.969 4.761 0.573) 7.656 28.828 ( 1.467 -3.449 2.150) 4.321 29.000 ( -2.283 3.005 4.070) 5.551 29.350 ( -3.910 -2.301 -4.487) 6.381 29.532 ( 2.373 1.355 -2.857) 3.953 29.749 ( 1.416 -0.259 -4.630) 4.849 30.237 ( 0.567 1.790 4.696) 5.057 30.670 ( -2.508 -3.158 4.962) 6.394 30.730 ( -1.739 -0.794 4.567) 4.951 ======================= Grid point 241 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( -4.584 -2.829 4.778) 7.200 5.759 ( -4.933 9.338 6.881) 12.604 6.148 ( -3.831 -3.889 4.409) 7.017 6.696 ( 14.032 12.679 3.662) 19.262 7.450 ( 16.963 9.498 -0.381) 19.444 8.522 ( 8.637 1.964 -24.236) 25.804 8.754 ( 2.727 -0.932 3.054) 4.199 9.485 ( 13.155 17.083 -13.358) 25.364 10.050 ( 18.089 22.969 -38.209) 48.112 11.305 ( -18.226 -10.031 43.622) 48.329 13.301 ( -27.495 -30.808 -1.405) 41.317 13.621 ( -23.631 -16.963 11.915) 31.435 16.078 ( -4.997 -6.239 26.029) 27.228 16.299 ( -10.693 -2.609 20.999) 23.709 17.339 ( 12.083 1.992 3.334) 12.692 18.093 ( -8.850 -4.449 -3.324) 10.448 18.251 ( -9.475 -2.948 1.615) 10.053 18.860 ( -12.389 -5.975 2.684) 14.014 19.070 ( 8.230 -3.803 -0.870) 9.108 19.524 ( 16.529 0.662 -18.382) 24.729 19.994 ( 6.523 15.936 0.059) 17.220 20.323 ( 5.790 1.393 -4.199) 7.287 20.459 ( 9.166 4.140 -1.537) 10.174 21.648 ( 1.301 4.442 -7.140) 8.509 21.926 ( 6.138 4.686 -9.569) 12.296 22.140 ( 3.443 4.360 -8.353) 10.032 22.703 ( 6.038 3.452 -14.530) 16.108 23.667 ( -1.544 -0.331 -16.384) 16.460 24.344 ( -2.824 -2.423 8.975) 9.716 24.623 ( -2.361 -0.147 3.889) 4.552 25.387 ( -4.582 -10.900 24.410) 27.123 26.239 ( -6.375 2.932 -2.632) 7.495 26.957 ( 0.264 0.281 -0.040) 0.387 27.224 ( 4.406 3.261 -0.072) 5.482 28.849 ( 2.276 -3.468 3.251) 5.270 29.030 ( -2.804 3.360 5.661) 7.156 29.218 ( -3.119 -2.122 -6.706) 7.694 29.573 ( 2.479 1.872 -1.391) 3.403 29.717 ( 0.463 -0.451 -5.613) 5.650 30.296 ( 0.392 1.145 3.875) 4.059 30.623 ( -3.860 -3.452 3.630) 6.324 30.720 ( -2.139 -1.467 3.380) 4.261 ======================= Grid point 242 (84/116) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( -8.192 -4.810 2.926) 9.940 5.329 ( -37.300 -1.846 -1.601) 37.380 6.427 ( 13.175 7.763 8.311) 17.405 6.922 ( 7.311 -0.950 -3.852) 8.318 7.764 ( 7.752 3.923 2.621) 9.075 8.458 ( 0.269 2.188 -14.519) 14.685 8.772 ( -5.444 -0.923 12.478) 13.645 9.921 ( 27.139 7.789 0.912) 28.250 10.295 ( 25.928 26.185 -39.136) 53.755 11.247 ( -23.911 -5.785 35.991) 43.595 12.579 ( -15.919 -15.799 -11.537) 25.222 13.217 ( -19.264 -17.703 10.438) 28.168 16.095 ( -7.849 -11.080 13.574) 19.199 16.202 ( -12.384 -5.550 19.464) 23.728 17.532 ( 7.451 -0.337 -8.294) 11.155 17.982 ( -3.875 -2.503 6.141) 7.681 18.007 ( -9.238 -3.689 -5.214) 11.231 18.653 ( -13.915 -4.535 14.151) 20.358 19.135 ( 6.988 -3.734 -5.243) 9.501 19.597 ( 12.446 6.628 -27.892) 31.254 20.342 ( 3.080 3.595 2.945) 5.575 20.440 ( 16.210 11.613 11.590) 23.064 20.659 ( 9.597 3.010 1.607) 10.186 21.670 ( 2.810 6.129 -7.945) 10.420 22.013 ( 8.203 0.553 -5.465) 9.872 22.195 ( 4.715 9.992 -8.014) 13.649 22.756 ( 8.099 5.409 -10.452) 14.286 23.480 ( -3.786 -1.868 -15.371) 15.941 24.345 ( -2.855 -3.096 8.444) 9.436 24.572 ( -4.392 -1.176 -0.493) 4.573 25.438 ( -3.469 -11.071 26.608) 29.028 26.095 ( -9.143 1.810 -6.185) 11.186 26.963 ( 0.197 0.192 -0.002) 0.275 27.287 ( 1.336 1.316 -1.352) 2.312 28.889 ( 2.779 -3.285 3.608) 5.615 29.041 ( -3.424 1.903 -0.460) 3.944 29.137 ( -0.472 0.544 0.249) 0.762 29.617 ( 1.944 1.484 -0.863) 2.594 29.664 ( -0.632 -0.337 -5.328) 5.376 30.334 ( -0.596 0.119 3.730) 3.779 30.547 ( -3.914 -3.008 1.494) 5.157 30.692 ( -2.155 -1.863 2.122) 3.552 ======================= Grid point 243 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -14.049 -6.293 5.859) 16.471 4.654 ( -43.934 -0.655 5.169) 44.242 6.724 ( 7.509 5.667 2.910) 9.847 6.895 ( -1.483 -3.397 -3.959) 5.423 7.667 ( -19.331 -13.439 4.309) 23.934 8.335 ( -8.390 -4.236 4.871) 10.586 8.837 ( 1.480 -0.142 12.478) 12.567 10.257 ( 17.872 10.957 -28.752) 35.583 10.889 ( 38.895 19.448 -4.795) 43.750 11.003 ( -24.179 -4.819 22.326) 33.261 12.468 ( 12.479 3.981 -4.520) 13.857 12.837 ( -15.661 -12.321 4.968) 20.537 15.824 ( -13.007 -12.605 -2.596) 18.298 16.129 ( -10.747 -8.405 15.505) 20.653 17.503 ( 1.708 -3.635 -6.139) 7.336 17.711 ( -8.593 -2.778 -3.455) 9.669 18.107 ( 2.498 -1.395 11.653) 11.999 18.554 ( -11.998 -2.921 19.293) 22.907 19.143 ( 6.115 -4.143 -8.812) 11.498 19.605 ( 8.580 9.923 -28.453) 31.332 20.359 ( 1.480 0.137 -3.732) 4.017 20.774 ( 8.324 -0.548 -2.978) 8.857 21.068 ( 17.419 16.127 14.432) 27.781 21.723 ( 3.856 6.331 -5.230) 9.072 22.076 ( 6.132 -2.386 -5.071) 8.307 22.399 ( 11.516 14.092 -0.210) 18.200 22.887 ( 9.151 7.015 -6.341) 13.159 23.248 ( -6.472 -3.771 -13.452) 15.397 24.334 ( -2.381 -4.468 6.768) 8.452 24.469 ( -5.588 -0.581 -1.028) 5.711 25.480 ( -3.045 -14.171 20.709) 25.278 25.890 ( -12.152 2.904 -3.534) 12.985 26.967 ( 0.040 0.058 -0.047) 0.085 27.273 ( -1.647 -0.250 -2.158) 2.726 28.913 ( 0.874 -1.988 -1.719) 2.770 29.001 ( 0.729 0.515 -1.074) 1.396 29.187 ( -0.009 1.659 6.874) 7.072 29.596 ( -1.217 -0.086 -4.663) 4.820 29.658 ( 0.954 1.311 0.236) 1.638 30.323 ( -4.256 -2.431 4.440) 6.614 30.488 ( -0.562 -0.748 -0.938) 1.325 30.655 ( -1.754 -1.791 1.191) 2.775 ======================= Grid point 249 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( -0.000 -4.359 13.948) 14.613 4.781 ( -0.000 7.953 33.489) 34.420 6.002 ( -0.000 43.063 17.225) 46.380 6.724 ( -0.000 3.721 -4.239) 5.641 6.797 ( 0.000 0.490 -5.934) 5.954 8.403 ( 0.000 -9.089 -39.456) 40.489 8.464 ( 0.000 -2.576 -9.790) 10.124 9.343 ( -0.000 29.383 -32.366) 43.714 9.818 ( -0.000 27.260 -38.347) 47.048 11.610 ( -0.000 -20.424 58.435) 61.901 14.007 ( 0.000 -27.547 22.840) 35.784 14.568 ( 0.000 -20.905 30.767) 37.197 16.055 ( -0.000 -2.201 25.574) 25.669 16.058 ( -0.000 8.843 21.341) 23.101 17.922 ( 0.000 -17.926 -28.312) 33.510 18.074 ( 0.000 -7.509 -2.979) 8.078 18.567 ( 0.000 -1.466 0.130) 1.471 18.797 ( 0.000 -5.532 -9.729) 11.192 18.857 ( -0.000 -0.499 13.063) 13.073 19.296 ( -0.000 5.610 20.902) 21.642 19.771 ( -0.000 15.481 -7.728) 17.302 20.132 ( 0.000 -1.639 -19.099) 19.169 20.300 ( 0.000 4.813 -18.190) 18.816 21.692 ( 0.000 6.228 -14.964) 16.208 21.857 ( 0.000 -1.199 -3.417) 3.621 22.051 ( 0.000 4.385 -9.993) 10.912 22.679 ( 0.000 0.576 -18.707) 18.716 23.817 ( 0.000 1.234 -15.899) 15.947 24.375 ( -0.000 -2.405 9.389) 9.692 24.578 ( -0.000 2.495 11.246) 11.520 25.485 ( 0.000 -15.021 15.800) 21.801 26.371 ( -0.000 8.200 6.544) 10.491 26.947 ( -0.000 0.363 -0.216) 0.422 26.966 ( -0.000 5.807 -0.754) 5.856 28.804 ( 0.000 -3.855 2.277) 4.477 29.044 ( -0.000 3.109 4.463) 5.439 29.446 ( -0.000 2.802 -1.629) 3.241 29.472 ( 0.000 -4.407 -6.221) 7.624 29.710 ( 0.000 0.261 -4.432) 4.440 30.229 ( -0.000 2.244 4.771) 5.273 30.708 ( -0.000 -3.278 5.447) 6.358 30.765 ( -0.000 -0.713 5.069) 5.119 ======================= Grid point 250 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.303 ( -4.511 -3.149 9.569) 11.038 5.267 ( 15.315 9.128 26.158) 31.656 6.467 ( -3.193 30.331 6.359) 31.155 6.649 ( -9.275 2.886 -1.443) 9.820 6.887 ( 14.991 6.009 -4.090) 16.660 8.150 ( 10.114 -2.022 -26.348) 28.295 8.406 ( 8.101 -0.559 -11.707) 14.248 9.396 ( 0.574 30.746 -26.657) 40.697 9.786 ( 0.265 30.336 -34.632) 46.041 11.748 ( -7.446 -26.466 45.607) 53.253 13.859 ( -9.777 -30.667 21.295) 38.595 14.451 ( -16.370 -26.437 22.644) 38.466 16.191 ( -2.251 -6.129 21.965) 22.914 16.394 ( 5.516 10.427 23.843) 26.601 17.341 ( -15.346 -12.579 -14.347) 24.486 18.157 ( 12.775 -6.687 -9.501) 17.268 18.493 ( -3.983 -1.624 -5.285) 6.814 18.707 ( 3.016 -5.628 -2.662) 6.918 18.970 ( 3.769 -2.378 3.696) 5.790 19.417 ( -5.674 1.734 7.578) 9.624 19.874 ( 1.542 13.646 -5.373) 14.747 20.071 ( 6.703 2.096 -3.094) 7.674 20.261 ( 3.453 6.541 -10.321) 12.698 21.632 ( 0.141 7.579 -14.113) 16.020 21.830 ( 0.420 1.236 -3.456) 3.694 22.031 ( 2.455 4.546 -9.788) 11.067 22.563 ( 2.290 2.715 -16.196) 16.581 23.698 ( -0.403 0.670 -14.348) 14.369 24.414 ( -1.223 -2.948 8.584) 9.158 24.672 ( -0.687 1.434 6.784) 6.968 25.474 ( -1.092 -13.899 17.666) 22.505 26.430 ( -4.363 5.884 0.236) 7.329 26.950 ( 0.125 0.402 -0.141) 0.444 27.058 ( 4.256 5.732 0.095) 7.140 28.798 ( 0.804 -3.945 3.594) 5.397 29.107 ( -1.513 3.227 6.276) 7.217 29.340 ( -3.472 -3.286 -6.755) 8.275 29.486 ( 2.480 2.536 -2.296) 4.226 29.679 ( 1.256 -0.056 -5.849) 5.982 30.285 ( 0.157 1.789 3.824) 4.225 30.707 ( -1.205 -4.146 4.628) 6.330 30.783 ( -1.277 -1.335 4.004) 4.410 ======================= Grid point 251 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( -5.589 -3.251 6.003) 8.822 5.812 ( 16.930 9.669 15.300) 24.783 6.387 ( -20.254 1.730 -1.020) 20.354 6.632 ( 5.453 2.916 -3.966) 7.346 7.304 ( 15.792 19.741 2.285) 25.384 8.191 ( 11.635 6.347 -17.366) 21.846 8.596 ( 18.874 3.381 3.183) 19.437 9.447 ( -0.434 21.697 -20.431) 29.806 9.820 ( 3.956 30.307 -32.858) 44.875 11.733 ( -7.987 -19.048 36.363) 41.820 13.383 ( -22.670 -36.117 0.997) 42.654 13.997 ( -26.197 -24.459 19.111) 40.617 16.245 ( -2.572 -11.063 18.829) 21.989 16.657 ( -11.847 1.293 21.151) 24.277 17.110 ( 11.471 -5.616 -6.573) 14.364 18.134 ( -0.467 -3.681 -5.529) 6.658 18.315 ( -7.388 -2.796 -10.426) 13.080 18.767 ( 9.943 -3.408 -3.814) 11.182 18.982 ( -0.809 -3.720 4.290) 5.735 19.366 ( -1.838 2.469 -2.582) 4.017 20.032 ( 6.859 13.109 2.226) 14.962 20.244 ( 4.897 5.697 1.174) 7.603 20.357 ( 7.830 3.734 1.264) 8.766 21.607 ( 1.225 8.809 -12.839) 15.619 21.843 ( 2.042 2.742 -2.829) 4.437 22.051 ( 3.945 6.422 -9.547) 12.164 22.539 ( 4.846 5.263 -12.041) 14.006 23.568 ( -1.634 -0.805 -12.641) 12.772 24.427 ( -1.942 -3.537 7.808) 8.789 24.686 ( -2.441 -0.256 1.281) 2.769 25.499 ( -0.641 -12.444 20.650) 24.118 26.362 ( -6.925 3.984 -4.469) 9.155 26.956 ( 0.209 0.365 -0.057) 0.425 27.181 ( 4.475 4.183 -0.446) 6.141 28.816 ( 1.575 -3.768 4.668) 6.202 29.163 ( -2.520 3.285 7.469) 8.540 29.190 ( -3.571 -2.531 -7.632) 8.798 29.536 ( 2.819 2.465 -2.287) 4.388 29.649 ( 1.284 -0.015 -6.010) 6.146 30.332 ( 0.211 1.377 2.921) 3.236 30.667 ( -2.607 -4.734 3.140) 6.251 30.766 ( -2.159 -2.040 2.640) 3.974 ======================= Grid point 252 (89/116) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( -6.894 -3.462 4.566) 8.965 5.901 ( -28.091 4.925 -0.578) 28.526 6.354 ( 13.454 6.615 10.253) 18.163 6.702 ( 9.251 -4.003 -7.571) 12.606 7.697 ( 9.952 11.414 2.097) 15.287 8.297 ( 8.004 6.475 -11.161) 15.184 8.968 ( 1.028 5.455 14.374) 15.408 9.587 ( 21.214 5.507 0.114) 21.918 9.928 ( 10.445 32.612 -38.768) 51.726 11.767 ( -9.805 -5.713 29.401) 31.515 12.594 ( -22.429 -27.663 -12.664) 37.798 13.514 ( -24.817 -24.007 18.006) 38.941 16.172 ( -6.588 -15.910 7.318) 18.710 16.512 ( -14.744 -6.507 15.246) 22.184 17.263 ( 13.722 -4.306 -8.076) 16.494 18.023 ( -9.998 -5.915 -9.504) 15.009 18.071 ( -0.777 -1.248 -1.037) 1.800 18.793 ( 3.147 -2.331 -6.514) 7.600 19.010 ( -3.790 -0.286 11.545) 12.154 19.396 ( 5.339 6.320 -8.622) 11.950 20.286 ( 4.760 1.545 -3.016) 5.843 20.446 ( 10.681 12.404 11.321) 19.902 20.571 ( 10.034 5.992 7.714) 14.004 21.622 ( 2.430 9.805 -11.437) 15.260 21.889 ( 3.656 0.245 -1.540) 3.974 22.136 ( 5.972 11.513 -8.185) 15.337 22.617 ( 6.989 7.606 -6.991) 12.473 23.412 ( -3.521 -2.877 -10.326) 11.283 24.415 ( -2.376 -4.440 6.483) 8.209 24.623 ( -3.714 -1.060 -1.582) 4.173 25.544 ( -1.040 -12.481 19.145) 22.878 26.221 ( -8.179 2.597 -5.720) 10.313 26.962 ( 0.192 0.255 -0.017) 0.319 27.261 ( 2.305 2.220 -1.321) 3.462 28.854 ( 2.006 -3.333 4.797) 6.177 29.051 ( -3.056 -1.014 -7.121) 7.815 29.221 ( -1.963 2.522 7.743) 8.376 29.571 ( 2.480 1.265 -5.163) 5.866 29.631 ( 0.853 1.282 -2.265) 2.739 30.368 ( 0.126 0.939 2.372) 2.554 30.587 ( -3.742 -4.792 1.276) 6.212 30.724 ( -2.332 -2.596 1.487) 3.793 ======================= Grid point 253 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( -9.104 -2.384 5.471) 10.886 5.422 ( -37.906 7.485 5.838) 39.077 6.701 ( 10.763 8.027 4.518) 14.166 6.715 ( 7.109 -7.520 -8.337) 13.289 7.807 ( -5.344 -4.372 2.751) 7.433 8.366 ( 2.092 2.008 -2.872) 4.081 8.980 ( -6.381 -4.607 14.533) 16.527 9.920 ( 9.354 15.735 -24.621) 30.681 10.398 ( 38.757 20.564 -1.089) 43.888 11.567 ( -27.849 -12.475 18.232) 35.547 12.291 ( 8.745 3.116 -4.702) 10.406 13.043 ( -19.876 -19.791 9.103) 29.489 15.858 ( -11.861 -16.662 -3.812) 20.805 16.343 ( -12.486 -9.598 10.850) 19.124 17.310 ( 8.425 -6.408 -9.057) 13.931 17.776 ( -5.634 -6.145 0.231) 8.340 18.093 ( 3.453 -1.462 1.325) 3.977 18.769 ( -0.958 -0.319 0.227) 1.035 19.008 ( -4.274 -0.753 5.857) 7.289 19.471 ( 3.616 10.099 -10.620) 15.094 20.299 ( 1.367 -0.319 -3.871) 4.117 20.629 ( 5.685 -0.203 -2.441) 6.190 21.062 ( 15.059 18.300 8.382) 25.138 21.690 ( 4.124 8.431 -3.737) 10.102 21.932 ( 4.562 -1.692 -2.298) 5.381 22.348 ( 10.375 15.102 -1.792) 18.410 22.783 ( 8.209 9.624 -2.984) 12.997 23.226 ( -5.724 -5.351 -6.011) 9.875 24.367 ( -2.865 -5.559 2.768) 6.839 24.543 ( -3.756 -0.591 0.420) 3.826 25.503 ( -3.849 -13.671 6.803) 15.748 26.085 ( -7.577 1.347 2.259) 8.021 26.966 ( 0.067 0.098 -0.043) 0.126 27.276 ( -0.506 0.622 -1.600) 1.790 28.875 ( 0.218 -1.685 -0.829) 1.890 28.977 ( 0.436 -0.600 -1.246) 1.450 29.272 ( -1.250 0.688 6.644) 6.795 29.564 ( 1.043 1.743 -4.731) 5.149 29.658 ( 1.015 1.862 0.001) 2.120 30.389 ( -1.341 -0.555 3.231) 3.542 30.487 ( -2.861 -3.492 -1.276) 4.691 30.673 ( -1.837 -2.618 0.881) 3.318 ======================= Grid point 260 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( 0.000 -4.737 5.513) 7.268 5.445 ( -0.000 9.680 21.908) 23.952 6.594 ( 0.000 -8.902 -9.074) 12.712 6.761 ( -0.000 4.876 -1.262) 5.037 6.970 ( -0.000 37.755 6.129) 38.250 7.930 ( -0.000 5.480 -6.298) 8.348 8.230 ( 0.000 5.233 -15.290) 16.161 9.456 ( -0.000 28.219 -25.524) 38.050 9.834 ( -0.000 36.565 -31.680) 48.380 11.849 ( 0.000 -33.319 36.647) 49.529 13.813 ( 0.000 -36.781 16.551) 40.334 14.486 ( 0.000 -31.923 15.657) 35.556 16.291 ( 0.000 -10.428 15.574) 18.743 16.599 ( -0.000 9.639 15.935) 18.623 17.317 ( 0.000 -10.750 -2.089) 10.951 17.829 ( 0.000 -2.268 -12.351) 12.557 18.480 ( 0.000 -0.246 -3.735) 3.743 18.696 ( -0.000 -2.490 5.796) 6.308 18.892 ( 0.000 -4.905 -6.421) 8.080 19.494 ( 0.000 -1.857 -3.127) 3.637 19.965 ( -0.000 11.210 0.487) 11.220 20.069 ( -0.000 4.894 11.079) 12.111 20.239 ( -0.000 9.633 -5.932) 11.313 21.585 ( -0.000 10.261 -16.006) 19.012 21.826 ( -0.000 0.620 0.465) 0.775 21.977 ( -0.000 6.668 -10.241) 12.221 22.457 ( 0.000 5.190 -12.664) 13.686 23.593 ( 0.000 -0.275 -12.000) 12.003 24.460 ( -0.000 -3.676 7.556) 8.403 24.726 ( -0.000 0.108 2.103) 2.106 25.505 ( 0.000 -12.488 18.634) 22.432 26.496 ( -0.000 3.733 -5.133) 6.347 26.952 ( -0.000 0.429 -0.099) 0.440 27.081 ( -0.000 5.832 0.752) 5.880 28.790 ( 0.000 -3.925 4.943) 6.312 29.205 ( -0.000 2.236 6.484) 6.858 29.279 ( 0.000 -2.764 -6.217) 6.803 29.471 ( -0.000 3.274 -3.143) 4.539 29.617 ( 0.000 0.217 -6.051) 6.055 30.328 ( -0.000 1.587 2.808) 3.225 30.708 ( 0.000 -5.112 3.580) 6.241 30.807 ( 0.000 -2.029 2.688) 3.368 ======================= Grid point 261 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( -2.732 -5.629 2.018) 6.574 5.739 ( 11.743 0.909 9.142) 14.909 6.465 ( 2.125 -6.296 -5.209) 8.444 6.708 ( -10.827 6.043 -0.328) 12.404 7.388 ( 6.149 28.893 2.413) 29.638 8.068 ( 2.873 12.652 -0.755) 12.996 8.367 ( 18.661 10.759 4.464) 21.998 9.464 ( -0.694 18.503 -25.223) 31.289 9.902 ( -4.092 36.614 -27.147) 45.763 11.849 ( 0.815 -23.615 30.515) 38.594 13.348 ( -17.246 -42.356 -3.920) 45.901 14.176 ( -10.246 -32.781 9.451) 35.621 16.281 ( -1.142 -15.133 12.792) 19.848 16.797 ( 9.598 -4.418 -1.474) 10.669 17.125 ( -20.547 1.449 17.184) 26.825 17.897 ( 13.538 0.269 -9.723) 16.670 18.356 ( -9.130 -2.061 -7.861) 12.223 18.729 ( -1.083 -0.829 3.205) 3.483 18.876 ( 10.027 -1.758 2.038) 10.382 19.396 ( -2.631 -2.843 -6.019) 7.157 20.087 ( 2.209 8.847 4.694) 10.256 20.286 ( 4.053 7.184 9.676) 12.715 20.332 ( 3.165 9.366 2.695) 10.247 21.564 ( 1.002 11.541 -15.168) 19.086 21.846 ( -0.090 1.259 1.950) 2.323 21.989 ( 2.641 9.418 -9.480) 13.621 22.454 ( 2.678 7.832 -7.648) 11.269 23.484 ( -1.033 -2.037 -9.522) 9.792 24.474 ( -1.030 -4.289 6.562) 7.907 24.706 ( -1.300 -1.599 -2.285) 3.077 25.559 ( -0.090 -10.801 19.686) 22.454 26.421 ( -3.667 1.522 -9.793) 10.567 26.957 ( 0.111 0.385 -0.035) 0.402 27.163 ( 2.548 4.412 0.683) 5.141 28.807 ( 0.747 -3.613 5.983) 7.029 29.154 ( -2.406 -2.460 -6.960) 7.764 29.296 ( -1.994 2.709 7.834) 8.525 29.479 ( 2.405 2.011 -6.392) 7.119 29.592 ( 1.119 1.319 -3.127) 3.574 30.363 ( 0.092 1.463 1.772) 2.300 30.670 ( -1.228 -5.918 2.118) 6.404 30.790 ( -1.294 -2.664 1.244) 3.212 ======================= Grid point 262 (93/116) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( -2.841 -5.653 0.347) 6.336 5.949 ( 16.531 -13.554 -3.032) 21.591 6.467 ( -3.887 5.170 7.081) 9.591 6.577 ( -7.018 7.631 -4.721) 11.391 7.714 ( 5.277 15.843 0.619) 16.711 8.207 ( 3.982 10.382 -3.275) 11.591 9.033 ( 22.348 15.213 26.794) 38.063 9.366 ( 2.923 2.548 -16.389) 16.841 9.938 ( -5.011 35.427 -26.104) 44.290 11.974 ( 2.662 -3.531 20.907) 21.370 12.533 ( -20.538 -37.853 -14.950) 45.587 13.721 ( -15.848 -33.022 6.506) 37.202 16.152 ( -5.432 -18.496 5.106) 19.942 16.716 ( -4.007 -13.935 0.060) 14.500 17.078 ( -4.827 4.702 7.598) 10.156 17.985 ( 3.585 -1.252 -6.062) 7.153 18.066 ( -9.781 -3.185 -7.700) 12.849 18.732 ( 0.908 0.512 -0.324) 1.092 19.126 ( 5.097 1.643 11.888) 13.039 19.301 ( 3.062 0.158 -7.673) 8.263 20.227 ( 2.968 2.635 1.275) 4.169 20.474 ( 3.339 5.746 5.175) 8.423 20.608 ( 9.654 15.476 12.769) 22.266 21.583 ( 2.309 11.717 -12.076) 16.984 21.868 ( -0.298 0.479 1.624) 1.719 22.095 ( 5.634 13.427 -6.317) 15.872 22.560 ( 5.079 9.910 -2.623) 11.441 23.359 ( -2.510 -4.309 -6.198) 7.955 24.452 ( -2.175 -5.104 4.454) 7.115 24.633 ( -1.722 -2.147 -3.367) 4.349 25.600 ( -2.053 -10.710 15.295) 18.784 26.271 ( -3.946 -0.387 -9.876) 10.642 26.962 ( 0.144 0.272 0.005) 0.308 27.239 ( 2.155 2.408 0.093) 3.233 28.843 ( 1.114 -3.056 5.967) 6.796 29.034 ( -2.966 -0.821 -6.304) 7.015 29.334 ( -2.280 0.702 5.055) 5.590 29.488 ( 3.083 2.216 -5.526) 6.705 29.619 ( 1.404 2.129 -0.388) 2.580 30.389 ( 0.213 1.369 0.824) 1.612 30.594 ( -2.388 -6.291 0.714) 6.766 30.740 ( -1.995 -3.075 0.222) 3.672 ======================= Grid point 263 (94/116) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( -2.474 -4.284 0.000) 4.947 5.943 ( -3.509 -6.077 0.000) 7.018 6.407 ( -3.371 -5.839 0.000) 6.743 6.704 ( 7.685 13.311 0.000) 15.371 7.837 ( 0.011 0.018 0.000) 0.021 8.333 ( 3.107 5.381 0.000) 6.213 9.102 ( -6.089 -10.547 0.000) 12.178 9.831 ( 6.934 12.009 0.000) 13.867 10.127 ( 21.253 36.812 -0.000) 42.507 11.845 ( -14.203 -24.600 -0.000) 28.406 12.189 ( 4.655 8.062 0.000) 9.309 13.177 ( -16.055 -27.808 -0.000) 32.110 15.856 ( -10.477 -18.147 0.000) 20.954 16.484 ( -8.501 -14.723 -0.000) 17.001 17.102 ( 0.660 1.143 0.000) 1.320 17.789 ( -5.257 -9.106 0.000) 10.514 18.056 ( 1.575 2.728 0.000) 3.150 18.758 ( 0.982 1.701 -0.000) 1.964 19.124 ( -2.520 -4.365 0.000) 5.040 19.440 ( 5.139 8.901 -0.000) 10.278 20.265 ( 0.127 0.220 0.000) 0.254 20.566 ( 1.259 2.180 0.000) 2.517 21.061 ( 11.861 20.543 -0.000) 23.721 21.682 ( 5.212 9.028 0.000) 10.424 21.874 ( 0.052 0.091 -0.000) 0.105 22.325 ( 9.078 15.723 0.000) 18.155 22.749 ( 6.633 11.489 -0.000) 13.267 23.223 ( -3.867 -6.698 0.000) 7.734 24.375 ( -3.239 -5.610 -0.000) 6.478 24.574 ( -1.150 -1.992 0.000) 2.300 25.496 ( -6.640 -11.501 0.000) 13.280 26.166 ( -1.404 -2.431 0.000) 2.808 26.966 ( 0.066 0.115 0.000) 0.133 27.276 ( 0.439 0.761 0.000) 0.878 28.862 ( -0.681 -1.179 0.000) 1.361 28.965 ( -0.293 -0.508 -0.000) 0.587 29.322 ( -0.874 -1.513 -0.000) 1.747 29.536 ( 2.048 3.547 0.000) 4.096 29.659 ( 1.135 1.966 -0.000) 2.270 30.410 ( 0.564 0.977 0.000) 1.129 30.490 ( -3.454 -5.982 0.000) 6.908 30.680 ( -1.731 -2.998 0.000) 3.461 ======================= Grid point 272 (95/116) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 0.000 -8.141 -2.685) 8.572 5.569 ( 0.000 -18.206 -4.256) 18.697 6.426 ( -0.000 5.554 0.779) 5.609 6.848 ( -0.000 3.726 1.363) 3.967 7.617 ( -0.000 25.023 0.263) 25.025 8.218 ( -0.000 10.904 -5.504) 12.215 8.442 ( -0.000 22.565 32.004) 39.159 9.379 ( 0.000 8.391 -26.454) 27.753 10.104 ( -0.000 40.960 -23.577) 47.261 11.880 ( -0.000 -15.159 26.663) 30.671 12.978 ( 0.000 -49.971 -16.700) 52.688 13.923 ( 0.000 -34.033 -4.752) 34.363 16.236 ( 0.000 -18.578 11.875) 22.049 16.654 ( 0.000 -10.073 -0.019) 10.073 17.612 ( 0.000 2.477 -12.652) 12.893 17.640 ( -0.000 6.840 24.339) 25.282 18.401 ( 0.000 -0.052 -7.321) 7.321 18.609 ( 0.000 -3.842 -5.058) 6.352 18.904 ( -0.000 3.103 14.619) 14.945 19.287 ( 0.000 -6.339 -11.718) 13.323 20.177 ( -0.000 5.504 4.291) 6.979 20.424 ( -0.000 6.186 13.852) 15.171 20.457 ( -0.000 14.949 4.759) 15.688 21.545 ( -0.000 12.257 -13.587) 18.299 21.892 ( -0.000 1.950 4.241) 4.668 21.991 ( -0.000 12.399 -8.474) 15.018 22.473 ( -0.000 10.002 -2.544) 10.320 23.398 ( 0.000 -3.873 -6.300) 7.396 24.491 ( 0.000 -4.786 5.622) 7.383 24.659 ( 0.000 -2.969 -5.472) 6.226 25.634 ( -0.000 -9.249 19.431) 21.520 26.339 ( 0.000 -1.374 -16.098) 16.156 26.959 ( -0.000 0.344 0.008) 0.344 27.192 ( -0.000 3.336 1.727) 3.757 28.824 ( -0.000 -3.201 6.973) 7.673 29.100 ( 0.000 -1.663 -5.963) 6.190 29.397 ( 0.000 0.880 -9.961) 10.000 29.407 ( -0.000 2.205 8.162) 8.454 29.586 ( -0.000 2.509 -0.715) 2.609 30.386 ( -0.000 1.578 0.521) 1.662 30.632 ( 0.000 -6.848 0.895) 6.906 30.778 ( 0.000 -3.144 -0.125) 3.146 ======================= Grid point 273 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 0.352 -9.191 -4.648) 10.305 5.410 ( 15.166 -28.105 -7.606) 32.829 6.537 ( 2.272 11.298 0.142) 11.525 6.825 ( -8.170 3.180 3.114) 9.304 7.808 ( 0.488 12.069 -0.882) 12.111 8.279 ( -0.393 9.510 0.296) 9.523 9.141 ( 15.936 22.747 35.518) 45.088 9.196 ( 0.239 -0.996 -17.193) 17.223 10.242 ( -8.200 40.597 -18.466) 45.347 12.020 ( 3.889 -2.778 3.105) 5.699 12.254 ( -8.262 -42.185 -9.955) 44.124 13.522 ( -3.808 -33.488 -8.363) 34.726 16.106 ( -4.194 -20.061 7.519) 21.830 16.548 ( 1.052 -13.575 -3.493) 14.057 17.411 ( -13.351 4.506 2.016) 14.234 17.864 ( 4.186 -2.796 -2.365) 5.561 18.194 ( -11.491 0.824 -2.303) 11.748 18.716 ( 2.883 2.392 6.629) 7.614 19.108 ( 3.173 -4.962 -3.143) 6.676 19.158 ( 8.500 3.014 3.923) 9.835 20.256 ( 0.231 2.606 4.108) 4.870 20.569 ( -1.119 6.489 7.359) 9.875 20.722 ( 6.656 17.982 7.439) 20.567 21.572 ( 1.521 11.319 -8.500) 14.237 21.929 ( -2.442 2.807 3.684) 5.236 22.103 ( 4.509 15.214 -4.177) 16.409 22.594 ( 2.572 11.257 1.697) 11.671 23.306 ( -1.212 -6.001 -1.963) 6.430 24.468 ( -2.103 -5.326 2.873) 6.407 24.580 ( 0.540 -3.355 -5.257) 6.260 25.676 ( -3.600 -9.252 13.979) 17.146 26.164 ( 0.810 -3.746 -16.933) 17.362 26.963 ( 0.070 0.244 0.039) 0.257 27.240 ( 1.017 1.475 1.719) 2.483 28.860 ( 0.297 -2.611 6.876) 7.362 29.026 ( -2.145 -0.120 -4.791) 5.251 29.325 ( 0.825 -0.046 -8.857) 8.896 29.490 ( 0.266 1.955 6.210) 6.516 29.619 ( 1.044 2.411 0.114) 2.630 30.400 ( 0.106 1.400 -0.994) 1.720 30.561 ( -0.980 -7.062 0.244) 7.133 30.732 ( -1.074 -3.280 -0.943) 3.578 ======================= Grid point 283 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.003 ( 0.000 -12.015 -5.518) 13.221 4.895 ( 0.000 -36.162 -8.423) 37.130 6.625 ( -0.000 12.181 -1.457) 12.268 6.918 ( -0.000 -1.625 3.188) 3.579 7.847 ( 0.000 -3.661 -2.591) 4.485 8.355 ( -0.000 4.284 0.793) 4.356 8.989 ( 0.000 -2.074 -19.948) 20.056 9.642 ( -0.000 26.411 46.990) 53.904 10.580 ( -0.000 43.500 -13.355) 45.504 11.528 ( 0.000 -40.310 -35.193) 53.511 12.258 ( -0.000 5.624 17.514) 18.395 13.182 ( 0.000 -28.570 -9.411) 30.080 16.010 ( 0.000 -20.052 5.459) 20.782 16.371 ( 0.000 -13.444 -8.264) 15.781 17.528 ( -0.000 2.656 -3.106) 4.086 17.764 ( 0.000 -8.383 -0.236) 8.387 18.232 ( 0.000 0.499 -12.534) 12.544 18.772 ( 0.000 -8.406 -9.698) 12.834 19.124 ( -0.000 11.310 27.503) 29.738 19.153 ( -0.000 2.163 7.164) 7.483 20.314 ( -0.000 1.813 4.464) 4.818 20.714 ( -0.000 6.510 6.377) 9.113 20.866 ( -0.000 20.797 -1.645) 20.862 21.609 ( -0.000 9.345 -2.308) 9.626 22.037 ( -0.000 2.883 7.217) 7.772 22.180 ( -0.000 18.643 -3.873) 19.041 22.712 ( -0.000 11.606 5.225) 12.728 23.257 ( 0.000 -7.557 3.737) 8.430 24.471 ( 0.000 -3.742 -8.542) 9.326 24.472 ( 0.000 -5.621 3.736) 6.750 25.762 ( -0.000 -9.191 15.262) 17.816 25.907 ( 0.000 -6.498 -25.844) 26.649 26.965 ( -0.000 0.169 0.054) 0.177 27.257 ( -0.000 -0.142 2.291) 2.295 28.896 ( -0.000 -2.110 7.032) 7.341 29.013 ( 0.000 0.887 -3.576) 3.684 29.236 ( 0.000 0.899 -9.724) 9.765 29.553 ( -0.000 -0.104 6.256) 6.257 29.633 ( -0.000 2.278 0.135) 2.282 30.387 ( 0.000 -0.747 -3.452) 3.532 30.510 ( 0.000 -5.183 0.791) 5.243 30.700 ( 0.000 -3.084 -1.470) 3.416 ======================= Grid point 340 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.454 ( -0.000 0.000 40.444) 40.444 4.454 ( -0.000 -0.000 40.444) 40.444 4.491 ( -0.000 0.000 11.816) 11.816 6.736 ( 0.000 0.000 -5.528) 5.528 6.736 ( -0.000 -0.000 -5.528) 5.528 8.538 ( -0.000 0.000 7.839) 7.839 9.057 ( 0.000 -0.000 -52.450) 52.450 9.057 ( 0.000 -0.000 -52.450) 52.450 9.633 ( 0.000 -0.000 -38.875) 38.875 11.390 ( -0.000 0.000 77.688) 77.688 14.567 ( 0.000 0.000 17.544) 17.544 14.567 ( -0.000 -0.000 17.544) 17.544 15.773 ( -0.000 0.000 28.703) 28.703 15.773 ( -0.000 -0.000 28.703) 28.703 18.308 ( -0.000 0.000 5.620) 5.620 18.582 ( -0.000 0.000 4.985) 4.985 18.582 ( -0.000 -0.000 4.985) 4.985 18.852 ( -0.000 0.000 35.045) 35.045 19.049 ( 0.000 0.000 -28.211) 28.211 19.049 ( -0.000 -0.000 -28.211) 28.211 19.176 ( 0.000 -0.000 -1.809) 1.809 20.382 ( 0.000 0.000 -24.352) 24.352 20.382 ( 0.000 -0.000 -24.352) 24.352 21.705 ( 0.000 -0.000 -16.676) 16.676 21.989 ( 0.000 0.000 -6.340) 6.340 21.989 ( -0.000 -0.000 -6.340) 6.340 22.850 ( 0.000 -0.000 -22.028) 22.028 23.930 ( 0.000 -0.000 -18.265) 18.265 24.375 ( -0.000 0.000 12.769) 12.769 24.375 ( -0.000 -0.000 12.769) 12.769 25.887 ( 0.000 0.000 15.599) 15.599 25.887 ( -0.000 -0.000 15.599) 15.599 26.850 ( 0.000 -0.000 -2.887) 2.887 26.942 ( 0.000 -0.000 -0.325) 0.325 28.912 ( 0.000 0.000 1.762) 1.762 28.912 ( -0.000 -0.000 1.762) 1.762 29.404 ( 0.000 -0.000 -1.891) 1.891 29.674 ( 0.000 0.000 -3.973) 3.973 29.674 ( -0.000 -0.000 -3.973) 3.973 30.125 ( -0.000 0.000 7.421) 7.421 30.726 ( -0.000 0.000 5.928) 5.928 30.726 ( -0.000 0.000 5.928) 5.928 ======================= Grid point 341 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( -9.709 -5.606 17.814) 21.049 4.943 ( 9.872 5.699 32.558) 34.496 5.073 ( 22.010 12.708 23.394) 34.543 6.632 ( -3.137 -1.811 -4.895) 6.089 6.801 ( 7.678 4.433 -5.543) 10.456 8.528 ( -0.310 -0.179 -22.772) 22.775 8.701 ( 5.061 2.922 -22.563) 23.307 8.744 ( 8.530 4.925 -46.736) 47.763 9.396 ( 6.699 3.868 -36.381) 37.194 11.915 ( -11.419 -6.593 71.745) 72.947 14.474 ( -14.329 -8.273 17.623) 24.173 14.795 ( -5.144 -2.970 27.406) 28.043 15.972 ( 0.941 0.543 24.749) 24.773 16.056 ( 0.437 0.252 28.960) 28.965 17.999 ( -24.455 -14.119 -18.894) 33.976 18.450 ( -1.300 -0.751 -4.953) 5.175 18.560 ( -4.007 -2.314 3.581) 5.851 18.916 ( 2.762 1.595 6.813) 7.522 19.048 ( 7.446 4.299 -15.218) 17.479 19.198 ( 5.930 3.423 17.432) 18.728 19.282 ( 8.601 4.966 -3.625) 10.573 20.190 ( 2.014 1.163 -21.132) 21.260 20.202 ( 1.853 1.070 -23.432) 23.529 21.584 ( 2.101 1.213 -17.355) 17.524 21.879 ( -2.534 -1.463 -5.346) 6.095 22.006 ( 3.287 1.898 -6.298) 7.353 22.672 ( 1.068 0.617 -21.796) 21.830 23.794 ( 0.580 0.335 -15.833) 15.847 24.424 ( -2.620 -1.512 11.343) 11.739 24.528 ( 1.972 1.138 11.564) 11.786 25.792 ( -9.973 -5.758 15.382) 19.215 26.161 ( 4.910 2.835 8.158) 9.935 26.878 ( 4.554 2.629 -1.461) 5.458 26.941 ( 0.174 0.101 -0.275) 0.341 28.896 ( -1.453 -0.839 3.194) 3.608 28.965 ( 0.629 0.363 3.993) 4.059 29.399 ( 0.854 0.493 -2.053) 2.278 29.553 ( -3.506 -2.024 -6.098) 7.319 29.696 ( 2.572 1.485 -5.767) 6.486 30.194 ( 0.687 0.397 6.546) 6.594 30.764 ( -1.381 -0.797 5.940) 6.150 30.767 ( -0.789 -0.455 5.907) 5.977 ======================= Grid point 342 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( -6.123 -3.535 11.084) 13.147 5.407 ( 11.011 6.357 22.063) 25.464 5.793 ( 27.068 15.628 17.861) 35.998 6.488 ( -7.678 -4.433 -3.026) 9.368 6.976 ( 12.517 7.227 -5.370) 15.418 8.301 ( 7.080 4.088 -38.546) 39.403 8.691 ( 18.655 10.770 -34.037) 40.281 8.743 ( 3.285 1.897 1.006) 3.924 9.311 ( 13.347 7.706 -34.980) 38.224 12.081 ( -22.861 -13.199 58.313) 64.010 14.264 ( -18.460 -10.658 17.965) 27.877 14.635 ( -28.854 -16.659 14.633) 36.390 16.268 ( -2.966 -1.713 27.980) 28.189 16.295 ( 7.170 4.139 28.973) 30.133 17.394 ( -13.974 -8.068 -12.056) 20.142 18.351 ( -5.901 -3.407 -3.542) 7.680 18.473 ( -5.188 -2.995 -1.206) 6.111 19.033 ( 2.998 1.731 4.957) 6.046 19.064 ( 4.983 2.877 -12.656) 13.902 19.334 ( -0.778 -0.449 -3.668) 3.776 19.471 ( 10.702 6.179 -0.829) 12.386 20.142 ( 6.895 3.981 -13.396) 15.583 20.163 ( 8.051 4.648 -6.757) 11.493 21.504 ( 3.862 2.230 -16.824) 17.405 21.799 ( -0.600 -0.346 -4.500) 4.553 22.023 ( 3.248 1.875 -6.555) 7.552 22.544 ( 3.506 2.024 -19.490) 19.906 23.680 ( 0.133 0.077 -13.496) 13.497 24.453 ( -3.004 -1.734 10.297) 10.866 24.638 ( 0.360 0.208 7.637) 7.649 25.728 ( -8.452 -4.880 17.907) 20.394 26.242 ( -0.179 -0.103 0.294) 0.359 26.945 ( 0.322 0.186 -0.174) 0.410 27.009 ( 7.240 4.180 -0.207) 8.362 28.902 ( -0.866 -0.500 4.109) 4.229 29.009 ( -0.449 -0.259 6.159) 6.181 29.348 ( -3.752 -2.166 -5.777) 7.221 29.483 ( 1.974 1.140 -3.444) 4.130 29.690 ( 1.822 1.052 -6.989) 7.299 30.260 ( 0.781 0.451 5.114) 5.193 30.762 ( -3.107 -1.794 5.003) 6.157 30.787 ( -1.653 -0.954 5.010) 5.361 ======================= Grid point 343 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( -5.918 -3.417 6.835) 9.665 5.728 ( 2.512 1.450 7.819) 8.340 6.271 ( -8.247 -4.761 3.059) 10.002 6.481 ( 22.953 13.252 10.261) 28.421 7.251 ( 16.670 9.624 -4.350) 19.734 8.213 ( 10.231 5.907 -27.415) 29.852 8.827 ( 1.551 0.896 6.051) 6.310 9.000 ( 30.196 17.434 -19.668) 40.032 9.382 ( 19.065 11.007 -32.837) 39.534 11.974 ( -25.645 -14.806 46.370) 55.019 13.837 ( -44.052 -25.433 -5.565) 51.170 13.977 ( -21.646 -12.497 17.353) 30.428 16.404 ( -5.389 -3.111 25.789) 26.529 16.562 ( -8.131 -4.695 24.365) 26.112 17.287 ( 8.123 4.690 -1.696) 9.532 18.165 ( -7.696 -4.443 0.288) 8.892 18.297 ( -7.369 -4.254 -8.865) 12.288 19.026 ( -7.762 -4.482 7.613) 11.760 19.123 ( 2.646 1.527 1.008) 3.217 19.199 ( 7.164 4.136 -33.307) 34.319 19.780 ( 15.949 9.208 8.528) 20.295 20.222 ( 7.121 4.111 -7.004) 10.801 20.376 ( 9.977 5.760 3.789) 12.127 21.469 ( 5.445 3.144 -15.562) 16.784 21.794 ( 3.470 2.003 -3.200) 5.128 22.035 ( 3.040 1.755 -6.844) 7.692 22.504 ( 6.383 3.685 -15.252) 16.940 23.564 ( -1.441 -0.832 -11.126) 11.249 24.468 ( -3.317 -1.915 9.493) 10.237 24.662 ( -2.053 -1.185 2.226) 3.252 25.735 ( -6.456 -3.727 22.092) 23.315 26.182 ( -3.032 -1.750 -5.556) 6.567 26.952 ( 0.387 0.223 -0.071) 0.452 27.154 ( 6.032 3.482 -0.925) 7.026 28.926 ( -0.249 -0.144 4.496) 4.505 29.053 ( -1.121 -0.647 7.895) 8.000 29.196 ( -3.765 -2.174 -7.954) 9.065 29.527 ( 3.132 1.808 -1.245) 3.825 29.659 ( 1.038 0.599 -7.549) 7.643 30.314 ( 0.744 0.430 3.706) 3.804 30.713 ( -4.643 -2.681 3.490) 6.397 30.779 ( -2.440 -1.409 3.647) 4.609 ======================= Grid point 344 (102/116) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( -7.601 -4.388 4.753) 9.981 5.478 ( -23.897 -13.797 1.058) 27.615 6.366 ( 9.199 5.311 6.127) 12.262 6.872 ( 8.538 4.929 0.067) 9.859 7.627 ( 17.821 10.289 -0.290) 20.580 8.264 ( 8.977 5.183 -12.226) 16.029 8.905 ( -1.861 -1.075 13.021) 13.197 9.491 ( 28.611 16.519 -46.278) 56.861 9.709 ( 31.005 17.901 6.645) 36.413 11.810 ( -22.191 -12.812 38.734) 46.442 12.809 ( -38.015 -21.948 -13.942) 46.056 13.615 ( -24.056 -13.888 14.786) 31.467 16.396 ( -16.669 -9.624 6.181) 20.216 16.459 ( -7.770 -4.486 19.897) 21.826 17.456 ( 6.016 3.473 -3.665) 7.854 18.013 ( -9.644 -5.568 -11.417) 15.949 18.118 ( -1.632 -0.942 13.200) 13.334 18.880 ( -10.761 -6.213 10.999) 16.595 19.142 ( 11.525 6.654 -32.331) 34.962 19.160 ( 2.050 1.184 -4.072) 4.710 20.286 ( 7.851 4.533 2.486) 9.400 20.324 ( 17.583 10.152 9.848) 22.566 20.594 ( 7.883 4.551 0.191) 9.104 21.487 ( 6.861 3.961 -10.950) 13.516 21.907 ( 8.935 5.159 -1.529) 10.431 22.040 ( 2.780 1.605 -7.037) 7.735 22.565 ( 8.830 5.098 -9.772) 14.123 23.424 ( -3.882 -2.241 -8.316) 9.447 24.471 ( -3.450 -1.992 8.911) 9.761 24.594 ( -3.951 -2.281 -1.878) 4.934 25.809 ( -5.371 -3.101 25.041) 25.798 26.020 ( -5.537 -3.197 -10.657) 12.428 26.960 ( 0.325 0.188 -0.023) 0.377 27.243 ( 3.083 1.780 -1.908) 4.039 28.965 ( 0.369 0.213 4.380) 4.401 29.014 ( -3.685 -2.127 -5.328) 6.818 29.149 ( 0.427 0.246 6.485) 6.504 29.585 ( 2.688 1.552 -0.437) 3.134 29.610 ( 0.318 0.184 -7.377) 7.386 30.356 ( 0.648 0.374 2.806) 2.904 30.622 ( -5.562 -3.211 1.678) 6.638 30.745 ( -2.839 -1.639 2.321) 4.017 ======================= Grid point 351 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( 0.000 -7.736 9.879) 12.548 4.989 ( -0.000 -0.317 31.065) 31.066 5.449 ( -0.000 31.197 21.603) 37.946 6.637 ( 0.000 1.700 -4.171) 4.504 6.706 ( 0.000 3.375 -5.685) 6.611 8.160 ( 0.000 -1.719 -42.518) 42.552 8.296 ( 0.000 4.110 -38.856) 39.073 8.729 ( -0.000 12.511 -4.747) 13.381 9.143 ( 0.000 11.467 -31.641) 33.655 12.497 ( -0.000 -16.347 64.339) 66.383 14.641 ( 0.000 -19.018 24.349) 30.896 15.047 ( -0.000 -2.632 27.994) 28.117 16.155 ( -0.000 -0.621 20.811) 20.820 16.291 ( -0.000 1.193 25.196) 25.225 18.003 ( 0.000 -15.721 -27.860) 31.989 18.184 ( 0.000 -9.645 -11.505) 15.013 18.531 ( 0.000 3.249 -9.824) 10.347 18.858 ( 0.000 -5.614 0.825) 5.674 18.962 ( -0.000 0.007 9.396) 9.396 19.347 ( -0.000 19.964 -6.206) 20.906 19.422 ( -0.000 1.206 25.152) 25.181 19.979 ( 0.000 0.768 -19.287) 19.302 20.034 ( 0.000 5.200 -20.814) 21.454 21.440 ( 0.000 3.819 -18.116) 18.514 21.855 ( 0.000 -1.693 -3.364) 3.766 21.938 ( 0.000 1.755 -5.992) 6.243 22.485 ( 0.000 1.401 -21.310) 21.356 23.675 ( 0.000 0.713 -12.723) 12.743 24.515 ( -0.000 -3.208 10.236) 10.727 24.620 ( -0.000 2.351 9.581) 9.866 25.876 ( 0.000 -12.973 12.217) 17.820 26.260 ( -0.000 8.476 5.070) 9.877 26.857 ( -0.000 4.467 -1.223) 4.632 26.939 ( -0.000 0.236 -0.243) 0.339 28.910 ( 0.000 -4.017 4.894) 6.331 29.030 ( -0.000 3.101 6.105) 6.847 29.385 ( -0.000 1.801 -2.123) 2.784 29.496 ( 0.000 -4.281 -7.702) 8.812 29.633 ( 0.000 2.400 -7.312) 7.696 30.248 ( -0.000 0.706 5.643) 5.687 30.807 ( -0.000 -2.023 5.589) 5.944 30.823 ( -0.000 -0.622 5.406) 5.441 ======================= Grid point 352 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( -5.938 -4.976 8.426) 11.446 5.377 ( 13.999 1.652 23.045) 27.014 5.935 ( 4.758 30.800 13.499) 33.963 6.579 ( -5.854 2.827 -1.179) 6.607 6.783 ( 10.352 3.144 -6.112) 12.426 7.901 ( 6.051 3.124 -31.011) 31.749 8.172 ( 15.232 8.150 -31.536) 35.957 8.822 ( 0.546 13.626 -3.619) 14.108 9.051 ( 2.894 16.877 -27.355) 32.273 12.665 ( -12.599 -25.519 49.224) 56.859 14.538 ( -13.153 -21.979 21.946) 33.730 15.020 ( -20.582 -16.455 15.609) 30.627 16.429 ( 10.279 6.384 23.154) 26.125 16.484 ( -0.142 -2.734 21.837) 22.008 17.453 ( -16.738 -10.767 -11.464) 22.968 18.184 ( 14.701 -7.838 -19.223) 25.438 18.445 ( -4.266 0.638 -8.081) 9.160 18.822 ( 1.635 -6.848 1.639) 7.229 19.041 ( 3.011 -1.470 2.667) 4.282 19.465 ( -8.819 -1.902 2.608) 9.391 19.501 ( 1.534 19.188 -3.654) 19.593 19.959 ( 6.004 6.820 -9.569) 13.196 20.050 ( 9.036 6.879 -1.320) 11.433 21.349 ( 1.755 5.445 -17.239) 18.164 21.799 ( -2.147 -0.117 -1.692) 2.736 21.931 ( 2.960 0.876 -5.816) 6.585 22.357 ( 2.398 3.193 -18.043) 18.480 23.585 ( -0.158 0.358 -9.873) 9.881 24.551 ( -1.517 -3.198 9.079) 9.744 24.701 ( -0.470 0.915 5.390) 5.487 25.851 ( -1.194 -11.299 13.715) 17.810 26.313 ( -3.910 5.626 -1.114) 6.941 26.942 ( 0.348 0.507 -0.166) 0.637 26.947 ( 4.942 5.524 -0.413) 7.424 28.918 ( 0.311 -4.269 5.948) 7.328 29.106 ( -1.480 3.038 7.784) 8.486 29.335 ( -3.860 -2.511 -7.212) 8.557 29.428 ( 2.642 1.137 -3.137) 4.256 29.604 ( 1.755 1.515 -8.172) 8.495 30.298 ( 0.230 0.671 4.160) 4.221 30.815 ( -1.397 -3.057 4.394) 5.533 30.844 ( -1.338 -1.228 4.155) 4.534 ======================= Grid point 353 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( -6.223 -4.222 6.389) 9.868 5.765 ( 8.816 6.697 10.129) 15.006 6.319 ( 1.655 6.510 4.179) 7.911 6.518 ( -2.007 9.170 5.429) 10.844 7.016 ( 17.471 9.426 -4.889) 20.445 7.893 ( 11.227 8.337 -18.446) 23.147 8.425 ( 27.477 13.440 -17.615) 35.297 8.942 ( 1.956 14.698 -4.542) 15.508 9.106 ( 7.883 18.714 -18.481) 27.457 12.504 ( -18.539 -25.796 34.335) 46.776 14.058 ( -27.614 -36.082 -0.367) 45.438 14.504 ( -31.554 -12.912 16.927) 38.064 16.595 ( -1.481 -7.065 17.671) 19.089 16.847 ( -0.741 -0.872 26.152) 26.177 17.137 ( 2.001 -3.719 -9.494) 10.390 18.136 ( 5.906 -4.499 -17.507) 19.016 18.284 ( -7.271 -1.822 -4.158) 8.572 18.797 ( 3.378 -4.438 -6.572) 8.619 19.078 ( 3.445 -2.136 -0.428) 4.076 19.298 ( -10.029 1.416 0.550) 10.144 19.758 ( 9.868 17.591 5.495) 20.905 20.086 ( 7.936 7.784 -6.760) 13.011 20.302 ( 9.544 5.263 4.964) 11.977 21.311 ( 3.440 6.739 -14.841) 16.659 21.780 ( -0.130 2.063 0.299) 2.089 21.941 ( 3.228 0.838 -5.914) 6.790 22.330 ( 5.252 5.321 -12.315) 14.406 23.503 ( -1.170 -0.788 -7.010) 7.151 24.563 ( -2.082 -3.377 8.050) 8.975 24.702 ( -2.419 -0.716 0.355) 2.547 25.868 ( 0.092 -10.067 15.564) 18.536 26.241 ( -6.635 4.202 -5.036) 9.330 26.948 ( 0.306 0.366 -0.072) 0.482 27.087 ( 5.712 5.008 -0.983) 7.660 28.940 ( 0.762 -4.064 6.421) 7.638 29.167 ( -4.892 -2.126 -6.824) 8.662 29.174 ( -1.791 2.398 6.981) 7.595 29.479 ( 3.587 1.642 -1.872) 4.367 29.577 ( 1.604 1.367 -7.797) 8.077 30.337 ( 0.372 0.628 2.646) 2.745 30.774 ( -3.244 -3.827 2.691) 5.693 30.829 ( -2.127 -1.967 2.728) 3.979 ======================= Grid point 354 (106/116) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( -6.853 -4.406 4.787) 9.449 5.807 ( -18.205 3.914 0.336) 18.624 6.339 ( 3.705 1.844 6.848) 8.002 6.728 ( 11.386 -0.825 -0.823) 11.445 7.430 ( 19.032 16.203 -1.247) 25.026 8.070 ( 12.190 8.251 -6.685) 16.167 8.890 ( 20.164 20.514 -15.380) 32.618 9.076 ( 3.924 13.986 -8.115) 16.639 9.441 ( 24.995 13.737 6.304) 29.209 12.219 ( -16.129 -15.504 15.207) 27.052 13.118 ( -37.149 -36.779 -1.979) 52.313 14.043 ( -28.668 -16.037 16.966) 36.972 16.517 ( -10.030 -15.361 1.226) 18.386 16.717 ( -12.586 -3.291 8.918) 15.773 17.301 ( 12.568 -3.598 0.620) 13.087 17.989 ( -3.600 -0.669 -14.623) 15.075 18.177 ( 0.254 -7.200 5.070) 8.809 18.745 ( 2.346 0.311 -10.460) 10.724 19.120 ( 0.088 2.059 2.770) 3.453 19.187 ( -6.790 3.364 -0.835) 7.624 20.205 ( 6.036 4.108 -3.735) 8.202 20.245 ( 17.273 16.641 9.952) 25.968 20.502 ( 7.346 4.499 -1.250) 8.704 21.358 ( 6.222 7.701 -6.853) 12.041 21.847 ( 3.745 3.858 1.876) 5.695 21.956 ( 3.359 2.357 -5.896) 7.183 22.419 ( 7.561 7.037 -5.817) 11.854 23.410 ( -2.910 -2.479 -3.585) 5.241 24.552 ( -2.336 -4.287 5.519) 7.368 24.630 ( -3.883 -1.037 -1.370) 4.246 25.875 ( -1.034 -10.154 4.474) 11.144 26.137 ( -6.704 3.275 3.073) 8.069 26.957 ( 0.309 0.312 -0.022) 0.440 27.194 ( 3.710 3.395 -1.665) 5.297 28.963 ( -0.259 -3.938 2.430) 4.634 29.014 ( -2.675 -1.108 -4.578) 5.416 29.246 ( -1.545 2.399 9.520) 9.939 29.511 ( 2.980 -0.111 -6.750) 7.379 29.573 ( 1.455 2.752 -1.848) 3.620 30.369 ( 0.648 0.684 1.466) 1.742 30.685 ( -4.776 -4.278 1.019) 6.492 30.787 ( -2.481 -2.506 1.528) 3.843 ======================= Grid point 362 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.512 ( 0.000 -5.688 4.282) 7.119 5.485 ( -0.000 5.236 20.746) 21.396 6.301 ( -0.000 33.055 4.374) 33.343 6.633 ( 0.000 -1.967 -6.738) 7.020 6.684 ( -0.000 6.927 2.405) 7.333 7.727 ( -0.000 8.872 -11.165) 14.261 7.878 ( 0.000 12.434 -26.666) 29.422 8.912 ( -0.000 14.754 -5.885) 15.884 9.014 ( -0.000 23.441 -22.638) 32.587 12.825 ( 0.000 -35.479 35.434) 50.143 14.581 ( 0.000 -30.639 14.549) 33.918 15.120 ( 0.000 -25.028 5.943) 25.724 16.550 ( -0.000 9.753 15.943) 18.689 16.611 ( -0.000 -5.763 18.697) 19.565 17.509 ( 0.000 -8.990 1.742) 9.157 17.748 ( 0.000 -4.134 -20.325) 20.741 18.448 ( 0.000 0.281 -4.047) 4.057 18.808 ( 0.000 -4.049 6.130) 7.346 18.953 ( 0.000 -7.200 -5.896) 9.306 19.498 ( 0.000 -2.205 -5.207) 5.654 19.661 ( -0.000 20.547 -2.458) 20.694 19.943 ( -0.000 12.490 -10.262) 16.165 20.066 ( -0.000 6.450 13.447) 14.914 21.258 ( 0.000 7.038 -14.986) 16.557 21.820 ( -0.000 0.509 0.533) 0.737 21.861 ( 0.000 0.748 -5.372) 5.424 22.241 ( 0.000 5.374 -13.347) 14.389 23.519 ( 0.000 -0.081 -6.838) 6.838 24.598 ( -0.000 -3.817 7.501) 8.416 24.743 ( -0.000 -0.166 1.551) 1.560 25.860 ( 0.000 -10.502 13.333) 16.972 26.373 ( -0.000 4.084 -5.664) 6.982 26.943 ( -0.000 0.437 -0.112) 0.451 26.964 ( -0.000 6.923 0.532) 6.944 28.926 ( 0.000 -4.933 7.181) 8.712 29.220 ( -0.000 2.731 8.103) 8.551 29.277 ( 0.000 -3.284 -7.788) 8.452 29.390 ( -0.000 2.335 -3.163) 3.931 29.538 ( 0.000 1.995 -7.588) 7.846 30.332 ( -0.000 0.663 2.720) 2.799 30.825 ( 0.000 -4.050 3.152) 5.132 30.869 ( 0.000 -1.965 2.592) 3.252 ======================= Grid point 363 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.450 ( -3.112 -5.932 1.601) 6.887 5.757 ( 8.764 5.596 10.787) 14.983 6.450 ( -3.364 10.246 -4.646) 11.742 6.620 ( -1.957 -2.375 -2.739) 4.119 6.897 ( 9.439 23.014 4.138) 25.216 7.776 ( 1.859 14.434 -6.072) 15.769 8.095 ( 20.711 19.886 -1.477) 28.750 8.997 ( 1.035 14.421 -8.554) 16.799 9.103 ( 2.213 25.304 -14.911) 29.454 12.663 ( -7.649 -34.228 22.222) 41.520 14.092 ( -22.000 -40.893 -4.492) 46.652 14.789 ( -9.438 -26.552 1.985) 28.250 16.649 ( -2.168 -7.762 11.115) 13.730 16.855 ( 10.654 -1.242 11.394) 15.648 17.250 ( -18.337 -3.262 3.252) 18.907 17.807 ( 13.087 0.762 -8.354) 15.545 18.345 ( -6.618 -2.687 -4.894) 8.659 18.785 ( -2.400 -3.933 0.200) 4.612 18.938 ( 8.168 -2.317 2.825) 8.948 19.398 ( -3.583 -2.045 -4.546) 6.139 19.867 ( 3.671 19.411 2.635) 19.930 20.031 ( 3.759 13.061 -5.951) 14.837 20.282 ( 5.078 6.281 7.999) 11.368 21.232 ( 1.704 8.126 -10.563) 13.435 21.821 ( -0.595 2.664 0.652) 2.806 21.860 ( 1.975 0.644 -2.972) 3.626 22.242 ( 2.899 7.612 -6.362) 10.336 23.463 ( -0.652 -1.292 -3.804) 4.070 24.610 ( -1.018 -4.122 5.964) 7.321 24.717 ( -1.368 -1.678 -2.424) 3.250 25.887 ( -0.008 -8.859 13.091) 15.806 26.304 ( -3.107 2.027 -8.901) 9.644 26.948 ( 0.161 0.462 -0.043) 0.492 27.064 ( 3.039 6.430 0.539) 7.132 28.947 ( 0.411 -4.875 7.795) 9.203 29.136 ( -3.362 -2.593 -8.342) 9.360 29.316 ( -1.975 2.968 9.191) 9.858 29.396 ( 3.181 0.778 -6.706) 7.463 29.523 ( 1.408 2.882 -3.554) 4.788 30.356 ( 0.162 0.689 1.235) 1.423 30.790 ( -1.543 -4.935 1.523) 5.390 30.851 ( -1.229 -2.623 1.034) 3.076 ======================= Grid point 364 (109/116) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( -3.477 -6.022 0.000) 6.953 6.002 ( 4.728 8.190 -0.000) 9.457 6.463 ( 1.091 1.889 -0.000) 2.181 6.492 ( -3.464 -6.000 0.000) 6.929 7.339 ( 13.306 23.047 0.000) 26.612 7.966 ( 7.347 12.726 0.000) 14.695 8.745 ( 19.912 34.489 0.000) 39.824 9.099 ( 5.224 9.048 0.000) 10.448 9.319 ( 9.619 16.661 -0.000) 19.238 12.337 ( -11.716 -20.292 0.000) 23.431 13.234 ( -25.448 -44.077 0.000) 50.896 14.336 ( -16.408 -28.419 -0.000) 32.815 16.513 ( -8.511 -14.741 0.000) 17.022 16.925 ( -4.456 -7.718 -0.000) 8.911 17.068 ( -0.346 -0.598 0.000) 0.691 17.929 ( 2.685 4.651 0.000) 5.370 18.152 ( -5.219 -9.039 -0.000) 10.437 18.735 ( -0.661 -1.146 0.000) 1.323 19.107 ( 4.296 7.441 0.000) 8.592 19.292 ( -2.408 -4.170 -0.000) 4.815 20.152 ( 3.857 6.680 0.000) 7.713 20.226 ( 11.561 20.025 -0.000) 23.122 20.451 ( 3.989 6.909 0.000) 7.978 21.314 ( 5.186 8.982 0.000) 10.371 21.868 ( 0.261 0.453 -0.000) 0.523 21.891 ( 3.662 6.343 0.000) 7.324 22.364 ( 5.199 9.005 -0.000) 10.399 23.407 ( -1.730 -2.997 0.000) 3.460 24.571 ( -2.659 -4.606 -0.000) 5.318 24.656 ( -1.285 -2.226 0.000) 2.570 25.849 ( -4.355 -7.543 0.000) 8.710 26.226 ( -0.409 -0.708 0.000) 0.818 26.955 ( 0.231 0.400 0.000) 0.461 27.170 ( 2.797 4.845 0.000) 5.594 28.956 ( -2.107 -3.649 0.000) 4.214 29.010 ( -1.140 -1.975 -0.000) 2.281 29.359 ( -0.203 -0.352 -0.000) 0.406 29.410 ( 1.688 2.923 0.000) 3.375 29.567 ( 1.711 2.963 -0.000) 3.421 30.373 ( 0.466 0.808 0.000) 0.933 30.709 ( -3.096 -5.362 0.000) 6.192 30.802 ( -1.817 -3.147 0.000) 3.634 ======================= Grid point 374 (110/116) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 0.000 -7.694 -3.188) 8.328 5.768 ( -0.000 -1.808 4.096) 4.477 6.406 ( 0.000 -5.916 -6.061) 8.469 6.684 ( -0.000 14.982 -5.200) 15.859 7.119 ( -0.000 25.376 5.559) 25.978 7.905 ( -0.000 16.679 -3.855) 17.119 8.232 ( -0.000 27.050 28.220) 39.090 9.027 ( -0.000 10.430 -10.482) 14.787 9.239 ( -0.000 31.380 -13.209) 34.047 12.535 ( 0.000 -32.715 9.944) 34.193 13.811 ( 0.000 -50.575 -9.742) 51.505 14.450 ( 0.000 -30.673 -15.484) 34.359 16.716 ( 0.000 -18.314 15.960) 24.292 16.776 ( 0.000 -3.122 -1.494) 3.461 17.407 ( 0.000 6.533 -17.959) 19.110 17.777 ( -0.000 2.926 27.786) 27.939 18.342 ( 0.000 -1.419 -8.724) 8.838 18.680 ( 0.000 -6.208 0.067) 6.208 18.969 ( -0.000 2.033 12.146) 12.315 19.314 ( 0.000 -6.490 -9.908) 11.844 20.027 ( -0.000 19.986 -0.763) 20.001 20.098 ( -0.000 14.466 -3.559) 14.897 20.383 ( -0.000 7.803 6.986) 10.473 21.235 ( -0.000 8.914 -3.757) 9.674 21.814 ( -0.000 3.172 -3.541) 4.754 21.888 ( -0.000 2.223 4.311) 4.850 22.276 ( -0.000 9.385 0.697) 9.411 23.433 ( 0.000 -2.374 -0.606) 2.450 24.624 ( 0.000 -4.307 4.630) 6.324 24.669 ( 0.000 -3.022 -5.789) 6.530 25.932 ( -0.000 -7.183 13.931) 15.674 26.222 ( 0.000 -0.935 -15.735) 15.763 26.951 ( -0.000 0.484 -0.003) 0.484 27.114 ( -0.000 6.377 1.761) 6.616 28.967 ( -0.000 -4.864 8.547) 9.834 29.078 ( 0.000 -2.009 -7.209) 7.484 29.300 ( 0.000 0.381 -9.716) 9.724 29.439 ( -0.000 2.372 9.343) 9.639 29.521 ( -0.000 3.522 -1.090) 3.687 30.366 ( -0.000 0.796 -0.211) 0.823 30.758 ( 0.000 -5.867 0.134) 5.868 30.836 ( 0.000 -3.138 -0.584) 3.192 ======================= Grid point 453 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -0.000 0.000 3.471) 3.471 5.282 ( 0.000 0.000 24.822) 24.822 5.282 ( -0.000 -0.000 24.822) 24.822 6.601 ( 0.000 0.000 -4.827) 4.827 6.601 ( -0.000 -0.000 -4.827) 4.827 7.829 ( 0.000 -0.000 -40.168) 40.168 7.829 ( 0.000 -0.000 -40.168) 40.168 8.655 ( -0.000 0.000 2.454) 2.454 8.823 ( 0.000 -0.000 -23.425) 23.425 13.200 ( -0.000 0.000 58.598) 58.598 15.165 ( 0.000 0.000 27.201) 27.201 15.165 ( -0.000 -0.000 27.201) 27.201 16.394 ( -0.000 0.000 16.041) 16.041 16.394 ( -0.000 -0.000 16.041) 16.041 18.042 ( 0.000 0.000 -26.768) 26.768 18.042 ( -0.000 -0.000 -26.768) 26.768 18.390 ( -0.000 0.000 0.163) 0.163 19.006 ( 0.000 0.000 7.532) 7.532 19.006 ( -0.000 -0.000 7.532) 7.532 19.082 ( 0.000 -0.000 -4.812) 4.812 19.658 ( -0.000 0.000 26.789) 26.789 19.787 ( 0.000 -0.000 -21.051) 21.051 19.787 ( 0.000 -0.000 -21.051) 21.051 21.262 ( 0.000 -0.000 -15.700) 15.700 21.862 ( 0.000 0.000 -3.590) 3.590 21.862 ( -0.000 -0.000 -3.590) 3.590 22.290 ( 0.000 -0.000 -20.362) 20.362 23.577 ( 0.000 -0.000 -9.156) 9.156 24.651 ( -0.000 0.000 8.298) 8.298 24.651 ( -0.000 -0.000 8.298) 8.298 26.152 ( 0.000 0.000 5.799) 5.799 26.152 ( -0.000 -0.000 5.799) 5.799 26.797 ( 0.000 -0.000 -1.335) 1.335 26.935 ( 0.000 -0.000 -0.211) 0.211 29.029 ( 0.000 0.000 7.297) 7.297 29.029 ( 0.000 -0.000 7.297) 7.297 29.350 ( 0.000 -0.000 -1.880) 1.880 29.503 ( 0.000 0.000 -8.869) 8.869 29.503 ( 0.000 -0.000 -8.869) 8.869 30.287 ( -0.000 0.000 4.751) 4.751 30.872 ( -0.000 0.000 4.730) 4.730 30.872 ( -0.000 0.000 4.730) 4.730 ======================= Grid point 454 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.606 ( -6.302 -3.639 4.748) 8.689 5.553 ( 4.935 2.849 14.692) 15.759 5.626 ( 15.887 9.172 18.001) 25.701 6.543 ( -1.171 -0.676 -1.681) 2.157 6.658 ( 7.305 4.218 -5.400) 10.015 7.568 ( 5.433 3.137 -26.834) 27.557 7.707 ( 14.206 8.202 -30.867) 34.955 8.701 ( 4.403 2.542 -16.610) 17.371 8.707 ( 2.974 1.717 1.647) 3.809 13.419 ( -18.214 -10.516 40.886) 45.978 15.061 ( -18.170 -10.491 26.090) 33.480 15.359 ( -16.954 -9.788 10.392) 22.164 16.497 ( 9.961 5.751 15.945) 19.660 16.620 ( 4.393 2.536 10.499) 11.660 17.560 ( -16.156 -9.328 -7.701) 20.182 18.029 ( 8.194 4.731 -26.452) 28.094 18.390 ( -1.124 -0.649 -1.846) 2.257 18.972 ( -5.185 -2.994 3.370) 6.871 19.033 ( 0.990 0.571 0.410) 1.214 19.221 ( 9.356 5.402 -0.975) 10.848 19.537 ( -7.459 -4.306 -5.262) 10.093 19.715 ( 8.639 4.988 -13.543) 16.820 19.982 ( 9.075 5.240 10.992) 15.187 21.166 ( 1.858 1.073 -12.193) 12.380 21.800 ( -1.909 -1.102 -1.036) 2.436 21.872 ( 1.984 1.145 -3.979) 4.591 22.163 ( 2.710 1.565 -15.670) 15.980 23.515 ( 0.083 0.048 -6.087) 6.088 24.668 ( -2.296 -1.326 7.261) 7.730 24.730 ( 0.141 0.081 3.875) 3.878 26.096 ( -4.216 -2.434 9.081) 10.304 26.232 ( -0.369 -0.213 -1.712) 1.764 26.852 ( 5.513 3.183 -0.730) 6.407 26.936 ( 0.222 0.128 -0.135) 0.290 29.039 ( -2.399 -1.385 7.855) 8.329 29.136 ( 0.800 0.462 8.796) 8.844 29.318 ( -3.534 -2.040 -6.848) 7.972 29.385 ( 1.473 0.851 -3.614) 3.994 29.494 ( 2.939 1.697 -9.571) 10.155 30.323 ( 0.195 0.113 3.170) 3.178 30.888 ( -1.763 -1.018 3.182) 3.777 30.893 ( -1.125 -0.649 3.365) 3.607 ======================= Grid point 455 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -6.420 -3.707 4.497) 8.671 5.730 ( 4.597 2.654 2.293) 5.782 6.187 ( 22.311 12.881 12.010) 28.424 6.491 ( -4.867 -2.810 3.471) 6.605 6.823 ( 12.228 7.060 -6.639) 15.603 7.613 ( 12.662 7.310 -9.901) 17.658 7.912 ( 24.059 13.891 -23.907) 36.652 8.775 ( 12.608 7.279 -5.276) 15.485 8.817 ( 5.628 3.249 3.039) 7.174 13.143 ( -28.422 -16.410 17.407) 37.150 14.702 ( -38.848 -22.429 -2.655) 44.936 14.823 ( -22.654 -13.079 22.658) 34.607 16.754 ( 1.602 0.925 5.658) 5.953 16.981 ( 15.874 9.165 7.542) 19.821 17.193 ( -16.334 -9.431 7.060) 20.139 17.943 ( 4.694 2.710 -27.652) 28.178 18.335 ( -3.288 -1.898 3.892) 5.437 18.835 ( -7.040 -4.064 -2.279) 8.442 19.025 ( 0.850 0.490 -7.073) 7.140 19.379 ( -6.387 -3.688 4.315) 8.545 19.530 ( 17.929 10.351 6.284) 21.635 19.882 ( 11.991 6.923 -5.792) 15.009 20.237 ( 8.384 4.841 2.780) 10.072 21.140 ( 3.548 2.049 -7.078) 8.178 21.772 ( -0.559 -0.323 1.505) 1.637 21.881 ( 2.015 1.163 -4.237) 4.834 22.156 ( 5.867 3.387 -8.014) 10.494 23.472 ( -0.614 -0.354 -3.054) 3.135 24.674 ( -2.498 -1.442 6.408) 7.027 24.717 ( -2.224 -1.284 -1.236) 2.850 26.125 ( -1.891 -1.092 13.213) 13.392 26.137 ( -4.025 -2.324 -8.028) 9.276 26.942 ( 0.385 0.222 -0.049) 0.447 26.988 ( 6.943 4.009 -1.197) 8.106 29.057 ( -2.116 -1.221 7.810) 8.183 29.142 ( -4.658 -2.689 -9.148) 10.612 29.219 ( -0.243 -0.140 9.269) 9.273 29.441 ( 3.560 2.056 0.197) 4.116 29.471 ( 2.459 1.420 -9.756) 10.161 30.348 ( 0.338 0.195 1.521) 1.571 30.849 ( -3.605 -2.081 1.404) 4.393 30.879 ( -2.102 -1.214 1.808) 3.027 ======================= Grid point 464 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 0.000 -5.104 1.651) 5.364 5.580 ( -0.000 0.907 13.507) 13.537 5.821 ( -0.000 20.956 5.167) 21.583 6.572 ( 0.000 2.410 -4.096) 4.752 6.577 ( -0.000 5.059 0.030) 5.059 7.428 ( -0.000 10.235 -11.236) 15.198 7.443 ( 0.000 9.901 -18.506) 20.988 8.607 ( -0.000 6.837 -9.330) 11.567 8.725 ( -0.000 4.834 0.155) 4.836 13.671 ( 0.000 -24.536 22.784) 33.483 15.233 ( 0.000 -24.690 17.257) 30.123 15.518 ( 0.000 -14.613 -0.539) 14.623 16.503 ( -0.000 7.038 11.006) 13.064 16.695 ( -0.000 9.926 4.072) 10.729 17.661 ( 0.000 -4.682 2.520) 5.317 17.689 ( 0.000 -7.905 -17.081) 18.822 18.398 ( -0.000 1.923 -2.514) 3.166 18.949 ( 0.000 -5.487 4.642) 7.187 19.054 ( 0.000 -6.628 -2.648) 7.137 19.246 ( -0.000 16.487 -2.954) 16.750 19.487 ( 0.000 -1.292 -5.277) 5.433 19.642 ( -0.000 10.809 -7.891) 13.383 20.054 ( -0.000 5.238 10.217) 11.481 21.088 ( 0.000 2.036 -6.676) 6.980 21.816 ( -0.000 0.259 0.353) 0.438 21.824 ( 0.000 -0.256 -2.859) 2.870 22.057 ( 0.000 3.492 -8.915) 9.574 23.477 ( 0.000 0.103 -3.032) 3.034 24.715 ( -0.000 -2.552 4.825) 5.458 24.756 ( -0.000 -0.149 0.826) 0.839 26.115 ( 0.000 -6.993 7.035) 9.920 26.263 ( -0.000 2.795 -3.904) 4.802 26.842 ( -0.000 5.668 -0.024) 5.668 26.935 ( -0.000 0.268 -0.071) 0.278 29.090 ( -0.000 -5.036 8.824) 10.160 29.237 ( -0.000 2.756 8.055) 8.513 29.272 ( 0.000 -3.107 -7.840) 8.434 29.334 ( 0.000 0.873 -2.901) 3.030 29.417 ( 0.000 3.711 -7.839) 8.673 30.343 ( -0.000 0.180 1.607) 1.617 30.907 ( 0.000 -2.216 1.811) 2.862 30.917 ( 0.000 -1.185 1.559) 1.958 ======================= Grid point 465 (115/116) ======================= q-point: (-0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.567 ( -3.202 -5.546 0.000) 6.404 5.710 ( 2.796 4.842 0.000) 5.591 6.113 ( 10.855 18.801 0.000) 21.710 6.632 ( 1.082 1.874 0.000) 2.164 6.633 ( 4.389 7.602 -0.000) 8.778 7.492 ( 6.134 10.625 0.000) 12.269 7.666 ( 12.063 20.895 0.000) 24.127 8.687 ( 6.110 10.583 0.000) 12.220 8.806 ( 3.876 6.714 0.000) 7.753 13.374 ( -16.411 -28.424 0.000) 32.821 14.821 ( -21.044 -36.450 0.000) 42.089 15.209 ( -10.393 -18.001 0.000) 20.786 16.684 ( 2.573 4.456 0.000) 5.145 16.914 ( 6.054 10.486 0.000) 12.108 17.371 ( -7.700 -13.337 0.000) 15.401 17.741 ( 1.647 2.852 0.000) 3.294 18.373 ( -1.169 -2.025 0.000) 2.339 18.885 ( -3.585 -6.209 0.000) 7.169 18.994 ( -1.072 -1.857 0.000) 2.144 19.371 ( 2.785 4.823 0.000) 5.569 19.527 ( 6.052 10.482 0.000) 12.103 19.777 ( 6.668 11.549 0.000) 13.335 20.195 ( 3.774 6.537 0.000) 7.549 21.094 ( 1.720 2.979 0.000) 3.439 21.797 ( -0.096 -0.167 0.000) 0.193 21.838 ( 0.555 0.961 0.000) 1.110 22.087 ( 3.094 5.359 0.000) 6.188 23.463 ( -0.192 -0.333 0.000) 0.384 24.710 ( -1.526 -2.643 0.000) 3.051 24.730 ( -0.894 -1.548 0.000) 1.787 26.091 ( -3.131 -5.423 0.000) 6.262 26.228 ( 0.213 0.369 0.000) 0.426 26.940 ( 3.800 6.582 0.000) 7.601 26.940 ( 0.208 0.360 0.000) 0.416 29.112 ( -2.464 -4.267 0.000) 4.927 29.114 ( -2.018 -3.495 -0.000) 4.035 29.324 ( 0.939 1.626 0.000) 1.877 29.342 ( 0.764 1.322 -0.000) 1.527 29.436 ( 2.227 3.857 -0.000) 4.454 30.353 ( 0.153 0.265 0.000) 0.306 30.874 ( -1.829 -3.167 0.000) 3.657 30.899 ( -1.079 -1.869 0.000) 2.158 ======================= Grid point 573 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.705 ( -0.000 0.000 0.000) 0.000 5.637 ( -0.000 0.000 0.000) 0.000 5.637 ( -0.000 -0.000 0.000) 0.000 6.522 ( -0.000 0.000 0.000) 0.000 6.522 ( -0.000 -0.000 0.000) 0.000 7.265 ( -0.000 0.000 0.000) 0.000 7.265 ( -0.000 -0.000 0.000) 0.000 8.516 ( -0.000 0.000 0.000) 0.000 8.684 ( -0.000 0.000 0.000) 0.000 14.014 ( -0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 -0.000) 0.000 15.655 ( -0.000 -0.000 -0.000) 0.000 16.481 ( 0.000 0.000 0.000) 0.000 16.481 ( -0.000 -0.000 0.000) 0.000 17.716 ( 0.000 0.000 0.000) 0.000 17.716 ( -0.000 -0.000 0.000) 0.000 18.360 ( -0.000 0.000 0.000) 0.000 19.008 ( -0.000 0.000 0.000) 0.000 19.116 ( -0.000 0.000 0.000) 0.000 19.116 ( -0.000 -0.000 0.000) 0.000 19.472 ( 0.000 0.000 0.000) 0.000 19.472 ( -0.000 -0.000 0.000) 0.000 20.047 ( -0.000 0.000 0.000) 0.000 21.044 ( -0.000 0.000 0.000) 0.000 21.815 ( -0.000 0.000 0.000) 0.000 21.815 ( -0.000 0.000 0.000) 0.000 21.982 ( -0.000 0.000 0.000) 0.000 23.464 ( -0.000 0.000 0.000) 0.000 24.761 ( -0.000 0.000 0.000) 0.000 24.761 ( -0.000 0.000 0.000) 0.000 26.218 ( -0.000 0.000 0.000) 0.000 26.218 ( -0.000 0.000 0.000) 0.000 26.780 ( -0.000 0.000 0.000) 0.000 26.932 ( -0.000 0.000 0.000) 0.000 29.247 ( -0.000 0.000 0.000) 0.000 29.247 ( -0.000 -0.000 0.000) 0.000 29.266 ( 0.000 0.000 -0.000) 0.000 29.266 ( 0.000 -0.000 -0.000) 0.000 29.324 ( -0.000 0.000 0.000) 0.000 30.349 ( -0.000 0.000 0.000) 0.000 30.936 ( -0.000 0.000 0.000) 0.000 30.936 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/42000 10.0 1310.699 1310.699 1453.535 0.000 -0.000 0.000 3/42000 20.0 8124.548 8124.548 9308.092 0.000 -0.000 0.000 3/42000 30.0 8285.655 8285.655 9873.098 0.000 -0.000 0.000 3/42000 40.0 5454.426 5454.426 6655.578 0.000 -0.000 0.000 3/42000 50.0 3619.333 3619.333 4415.427 0.000 -0.000 0.000 3/42000 60.0 2547.120 2547.120 3075.350 0.000 -0.000 0.000 3/42000 70.0 1896.158 1896.158 2246.035 0.000 -0.000 0.000 3/42000 80.0 1472.536 1472.536 1706.002 0.000 -0.000 0.000 3/42000 90.0 1177.575 1177.575 1336.509 0.000 -0.000 0.000 3/42000 100.0 961.214 961.214 1072.463 0.000 -0.000 0.000 3/42000 110.0 796.596 796.596 876.879 0.000 -0.000 0.000 3/42000 120.0 668.191 668.191 727.869 0.000 -0.000 0.000 3/42000 130.0 566.309 566.309 611.887 0.000 -0.000 0.000 3/42000 140.0 484.479 484.479 520.143 0.000 -0.000 0.000 3/42000 150.0 418.138 418.138 446.661 0.000 -0.000 0.000 3/42000 160.0 363.928 363.928 387.207 0.000 -0.000 0.000 3/42000 170.0 319.314 319.314 338.680 0.000 -0.000 0.000 3/42000 180.0 282.344 282.344 298.752 0.000 -0.000 0.000 3/42000 190.0 251.501 251.501 265.646 0.000 -0.000 0.000 3/42000 200.0 225.595 225.595 237.989 0.000 -0.000 0.000 3/42000 210.0 203.689 203.689 214.714 0.000 -0.000 0.000 3/42000 220.0 185.042 185.042 194.985 0.000 -0.000 0.000 3/42000 230.0 169.064 169.064 178.144 0.000 -0.000 0.000 3/42000 240.0 155.287 155.287 163.669 0.000 -0.000 0.000 3/42000 250.0 143.334 143.334 151.145 0.000 -0.000 0.000 3/42000 260.0 132.903 132.903 140.242 0.000 -0.000 0.000 3/42000 270.0 123.747 123.747 130.692 0.000 -0.000 0.000 3/42000 280.0 115.668 115.668 122.279 0.000 -0.000 0.000 3/42000 290.0 108.503 108.503 114.828 0.000 -0.000 0.000 3/42000 300.0 102.117 102.117 108.196 0.000 -0.000 0.000 3/42000 310.0 96.399 96.399 102.262 0.000 -0.000 0.000 3/42000 320.0 91.257 91.257 96.930 0.000 -0.000 0.000 3/42000 330.0 86.614 86.614 92.118 0.000 -0.000 0.000 3/42000 340.0 82.405 82.405 87.758 0.000 -0.000 0.000 3/42000 350.0 78.576 78.576 83.791 0.000 -0.000 0.000 3/42000 360.0 75.080 75.080 80.170 0.000 -0.000 0.000 3/42000 370.0 71.878 71.878 76.853 0.000 -0.000 0.000 3/42000 380.0 68.936 68.936 73.805 0.000 -0.000 0.000 3/42000 390.0 66.225 66.225 70.995 0.000 -0.000 0.000 3/42000 400.0 63.719 63.719 68.398 0.000 -0.000 0.000 3/42000 410.0 61.398 61.398 65.991 0.000 -0.000 0.000 3/42000 420.0 59.242 59.242 63.753 0.000 -0.000 0.000 3/42000 430.0 57.234 57.234 61.669 0.000 -0.000 0.000 3/42000 440.0 55.361 55.361 59.723 0.000 -0.000 0.000 3/42000 450.0 53.610 53.610 57.903 0.000 -0.000 0.000 3/42000 460.0 51.968 51.968 56.195 0.000 -0.000 0.000 3/42000 470.0 50.428 50.428 54.591 0.000 -0.000 0.000 3/42000 480.0 48.978 48.978 53.082 0.000 -0.000 0.000 3/42000 490.0 47.613 47.613 51.658 0.000 -0.000 0.000 3/42000 500.0 46.325 46.325 50.314 0.000 -0.000 0.000 3/42000 510.0 45.107 45.107 49.042 0.000 -0.000 0.000 3/42000 520.0 43.954 43.954 47.837 0.000 -0.000 0.000 3/42000 530.0 42.861 42.861 46.694 0.000 -0.000 0.000 3/42000 540.0 41.824 41.824 45.608 0.000 -0.000 0.000 3/42000 550.0 40.837 40.837 44.575 0.000 -0.000 0.000 3/42000 560.0 39.899 39.899 43.590 0.000 -0.000 0.000 3/42000 570.0 39.004 39.004 42.651 0.000 -0.000 0.000 3/42000 580.0 38.151 38.151 41.755 0.000 -0.000 0.000 3/42000 590.0 37.336 37.336 40.898 0.000 -0.000 0.000 3/42000 600.0 36.557 36.557 40.078 0.000 -0.000 0.000 3/42000 610.0 35.811 35.811 39.293 0.000 -0.000 0.000 3/42000 620.0 35.097 35.097 38.540 0.000 -0.000 0.000 3/42000 630.0 34.412 34.412 37.817 0.000 -0.000 0.000 3/42000 640.0 33.755 33.755 37.123 0.000 -0.000 0.000 3/42000 650.0 33.124 33.124 36.456 0.000 -0.000 0.000 3/42000 660.0 32.517 32.517 35.814 0.000 -0.000 0.000 3/42000 670.0 31.933 31.933 35.196 0.000 -0.000 0.000 3/42000 680.0 31.371 31.371 34.600 0.000 -0.000 0.000 3/42000 690.0 30.829 30.829 34.025 0.000 -0.000 0.000 3/42000 700.0 30.307 30.307 33.471 0.000 -0.000 0.000 3/42000 710.0 29.803 29.803 32.935 0.000 -0.000 0.000 3/42000 720.0 29.316 29.316 32.418 0.000 -0.000 0.000 3/42000 730.0 28.846 28.846 31.918 0.000 -0.000 0.000 3/42000 740.0 28.392 28.392 31.434 0.000 -0.000 0.000 3/42000 750.0 27.952 27.952 30.965 0.000 -0.000 0.000 3/42000 760.0 27.526 27.526 30.511 0.000 -0.000 0.000 3/42000 770.0 27.114 27.114 30.071 0.000 -0.000 0.000 3/42000 780.0 26.715 26.715 29.644 0.000 -0.000 0.000 3/42000 790.0 26.328 26.328 29.230 0.000 -0.000 0.000 3/42000 800.0 25.952 25.952 28.829 0.000 -0.000 0.000 3/42000 810.0 25.587 25.587 28.438 0.000 -0.000 0.000 3/42000 820.0 25.234 25.234 28.059 0.000 -0.000 0.000 3/42000 830.0 24.890 24.890 27.691 0.000 -0.000 0.000 3/42000 840.0 24.556 24.556 27.332 0.000 -0.000 0.000 3/42000 850.0 24.231 24.231 26.984 0.000 -0.000 0.000 3/42000 860.0 23.915 23.915 26.644 0.000 -0.000 0.000 3/42000 870.0 23.608 23.608 26.314 0.000 -0.000 0.000 3/42000 880.0 23.309 23.309 25.992 0.000 -0.000 0.000 3/42000 890.0 23.017 23.017 25.678 0.000 -0.000 0.000 3/42000 900.0 22.734 22.734 25.373 0.000 -0.000 0.000 3/42000 910.0 22.457 22.457 25.074 0.000 -0.000 0.000 3/42000 920.0 22.187 22.187 24.784 0.000 -0.000 0.000 3/42000 930.0 21.924 21.924 24.500 0.000 -0.000 0.000 3/42000 940.0 21.668 21.668 24.223 0.000 -0.000 0.000 3/42000 950.0 21.418 21.418 23.952 0.000 -0.000 0.000 3/42000 960.0 21.173 21.173 23.688 0.000 -0.000 0.000 3/42000 970.0 20.935 20.935 23.430 0.000 -0.000 0.000 3/42000 980.0 20.702 20.702 23.178 0.000 -0.000 0.000 3/42000 990.0 20.474 20.474 22.931 0.000 -0.000 0.000 3/42000 1000.0 20.252 20.252 22.690 0.000 -0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:36:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|