# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5b18521d-23a9-4cf7-87e3-f06ca21390c3/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ca3VN3 / Cmcm (63) / materials id 9029](https://mdr.nims.go.jp/datasets/377993f5-eea0-4708-8959-5c212c849dcb) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:10:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 4.215660350000000 -5.128425804999999 0.000000000000000 b 4.215660350000000 5.128425804999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.022060490000001Atomic positions (fractional): *1 N 0.81854237361128 0.57094244165345 0.25000000000000 14.007 2 N 0.18145762638872 0.42905755834655 0.75000000000000 14.007 *3 N 0.87308107192876 0.12691892807124 0.25000000000000 14.007 4 N 0.12691892807124 0.87308107192876 0.75000000000000 14.007 5 N 0.42905755834655 0.18145762638872 0.25000000000000 14.007 6 N 0.57094244165345 0.81854237361128 0.75000000000000 14.007 *7 Ca 0.59778744473644 0.82869929582935 0.25000000000000 40.078 8 Ca 0.40221255526356 0.17130070417065 0.75000000000000 40.078 *9 Ca 0.89126951720588 0.10873048279412 0.75000000000000 40.078 10 Ca 0.10873048279412 0.89126951720588 0.25000000000000 40.078 11 Ca 0.82869929582935 0.59778744473644 0.75000000000000 40.078 12 Ca 0.17130070417065 0.40221255526356 0.25000000000000 40.078 *13 V 0.30317722147911 0.69682277852089 0.75000000000000 50.941 14 V 0.69682277852089 0.30317722147911 0.25000000000000 50.941-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.431320700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.256851609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.022060490000001Atomic positions (fractional): *1 N 0.69474240763236 0.87620003402108 0.25000000000000 14.007 > 1 2 N 0.30525759236764 0.12379996597892 0.75000000000000 14.007 > 2 *3 N 0.50000000000000 0.62691892807124 0.25000000000000 14.007 > 3 4 N 0.50000000000000 0.37308107192876 0.75000000000000 14.007 > 4 5 N 0.30525759236764 0.87620003402108 0.25000000000000 14.007 > 5 6 N 0.69474240763236 0.12379996597892 0.75000000000000 14.007 > 6 7 N 0.19474240763236 0.37620003402108 0.25000000000000 14.007 > 1 8 N 0.80525759236764 0.62379996597892 0.75000000000000 14.007 > 2 9 N 0.00000000000000 0.12691892807124 0.25000000000000 14.007 > 3 10 N 0.00000000000000 0.87308107192876 0.75000000000000 14.007 > 4 11 N 0.80525759236764 0.37620003402108 0.25000000000000 14.007 > 5 12 N 0.19474240763236 0.62379996597892 0.75000000000000 14.007 > 6 *13 Ca 0.71324337028290 0.11545592554646 0.25000000000000 40.078 > 7 14 Ca 0.28675662971710 0.88454407445354 0.75000000000000 40.078 > 8 *15 Ca 0.50000000000000 0.60873048279412 0.75000000000000 40.078 > 9 16 Ca 0.50000000000000 0.39126951720588 0.25000000000000 40.078 > 10 17 Ca 0.71324337028290 0.88454407445354 0.75000000000000 40.078 > 11 18 Ca 0.28675662971710 0.11545592554646 0.25000000000000 40.078 > 12 19 Ca 0.21324337028290 0.61545592554646 0.25000000000000 40.078 > 7 20 Ca 0.78675662971710 0.38454407445354 0.75000000000000 40.078 > 8 21 Ca 0.00000000000000 0.10873048279412 0.75000000000000 40.078 > 9 22 Ca 0.00000000000000 0.89126951720588 0.25000000000000 40.078 > 10 23 Ca 0.21324337028290 0.38454407445354 0.75000000000000 40.078 > 11 24 Ca 0.78675662971710 0.61545592554646 0.25000000000000 40.078 > 12 *25 V 0.50000000000000 0.19682277852089 0.75000000000000 50.941 > 13 26 V 0.50000000000000 0.80317722147911 0.25000000000000 50.941 > 14 27 V 0.00000000000000 0.69682277852089 0.75000000000000 50.941 > 13 28 V 0.00000000000000 0.30317722147911 0.25000000000000 50.941 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 16.862641400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.256851609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.044120980000002Atomic positions (fractional): *1 N 0.34737120381618 0.87620003402108 0.12500000000000 14.007 > 1 2 N 0.84737120381618 0.87620003402108 0.12500000000000 14.007 > 1 3 N 0.34737120381618 0.87620003402108 0.62500000000000 14.007 > 1 4 N 0.84737120381618 0.87620003402108 0.62500000000000 14.007 > 1 5 N 0.15262879618382 0.12379996597892 0.37500000000000 14.007 > 2 6 N 0.65262879618382 0.12379996597892 0.37500000000000 14.007 > 2 7 N 0.15262879618382 0.12379996597892 0.87500000000000 14.007 > 2 8 N 0.65262879618382 0.12379996597892 0.87500000000000 14.007 > 2 *9 N 0.25000000000000 0.62691892807124 0.12500000000000 14.007 > 3 10 N 0.75000000000000 0.62691892807124 0.12500000000000 14.007 > 3 11 N 0.25000000000000 0.62691892807124 0.62500000000000 14.007 > 3 12 N 0.75000000000000 0.62691892807124 0.62500000000000 14.007 > 3 13 N 0.25000000000000 0.37308107192876 0.37500000000000 14.007 > 4 14 N 0.75000000000000 0.37308107192876 0.37500000000000 14.007 > 4 15 N 0.25000000000000 0.37308107192876 0.87500000000000 14.007 > 4 16 N 0.75000000000000 0.37308107192876 0.87500000000000 14.007 > 4 17 N 0.15262879618382 0.87620003402108 0.12500000000000 14.007 > 5 18 N 0.65262879618382 0.87620003402108 0.12500000000000 14.007 > 5 19 N 0.15262879618382 0.87620003402108 0.62500000000000 14.007 > 5 20 N 0.65262879618382 0.87620003402108 0.62500000000000 14.007 > 5 21 N 0.34737120381618 0.12379996597892 0.37500000000000 14.007 > 6 22 N 0.84737120381618 0.12379996597892 0.37500000000000 14.007 > 6 23 N 0.34737120381618 0.12379996597892 0.87500000000000 14.007 > 6 24 N 0.84737120381618 0.12379996597892 0.87500000000000 14.007 > 6 25 N 0.09737120381618 0.37620003402108 0.12500000000000 14.007 > 1 26 N 0.59737120381618 0.37620003402108 0.12500000000000 14.007 > 1 27 N 0.09737120381618 0.37620003402108 0.62500000000000 14.007 > 1 28 N 0.59737120381618 0.37620003402108 0.62500000000000 14.007 > 1 29 N 0.40262879618382 0.62379996597892 0.37500000000000 14.007 > 2 30 N 0.90262879618382 0.62379996597892 0.37500000000000 14.007 > 2 31 N 0.40262879618382 0.62379996597892 0.87500000000000 14.007 > 2 32 N 0.90262879618382 0.62379996597892 0.87500000000000 14.007 > 2 33 N 0.00000000000000 0.12691892807124 0.12500000000000 14.007 > 3 34 N 0.50000000000000 0.12691892807124 0.12500000000000 14.007 > 3 35 N 0.00000000000000 0.12691892807124 0.62500000000000 14.007 > 3 36 N 0.50000000000000 0.12691892807124 0.62500000000000 14.007 > 3 37 N 0.00000000000000 0.87308107192876 0.37500000000000 14.007 > 4 38 N 0.50000000000000 0.87308107192876 0.37500000000000 14.007 > 4 39 N 0.00000000000000 0.87308107192876 0.87500000000000 14.007 > 4 40 N 0.50000000000000 0.87308107192876 0.87500000000000 14.007 > 4 41 N 0.40262879618382 0.37620003402108 0.12500000000000 14.007 > 5 42 N 0.90262879618382 0.37620003402108 0.12500000000000 14.007 > 5 43 N 0.40262879618382 0.37620003402108 0.62500000000000 14.007 > 5 44 N 0.90262879618382 0.37620003402108 0.62500000000000 14.007 > 5 45 N 0.09737120381618 0.62379996597892 0.37500000000000 14.007 > 6 46 N 0.59737120381618 0.62379996597892 0.37500000000000 14.007 > 6 47 N 0.09737120381618 0.62379996597892 0.87500000000000 14.007 > 6 48 N 0.59737120381618 0.62379996597892 0.87500000000000 14.007 > 6 *49 Ca 0.35662168514145 0.11545592554646 0.12500000000000 40.078 > 7 50 Ca 0.85662168514145 0.11545592554646 0.12500000000000 40.078 > 7 51 Ca 0.35662168514145 0.11545592554646 0.62500000000000 40.078 > 7 52 Ca 0.85662168514145 0.11545592554646 0.62500000000000 40.078 > 7 53 Ca 0.14337831485855 0.88454407445354 0.37500000000000 40.078 > 8 54 Ca 0.64337831485855 0.88454407445354 0.37500000000000 40.078 > 8 55 Ca 0.14337831485855 0.88454407445354 0.87500000000000 40.078 > 8 56 Ca 0.64337831485855 0.88454407445354 0.87500000000000 40.078 > 8 *57 Ca 0.25000000000000 0.60873048279412 0.37500000000000 40.078 > 9 58 Ca 0.75000000000000 0.60873048279412 0.37500000000000 40.078 > 9 59 Ca 0.25000000000000 0.60873048279412 0.87500000000000 40.078 > 9 60 Ca 0.75000000000000 0.60873048279412 0.87500000000000 40.078 > 9 61 Ca 0.25000000000000 0.39126951720588 0.12500000000000 40.078 > 10 62 Ca 0.75000000000000 0.39126951720588 0.12500000000000 40.078 > 10 63 Ca 0.25000000000000 0.39126951720588 0.62500000000000 40.078 > 10 64 Ca 0.75000000000000 0.39126951720588 0.62500000000000 40.078 > 10 65 Ca 0.35662168514145 0.88454407445354 0.37500000000000 40.078 > 11 66 Ca 0.85662168514145 0.88454407445354 0.37500000000000 40.078 > 11 67 Ca 0.35662168514145 0.88454407445354 0.87500000000000 40.078 > 11 68 Ca 0.85662168514145 0.88454407445354 0.87500000000000 40.078 > 11 69 Ca 0.14337831485855 0.11545592554646 0.12500000000000 40.078 > 12 70 Ca 0.64337831485855 0.11545592554646 0.12500000000000 40.078 > 12 71 Ca 0.14337831485855 0.11545592554646 0.62500000000000 40.078 > 12 72 Ca 0.64337831485855 0.11545592554646 0.62500000000000 40.078 > 12 73 Ca 0.10662168514145 0.61545592554646 0.12500000000000 40.078 > 7 74 Ca 0.60662168514145 0.61545592554646 0.12500000000000 40.078 > 7 75 Ca 0.10662168514145 0.61545592554646 0.62500000000000 40.078 > 7 76 Ca 0.60662168514145 0.61545592554646 0.62500000000000 40.078 > 7 77 Ca 0.39337831485855 0.38454407445354 0.37500000000000 40.078 > 8 78 Ca 0.89337831485855 0.38454407445354 0.37500000000000 40.078 > 8 79 Ca 0.39337831485855 0.38454407445354 0.87500000000000 40.078 > 8 80 Ca 0.89337831485855 0.38454407445354 0.87500000000000 40.078 > 8 81 Ca 0.00000000000000 0.10873048279412 0.37500000000000 40.078 > 9 82 Ca 0.50000000000000 0.10873048279412 0.37500000000000 40.078 > 9 83 Ca 0.00000000000000 0.10873048279412 0.87500000000000 40.078 > 9 84 Ca 0.50000000000000 0.10873048279412 0.87500000000000 40.078 > 9 85 Ca 0.00000000000000 0.89126951720588 0.12500000000000 40.078 > 10 86 Ca 0.50000000000000 0.89126951720588 0.12500000000000 40.078 > 10 87 Ca 0.00000000000000 0.89126951720588 0.62500000000000 40.078 > 10 88 Ca 0.50000000000000 0.89126951720588 0.62500000000000 40.078 > 10 89 Ca 0.10662168514145 0.38454407445354 0.37500000000000 40.078 > 11 90 Ca 0.60662168514145 0.38454407445354 0.37500000000000 40.078 > 11 91 Ca 0.10662168514145 0.38454407445354 0.87500000000000 40.078 > 11 92 Ca 0.60662168514145 0.38454407445354 0.87500000000000 40.078 > 11 93 Ca 0.39337831485855 0.61545592554646 0.12500000000000 40.078 > 12 94 Ca 0.89337831485855 0.61545592554646 0.12500000000000 40.078 > 12 95 Ca 0.39337831485855 0.61545592554646 0.62500000000000 40.078 > 12 96 Ca 0.89337831485855 0.61545592554646 0.62500000000000 40.078 > 12 *97 V 0.25000000000000 0.19682277852089 0.37500000000000 50.941 > 13 98 V 0.75000000000000 0.19682277852089 0.37500000000000 50.941 > 13 99 V 0.25000000000000 0.19682277852089 0.87500000000000 50.941 > 13 100 V 0.75000000000000 0.19682277852089 0.87500000000000 50.941 > 13 101 V 0.25000000000000 0.80317722147911 0.12500000000000 50.941 > 14 102 V 0.75000000000000 0.80317722147911 0.12500000000000 50.941 > 14 103 V 0.25000000000000 0.80317722147911 0.62500000000000 50.941 > 14 104 V 0.75000000000000 0.80317722147911 0.62500000000000 50.941 > 14 105 V 0.00000000000000 0.69682277852089 0.37500000000000 50.941 > 13 106 V 0.50000000000000 0.69682277852089 0.37500000000000 50.941 > 13 107 V 0.00000000000000 0.69682277852089 0.87500000000000 50.941 > 13 108 V 0.50000000000000 0.69682277852089 0.87500000000000 50.941 > 13 109 V 0.00000000000000 0.30317722147911 0.12500000000000 50.941 > 14 110 V 0.50000000000000 0.30317722147911 0.12500000000000 50.941 > 14 111 V 0.00000000000000 0.30317722147911 0.62500000000000 50.941 > 14 112 V 0.50000000000000 0.30317722147911 0.62500000000000 50.941 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.8575267 0.0000000 0.0000000 0.0000000 6.4256224 0.0000000 0.0000000 0.0000000 17.1908282-------------------------- Born effective charges -------------------------- 1 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 2 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 3 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 4 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 5 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 6 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 7 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 8 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 9 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 10 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 11 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 12 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 13 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578 14 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578----------------------------------------------------------------------------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: 336/336Permutation basis: 8592/8592Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1039Number of blocks in projector: 1039Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 267Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 107Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 89Use standard eigh solver.Tree of FC basis block matrices:- (1039, 1020), data: False|-- (89, 89), data: True|-- (107, 107), data: True|-- (192, 187), data: True|-- (192, 187), data: True|-- (192, 187), data: True|-- (267, 263), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 1.085Solver_block: 200 / 240 - Time: 1.102Solver_block: 240 / 240 - Time: 0.511Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.724--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336Permutation basis: 8592/8592Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1039Number of blocks in projector: 1039Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 267Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 107Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 89Use standard eigh solver.Tree of FC basis block matrices:- (1039, 1020), data: False|-- (89, 89), data: True|-- (107, 107), data: True|-- (192, 187), data: True|-- (192, 187), data: True|-- (192, 187), data: True|-- (267, 263), data: TrueMax 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 23:10:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:10:17]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.215660350000000 -5.128425804999999 0.000000000000000 b 4.215660350000000 5.128425804999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.022060490000001Atomic positions (fractional): 1 N 0.81854237361128 0.57094244165345 0.25000000000000 14.007 2 N 0.18145762638872 0.42905755834655 0.75000000000000 14.007 3 N 0.87308107192876 0.12691892807124 0.25000000000000 14.007 4 N 0.12691892807124 0.87308107192876 0.75000000000000 14.007 5 N 0.42905755834655 0.18145762638872 0.25000000000000 14.007 6 N 0.57094244165345 0.81854237361128 0.75000000000000 14.007 7 Ca 0.59778744473644 0.82869929582935 0.25000000000000 40.078 8 Ca 0.40221255526356 0.17130070417065 0.75000000000000 40.078 9 Ca 0.89126951720588 0.10873048279412 0.75000000000000 40.078 10 Ca 0.10873048279412 0.89126951720588 0.25000000000000 40.078 11 Ca 0.82869929582935 0.59778744473644 0.75000000000000 40.078 12 Ca 0.17130070417065 0.40221255526356 0.25000000000000 40.078 13 V 0.30317722147911 0.69682277852089 0.75000000000000 50.941 14 V 0.69682277852089 0.30317722147911 0.25000000000000 50.941-------------------------------- supercell ---------------------------------Lattice vectors: a 16.862641400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.256851609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.044120980000002Atomic positions (fractional): 1 N 0.34737120381618 0.87620003402108 0.12500000000000 14.007 > 1 2 N 0.84737120381618 0.87620003402108 0.12500000000000 14.007 > 1 3 N 0.34737120381618 0.87620003402108 0.62500000000000 14.007 > 1 4 N 0.84737120381618 0.87620003402108 0.62500000000000 14.007 > 1 5 N 0.15262879618382 0.12379996597892 0.37500000000000 14.007 > 5 6 N 0.65262879618382 0.12379996597892 0.37500000000000 14.007 > 5 7 N 0.15262879618382 0.12379996597892 0.87500000000000 14.007 > 5 8 N 0.65262879618382 0.12379996597892 0.87500000000000 14.007 > 5 9 N 0.25000000000000 0.62691892807124 0.12500000000000 14.007 > 9 10 N 0.75000000000000 0.62691892807124 0.12500000000000 14.007 > 9 11 N 0.25000000000000 0.62691892807124 0.62500000000000 14.007 > 9 12 N 0.75000000000000 0.62691892807124 0.62500000000000 14.007 > 9 13 N 0.25000000000000 0.37308107192876 0.37500000000000 14.007 > 13 14 N 0.75000000000000 0.37308107192876 0.37500000000000 14.007 > 13 15 N 0.25000000000000 0.37308107192876 0.87500000000000 14.007 > 13 16 N 0.75000000000000 0.37308107192876 0.87500000000000 14.007 > 13 17 N 0.15262879618382 0.87620003402108 0.12500000000000 14.007 > 17 18 N 0.65262879618382 0.87620003402108 0.12500000000000 14.007 > 17 19 N 0.15262879618382 0.87620003402108 0.62500000000000 14.007 > 17 20 N 0.65262879618382 0.87620003402108 0.62500000000000 14.007 > 17 21 N 0.34737120381618 0.12379996597892 0.37500000000000 14.007 > 21 22 N 0.84737120381618 0.12379996597892 0.37500000000000 14.007 > 21 23 N 0.34737120381618 0.12379996597892 0.87500000000000 14.007 > 21 24 N 0.84737120381618 0.12379996597892 0.87500000000000 14.007 > 21 25 N 0.09737120381618 0.37620003402108 0.12500000000000 14.007 > 1 26 N 0.59737120381618 0.37620003402108 0.12500000000000 14.007 > 1 27 N 0.09737120381618 0.37620003402108 0.62500000000000 14.007 > 1 28 N 0.59737120381618 0.37620003402108 0.62500000000000 14.007 > 1 29 N 0.40262879618382 0.62379996597892 0.37500000000000 14.007 > 5 30 N 0.90262879618382 0.62379996597892 0.37500000000000 14.007 > 5 31 N 0.40262879618382 0.62379996597892 0.87500000000000 14.007 > 5 32 N 0.90262879618382 0.62379996597892 0.87500000000000 14.007 > 5 33 N 0.00000000000000 0.12691892807124 0.12500000000000 14.007 > 9 34 N 0.50000000000000 0.12691892807124 0.12500000000000 14.007 > 9 35 N 0.00000000000000 0.12691892807124 0.62500000000000 14.007 > 9 36 N 0.50000000000000 0.12691892807124 0.62500000000000 14.007 > 9 37 N 0.00000000000000 0.87308107192876 0.37500000000000 14.007 > 13 38 N 0.50000000000000 0.87308107192876 0.37500000000000 14.007 > 13 39 N 0.00000000000000 0.87308107192876 0.87500000000000 14.007 > 13 40 N 0.50000000000000 0.87308107192876 0.87500000000000 14.007 > 13 41 N 0.40262879618382 0.37620003402108 0.12500000000000 14.007 > 17 42 N 0.90262879618382 0.37620003402108 0.12500000000000 14.007 > 17 43 N 0.40262879618382 0.37620003402108 0.62500000000000 14.007 > 17 44 N 0.90262879618382 0.37620003402108 0.62500000000000 14.007 > 17 45 N 0.09737120381618 0.62379996597892 0.37500000000000 14.007 > 21 46 N 0.59737120381618 0.62379996597892 0.37500000000000 14.007 > 21 47 N 0.09737120381618 0.62379996597892 0.87500000000000 14.007 > 21 48 N 0.59737120381618 0.62379996597892 0.87500000000000 14.007 > 21 49 Ca 0.35662168514145 0.11545592554646 0.12500000000000 40.078 > 49 50 Ca 0.85662168514145 0.11545592554646 0.12500000000000 40.078 > 49 51 Ca 0.35662168514145 0.11545592554646 0.62500000000000 40.078 > 49 52 Ca 0.85662168514145 0.11545592554646 0.62500000000000 40.078 > 49 53 Ca 0.14337831485855 0.88454407445354 0.37500000000000 40.078 > 53 54 Ca 0.64337831485855 0.88454407445354 0.37500000000000 40.078 > 53 55 Ca 0.14337831485855 0.88454407445354 0.87500000000000 40.078 > 53 56 Ca 0.64337831485855 0.88454407445354 0.87500000000000 40.078 > 53 57 Ca 0.25000000000000 0.60873048279412 0.37500000000000 40.078 > 57 58 Ca 0.75000000000000 0.60873048279412 0.37500000000000 40.078 > 57 59 Ca 0.25000000000000 0.60873048279412 0.87500000000000 40.078 > 57 60 Ca 0.75000000000000 0.60873048279412 0.87500000000000 40.078 > 57 61 Ca 0.25000000000000 0.39126951720588 0.12500000000000 40.078 > 61 62 Ca 0.75000000000000 0.39126951720588 0.12500000000000 40.078 > 61 63 Ca 0.25000000000000 0.39126951720588 0.62500000000000 40.078 > 61 64 Ca 0.75000000000000 0.39126951720588 0.62500000000000 40.078 > 61 65 Ca 0.35662168514145 0.88454407445354 0.37500000000000 40.078 > 65 66 Ca 0.85662168514145 0.88454407445354 0.37500000000000 40.078 > 65 67 Ca 0.35662168514145 0.88454407445354 0.87500000000000 40.078 > 65 68 Ca 0.85662168514145 0.88454407445354 0.87500000000000 40.078 > 65 69 Ca 0.14337831485855 0.11545592554646 0.12500000000000 40.078 > 69 70 Ca 0.64337831485855 0.11545592554646 0.12500000000000 40.078 > 69 71 Ca 0.14337831485855 0.11545592554646 0.62500000000000 40.078 > 69 72 Ca 0.64337831485855 0.11545592554646 0.62500000000000 40.078 > 69 73 Ca 0.10662168514145 0.61545592554646 0.12500000000000 40.078 > 49 74 Ca 0.60662168514145 0.61545592554646 0.12500000000000 40.078 > 49 75 Ca 0.10662168514145 0.61545592554646 0.62500000000000 40.078 > 49 76 Ca 0.60662168514145 0.61545592554646 0.62500000000000 40.078 > 49 77 Ca 0.39337831485855 0.38454407445354 0.37500000000000 40.078 > 53 78 Ca 0.89337831485855 0.38454407445354 0.37500000000000 40.078 > 53 79 Ca 0.39337831485855 0.38454407445354 0.87500000000000 40.078 > 53 80 Ca 0.89337831485855 0.38454407445354 0.87500000000000 40.078 > 53 81 Ca 0.00000000000000 0.10873048279412 0.37500000000000 40.078 > 57 82 Ca 0.50000000000000 0.10873048279412 0.37500000000000 40.078 > 57 83 Ca 0.00000000000000 0.10873048279412 0.87500000000000 40.078 > 57 84 Ca 0.50000000000000 0.10873048279412 0.87500000000000 40.078 > 57 85 Ca 0.00000000000000 0.89126951720588 0.12500000000000 40.078 > 61 86 Ca 0.50000000000000 0.89126951720588 0.12500000000000 40.078 > 61 87 Ca 0.00000000000000 0.89126951720588 0.62500000000000 40.078 > 61 88 Ca 0.50000000000000 0.89126951720588 0.62500000000000 40.078 > 61 89 Ca 0.10662168514145 0.38454407445354 0.37500000000000 40.078 > 65 90 Ca 0.60662168514145 0.38454407445354 0.37500000000000 40.078 > 65 91 Ca 0.10662168514145 0.38454407445354 0.87500000000000 40.078 > 65 92 Ca 0.60662168514145 0.38454407445354 0.87500000000000 40.078 > 65 93 Ca 0.39337831485855 0.61545592554646 0.12500000000000 40.078 > 69 94 Ca 0.89337831485855 0.61545592554646 0.12500000000000 40.078 > 69 95 Ca 0.39337831485855 0.61545592554646 0.62500000000000 40.078 > 69 96 Ca 0.89337831485855 0.61545592554646 0.62500000000000 40.078 > 69 97 V 0.25000000000000 0.19682277852089 0.37500000000000 50.941 > 97 98 V 0.75000000000000 0.19682277852089 0.37500000000000 50.941 > 97 99 V 0.25000000000000 0.19682277852089 0.87500000000000 50.941 > 97 100 V 0.75000000000000 0.19682277852089 0.87500000000000 50.941 > 97 101 V 0.25000000000000 0.80317722147911 0.12500000000000 50.941 > 101 102 V 0.75000000000000 0.80317722147911 0.12500000000000 50.941 > 101 103 V 0.25000000000000 0.80317722147911 0.62500000000000 50.941 > 101 104 V 0.75000000000000 0.80317722147911 0.62500000000000 50.941 > 101 105 V 0.00000000000000 0.69682277852089 0.37500000000000 50.941 > 97 106 V 0.50000000000000 0.69682277852089 0.37500000000000 50.941 > 97 107 V 0.00000000000000 0.69682277852089 0.87500000000000 50.941 > 97 108 V 0.50000000000000 0.69682277852089 0.87500000000000 50.941 > 97 109 V 0.00000000000000 0.30317722147911 0.12500000000000 50.941 > 101 110 V 0.50000000000000 0.30317722147911 0.12500000000000 50.941 > 101 111 V 0.00000000000000 0.30317722147911 0.62500000000000 50.941 > 101 112 V 0.50000000000000 0.30317722147911 0.62500000000000 50.941 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.8575267 0.0000000 0.0000000 0.0000000 6.4256224 0.0000000 0.0000000 0.0000000 17.1908282-------------------------- Born effective charges -------------------------- 1 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 2 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 3 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 4 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 5 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 6 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 7 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 8 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 9 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 10 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 11 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 12 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 13 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578 14 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:10:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:10:32]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.215660350000000 -5.128425804999999 0.000000000000000 b 4.215660350000000 5.128425804999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.022060490000001Atomic positions (fractional): 1 N 0.81854237361128 0.57094244165345 0.25000000000000 14.007 2 N 0.18145762638872 0.42905755834655 0.75000000000000 14.007 3 N 0.87308107192876 0.12691892807124 0.25000000000000 14.007 4 N 0.12691892807124 0.87308107192876 0.75000000000000 14.007 5 N 0.42905755834655 0.18145762638872 0.25000000000000 14.007 6 N 0.57094244165345 0.81854237361128 0.75000000000000 14.007 7 Ca 0.59778744473644 0.82869929582935 0.25000000000000 40.078 8 Ca 0.40221255526356 0.17130070417065 0.75000000000000 40.078 9 Ca 0.89126951720588 0.10873048279412 0.75000000000000 40.078 10 Ca 0.10873048279412 0.89126951720588 0.25000000000000 40.078 11 Ca 0.82869929582935 0.59778744473644 0.75000000000000 40.078 12 Ca 0.17130070417065 0.40221255526356 0.25000000000000 40.078 13 V 0.30317722147911 0.69682277852089 0.75000000000000 50.941 14 V 0.69682277852089 0.30317722147911 0.25000000000000 50.941-------------------------------- supercell ---------------------------------Lattice vectors: a 16.862641400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.256851609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.044120980000002Atomic positions (fractional): 1 N 0.34737120381618 0.87620003402108 0.12500000000000 14.007 > 1 2 N 0.84737120381618 0.87620003402108 0.12500000000000 14.007 > 1 3 N 0.34737120381618 0.87620003402108 0.62500000000000 14.007 > 1 4 N 0.84737120381618 0.87620003402108 0.62500000000000 14.007 > 1 5 N 0.15262879618382 0.12379996597892 0.37500000000000 14.007 > 5 6 N 0.65262879618382 0.12379996597892 0.37500000000000 14.007 > 5 7 N 0.15262879618382 0.12379996597892 0.87500000000000 14.007 > 5 8 N 0.65262879618382 0.12379996597892 0.87500000000000 14.007 > 5 9 N 0.25000000000000 0.62691892807124 0.12500000000000 14.007 > 9 10 N 0.75000000000000 0.62691892807124 0.12500000000000 14.007 > 9 11 N 0.25000000000000 0.62691892807124 0.62500000000000 14.007 > 9 12 N 0.75000000000000 0.62691892807124 0.62500000000000 14.007 > 9 13 N 0.25000000000000 0.37308107192876 0.37500000000000 14.007 > 13 14 N 0.75000000000000 0.37308107192876 0.37500000000000 14.007 > 13 15 N 0.25000000000000 0.37308107192876 0.87500000000000 14.007 > 13 16 N 0.75000000000000 0.37308107192876 0.87500000000000 14.007 > 13 17 N 0.15262879618382 0.87620003402108 0.12500000000000 14.007 > 17 18 N 0.65262879618382 0.87620003402108 0.12500000000000 14.007 > 17 19 N 0.15262879618382 0.87620003402108 0.62500000000000 14.007 > 17 20 N 0.65262879618382 0.87620003402108 0.62500000000000 14.007 > 17 21 N 0.34737120381618 0.12379996597892 0.37500000000000 14.007 > 21 22 N 0.84737120381618 0.12379996597892 0.37500000000000 14.007 > 21 23 N 0.34737120381618 0.12379996597892 0.87500000000000 14.007 > 21 24 N 0.84737120381618 0.12379996597892 0.87500000000000 14.007 > 21 25 N 0.09737120381618 0.37620003402108 0.12500000000000 14.007 > 1 26 N 0.59737120381618 0.37620003402108 0.12500000000000 14.007 > 1 27 N 0.09737120381618 0.37620003402108 0.62500000000000 14.007 > 1 28 N 0.59737120381618 0.37620003402108 0.62500000000000 14.007 > 1 29 N 0.40262879618382 0.62379996597892 0.37500000000000 14.007 > 5 30 N 0.90262879618382 0.62379996597892 0.37500000000000 14.007 > 5 31 N 0.40262879618382 0.62379996597892 0.87500000000000 14.007 > 5 32 N 0.90262879618382 0.62379996597892 0.87500000000000 14.007 > 5 33 N 0.00000000000000 0.12691892807124 0.12500000000000 14.007 > 9 34 N 0.50000000000000 0.12691892807124 0.12500000000000 14.007 > 9 35 N 0.00000000000000 0.12691892807124 0.62500000000000 14.007 > 9 36 N 0.50000000000000 0.12691892807124 0.62500000000000 14.007 > 9 37 N 0.00000000000000 0.87308107192876 0.37500000000000 14.007 > 13 38 N 0.50000000000000 0.87308107192876 0.37500000000000 14.007 > 13 39 N 0.00000000000000 0.87308107192876 0.87500000000000 14.007 > 13 40 N 0.50000000000000 0.87308107192876 0.87500000000000 14.007 > 13 41 N 0.40262879618382 0.37620003402108 0.12500000000000 14.007 > 17 42 N 0.90262879618382 0.37620003402108 0.12500000000000 14.007 > 17 43 N 0.40262879618382 0.37620003402108 0.62500000000000 14.007 > 17 44 N 0.90262879618382 0.37620003402108 0.62500000000000 14.007 > 17 45 N 0.09737120381618 0.62379996597892 0.37500000000000 14.007 > 21 46 N 0.59737120381618 0.62379996597892 0.37500000000000 14.007 > 21 47 N 0.09737120381618 0.62379996597892 0.87500000000000 14.007 > 21 48 N 0.59737120381618 0.62379996597892 0.87500000000000 14.007 > 21 49 Ca 0.35662168514145 0.11545592554646 0.12500000000000 40.078 > 49 50 Ca 0.85662168514145 0.11545592554646 0.12500000000000 40.078 > 49 51 Ca 0.35662168514145 0.11545592554646 0.62500000000000 40.078 > 49 52 Ca 0.85662168514145 0.11545592554646 0.62500000000000 40.078 > 49 53 Ca 0.14337831485855 0.88454407445354 0.37500000000000 40.078 > 53 54 Ca 0.64337831485855 0.88454407445354 0.37500000000000 40.078 > 53 55 Ca 0.14337831485855 0.88454407445354 0.87500000000000 40.078 > 53 56 Ca 0.64337831485855 0.88454407445354 0.87500000000000 40.078 > 53 57 Ca 0.25000000000000 0.60873048279412 0.37500000000000 40.078 > 57 58 Ca 0.75000000000000 0.60873048279412 0.37500000000000 40.078 > 57 59 Ca 0.25000000000000 0.60873048279412 0.87500000000000 40.078 > 57 60 Ca 0.75000000000000 0.60873048279412 0.87500000000000 40.078 > 57 61 Ca 0.25000000000000 0.39126951720588 0.12500000000000 40.078 > 61 62 Ca 0.75000000000000 0.39126951720588 0.12500000000000 40.078 > 61 63 Ca 0.25000000000000 0.39126951720588 0.62500000000000 40.078 > 61 64 Ca 0.75000000000000 0.39126951720588 0.62500000000000 40.078 > 61 65 Ca 0.35662168514145 0.88454407445354 0.37500000000000 40.078 > 65 66 Ca 0.85662168514145 0.88454407445354 0.37500000000000 40.078 > 65 67 Ca 0.35662168514145 0.88454407445354 0.87500000000000 40.078 > 65 68 Ca 0.85662168514145 0.88454407445354 0.87500000000000 40.078 > 65 69 Ca 0.14337831485855 0.11545592554646 0.12500000000000 40.078 > 69 70 Ca 0.64337831485855 0.11545592554646 0.12500000000000 40.078 > 69 71 Ca 0.14337831485855 0.11545592554646 0.62500000000000 40.078 > 69 72 Ca 0.64337831485855 0.11545592554646 0.62500000000000 40.078 > 69 73 Ca 0.10662168514145 0.61545592554646 0.12500000000000 40.078 > 49 74 Ca 0.60662168514145 0.61545592554646 0.12500000000000 40.078 > 49 75 Ca 0.10662168514145 0.61545592554646 0.62500000000000 40.078 > 49 76 Ca 0.60662168514145 0.61545592554646 0.62500000000000 40.078 > 49 77 Ca 0.39337831485855 0.38454407445354 0.37500000000000 40.078 > 53 78 Ca 0.89337831485855 0.38454407445354 0.37500000000000 40.078 > 53 79 Ca 0.39337831485855 0.38454407445354 0.87500000000000 40.078 > 53 80 Ca 0.89337831485855 0.38454407445354 0.87500000000000 40.078 > 53 81 Ca 0.00000000000000 0.10873048279412 0.37500000000000 40.078 > 57 82 Ca 0.50000000000000 0.10873048279412 0.37500000000000 40.078 > 57 83 Ca 0.00000000000000 0.10873048279412 0.87500000000000 40.078 > 57 84 Ca 0.50000000000000 0.10873048279412 0.87500000000000 40.078 > 57 85 Ca 0.00000000000000 0.89126951720588 0.12500000000000 40.078 > 61 86 Ca 0.50000000000000 0.89126951720588 0.12500000000000 40.078 > 61 87 Ca 0.00000000000000 0.89126951720588 0.62500000000000 40.078 > 61 88 Ca 0.50000000000000 0.89126951720588 0.62500000000000 40.078 > 61 89 Ca 0.10662168514145 0.38454407445354 0.37500000000000 40.078 > 65 90 Ca 0.60662168514145 0.38454407445354 0.37500000000000 40.078 > 65 91 Ca 0.10662168514145 0.38454407445354 0.87500000000000 40.078 > 65 92 Ca 0.60662168514145 0.38454407445354 0.87500000000000 40.078 > 65 93 Ca 0.39337831485855 0.61545592554646 0.12500000000000 40.078 > 69 94 Ca 0.89337831485855 0.61545592554646 0.12500000000000 40.078 > 69 95 Ca 0.39337831485855 0.61545592554646 0.62500000000000 40.078 > 69 96 Ca 0.89337831485855 0.61545592554646 0.62500000000000 40.078 > 69 97 V 0.25000000000000 0.19682277852089 0.37500000000000 50.941 > 97 98 V 0.75000000000000 0.19682277852089 0.37500000000000 50.941 > 97 99 V 0.25000000000000 0.19682277852089 0.87500000000000 50.941 > 97 100 V 0.75000000000000 0.19682277852089 0.87500000000000 50.941 > 97 101 V 0.25000000000000 0.80317722147911 0.12500000000000 50.941 > 101 102 V 0.75000000000000 0.80317722147911 0.12500000000000 50.941 > 101 103 V 0.25000000000000 0.80317722147911 0.62500000000000 50.941 > 101 104 V 0.75000000000000 0.80317722147911 0.62500000000000 50.941 > 101 105 V 0.00000000000000 0.69682277852089 0.37500000000000 50.941 > 97 106 V 0.50000000000000 0.69682277852089 0.37500000000000 50.941 > 97 107 V 0.00000000000000 0.69682277852089 0.87500000000000 50.941 > 97 108 V 0.50000000000000 0.69682277852089 0.87500000000000 50.941 > 97 109 V 0.00000000000000 0.30317722147911 0.12500000000000 50.941 > 101 110 V 0.50000000000000 0.30317722147911 0.12500000000000 50.941 > 101 111 V 0.00000000000000 0.30317722147911 0.62500000000000 50.941 > 101 112 V 0.50000000000000 0.30317722147911 0.62500000000000 50.941 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.8575267 0.0000000 0.0000000 0.0000000 6.4256224 0.0000000 0.0000000 0.0000000 17.1908282-------------------------- Born effective charges -------------------------- 1 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 2 N -3.4728948 -0.7282592 0.0000000 -0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 3 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 4 N -2.2458882 0.0000000 0.0000000 0.0000000 -3.9631246 0.0000000 0.0000000 0.0000000 -0.8569793 5 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 6 N -3.4728948 0.7282592 0.0000000 0.7072075 -2.1627024 0.0000000 0.0000000 0.0000000 -1.1826264 7 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 8 Ca 1.8928196 0.6661888 0.0000000 0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 9 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 10 Ca 3.0534460 0.0000000 0.0000000 0.0000000 2.4048843 0.0000000 0.0000000 0.0000000 2.9997828 11 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 12 Ca 1.8928196 -0.6661888 0.0000000 -0.3931154 2.1377956 0.0000000 0.0000000 0.0000000 2.9446535 13 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578 14 V 2.3525925 0.0000000 0.0000000 0.0000000 1.6080539 0.0000000 0.0000000 0.0000000 -5.6668578----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 8 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: 0.69, Number of G-points: 305, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/126) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 21.891 ( 0.000 0.000 0.000) 0.000 21.991 ( 0.000 0.000 0.000) 0.000 22.359 ( 0.000 0.000 0.000) 0.000 23.017 ( 0.000 0.000 0.000) 0.000 23.262 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/126) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 29.643 -26.435 0.000) 39.718 0.772 ( 30.241 -25.139 0.000) 39.326 1.355 ( 55.545 -41.994 0.000) 69.633 2.185 ( 13.407 -10.368 0.000) 16.948 4.494 ( 12.353 11.914 0.000) 17.162 4.949 ( -16.080 17.471 0.000) 23.744 5.012 ( -0.290 0.397 0.000) 0.491 5.213 ( -2.878 0.003 0.000) 2.878 5.238 ( 11.580 -9.144 0.000) 14.755 5.648 ( 4.615 7.448 0.000) 8.762 5.776 ( -10.010 11.284 0.000) 15.084 5.854 ( -9.016 -13.973 0.000) 16.629 5.997 ( 2.036 3.471 0.000) 4.024 6.204 ( -2.385 -9.729 0.000) 10.017 6.395 ( -7.101 1.404 0.000) 7.238 6.551 ( 13.973 -2.456 0.000) 14.187 6.618 ( 15.901 7.958 0.000) 17.781 7.133 ( -1.013 1.304 0.000) 1.652 7.286 ( 2.076 -1.553 0.000) 2.593 7.436 ( 4.371 -1.368 0.000) 4.580 7.872 ( 0.426 -0.752 0.000) 0.864 7.891 ( -0.200 -5.357 0.000) 5.361 7.937 ( -0.941 -1.875 0.000) 2.098 8.056 ( 0.960 -1.185 0.000) 1.526 8.463 ( -1.107 4.176 0.000) 4.321 8.553 ( 1.335 5.528 0.000) 5.687 8.786 ( -14.341 -11.274 0.000) 18.242 8.944 ( -5.275 0.018 0.000) 5.275 8.995 ( 0.911 -6.478 0.000) 6.541 9.484 ( -7.777 0.144 0.000) 7.778 9.749 ( 1.699 12.011 0.000) 12.130 10.026 ( -1.077 -15.470 0.000) 15.507 10.802 ( -5.420 4.806 0.000) 7.244 11.169 ( -0.383 -5.191 0.000) 5.205 13.283 ( 2.334 2.037 0.000) 3.098 14.213 ( 15.905 31.210 0.000) 35.029 21.522 ( 2.443 0.615 0.000) 2.519 21.982 ( -3.584 -3.591 0.000) 5.074 22.104 ( -8.759 -17.108 0.000) 19.220 22.979 ( 0.333 6.654 0.000) 6.662 23.270 ( -2.311 -4.407 0.000) 4.977 24.391 ( 15.104 14.820 0.000) 21.161======================= Grid point 2 (3/126) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 26.899 -22.390 0.000) 34.998 1.520 ( 29.106 -25.928 0.000) 38.979 2.557 ( 14.999 -14.353 0.000) 20.760 2.650 ( 52.500 -35.346 0.000) 63.290 4.388 ( -24.071 22.178 0.000) 32.730 4.544 ( 7.700 4.489 0.000) 8.912 4.964 ( -3.563 2.965 0.000) 4.635 5.189 ( -0.342 0.934 0.000) 0.995 5.488 ( -7.133 12.145 0.000) 14.084 5.569 ( 11.020 -6.966 0.000) 13.037 5.644 ( 4.326 4.653 0.000) 6.354 5.875 ( -8.567 -11.287 0.000) 14.170 5.989 ( -0.046 -1.949 0.000) 1.949 6.232 ( -6.467 -4.730 0.000) 8.013 6.275 ( -3.452 0.264 0.000) 3.462 6.756 ( 10.290 -0.041 0.000) 10.290 6.776 ( 15.147 5.340 0.000) 16.061 7.119 ( -0.994 -2.820 0.000) 2.990 7.356 ( 3.968 -2.247 0.000) 4.561 7.533 ( 5.043 -1.869 0.000) 5.378 7.871 ( -1.462 0.468 0.000) 1.535 7.951 ( -1.138 -3.049 0.000) 3.255 7.958 ( 0.268 -4.070 0.000) 4.079 8.122 ( 3.663 -3.961 0.000) 5.395 8.383 ( -0.886 4.954 0.000) 5.032 8.491 ( 1.410 7.723 0.000) 7.851 8.655 ( -7.969 5.393 0.000) 9.622 8.858 ( -6.564 -0.115 0.000) 6.565 9.142 ( 4.844 -11.024 0.000) 12.041 9.326 ( -10.364 3.807 0.000) 11.041 9.587 ( -3.901 8.251 0.000) 9.127 10.244 ( 4.048 -14.051 0.000) 14.622 10.601 ( -9.971 9.005 0.000) 13.435 11.236 ( -1.465 -7.340 0.000) 7.485 13.298 ( 3.808 2.835 0.000) 4.748 14.027 ( 0.893 18.400 0.000) 18.422 21.568 ( 4.378 0.314 0.000) 4.389 21.975 ( -3.218 -3.437 0.000) 4.708 22.197 ( -0.648 -9.094 0.000) 9.117 22.872 ( -2.321 7.957 0.000) 8.288 23.300 ( -1.202 -4.415 0.000) 4.576 24.443 ( 8.504 5.796 0.000) 10.291======================= Grid point 3 (4/126) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 19.568 -16.003 0.000) 25.279 2.254 ( 27.794 -24.730 0.000) 37.203 2.841 ( 6.511 -5.110 0.000) 8.277 3.736 ( -25.803 23.113 0.000) 34.641 3.776 ( 42.400 -29.367 0.000) 51.577 4.604 ( 5.715 3.013 0.000) 6.461 4.861 ( -4.631 0.491 0.000) 4.657 5.176 ( 0.047 0.833 0.000) 0.835 5.280 ( -7.855 4.049 0.000) 8.838 5.517 ( -6.884 16.682 0.000) 18.047 5.654 ( 2.752 2.621 0.000) 3.800 5.881 ( -5.258 -6.636 0.000) 8.466 5.983 ( -4.886 -0.057 0.000) 4.887 6.227 ( -5.652 -6.287 0.000) 8.454 6.399 ( 13.519 -6.658 0.000) 15.070 6.858 ( 4.728 0.939 0.000) 4.820 6.916 ( 8.458 -0.765 0.000) 8.493 7.180 ( 1.326 -5.196 0.000) 5.363 7.443 ( 4.038 -1.393 0.000) 4.271 7.614 ( 2.612 -2.061 0.000) 3.328 7.822 ( -2.541 1.890 0.000) 3.167 7.956 ( -3.842 0.471 0.000) 3.871 7.972 ( -0.884 -2.577 0.000) 2.724 8.236 ( 3.415 -4.930 0.000) 5.998 8.358 ( -0.168 -0.809 0.000) 0.826 8.414 ( 0.567 7.107 0.000) 7.130 8.452 ( -2.822 10.206 0.000) 10.589 8.730 ( -6.683 5.230 0.000) 8.486 9.138 ( -6.428 3.572 0.000) 7.354 9.402 ( 9.414 -12.767 0.000) 15.862 9.468 ( -3.543 2.226 0.000) 4.184 10.307 ( -11.911 11.161 0.000) 16.323 10.447 ( 3.538 -8.586 0.000) 9.286 11.289 ( -1.867 -5.050 0.000) 5.385 13.326 ( 3.526 1.740 0.000) 3.932 13.830 ( -2.616 10.181 0.000) 10.512 21.634 ( 4.049 -0.168 0.000) 4.052 21.968 ( -2.467 -2.226 0.000) 3.323 22.294 ( 1.792 -4.895 0.000) 5.213 22.739 ( -3.544 5.556 0.000) 6.590 23.333 ( -0.210 -2.354 0.000) 2.364 24.491 ( 4.317 2.286 0.000) 4.885======================= Grid point 4 (5/126) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.360 ( 0.000 -0.000 0.000) 0.000 2.815 ( 0.000 -0.000 0.000) 0.000 2.895 ( -0.000 -0.000 0.000) 0.000 3.198 ( -0.000 0.000 0.000) 0.000 4.397 ( 0.000 -0.000 0.000) 0.000 4.632 ( -0.000 -0.000 0.000) 0.000 4.849 ( 0.000 -0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 -0.000 0.000) 0.000 5.659 ( -0.000 -0.000 0.000) 0.000 5.882 ( 0.000 -0.000 0.000) 0.000 5.939 ( 0.000 -0.000 0.000) 0.000 6.219 ( -0.000 -0.000 0.000) 0.000 6.560 ( 0.000 -0.000 0.000) 0.000 6.886 ( 0.000 -0.000 0.000) 0.000 7.021 ( -0.000 -0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.486 ( -0.000 0.000 0.000) 0.000 7.653 ( 0.000 -0.000 0.000) 0.000 7.780 ( 0.000 -0.000 0.000) 0.000 7.898 ( 0.000 -0.000 0.000) 0.000 7.982 ( 0.000 -0.000 0.000) 0.000 8.292 ( 0.000 -0.000 0.000) 0.000 8.323 ( 0.000 -0.000 0.000) 0.000 8.344 ( -0.000 0.000 0.000) 0.000 8.464 ( -0.000 0.000 0.000) 0.000 8.599 ( 0.000 -0.000 0.000) 0.000 9.071 ( 0.000 -0.000 0.000) 0.000 9.428 ( -0.000 -0.000 0.000) 0.000 9.614 ( 0.000 -0.000 0.000) 0.000 10.087 ( -0.000 -0.000 0.000) 0.000 10.530 ( -0.000 -0.000 0.000) 0.000 11.305 ( 0.000 -0.000 0.000) 0.000 13.346 ( -0.000 -0.000 0.000) 0.000 13.741 ( 0.000 -0.000 0.000) 0.000 21.669 ( 0.000 -0.000 0.000) 0.000 21.961 ( -0.000 -0.000 0.000) 0.000 22.345 ( 0.000 -0.000 0.000) 0.000 22.669 ( 0.000 -0.000 0.000) 0.000 23.346 ( 0.000 -0.000 0.000) 0.000 24.510 ( 0.000 -0.000 0.000) 0.000======================= Grid point 10 (6/126) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 38.465 -0.000 0.000) 38.465 1.234 ( 42.126 -0.000 0.000) 42.126 2.083 ( 66.676 -0.000 0.000) 66.676 2.403 ( 23.463 -0.000 0.000) 23.463 4.675 ( 4.768 -0.000 0.000) 4.768 4.896 ( -19.636 0.000 0.000) 19.636 4.945 ( -16.240 0.000 0.000) 16.240 5.218 ( 13.687 -0.000 0.000) 13.687 5.271 ( 5.661 -0.000 0.000) 5.661 5.669 ( -11.562 0.000 0.000) 11.562 5.679 ( 2.836 -0.000 0.000) 2.836 5.767 ( -0.768 0.000 0.000) 0.768 5.969 ( -5.443 0.000 0.000) 5.443 6.148 ( -0.572 0.000 0.000) 0.572 6.354 ( -1.322 0.000 0.000) 1.322 6.787 ( 16.849 -0.000 0.000) 16.849 6.906 ( 14.360 -0.000 0.000) 14.360 7.065 ( -4.763 0.000 0.000) 4.763 7.317 ( 3.519 -0.000 0.000) 3.519 7.507 ( 5.530 -0.000 0.000) 5.530 7.810 ( -2.704 0.000 0.000) 2.704 7.868 ( -0.800 0.000 0.000) 0.800 7.915 ( -0.050 0.000 0.000) 0.050 8.077 ( 3.110 -0.000 0.000) 3.110 8.364 ( -9.944 0.000 0.000) 9.944 8.631 ( 3.656 -0.000 0.000) 3.656 8.645 ( -0.926 0.000 0.000) 0.926 8.868 ( -8.373 0.000 0.000) 8.373 8.959 ( 0.945 -0.000 0.000) 0.945 9.317 ( -12.042 0.000 0.000) 12.042 9.716 ( -8.241 0.000 0.000) 8.241 10.116 ( 16.815 -0.000 0.000) 16.815 10.712 ( -10.472 0.000 0.000) 10.472 11.216 ( 4.916 -0.000 0.000) 4.916 13.321 ( 1.924 -0.000 0.000) 1.924 14.337 ( -14.376 0.000 0.000) 14.376 21.570 ( 3.968 -0.000 0.000) 3.968 21.890 ( 0.323 -0.000 0.000) 0.323 22.078 ( 5.748 -0.000 0.000) 5.748 23.046 ( 0.700 -0.000 0.000) 0.700 23.163 ( -5.866 0.000 0.000) 5.866 24.563 ( 2.027 -0.000 0.000) 2.027======================= Grid point 11 (7/126) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 35.982 -11.136 0.000) 37.666 1.868 ( 38.567 -3.693 0.000) 38.744 2.757 ( 24.456 1.931 0.000) 24.532 3.156 ( 55.653 -19.147 0.000) 58.854 4.330 ( -22.307 24.778 0.000) 33.340 4.727 ( 6.926 4.031 0.000) 8.014 4.907 ( -17.228 -20.323 0.000) 26.642 5.079 ( -6.639 14.653 0.000) 16.086 5.400 ( -4.507 4.723 0.000) 6.529 5.686 ( -2.866 2.655 0.000) 3.907 5.699 ( 10.340 -8.266 0.000) 13.238 5.807 ( 6.487 -2.327 0.000) 6.891 5.929 ( -1.019 -2.405 0.000) 2.612 6.157 ( 0.562 -2.492 0.000) 2.554 6.274 ( -1.367 6.601 0.000) 6.741 6.978 ( 12.551 5.584 0.000) 13.737 7.022 ( -4.942 -3.366 0.000) 5.979 7.067 ( 13.161 5.805 0.000) 14.384 7.393 ( 4.484 -2.303 0.000) 5.040 7.573 ( 2.146 -0.933 0.000) 2.340 7.809 ( -5.793 -9.169 0.000) 10.846 7.840 ( -3.140 -0.030 0.000) 3.140 7.939 ( 2.608 -0.462 0.000) 2.648 8.153 ( 5.195 -1.800 0.000) 5.498 8.230 ( -14.166 -7.359 0.000) 15.964 8.593 ( -8.863 -2.217 0.000) 9.136 8.628 ( 3.555 9.239 0.000) 9.900 8.702 ( -12.292 0.780 0.000) 12.316 9.073 ( 4.929 -12.053 0.000) 13.022 9.151 ( -11.163 -0.654 0.000) 11.182 9.593 ( -3.194 4.718 0.000) 5.697 10.411 ( 22.839 1.930 0.000) 22.920 10.500 ( -14.256 4.183 0.000) 14.857 11.283 ( 6.651 2.707 0.000) 7.180 13.341 ( 0.480 -0.185 0.000) 0.514 14.042 ( -17.335 5.734 0.000) 18.258 21.631 ( 3.680 -0.056 0.000) 3.681 21.918 ( 1.487 -1.464 0.000) 2.087 22.198 ( 7.522 -2.424 0.000) 7.903 22.930 ( -4.282 9.582 0.000) 10.495 23.176 ( -3.797 -9.343 0.000) 10.085 24.567 ( 1.533 2.642 0.000) 3.054======================= Grid point 12 (8/126) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( 31.738 0.042 0.000) 31.738 2.463 ( 32.373 -14.983 0.000) 35.673 2.957 ( 10.176 10.076 0.000) 14.320 3.683 ( -21.861 26.370 0.000) 34.253 4.107 ( 36.907 -18.174 0.000) 41.139 4.767 ( -15.103 6.210 0.000) 16.330 4.838 ( 14.346 1.248 0.000) 14.400 4.911 ( -14.888 -19.446 0.000) 24.491 5.219 ( -4.065 13.382 0.000) 13.986 5.589 ( -9.365 -2.642 0.000) 9.730 5.715 ( -1.978 17.642 0.000) 17.753 5.908 ( -4.102 1.004 0.000) 4.223 5.951 ( 12.447 2.831 0.000) 12.765 6.156 ( 5.068 -0.904 0.000) 5.148 6.454 ( 9.421 -13.049 0.000) 16.095 6.978 ( -2.832 -0.956 0.000) 2.989 7.031 ( 7.646 9.439 0.000) 12.147 7.175 ( 6.374 0.852 0.000) 6.430 7.475 ( 1.884 -1.268 0.000) 2.271 7.610 ( 1.275 -2.569 0.000) 2.868 7.782 ( -4.278 0.009 0.000) 4.278 7.842 ( -4.283 -7.316 0.000) 8.478 7.992 ( 4.259 0.471 0.000) 4.285 8.140 ( -13.901 -13.735 0.000) 19.542 8.246 ( 3.500 -1.986 0.000) 4.024 8.433 ( -14.168 -0.650 0.000) 14.183 8.511 ( -15.789 -4.767 0.000) 16.493 8.536 ( 1.555 11.282 0.000) 11.389 9.023 ( -6.691 -1.696 0.000) 6.903 9.364 ( 9.074 -15.993 0.000) 18.388 9.521 ( 2.014 5.817 0.000) 6.155 10.211 ( -14.929 6.058 0.000) 16.112 10.696 ( 23.957 10.392 0.000) 26.114 11.361 ( 9.536 3.549 0.000) 10.175 13.334 ( -2.581 -0.797 0.000) 2.702 13.741 ( -16.811 0.059 0.000) 16.811 21.664 ( 0.063 -0.312 0.000) 0.319 21.967 ( 4.227 0.441 0.000) 4.250 22.335 ( 7.533 -0.711 0.000) 7.567 22.757 ( -4.206 6.884 0.000) 8.067 23.229 ( -4.101 -8.722 0.000) 9.638 24.544 ( -0.917 2.136 0.000) 2.324======================= Grid point 13 (9/126) =======================q-point: (-0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.672 ( 13.831 29.510 0.000) 32.590 2.862 ( -8.544 18.371 0.000) 20.261 2.877 ( -2.042 -0.971 0.000) 2.261 3.290 ( 17.598 -6.918 0.000) 18.909 4.346 ( -17.765 9.034 0.000) 19.930 4.658 ( 7.394 3.962 0.000) 8.389 4.939 ( -11.505 -17.113 0.000) 20.621 4.966 ( 0.214 10.293 0.000) 10.295 5.173 ( 15.810 -3.638 0.000) 16.223 5.428 ( 3.055 14.204 0.000) 14.529 5.483 ( -13.652 -8.154 0.000) 15.902 5.902 ( -0.748 -5.159 0.000) 5.213 6.096 ( 15.532 7.649 0.000) 17.313 6.276 ( 8.137 0.826 0.000) 8.179 6.553 ( -3.630 3.797 0.000) 5.253 6.979 ( -5.428 -2.063 0.000) 5.807 6.991 ( 3.476 10.410 0.000) 10.976 7.229 ( 1.598 0.018 0.000) 1.598 7.465 ( -2.736 0.539 0.000) 2.788 7.648 ( -1.442 0.229 0.000) 1.460 7.752 ( 0.100 -3.256 0.000) 3.257 7.838 ( -4.387 -5.404 0.000) 6.961 8.044 ( 4.603 2.267 0.000) 5.131 8.195 ( -11.030 -16.085 0.000) 19.504 8.252 ( -6.224 -5.782 0.000) 8.495 8.299 ( 0.341 -2.287 0.000) 2.312 8.412 ( -0.334 10.339 0.000) 10.344 8.421 ( -8.544 -13.815 0.000) 16.244 9.002 ( -2.887 -5.822 0.000) 6.498 9.503 ( 3.188 3.852 0.000) 5.001 9.588 ( -2.157 -1.559 0.000) 2.661 10.036 ( -1.087 -7.110 0.000) 7.193 10.827 ( 18.094 19.685 0.000) 26.737 11.479 ( 15.115 7.985 0.000) 17.094 13.268 ( -8.747 -2.334 0.000) 9.053 13.587 ( -11.254 -9.342 0.000) 14.626 21.636 ( -3.954 -0.038 0.000) 3.954 22.022 ( 4.798 2.227 0.000) 5.290 22.412 ( 5.468 4.313 0.000) 6.964 22.678 ( 0.553 0.776 0.000) 0.953 23.266 ( -4.002 -7.350 0.000) 8.369 24.483 ( -4.460 1.341 0.000) 4.658======================= Grid point 14 (10/126) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( -9.768 35.432 0.000) 36.753 2.253 ( -19.081 32.163 0.000) 37.397 2.818 ( -5.232 9.413 0.000) 10.770 3.679 ( -26.535 40.798 0.000) 48.668 3.881 ( 27.969 -18.682 0.000) 33.634 4.623 ( 1.500 9.058 0.000) 9.182 4.953 ( 5.466 -2.200 0.000) 5.893 4.985 ( -7.994 -13.917 0.000) 16.049 5.280 ( 6.440 2.261 0.000) 6.825 5.390 ( -16.322 -13.549 0.000) 21.212 5.580 ( 9.178 -2.630 0.000) 9.547 6.007 ( 3.215 -7.044 0.000) 7.743 6.217 ( 17.058 12.554 0.000) 21.179 6.256 ( -8.746 4.012 0.000) 9.622 6.456 ( 7.937 10.324 0.000) 13.022 6.785 ( -14.013 5.070 0.000) 14.902 6.881 ( -1.510 10.234 0.000) 10.345 7.198 ( -3.396 2.891 0.000) 4.460 7.403 ( -3.458 1.559 0.000) 3.794 7.580 ( -4.686 1.663 0.000) 4.972 7.824 ( 2.225 -3.289 0.000) 3.971 7.852 ( -10.747 -11.851 0.000) 15.998 8.060 ( 3.155 5.019 0.000) 5.929 8.143 ( -7.456 -11.693 0.000) 13.868 8.273 ( -2.265 8.120 0.000) 8.430 8.334 ( -0.816 -3.887 0.000) 3.972 8.452 ( 7.480 -11.052 0.000) 13.346 8.616 ( 4.711 -19.759 0.000) 20.313 9.069 ( -2.065 -11.199 0.000) 11.388 9.403 ( -8.293 9.335 0.000) 12.487 9.514 ( 1.908 0.835 0.000) 2.083 10.288 ( 7.928 -16.186 0.000) 18.023 10.767 ( 11.674 25.326 0.000) 27.887 11.577 ( 17.325 16.696 0.000) 24.061 13.173 ( -10.367 -6.764 0.000) 12.378 13.602 ( -9.015 -15.938 0.000) 18.311 21.562 ( -5.395 -0.038 0.000) 5.395 22.044 ( 2.331 2.787 0.000) 3.633 22.422 ( 7.577 8.364 0.000) 11.286 22.726 ( 2.266 -3.521 0.000) 4.187 23.293 ( -2.650 -5.203 0.000) 5.839 24.379 ( -8.213 0.398 0.000) 8.223======================= Grid point 15 (11/126) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -14.197 36.342 0.000) 39.016 1.609 ( -13.865 37.005 0.000) 39.517 2.503 ( -10.173 26.632 0.000) 28.509 2.712 ( -21.025 49.723 0.000) 53.986 4.499 ( 23.693 -18.128 0.000) 29.833 4.501 ( -1.985 9.035 0.000) 9.250 5.034 ( -6.589 -11.730 0.000) 13.454 5.134 ( 13.081 1.956 0.000) 13.226 5.345 ( -14.084 -17.066 0.000) 22.128 5.364 ( 1.888 -4.625 0.000) 4.995 5.563 ( -5.704 6.340 0.000) 8.528 5.982 ( -3.676 1.930 0.000) 4.152 6.285 ( 16.284 17.577 0.000) 23.961 6.288 ( 5.902 -8.083 0.000) 10.009 6.444 ( 4.245 8.451 0.000) 9.457 6.545 ( -9.558 3.829 0.000) 10.296 6.689 ( -8.178 9.351 0.000) 12.422 7.095 ( -6.487 -0.174 0.000) 6.489 7.336 ( -2.166 2.159 0.000) 3.058 7.487 ( -4.065 2.287 0.000) 4.664 7.833 ( -8.357 -10.354 0.000) 13.305 7.876 ( 0.753 -1.282 0.000) 1.487 8.022 ( 0.810 5.082 0.000) 5.146 8.150 ( -1.151 7.091 0.000) 7.184 8.239 ( -1.791 -12.973 0.000) 13.096 8.389 ( -0.754 -6.693 0.000) 6.735 8.672 ( 4.540 -9.559 0.000) 10.583 8.920 ( 9.626 -8.364 0.000) 12.752 9.201 ( -3.379 8.991 0.000) 9.605 9.228 ( -2.294 -20.420 0.000) 20.548 9.533 ( 0.051 -1.427 0.000) 1.428 10.573 ( 4.955 -13.770 0.000) 14.634 10.579 ( 6.679 26.932 0.000) 27.748 11.576 ( 15.125 22.860 0.000) 27.410 13.136 ( -7.941 -9.369 0.000) 12.282 13.668 ( -10.960 -17.640 0.000) 20.768 21.497 ( -3.677 -0.934 0.000) 3.793 22.031 ( 0.377 2.248 0.000) 2.279 22.443 ( 10.808 10.653 0.000) 15.175 22.808 ( 0.665 -6.034 0.000) 6.070 23.315 ( -0.612 -2.294 0.000) 2.375 24.233 ( -10.970 -0.135 0.000) 10.971======================= Grid point 16 (12/126) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 0.000 40.073 0.000) 40.073 1.008 ( 0.000 40.357 0.000) 40.357 1.666 ( 0.000 67.241 0.000) 67.241 2.254 ( 0.000 18.390 0.000) 18.390 4.369 ( 0.000 7.922 0.000) 7.922 4.919 ( -0.000 -14.125 0.000) 14.125 5.112 ( -0.000 -13.194 0.000) 13.194 5.169 ( 0.000 12.263 0.000) 12.263 5.243 ( 0.000 10.478 0.000) 10.478 5.427 ( -0.000 -15.175 0.000) 15.175 5.653 ( -0.000 -18.691 0.000) 18.691 5.956 ( -0.000 -0.170 0.000) 0.170 6.200 ( 0.000 21.551 0.000) 21.551 6.372 ( 0.000 11.734 0.000) 11.734 6.394 ( -0.000 -5.524 0.000) 5.524 6.459 ( -0.000 -0.734 0.000) 0.734 6.489 ( 0.000 6.348 0.000) 6.348 7.065 ( -0.000 -4.371 0.000) 4.371 7.293 ( 0.000 2.133 0.000) 2.133 7.424 ( 0.000 2.293 0.000) 2.293 7.869 ( -0.000 -5.111 0.000) 5.111 7.880 ( 0.000 0.834 0.000) 0.834 7.978 ( 0.000 3.330 0.000) 3.330 8.076 ( 0.000 3.543 0.000) 3.543 8.370 ( -0.000 -9.830 0.000) 9.830 8.467 ( -0.000 -6.893 0.000) 6.893 8.824 ( -0.000 -9.751 0.000) 9.751 9.076 ( 0.000 8.031 0.000) 8.031 9.081 ( -0.000 -4.464 0.000) 4.464 9.457 ( -0.000 -18.983 0.000) 18.983 9.544 ( -0.000 -0.912 0.000) 0.912 10.330 ( 0.000 22.043 0.000) 22.043 10.754 ( -0.000 -9.587 0.000) 9.587 11.443 ( 0.000 21.256 0.000) 21.256 13.174 ( -0.000 -8.124 0.000) 8.124 13.715 ( -0.000 -10.098 0.000) 10.098 21.484 ( -0.000 -1.512 0.000) 1.512 22.009 ( 0.000 1.504 0.000) 1.504 22.452 ( 0.000 6.893 0.000) 6.893 22.893 ( -0.000 -7.070 0.000) 7.070 23.321 ( 0.000 1.270 0.000) 1.270 24.101 ( 0.000 1.835 0.000) 1.835======================= Grid point 19 (13/126) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 36.161 -0.000 0.000) 36.161 2.377 ( 30.930 -0.000 0.000) 30.930 3.249 ( 33.155 -0.000 0.000) 33.155 3.756 ( 39.676 -0.000 0.000) 39.676 4.309 ( -18.495 0.000 0.000) 18.495 4.361 ( -19.956 0.000 0.000) 19.956 4.841 ( -26.960 0.000 0.000) 26.960 4.865 ( 10.792 -0.000 0.000) 10.792 5.559 ( -12.970 0.000 0.000) 12.970 5.613 ( -3.353 0.000 0.000) 3.353 5.693 ( 15.638 -0.000 0.000) 15.638 5.975 ( 9.072 -0.000 0.000) 9.072 5.985 ( 15.222 -0.000 0.000) 15.222 6.176 ( 6.477 -0.000 0.000) 6.477 6.313 ( -3.115 0.000 0.000) 3.115 6.920 ( -4.176 0.000 0.000) 4.176 7.191 ( 9.757 -0.000 0.000) 9.757 7.303 ( 12.077 -0.000 0.000) 12.077 7.434 ( 3.109 -0.000 0.000) 3.109 7.575 ( -0.326 0.000 0.000) 0.326 7.638 ( -7.663 0.000 0.000) 7.663 7.781 ( -4.610 0.000 0.000) 4.610 7.898 ( -21.211 0.000 0.000) 21.211 7.997 ( 4.682 -0.000 0.000) 4.682 8.224 ( 5.129 -0.000 0.000) 5.129 8.343 ( -19.330 0.000 0.000) 19.330 8.517 ( -14.627 0.000 0.000) 14.627 8.799 ( 7.384 -0.000 0.000) 7.384 9.009 ( -8.386 0.000 0.000) 8.386 9.035 ( 4.586 -0.000 0.000) 4.586 9.610 ( 0.843 -0.000 0.000) 0.843 10.291 ( -16.920 0.000 0.000) 16.920 10.854 ( 32.604 -0.000 0.000) 32.604 11.415 ( 8.312 -0.000 0.000) 8.312 13.321 ( -2.752 0.000 0.000) 2.752 13.742 ( -24.708 0.000 0.000) 24.708 21.660 ( 0.012 -0.000 0.000) 0.012 21.975 ( 6.235 -0.000 0.000) 6.235 22.323 ( 10.550 -0.000 0.000) 10.550 22.969 ( -6.478 0.000 0.000) 6.478 22.989 ( -4.710 0.000 0.000) 4.710 24.576 ( -1.857 0.000 0.000) 1.857======================= Grid point 20 (14/126) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( 14.313 -3.644 0.000) 14.770 2.826 ( 33.008 -5.840 0.000) 33.520 3.508 ( 25.051 31.695 0.000) 40.400 3.730 ( -16.480 27.902 0.000) 32.405 4.296 ( 11.109 -13.132 0.000) 17.200 4.399 ( -15.077 -25.843 0.000) 29.920 4.487 ( -13.145 -8.196 0.000) 15.490 5.123 ( 22.261 -1.174 0.000) 22.292 5.345 ( -17.556 -2.839 0.000) 17.784 5.413 ( -4.941 14.841 0.000) 15.642 5.835 ( 4.244 9.492 0.000) 10.397 5.989 ( -0.236 16.781 0.000) 16.783 6.214 ( 17.061 2.263 0.000) 17.210 6.321 ( 10.471 -2.094 0.000) 10.678 6.396 ( 8.076 -13.005 0.000) 15.308 6.865 ( -5.450 -0.779 0.000) 5.505 7.249 ( 5.754 8.410 0.000) 10.191 7.358 ( 5.283 10.986 0.000) 12.190 7.464 ( -1.186 -0.983 0.000) 1.540 7.602 ( 2.301 -2.855 0.000) 3.667 7.648 ( -12.696 -20.872 0.000) 24.430 7.708 ( -5.059 -0.402 0.000) 5.075 7.709 ( -7.166 -8.926 0.000) 11.447 8.064 ( 4.125 -0.093 0.000) 4.126 8.079 ( -19.448 -6.605 0.000) 20.539 8.281 ( -15.507 0.006 0.000) 15.507 8.282 ( 2.284 0.108 0.000) 2.286 8.757 ( 5.082 16.877 0.000) 17.625 8.899 ( -7.624 -2.230 0.000) 7.943 9.281 ( 7.980 -18.017 0.000) 19.705 9.606 ( 1.116 3.166 0.000) 3.357 10.023 ( -16.332 1.783 0.000) 16.429 11.270 ( 29.382 14.016 0.000) 32.554 11.568 ( 15.018 -1.505 0.000) 15.093 13.247 ( -9.048 0.792 0.000) 9.082 13.397 ( -22.223 -5.529 0.000) 22.900 21.633 ( -3.486 -0.093 0.000) 3.488 22.069 ( 6.497 1.261 0.000) 6.619 22.483 ( 11.225 1.384 0.000) 11.310 22.784 ( -4.130 7.712 0.000) 8.748 23.027 ( -5.754 -10.989 0.000) 12.404 24.521 ( -4.474 1.114 0.000) 4.611======================= Grid point 21 (15/126) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( -14.100 4.012 0.000) 14.660 3.016 ( -8.817 28.052 0.000) 29.405 3.353 ( 17.247 37.554 0.000) 41.325 3.531 ( 26.073 -7.448 0.000) 27.116 4.206 ( -6.792 1.531 0.000) 6.962 4.517 ( -10.139 -23.996 0.000) 26.049 4.822 ( 13.506 -5.759 0.000) 14.683 5.119 ( -21.166 -7.502 0.000) 22.456 5.122 ( -5.787 19.509 0.000) 20.350 5.431 ( 12.710 3.654 0.000) 13.225 5.591 ( -0.878 9.223 0.000) 9.265 5.913 ( 7.188 7.384 0.000) 10.305 6.404 ( -1.703 6.151 0.000) 6.383 6.424 ( 16.912 4.956 0.000) 17.623 6.614 ( 11.982 -0.541 0.000) 11.994 6.800 ( -10.564 -5.482 0.000) 11.902 7.180 ( 2.155 12.159 0.000) 12.348 7.299 ( 0.486 6.879 0.000) 6.897 7.433 ( -2.470 0.752 0.000) 2.582 7.556 ( -19.915 -10.704 0.000) 22.609 7.607 ( -4.461 0.607 0.000) 4.502 7.720 ( 2.085 -4.971 0.000) 5.391 7.844 ( -6.394 -14.713 0.000) 16.042 8.041 ( -1.658 -16.428 0.000) 16.511 8.123 ( 3.535 -0.232 0.000) 3.543 8.195 ( -0.878 -12.522 0.000) 12.553 8.282 ( -1.346 0.821 0.000) 1.576 8.602 ( 2.990 17.596 0.000) 17.848 8.852 ( -6.203 -6.956 0.000) 9.320 9.521 ( -2.195 -3.559 0.000) 4.181 9.573 ( 0.174 3.360 0.000) 3.364 9.885 ( -2.830 -12.568 0.000) 12.883 11.353 ( 14.532 20.866 0.000) 25.428 11.883 ( 25.856 6.221 0.000) 26.594 13.023 ( -18.258 -4.365 0.000) 18.773 13.274 ( -11.764 -10.220 0.000) 15.584 21.564 ( -5.452 0.137 0.000) 5.454 22.118 ( 3.278 2.954 0.000) 4.413 22.591 ( 8.590 5.546 0.000) 10.225 22.706 ( 1.745 1.700 0.000) 2.436 23.082 ( -4.575 -10.827 0.000) 11.754 24.420 ( -6.458 2.036 0.000) 6.771======================= Grid point 22 (16/126) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.341 ( -18.440 19.286 0.000) 26.683 2.462 ( -8.818 35.246 0.000) 36.332 3.131 ( 8.557 31.902 0.000) 33.029 3.935 ( -6.487 36.900 0.000) 37.466 4.103 ( 28.370 -13.715 0.000) 31.512 4.675 ( -5.381 -19.569 0.000) 20.295 4.792 ( 0.960 14.170 0.000) 14.203 4.915 ( -23.063 -14.551 0.000) 27.270 4.931 ( -0.988 -1.193 0.000) 1.549 5.575 ( 8.366 -7.249 0.000) 11.070 5.611 ( 7.815 9.890 0.000) 12.605 5.982 ( 2.702 0.477 0.000) 2.744 6.255 ( -0.952 7.512 0.000) 7.572 6.584 ( 14.106 7.121 0.000) 15.801 6.603 ( -9.084 5.925 0.000) 10.845 6.748 ( 6.373 7.511 0.000) 9.850 7.013 ( -2.489 15.338 0.000) 15.538 7.113 ( -13.842 1.515 0.000) 13.925 7.385 ( -1.697 1.732 0.000) 2.425 7.507 ( -7.000 -12.419 0.000) 14.256 7.530 ( -3.802 1.177 0.000) 3.980 7.806 ( 1.369 -4.235 0.000) 4.450 7.886 ( -6.314 -14.695 0.000) 15.994 8.153 ( 1.766 3.916 0.000) 4.296 8.252 ( -1.913 -2.798 0.000) 3.390 8.352 ( 4.638 -19.330 0.000) 19.878 8.427 ( 0.890 15.424 0.000) 15.450 8.474 ( 8.187 -21.691 0.000) 23.185 8.878 ( -4.525 -9.665 0.000) 10.672 9.395 ( -5.171 6.357 0.000) 8.194 9.539 ( -0.261 1.712 0.000) 1.732 10.149 ( 3.612 -20.491 0.000) 20.807 11.237 ( 7.514 24.946 0.000) 26.053 12.091 ( 19.765 17.091 0.000) 26.129 12.884 ( -12.071 -10.051 0.000) 15.708 13.263 ( -9.510 -14.979 0.000) 17.742 21.486 ( -4.203 0.023 0.000) 4.203 22.102 ( 0.641 3.562 0.000) 3.619 22.645 ( 7.695 4.526 0.000) 8.928 22.728 ( 1.535 1.066 0.000) 1.869 23.157 ( -2.286 -9.741 0.000) 10.006 24.289 ( -6.203 3.386 0.000) 7.067======================= Grid point 23 (17/126) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 0.000 29.404 0.000) 29.404 1.942 ( 0.000 37.861 0.000) 37.861 2.825 ( 0.000 28.323 0.000) 28.323 3.232 ( 0.000 59.416 0.000) 59.416 4.590 ( -0.000 -11.915 0.000) 11.915 4.634 ( 0.000 13.052 0.000) 13.052 4.741 ( -0.000 -15.704 0.000) 15.704 4.963 ( -0.000 -22.432 0.000) 22.432 5.073 ( -0.000 -16.837 0.000) 16.837 5.524 ( 0.000 8.982 0.000) 8.982 5.688 ( 0.000 19.353 0.000) 19.353 5.901 ( -0.000 -6.222 0.000) 6.222 6.258 ( -0.000 -2.153 0.000) 2.153 6.476 ( 0.000 2.968 0.000) 2.968 6.645 ( 0.000 5.794 0.000) 5.794 6.665 ( 0.000 12.122 0.000) 12.122 6.737 ( 0.000 21.179 0.000) 21.179 6.997 ( -0.000 -1.786 0.000) 1.786 7.347 ( 0.000 2.139 0.000) 2.139 7.480 ( 0.000 1.890 0.000) 1.890 7.611 ( -0.000 -13.375 0.000) 13.375 7.859 ( -0.000 -2.745 0.000) 2.745 8.038 ( -0.000 -16.400 0.000) 16.400 8.092 ( 0.000 5.896 0.000) 5.896 8.262 ( 0.000 11.898 0.000) 11.898 8.304 ( -0.000 -5.988 0.000) 5.988 8.570 ( -0.000 -12.409 0.000) 12.409 8.873 ( -0.000 -27.103 0.000) 27.103 8.937 ( -0.000 -7.428 0.000) 7.428 9.273 ( 0.000 7.450 0.000) 7.450 9.527 ( 0.000 0.037 0.000) 0.037 10.415 ( -0.000 -17.915 0.000) 17.915 10.970 ( 0.000 27.689 0.000) 27.689 12.007 ( 0.000 22.603 0.000) 22.603 12.920 ( -0.000 -11.637 0.000) 11.637 13.381 ( -0.000 -16.239 0.000) 16.239 21.456 ( -0.000 -0.578 0.000) 0.578 22.065 ( 0.000 3.041 0.000) 3.041 22.648 ( 0.000 8.280 0.000) 8.280 22.746 ( -0.000 -4.399 0.000) 4.399 23.246 ( -0.000 -7.247 0.000) 7.247 24.183 ( 0.000 4.492 0.000) 4.492======================= Grid point 28 (18/126) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( -6.367 0.000 0.000) 6.367 3.272 ( 30.033 -0.000 0.000) 30.033 3.864 ( -12.458 0.000 0.000) 12.458 3.877 ( -8.362 0.000 0.000) 8.362 4.181 ( -6.262 0.000 0.000) 6.262 4.223 ( 1.012 -0.000 0.000) 1.012 4.314 ( 32.949 -0.000 0.000) 32.949 5.029 ( -22.193 0.000 0.000) 22.193 5.337 ( -12.497 0.000 0.000) 12.497 5.440 ( 19.821 -0.000 0.000) 19.821 6.118 ( 13.979 -0.000 0.000) 13.979 6.120 ( -8.624 0.000 0.000) 8.624 6.276 ( 3.221 -0.000 0.000) 3.221 6.450 ( 8.049 -0.000 0.000) 8.049 6.482 ( 16.588 -0.000 0.000) 16.588 6.903 ( 2.650 -0.000 0.000) 2.650 7.174 ( -21.256 0.000 0.000) 21.256 7.376 ( 3.046 -0.000 0.000) 3.046 7.428 ( -2.066 0.000 0.000) 2.066 7.487 ( -1.529 0.000 0.000) 1.529 7.617 ( 2.423 -0.000 0.000) 2.423 7.626 ( -5.210 0.000 0.000) 5.210 7.702 ( 10.737 -0.000 0.000) 10.737 7.778 ( -12.325 0.000 0.000) 12.325 8.041 ( -15.441 0.000 0.000) 15.441 8.110 ( 2.533 -0.000 0.000) 2.533 8.301 ( -0.038 0.000 0.000) 0.038 8.757 ( -8.565 0.000 0.000) 8.565 9.016 ( 6.107 -0.000 0.000) 6.107 9.222 ( 7.260 -0.000 0.000) 7.260 9.626 ( -0.792 0.000 0.000) 0.792 9.793 ( -15.092 0.000 0.000) 15.092 11.670 ( 7.744 -0.000 0.000) 7.744 11.899 ( 34.042 -0.000 0.000) 34.042 12.976 ( -24.063 0.000 0.000) 24.063 13.142 ( -9.307 0.000 0.000) 9.307 21.566 ( -5.246 0.000 0.000) 5.246 22.160 ( 4.237 -0.000 0.000) 4.237 22.670 ( 11.408 -0.000 0.000) 11.408 22.814 ( -3.468 0.000 0.000) 3.468 22.842 ( -3.334 0.000 0.000) 3.334 24.448 ( -6.001 0.000 0.000) 6.001======================= Grid point 29 (19/126) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( -14.702 3.739 0.000) 15.170 3.280 ( -4.584 31.270 0.000) 31.604 3.852 ( 25.784 -7.757 0.000) 26.926 3.972 ( 5.421 31.643 0.000) 32.104 4.090 ( -3.368 -24.783 0.000) 25.011 4.188 ( 3.548 -2.177 0.000) 4.163 4.699 ( -25.324 -4.102 0.000) 25.654 4.942 ( 21.282 -16.800 0.000) 27.114 5.132 ( -9.527 4.359 0.000) 10.477 5.646 ( 1.664 16.087 0.000) 16.173 5.705 ( -3.569 14.834 0.000) 15.257 6.229 ( 9.253 11.758 0.000) 14.962 6.402 ( 2.901 -3.870 0.000) 4.837 6.592 ( -1.226 -5.315 0.000) 5.454 6.687 ( 11.863 1.923 0.000) 12.017 6.801 ( 3.808 1.965 0.000) 4.285 7.045 ( -21.942 -10.794 0.000) 24.453 7.327 ( -0.255 8.925 0.000) 8.929 7.413 ( -1.084 0.226 0.000) 1.107 7.451 ( 3.131 3.665 0.000) 4.820 7.551 ( -3.474 0.953 0.000) 3.603 7.646 ( -5.854 1.465 0.000) 6.035 7.685 ( 1.386 -4.972 0.000) 5.161 7.881 ( 1.545 -10.772 0.000) 10.883 8.024 ( 2.326 -17.473 0.000) 17.627 8.147 ( 1.464 -1.341 0.000) 1.985 8.279 ( -1.392 1.804 0.000) 2.279 8.680 ( -5.470 -5.419 0.000) 7.700 8.898 ( 3.320 21.253 0.000) 21.510 9.451 ( 1.935 -6.985 0.000) 7.248 9.595 ( -1.123 1.936 0.000) 2.238 9.657 ( -6.008 -13.214 0.000) 14.516 11.697 ( 5.669 10.914 0.000) 12.298 12.338 ( 25.467 3.291 0.000) 25.679 12.702 ( -14.705 -4.079 0.000) 15.260 13.007 ( -12.430 -4.914 0.000) 13.366 21.491 ( -4.188 0.183 0.000) 4.192 22.186 ( 1.348 2.467 0.000) 2.811 22.710 ( 0.264 4.100 0.000) 4.109 22.812 ( 7.030 2.521 0.000) 7.468 22.901 ( -2.023 -9.836 0.000) 10.042 24.355 ( -4.799 1.550 0.000) 5.043======================= Grid point 30 (20/126) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.370 ( 0.000 10.939 0.000) 10.939 2.829 ( 0.000 34.766 0.000) 34.766 3.616 ( 0.000 34.301 0.000) 34.301 4.214 ( 0.000 9.080 0.000) 9.080 4.346 ( -0.000 -21.497 0.000) 21.497 4.370 ( -0.000 -12.342 0.000) 12.342 4.411 ( -0.000 -10.293 0.000) 10.293 4.947 ( 0.000 11.046 0.000) 11.046 5.090 ( 0.000 30.902 0.000) 30.902 5.404 ( -0.000 -19.237 0.000) 19.237 5.767 ( -0.000 -1.842 0.000) 1.842 6.141 ( 0.000 14.818 0.000) 14.818 6.368 ( 0.000 8.864 0.000) 8.864 6.611 ( 0.000 6.042 0.000) 6.042 6.755 ( 0.000 3.080 0.000) 3.080 6.866 ( -0.000 -0.791 0.000) 0.791 6.906 ( -0.000 -6.838 0.000) 6.838 7.178 ( 0.000 14.176 0.000) 14.176 7.393 ( 0.000 1.460 0.000) 1.460 7.426 ( 0.000 3.795 0.000) 3.795 7.512 ( 0.000 0.896 0.000) 0.896 7.649 ( -0.000 -13.248 0.000) 13.248 7.759 ( -0.000 -5.125 0.000) 5.125 8.130 ( -0.000 -22.194 0.000) 22.194 8.189 ( -0.000 -3.329 0.000) 3.329 8.226 ( 0.000 4.293 0.000) 4.293 8.283 ( -0.000 -19.479 0.000) 19.479 8.662 ( 0.000 20.502 0.000) 20.502 8.729 ( -0.000 -8.707 0.000) 8.707 9.419 ( 0.000 4.260 0.000) 4.260 9.559 ( 0.000 2.278 0.000) 2.278 9.904 ( -0.000 -23.296 0.000) 23.296 11.562 ( 0.000 18.767 0.000) 18.767 12.460 ( 0.000 13.411 0.000) 13.411 12.664 ( -0.000 -8.252 0.000) 8.252 12.996 ( -0.000 -13.544 0.000) 13.544 21.454 ( 0.000 0.233 0.000) 0.233 22.153 ( 0.000 3.861 0.000) 3.861 22.692 ( 0.000 0.173 0.000) 0.173 22.820 ( 0.000 5.271 0.000) 5.271 23.012 ( -0.000 -10.728 0.000) 10.728 24.285 ( 0.000 3.293 0.000) 3.293======================= Grid point 38 (21/126) =======================q-point: (-0.50 0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( -0.000 -0.000 0.000) 0.000 3.599 ( -0.000 -0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 4.210 ( -0.000 -0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.280 ( -0.000 -0.000 0.000) 0.000 4.283 ( -0.000 -0.000 0.000) 0.000 4.980 ( -0.000 -0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.740 ( -0.000 -0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.214 ( -0.000 -0.000 0.000) 0.000 6.571 ( 0.000 0.001 0.000) 0.001 6.622 ( -0.000 -0.001 0.000) 0.001 6.715 ( 0.000 0.000 0.000) 0.000 6.781 ( -0.000 -0.001 0.000) 0.001 6.793 ( -0.000 -0.000 0.000) 0.000 7.391 ( -0.000 -0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.489 ( -0.000 -0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.657 ( -0.000 -0.000 0.000) 0.000 7.682 ( 0.000 0.001 0.000) 0.001 7.822 ( -0.000 -0.000 0.000) 0.000 7.893 ( -0.000 -0.001 0.000) 0.001 8.147 ( -0.000 -0.000 0.000) 0.000 8.280 ( -0.000 -0.000 0.000) 0.000 8.599 ( -0.000 -0.000 0.000) 0.000 9.113 ( -0.000 -0.000 0.000) 0.000 9.422 ( -0.000 -0.000 0.000) 0.000 9.472 ( -0.000 -0.000 0.000) 0.000 9.597 ( -0.000 -0.002 0.000) 0.002 11.803 ( -0.000 -0.000 0.000) 0.000 12.558 ( -0.000 -0.000 0.000) 0.000 12.627 ( -0.000 -0.000 0.000) 0.000 12.814 ( -0.000 -0.000 0.000) 0.000 21.459 ( -0.000 -0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.751 ( -0.000 -0.004 0.000) 0.004 22.807 ( 0.000 0.002 0.000) 0.002 22.887 ( -0.000 -0.000 0.000) 0.000 24.327 ( -0.000 -0.001 0.000) 0.001======================= Grid point 67 (22/126) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 0.000 0.000 37.334) 37.334 0.822 ( 0.000 0.000 40.711) 40.711 1.469 ( 0.000 0.000 72.662) 72.662 2.095 ( 0.000 0.000 8.715) 8.715 4.233 ( 0.000 0.000 -3.624) 3.624 4.924 ( 0.000 0.000 -7.166) 7.166 5.025 ( 0.000 0.000 -7.937) 7.937 5.216 ( 0.000 0.000 -7.391) 7.391 5.278 ( 0.000 0.000 11.954) 11.954 5.655 ( 0.000 0.000 -20.931) 20.931 5.696 ( 0.000 0.000 0.007) 0.007 5.830 ( 0.000 0.000 1.683) 1.683 6.083 ( 0.000 0.000 3.104) 3.104 6.091 ( 0.000 0.000 0.932) 0.932 6.463 ( 0.000 0.000 5.404) 5.404 6.522 ( 0.000 0.000 6.476) 6.476 6.613 ( 0.000 0.000 3.669) 3.669 6.758 ( 0.000 0.000 19.726) 19.726 7.166 ( 0.000 0.000 1.371) 1.371 7.607 ( 0.000 0.000 19.128) 19.128 7.868 ( 0.000 0.000 -1.283) 1.283 8.062 ( 0.000 0.000 3.539) 3.539 8.065 ( 0.000 0.000 13.610) 13.610 8.432 ( 0.000 0.000 -5.192) 5.192 8.554 ( 0.000 0.000 3.665) 3.665 8.652 ( 0.000 0.000 6.099) 6.099 8.777 ( 0.000 0.000 -16.277) 16.277 8.930 ( 0.000 0.000 -1.491) 1.491 9.189 ( 0.000 0.000 4.834) 4.834 9.603 ( 0.000 0.000 4.218) 4.218 9.641 ( 0.000 0.000 15.280) 15.280 9.868 ( 0.000 0.000 2.665) 2.665 11.007 ( 0.000 0.000 12.679) 12.679 11.080 ( 0.000 0.000 -5.414) 5.414 13.314 ( 0.000 0.000 3.559) 3.559 13.838 ( 0.000 0.000 -0.303) 0.303 21.528 ( 0.000 0.000 1.980) 1.980 21.899 ( 0.000 0.000 0.730) 0.730 21.991 ( 0.000 0.000 -0.025) 0.025 22.327 ( 0.000 0.000 -3.049) 3.049 22.982 ( 0.000 0.000 -3.140) 3.140 23.212 ( 0.000 0.000 -4.627) 4.627======================= Grid point 68 (23/126) =======================q-point: ( 0.12 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 23.136 -14.724 27.883) 39.109 1.198 ( 24.760 -18.879 28.340) 42.103 1.921 ( 32.829 -29.175 52.209) 68.225 2.264 ( 13.084 -9.814 8.177) 18.286 4.346 ( 10.016 -0.799 -7.631) 12.617 4.923 ( -4.613 5.127 -6.274) 9.324 5.004 ( -10.614 11.894 -0.402) 15.946 5.149 ( 9.247 -9.348 -7.797) 15.287 5.281 ( 1.210 -1.935 3.113) 3.860 5.610 ( -6.019 -1.798 -9.785) 11.628 5.685 ( 3.488 5.316 -0.353) 6.368 5.870 ( -4.749 7.826 2.741) 9.556 5.993 ( 2.690 -5.639 0.389) 6.259 6.200 ( -3.484 -10.448 -0.119) 11.014 6.409 ( -4.037 4.519 3.708) 7.104 6.554 ( 4.963 -0.119 -5.268) 7.239 6.678 ( 8.831 -1.994 0.527) 9.069 6.829 ( 8.751 3.187 14.623) 17.337 7.146 ( -0.680 1.483 1.227) 2.041 7.611 ( 0.886 0.765 15.357) 15.401 7.870 ( -0.748 -1.148 -1.275) 1.871 8.034 ( -1.307 1.337 7.894) 8.112 8.114 ( 1.440 -4.684 9.408) 10.607 8.335 ( -5.466 5.482 6.835) 10.327 8.452 ( 1.624 6.123 -0.955) 6.407 8.624 ( 0.553 4.815 6.091) 7.784 8.826 ( -9.728 -13.017 -8.211) 18.207 8.980 ( 1.238 -6.672 -0.997) 6.859 9.107 ( -5.451 4.412 13.939) 15.603 9.548 ( -6.587 -1.085 5.652) 8.748 9.717 ( 7.707 7.538 5.337) 12.029 9.998 ( 6.235 -10.449 0.720) 12.189 10.936 ( -5.560 4.873 12.409) 14.444 11.109 ( -2.032 -6.941 -5.437) 9.048 13.304 ( 2.055 3.178 2.579) 4.580 13.897 ( 8.471 7.374 -10.430) 15.327 21.543 ( 2.638 0.589 2.125) 3.439 21.973 ( -4.159 -5.201 -0.944) 6.726 22.051 ( -0.725 -12.056 -3.649) 12.617 22.679 ( 23.766 -7.117 -32.535) 40.914 22.966 ( 2.635 2.751 -4.232) 5.694 23.351 ( 14.312 -9.112 -11.163) 20.310======================= Grid point 69 (24/126) =======================q-point: ( 0.25 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 24.656 -17.514 17.942) 35.165 1.817 ( 25.210 -21.502 22.592) 40.104 2.632 ( 15.332 -12.515 7.502) 21.166 2.918 ( 42.947 -32.935 27.861) 60.872 4.458 ( -18.562 16.698 4.515) 25.372 4.487 ( 6.239 3.853 -4.527) 8.617 4.922 ( -3.073 1.651 -4.343) 5.571 5.284 ( -2.716 -1.936 5.849) 6.733 5.456 ( -7.295 8.033 -2.799) 11.206 5.481 ( 10.357 -10.645 -8.148) 16.940 5.668 ( 5.589 7.112 2.503) 9.385 5.797 ( 3.062 0.379 -3.672) 4.796 6.056 ( -6.056 -8.717 3.506) 11.178 6.237 ( -6.228 -7.637 -0.990) 9.904 6.262 ( -4.556 7.120 2.751) 8.889 6.648 ( 4.647 -1.162 -14.598) 15.364 6.852 ( 9.081 3.201 -9.148) 13.282 6.905 ( 10.031 2.293 5.482) 11.659 7.162 ( 2.778 -3.719 3.027) 5.541 7.604 ( -0.725 0.937 7.478) 7.571 7.872 ( -1.301 -1.654 0.102) 2.107 7.995 ( -0.919 1.628 6.208) 6.483 8.212 ( 2.011 -5.832 10.346) 12.046 8.279 ( -0.309 -2.531 10.278) 10.589 8.410 ( 1.219 4.499 2.734) 5.404 8.565 ( 0.726 5.997 6.848) 9.132 8.792 ( -7.321 -1.998 -6.124) 9.752 8.957 ( -5.150 5.862 19.938) 21.410 9.129 ( 3.845 -10.589 -0.064) 11.266 9.431 ( -8.464 2.732 9.538) 13.041 9.652 ( 0.234 8.442 7.389) 11.221 10.235 ( 5.322 -12.534 -0.306) 13.620 10.731 ( -9.866 9.370 11.927) 18.094 11.176 ( -2.486 -8.827 -5.466) 10.676 13.304 ( 3.452 3.512 0.770) 4.984 13.844 ( 1.036 11.396 -12.097) 16.651 21.591 ( 4.430 0.390 2.270) 4.993 21.971 ( -2.816 -3.383 -0.335) 4.414 22.178 ( 1.042 -8.707 -1.813) 8.955 22.787 ( -1.280 4.851 -10.785) 11.894 23.061 ( 4.428 -3.140 -17.679) 18.494 23.792 ( 20.888 -9.778 -31.938) 39.395======================= Grid point 70 (25/126) =======================q-point: ( 0.38 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 18.597 -13.131 11.436) 25.477 2.461 ( 24.928 -22.757 16.763) 37.686 2.929 ( 7.775 -5.811 8.725) 13.052 3.641 ( -4.332 5.677 3.473) 7.941 4.149 ( 19.187 -11.776 23.805) 32.765 4.583 ( 5.868 1.016 -2.011) 6.285 4.835 ( -4.890 0.573 -2.711) 5.620 5.221 ( -14.115 -4.317 3.275) 15.120 5.285 ( 2.690 8.611 2.315) 9.313 5.548 ( -1.117 11.031 0.446) 11.097 5.677 ( 3.683 4.063 2.156) 5.892 5.885 ( 2.435 -0.792 -0.944) 2.729 6.026 ( -8.715 -5.988 2.919) 10.970 6.210 ( -6.152 -6.071 -0.540) 8.660 6.247 ( 6.249 -2.744 -9.629) 11.802 6.694 ( 1.187 0.196 -16.129) 16.174 6.856 ( 3.626 5.810 -6.275) 9.288 7.075 ( 7.923 -2.864 -11.299) 14.094 7.295 ( 5.183 -5.660 3.655) 8.500 7.566 ( -2.441 1.213 2.254) 3.537 7.872 ( -1.020 -1.067 4.192) 4.444 7.980 ( 0.827 0.702 5.763) 5.864 8.285 ( -1.053 -5.178 5.303) 7.486 8.347 ( 1.981 -4.384 9.440) 10.596 8.399 ( 2.395 0.484 9.764) 10.065 8.506 ( 0.568 5.069 9.305) 10.611 8.672 ( -4.259 5.302 -0.714) 6.838 8.798 ( -6.128 8.107 22.387) 24.586 9.180 ( -7.133 1.972 4.147) 8.484 9.401 ( 5.810 -3.995 3.961) 8.087 9.614 ( 2.200 -3.071 10.961) 11.593 10.384 ( -7.006 1.758 4.355) 8.434 10.484 ( -1.262 1.608 6.219) 6.546 11.234 ( -2.154 -5.874 -5.012) 8.016 13.320 ( 3.145 2.060 -0.480) 3.790 13.703 ( -2.306 8.022 -10.314) 13.268 21.652 ( 3.692 0.021 1.788) 4.102 21.971 ( -1.877 -2.146 0.281) 2.865 22.293 ( 2.699 -5.170 -0.055) 5.832 22.686 ( -3.388 4.327 -5.186) 7.556 23.131 ( 1.505 -1.648 -16.221) 16.374 24.103 ( 9.859 -4.080 -28.932) 30.837======================= Grid point 71 (26/126) =======================q-point: (-0.50 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 0.000 -0.000 8.200) 8.200 2.981 ( -0.000 -0.000 12.731) 12.731 3.083 ( 0.000 -0.000 20.015) 20.015 3.166 ( -0.000 0.000 -2.571) 2.571 4.599 ( 0.000 -0.000 5.740) 5.740 4.680 ( -0.000 -0.000 17.855) 17.855 4.809 ( 0.000 -0.000 -3.862) 3.862 5.035 ( 0.000 0.000 -0.751) 0.751 5.253 ( -0.000 -0.000 1.095) 1.095 5.396 ( 0.000 -0.000 9.092) 9.092 5.680 ( -0.000 -0.000 1.499) 1.499 5.892 ( 0.000 -0.000 -0.270) 0.270 6.003 ( 0.000 -0.000 6.266) 6.266 6.188 ( -0.000 -0.000 -2.609) 2.609 6.351 ( 0.000 -0.000 -16.400) 16.400 6.698 ( 0.000 0.000 -17.240) 17.240 6.848 ( -0.000 -0.000 -9.185) 9.185 7.159 ( 0.000 0.000 -14.581) 14.581 7.390 ( 0.000 0.000 3.202) 3.202 7.525 ( 0.000 -0.000 1.998) 1.998 7.870 ( 0.000 0.000 6.468) 6.468 7.987 ( -0.000 -0.000 5.634) 5.634 8.309 ( 0.000 -0.000 -2.650) 2.650 8.406 ( 0.000 0.000 6.071) 6.071 8.448 ( 0.000 -0.000 10.297) 10.297 8.473 ( 0.000 0.000 27.814) 27.814 8.601 ( -0.000 -0.000 1.245) 1.245 8.637 ( 0.000 -0.000 18.524) 18.524 9.107 ( 0.000 -0.000 3.972) 3.972 9.452 ( -0.000 -0.000 3.915) 3.915 9.739 ( -0.000 -0.000 10.873) 10.873 10.195 ( 0.000 0.000 9.709) 9.709 10.532 ( -0.000 -0.000 0.311) 0.311 11.253 ( 0.000 -0.000 -4.673) 4.673 13.335 ( -0.000 0.000 -0.908) 0.908 13.628 ( 0.000 -0.000 -9.685) 9.685 21.683 ( 0.000 -0.000 1.277) 1.277 21.969 ( -0.000 -0.000 0.696) 0.696 22.355 ( 0.000 -0.000 1.175) 1.175 22.622 ( 0.000 -0.000 -4.319) 4.319 23.151 ( 0.000 -0.000 -15.744) 15.744 24.199 ( 0.000 -0.000 -26.007) 26.007======================= Grid point 77 (27/126) =======================q-point: ( 0.12 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 35.365 -0.000 23.193) 42.292 1.526 ( 30.905 -0.000 25.895) 40.319 2.421 ( 53.353 -0.000 35.528) 64.100 2.479 ( 22.702 -0.000 7.455) 23.895 4.518 ( 10.430 -0.000 -10.396) 14.726 4.938 ( -19.977 0.000 -1.787) 20.057 4.990 ( -13.091 0.000 0.884) 13.121 5.077 ( 9.431 -0.000 -7.535) 12.072 5.191 ( 7.233 -0.000 -7.990) 10.778 5.613 ( 1.720 -0.000 0.747) 1.875 5.765 ( 0.566 -0.000 -1.208) 1.334 5.793 ( -5.457 0.000 6.106) 8.189 5.981 ( -4.720 0.000 0.794) 4.786 6.130 ( 1.765 -0.000 -1.457) 2.289 6.410 ( -0.613 0.000 5.463) 5.497 6.610 ( 4.564 -0.000 -20.574) 21.074 6.809 ( 10.669 -0.000 2.940) 11.067 7.039 ( 13.763 -0.000 10.965) 17.597 7.123 ( -2.927 0.000 1.145) 3.143 7.614 ( -1.765 0.000 8.904) 9.077 7.838 ( -2.513 0.000 -2.664) 3.662 8.044 ( 0.878 -0.000 14.593) 14.619 8.118 ( 3.532 -0.000 4.020) 5.352 8.272 ( -7.408 0.000 12.987) 14.952 8.421 ( -7.943 0.000 5.448) 9.632 8.627 ( -3.077 0.000 -8.086) 8.652 8.688 ( 2.732 -0.000 5.007) 5.704 8.944 ( 0.930 -0.000 -0.596) 1.105 9.065 ( -5.413 0.000 17.226) 18.057 9.393 ( -10.440 0.000 6.708) 12.409 9.799 ( -2.462 0.000 9.059) 9.388 10.125 ( 15.743 -0.000 1.082) 15.780 10.847 ( -10.137 0.000 12.533) 16.120 11.102 ( 4.383 -0.000 -9.079) 10.081 13.340 ( 0.907 -0.000 1.956) 2.157 14.003 ( -2.510 0.000 -18.469) 18.639 21.596 ( 4.118 -0.000 2.500) 4.818 21.906 ( 1.059 -0.000 1.678) 1.984 22.057 ( 5.236 -0.000 -2.090) 5.638 22.865 ( 4.648 -0.000 -26.522) 26.927 22.998 ( -0.069 0.000 -4.266) 4.266 23.647 ( 28.555 -0.000 -32.962) 43.611======================= Grid point 78 (28/126) =======================q-point: ( 0.25 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 33.776 -4.482 16.831) 38.003 2.051 ( 32.546 -6.967 20.508) 39.094 2.835 ( 23.393 0.958 7.493) 24.583 3.326 ( 47.997 -16.268 19.085) 54.154 4.405 ( -18.521 19.647 5.322) 27.520 4.663 ( 7.915 2.536 -5.865) 10.172 4.927 ( -16.707 -14.106 1.497) 21.917 5.042 ( 0.475 12.563 -3.870) 13.154 5.403 ( -1.933 -5.701 -2.025) 6.351 5.594 ( 7.600 -2.568 -5.755) 9.873 5.738 ( -5.075 0.070 3.871) 6.383 5.832 ( 8.132 -0.520 1.834) 8.352 5.935 ( -3.011 -2.031 1.169) 3.815 6.142 ( 0.244 -1.769 -1.382) 2.259 6.332 ( -0.980 10.435 6.486) 12.326 6.701 ( 4.774 -1.160 -25.313) 25.785 6.962 ( 6.491 -0.230 -4.156) 7.711 7.070 ( -0.136 1.171 -2.044) 2.359 7.214 ( 10.953 2.205 7.644) 13.538 7.570 ( -4.017 -0.904 2.698) 4.923 7.805 ( -3.903 -3.011 -2.063) 5.344 8.050 ( 3.039 3.517 12.464) 13.303 8.146 ( -5.302 -2.329 7.280) 9.302 8.229 ( 0.625 -5.359 9.345) 10.791 8.346 ( -6.540 -5.155 10.817) 13.651 8.579 ( -10.511 -6.776 -5.525) 13.672 8.680 ( 3.294 8.340 5.173) 10.352 8.940 ( -7.683 3.691 20.421) 22.129 9.042 ( 1.480 -9.747 0.189) 9.860 9.276 ( -6.579 -3.621 9.412) 12.041 9.711 ( -2.723 5.253 11.435) 12.875 10.381 ( 16.279 1.737 -0.520) 16.380 10.659 ( -8.562 4.776 12.707) 16.049 11.185 ( 6.926 0.764 -8.643) 11.102 13.342 ( -0.542 0.032 0.218) 0.585 13.854 ( -12.228 3.609 -14.034) 18.960 21.654 ( 3.238 0.064 2.089) 3.854 21.942 ( 2.957 -0.272 2.458) 3.855 22.176 ( 7.139 -3.449 -2.143) 8.214 22.821 ( -3.065 5.948 -11.587) 13.380 23.026 ( -1.533 -5.685 -10.758) 12.264 24.018 ( 17.046 -2.293 -34.852) 38.865======================= Grid point 79 (29/126) =======================q-point: ( 0.38 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 29.804 2.889 10.833) 31.843 2.635 ( 27.980 -13.679 14.400) 34.312 3.060 ( 12.459 7.150 9.932) 17.464 3.672 ( -14.129 21.004 2.509) 25.438 4.337 ( 25.913 -15.455 18.750) 35.524 4.727 ( -17.833 -2.553 -1.484) 18.076 4.802 ( 14.214 4.651 -2.515) 15.166 4.964 ( -3.315 -3.416 3.130) 5.697 5.314 ( -5.452 3.279 7.824) 10.084 5.637 ( -8.853 -1.483 4.373) 9.985 5.696 ( 0.445 10.317 -3.074) 10.774 5.881 ( -6.313 1.181 -2.043) 6.740 5.971 ( 10.287 0.120 -1.021) 10.338 6.194 ( 6.611 1.885 4.208) 8.060 6.297 ( 5.694 -3.828 -7.959) 10.508 6.746 ( 2.890 2.839 -22.809) 23.166 6.918 ( -3.527 4.319 -5.135) 7.580 7.150 ( 4.393 -1.110 -12.423) 13.224 7.319 ( 4.740 -1.209 2.956) 5.716 7.538 ( -1.186 -0.439 3.260) 3.496 7.802 ( -2.961 -4.475 1.837) 5.671 8.056 ( 3.092 2.676 10.003) 10.806 8.112 ( -8.950 -10.315 1.578) 13.747 8.300 ( -1.989 -8.610 12.655) 15.435 8.352 ( -0.376 -3.005 11.849) 12.230 8.485 ( -13.509 -8.498 1.561) 16.036 8.613 ( 2.483 9.277 7.381) 12.112 8.742 ( -12.571 4.278 22.256) 25.917 9.053 ( -5.997 -2.317 3.556) 7.346 9.415 ( 7.207 -10.693 5.649) 14.078 9.643 ( 1.994 2.387 11.256) 11.678 10.303 ( -13.464 5.551 8.304) 16.765 10.712 ( 21.169 11.105 1.740) 23.968 11.292 ( 10.114 2.164 -6.297) 12.109 13.322 ( -3.225 -0.914 -1.065) 3.517 13.621 ( -14.430 -0.465 -10.108) 17.624 21.679 ( -0.192 -0.212 1.375) 1.404 21.995 ( 5.321 1.887 2.575) 6.205 22.324 ( 7.121 -2.181 -0.900) 7.502 22.691 ( -3.708 5.282 -5.934) 8.767 23.066 ( -3.270 -6.402 -13.275) 15.096 24.197 ( 5.486 -0.167 -27.625) 28.165======================= Grid point 80 (30/126) =======================q-point: (-0.50 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 10.133 25.702 5.272) 28.126 2.976 ( -3.552 0.309 9.212) 9.878 3.087 ( -11.363 23.785 16.958) 31.344 3.322 ( 24.489 -9.783 5.654) 26.970 4.461 ( -18.664 1.040 7.693) 20.215 4.728 ( 9.368 5.857 8.653) 14.033 4.877 ( -2.776 -1.884 -2.048) 3.931 5.057 ( 6.063 1.288 6.046) 8.659 5.284 ( 1.845 -5.572 10.190) 11.760 5.435 ( -1.735 12.212 1.038) 12.379 5.536 ( -6.962 -3.941 4.206) 9.039 5.848 ( -1.068 -3.947 -3.989) 5.712 6.113 ( 7.755 0.686 -3.365) 8.481 6.299 ( 10.054 4.345 3.740) 11.574 6.386 ( 3.146 2.721 -12.146) 12.839 6.731 ( 0.896 3.648 -20.267) 20.612 6.822 ( -4.384 1.633 -10.099) 11.130 7.142 ( -4.085 2.484 -13.000) 13.851 7.371 ( -2.051 -0.548 1.466) 2.580 7.537 ( 1.388 -0.034 1.380) 1.957 7.815 ( -2.172 -4.090 5.166) 6.938 8.052 ( 1.827 4.410 8.308) 9.582 8.160 ( -7.724 -15.521 -3.138) 17.619 8.367 ( -4.211 -7.320 4.802) 9.715 8.415 ( -2.396 -6.709 15.085) 16.682 8.439 ( -1.843 -6.512 18.319) 19.529 8.496 ( -4.960 5.519 11.014) 13.281 8.567 ( -1.235 -0.540 18.271) 18.320 9.036 ( -2.960 -6.226 3.896) 7.919 9.499 ( 0.548 3.637 2.116) 4.243 9.721 ( -1.881 -0.523 10.762) 10.938 10.142 ( -0.753 -7.569 9.720) 12.342 10.814 ( 16.522 19.171 -1.166) 25.335 11.427 ( 15.271 7.680 -4.818) 17.759 13.252 ( -9.058 -2.859 -1.421) 9.604 13.495 ( -9.262 -8.493 -7.789) 14.784 21.652 ( -3.590 -0.067 1.531) 3.904 22.044 ( 5.373 3.675 1.833) 6.763 22.404 ( 3.862 3.495 -0.495) 5.232 22.629 ( 0.919 0.062 -4.385) 4.481 23.083 ( -4.149 -5.376 -14.838) 16.318 24.194 ( -3.233 3.105 -24.313) 24.723======================= Grid point 81 (31/126) =======================q-point: (-0.38 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( -7.578 33.271 10.252) 35.629 2.447 ( -19.408 27.495 14.562) 36.670 2.927 ( -4.647 11.457 10.573) 16.269 3.723 ( -0.358 16.731 8.015) 18.555 4.098 ( 2.111 1.203 17.115) 17.287 4.618 ( -0.199 11.260 -0.542) 11.275 4.959 ( 8.552 -1.453 1.295) 8.770 5.085 ( -5.348 -8.897 5.660) 11.824 5.310 ( 1.596 -1.718 5.121) 5.632 5.371 ( -13.110 -11.277 -0.631) 17.304 5.633 ( 6.268 -0.429 3.471) 7.178 5.899 ( 1.394 1.962 -8.129) 8.478 6.139 ( -0.601 -1.855 -6.690) 6.968 6.329 ( 9.203 11.250 2.860) 14.814 6.425 ( 9.069 6.324 -1.680) 11.183 6.671 ( -6.535 1.195 -9.407) 11.516 6.748 ( -1.757 1.501 -16.424) 16.586 6.991 ( -9.385 4.585 -9.897) 14.389 7.266 ( -7.061 3.623 3.684) 8.749 7.573 ( 0.772 -1.510 2.161) 2.747 7.850 ( -0.226 -4.266 2.952) 5.192 8.016 ( 0.703 3.316 5.849) 6.760 8.181 ( -8.855 -11.636 2.724) 14.874 8.339 ( -4.858 1.103 12.836) 13.769 8.388 ( -0.930 6.971 11.355) 13.357 8.453 ( -0.650 -2.105 11.771) 11.975 8.554 ( 2.584 -17.304 1.220) 17.539 8.765 ( 7.985 -12.756 21.234) 26.026 9.118 ( -1.507 -12.904 5.766) 14.214 9.388 ( -6.008 7.932 0.526) 9.964 9.615 ( -2.819 2.556 8.312) 9.142 10.401 ( 8.257 -16.331 10.325) 21.011 10.741 ( 10.045 24.489 -1.999) 26.545 11.520 ( 16.019 16.357 -5.379) 23.518 13.164 ( -10.156 -7.371 -0.711) 12.569 13.524 ( -6.299 -13.735 -6.049) 16.276 21.584 ( -5.033 -0.044 2.204) 5.494 22.058 ( 2.955 4.003 1.171) 5.112 22.390 ( 5.278 7.861 -3.011) 9.936 22.685 ( 2.419 -2.935 -4.332) 5.765 23.071 ( -4.591 -2.947 -17.487) 18.318 24.025 ( -10.366 8.278 -25.764) 28.979======================= Grid point 82 (32/126) =======================q-point: (-0.25 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( -11.222 33.916 15.610) 38.986 1.840 ( -13.489 30.587 20.708) 39.324 2.635 ( -7.156 19.048 9.966) 22.657 2.972 ( -19.229 49.718 28.638) 60.512 4.457 ( -0.163 6.486 -3.415) 7.332 4.553 ( 19.400 -13.679 3.112) 23.940 5.077 ( 4.339 2.567 -1.775) 5.345 5.110 ( -6.023 -5.820 0.342) 8.383 5.345 ( -1.791 -9.795 1.411) 10.057 5.417 ( -6.935 -10.786 4.690) 13.654 5.552 ( -4.579 4.348 -0.517) 6.336 5.832 ( 1.500 5.807 -10.477) 12.072 6.280 ( 8.326 -4.758 0.406) 9.598 6.310 ( 7.503 12.311 -1.665) 14.513 6.445 ( 3.639 6.369 1.279) 7.446 6.529 ( -8.451 2.338 -2.488) 9.114 6.707 ( -5.781 0.813 -22.816) 23.551 6.808 ( -5.161 2.745 7.851) 9.788 7.133 ( -5.137 1.174 2.176) 5.701 7.587 ( -0.607 -0.987 9.871) 9.938 7.885 ( 0.210 -0.873 0.242) 0.930 8.030 ( 3.583 0.199 4.263) 5.572 8.228 ( -4.627 -11.279 2.762) 12.500 8.264 ( -3.505 -0.342 10.651) 11.218 8.276 ( -1.646 5.942 12.137) 13.614 8.491 ( -0.543 -5.077 8.895) 10.256 8.795 ( 3.925 -12.122 2.229) 12.935 8.990 ( 6.614 -5.742 9.719) 13.083 9.193 ( -2.868 8.334 0.109) 8.814 9.312 ( -2.501 -19.030 10.741) 21.995 9.586 ( -0.825 -0.660 4.964) 5.075 10.520 ( 4.548 27.228 -4.022) 27.896 10.702 ( 5.138 -13.655 11.914) 18.836 11.489 ( 10.944 21.708 -7.414) 25.416 13.141 ( -6.915 -9.767 0.935) 12.003 13.614 ( -5.460 -14.447 -3.336) 15.800 21.522 ( -3.522 -0.733 2.480) 4.369 22.041 ( 0.824 3.063 0.890) 3.294 22.387 ( 9.932 10.867 -5.838) 15.838 22.740 ( -1.167 -2.840 -10.422) 10.865 23.000 ( -6.433 2.484 -21.881) 22.942 23.694 ( -12.654 15.875 -24.148) 31.548======================= Grid point 83 (33/126) =======================q-point: (-0.12 0.12 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 0.000 32.547 21.740) 39.140 1.341 ( 0.000 31.901 27.267) 41.967 2.177 ( 0.000 49.019 46.423) 67.513 2.341 ( 0.000 18.094 8.484) 19.984 4.330 ( 0.000 7.775 -3.763) 8.638 5.018 ( -0.000 -12.214 -8.347) 14.793 5.022 ( -0.000 -10.661 6.526) 12.499 5.077 ( 0.000 7.367 -4.313) 8.537 5.173 ( 0.000 10.440 -7.417) 12.807 5.541 ( -0.000 -12.032 7.686) 14.277 5.696 ( -0.000 -17.846 4.794) 18.479 5.770 ( 0.000 6.690 -14.756) 16.201 6.175 ( 0.000 18.918 -2.070) 19.031 6.365 ( 0.000 10.699 -0.878) 10.735 6.414 ( -0.000 -2.962 2.922) 4.161 6.466 ( -0.000 -5.218 6.547) 8.372 6.599 ( 0.000 1.259 -18.120) 18.164 6.769 ( 0.000 1.015 17.110) 17.140 7.113 ( -0.000 -2.919 0.411) 2.948 7.591 ( -0.000 -0.928 15.092) 15.120 7.887 ( 0.000 0.609 -0.616) 0.866 8.050 ( 0.000 1.450 6.964) 7.114 8.174 ( 0.000 6.576 12.471) 14.099 8.310 ( -0.000 -6.334 9.989) 11.828 8.313 ( -0.000 -9.579 -4.855) 10.739 8.555 ( -0.000 -5.751 7.232) 9.240 8.941 ( -0.000 -5.614 -0.373) 5.627 9.050 ( 0.000 6.272 -1.438) 6.435 9.136 ( -0.000 -2.818 4.827) 5.590 9.490 ( -0.000 -14.008 10.407) 17.450 9.591 ( -0.000 -0.888 4.220) 4.313 10.212 ( 0.000 26.383 -4.142) 26.706 10.888 ( -0.000 -9.827 12.251) 15.705 11.314 ( 0.000 19.344 -8.105) 20.973 13.203 ( -0.000 -8.619 2.955) 9.111 13.713 ( -0.000 -9.952 -0.125) 9.953 21.507 ( -0.000 -1.269 2.319) 2.643 22.015 ( 0.000 1.999 0.550) 2.074 22.414 ( 0.000 6.423 -3.644) 7.384 22.555 ( 0.000 25.847 -42.752) 49.958 22.907 ( -0.000 -1.392 -4.349) 4.567 23.392 ( 0.000 13.886 -10.246) 17.257======================= Grid point 86 (34/126) =======================q-point: ( 0.25 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 31.483 -0.000 15.581) 35.127 2.537 ( 29.910 -0.000 15.212) 33.556 3.288 ( 30.921 -0.000 3.848) 31.160 3.844 ( 30.945 -0.000 11.281) 32.937 4.317 ( -19.691 0.000 -2.129) 19.806 4.468 ( -12.070 0.000 12.153) 17.128 4.875 ( 13.556 -0.000 1.829) 13.678 4.961 ( -21.259 0.000 7.799) 22.644 5.513 ( 15.168 -0.000 -15.159) 21.444 5.584 ( -3.029 0.000 -0.991) 3.187 5.618 ( -10.342 0.000 4.674) 11.349 5.933 ( 4.815 -0.000 -2.963) 5.654 6.009 ( 13.217 -0.000 1.776) 13.336 6.161 ( 5.463 -0.000 -1.349) 5.627 6.394 ( -2.537 0.000 8.005) 8.398 6.765 ( 5.289 -0.000 -24.705) 25.265 7.017 ( -3.587 0.000 -6.566) 7.482 7.081 ( 7.129 -0.000 -7.488) 10.339 7.406 ( 9.374 -0.000 6.745) 11.549 7.477 ( -5.934 0.000 -1.049) 6.026 7.680 ( -9.718 0.000 -4.231) 10.599 8.034 ( -10.710 0.000 7.185) 12.897 8.052 ( -9.263 0.000 9.273) 13.107 8.129 ( 2.533 -0.000 13.952) 14.180 8.317 ( 4.136 -0.000 9.422) 10.290 8.360 ( -12.499 0.000 4.455) 13.269 8.774 ( -8.926 0.000 16.719) 18.953 8.884 ( 3.909 -0.000 10.697) 11.389 8.951 ( -2.417 0.000 -0.727) 2.524 9.190 ( -0.706 0.000 10.250) 10.274 9.718 ( -0.795 0.000 10.646) 10.676 10.378 ( -14.672 0.000 7.969) 16.697 10.883 ( 29.135 -0.000 3.063) 29.296 11.319 ( 9.389 -0.000 -8.874) 12.919 13.307 ( -3.814 0.000 -1.241) 4.011 13.614 ( -20.893 0.000 -10.524) 23.393 21.676 ( -0.271 0.000 1.490) 1.515 22.030 ( 7.477 -0.000 5.409) 9.229 22.285 ( 9.936 -0.000 -3.862) 10.660 22.824 ( -3.539 0.000 -12.036) 12.545 22.914 ( -5.677 0.000 -6.465) 8.604 24.194 ( 7.899 -0.000 -29.156) 30.207======================= Grid point 87 (35/126) =======================q-point: ( 0.38 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( 14.289 -2.278 13.449) 19.755 2.946 ( 28.519 -4.256 9.258) 30.285 3.560 ( 22.486 23.601 3.570) 32.793 3.749 ( -10.764 26.011 5.364) 28.657 4.329 ( -13.368 -15.468 0.562) 20.451 4.459 ( 10.506 -12.317 14.040) 21.429 4.706 ( -14.263 -10.057 12.400) 21.408 5.169 ( 23.634 -1.008 5.392) 24.262 5.393 ( -5.689 11.827 0.550) 13.136 5.441 ( -13.019 -0.789 7.320) 14.956 5.732 ( 4.772 -0.563 -10.098) 11.183 5.950 ( 0.236 14.415 -4.119) 14.994 6.166 ( 9.678 1.546 -5.094) 11.045 6.314 ( 10.357 -3.441 -5.027) 12.015 6.375 ( 7.413 -0.396 6.854) 10.104 6.801 ( -0.053 3.875 -11.449) 12.087 6.929 ( -1.711 5.541 -17.594) 18.525 7.175 ( 1.637 -0.768 -13.396) 13.518 7.363 ( -1.858 2.286 -3.867) 4.862 7.549 ( 1.745 0.139 4.800) 5.109 7.597 ( -9.789 -19.063 -1.477) 21.480 7.829 ( -10.758 1.285 3.916) 11.521 8.054 ( -7.926 -12.556 4.095) 15.402 8.133 ( 0.092 -0.549 18.504) 18.512 8.247 ( -4.214 -2.915 14.926) 15.781 8.380 ( 2.761 -0.653 9.496) 9.911 8.575 ( -13.312 1.899 21.666) 25.499 8.812 ( 3.489 12.046 4.164) 13.215 8.946 ( -4.771 0.445 5.864) 7.572 9.359 ( 7.181 -15.296 7.272) 18.396 9.688 ( -0.797 2.263 8.416) 8.752 10.123 ( -16.162 1.768 9.375) 18.768 11.251 ( 25.874 14.480 -2.055) 29.721 11.504 ( 17.468 -2.420 -5.677) 18.527 13.218 ( -10.827 0.523 -2.671) 11.164 13.317 ( -18.461 -5.435 -6.647) 20.360 21.650 ( -3.174 -0.040 1.595) 3.552 22.129 ( 7.196 2.498 5.691) 9.508 22.445 ( 10.503 0.193 -3.822) 11.179 22.706 ( -3.548 5.930 -6.615) 9.566 22.902 ( -5.504 -8.381 -10.288) 14.366 24.246 ( 0.190 1.091 -23.218) 23.245======================= Grid point 88 (36/126) =======================q-point: (-0.50 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( -13.804 6.260 10.827) 18.626 3.122 ( -2.727 27.159 8.170) 28.492 3.365 ( 8.338 20.934 2.300) 22.650 3.674 ( 28.620 5.747 13.543) 32.180 4.250 ( -6.048 -4.633 5.655) 9.488 4.676 ( -5.845 -16.350 11.156) 20.638 4.871 ( 7.887 -8.448 6.354) 13.189 5.127 ( -9.230 12.983 3.261) 16.259 5.254 ( -13.207 3.369 10.044) 16.931 5.461 ( 12.066 6.529 3.151) 14.076 5.627 ( -0.950 6.353 3.590) 7.359 5.830 ( 5.631 2.741 -7.245) 9.577 6.233 ( 2.791 5.867 -11.600) 13.295 6.497 ( 9.948 -0.002 -6.677) 11.981 6.523 ( 10.361 2.601 -0.856) 10.717 6.695 ( -7.247 0.885 -6.392) 9.704 6.865 ( 1.743 6.218 -20.963) 21.935 7.115 ( -4.955 4.814 -11.144) 13.112 7.318 ( -5.722 1.254 -2.345) 6.310 7.515 ( -4.362 -5.205 -3.355) 7.575 7.722 ( -4.350 -3.663 3.910) 6.902 7.808 ( -2.061 -19.213 2.335) 19.464 8.056 ( -5.358 -5.740 12.760) 14.983 8.148 ( -2.437 -5.229 9.176) 10.839 8.338 ( 2.055 -8.997 16.263) 18.699 8.387 ( -2.928 1.535 18.214) 18.512 8.442 ( 1.242 -4.450 14.915) 15.614 8.711 ( 3.773 14.500 10.578) 18.341 8.882 ( -6.463 -6.299 3.831) 9.804 9.523 ( -1.346 1.480 1.574) 2.545 9.675 ( -3.257 -0.466 8.904) 9.492 9.991 ( -2.547 -13.085 9.822) 16.558 11.309 ( 13.504 19.982 -4.096) 24.463 11.827 ( 24.849 6.845 -5.240) 26.302 12.996 ( -17.549 -5.350 -2.415) 18.504 13.228 ( -9.937 -9.466 -3.803) 14.241 21.587 ( -4.912 0.184 2.252) 5.407 22.167 ( 3.510 4.498 4.504) 7.269 22.551 ( 7.528 5.282 -3.890) 9.985 22.651 ( 2.004 0.164 -4.826) 5.228 22.928 ( -4.634 -7.958 -12.439) 15.477 24.177 ( -5.009 4.155 -20.787) 21.782======================= Grid point 89 (37/126) =======================q-point: (-0.38 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( -16.014 19.682 11.888) 28.021 2.636 ( -6.744 33.374 15.153) 37.269 3.183 ( 5.198 26.796 5.053) 27.759 4.034 ( 7.089 22.695 10.787) 26.109 4.225 ( 16.389 -4.122 10.499) 19.895 4.760 ( -2.052 6.131 -0.415) 6.479 4.844 ( -6.439 -2.454 11.513) 13.418 4.942 ( -14.026 -12.076 5.488) 19.305 5.012 ( -5.661 -3.895 6.721) 9.612 5.544 ( 13.908 12.582 -5.978) 19.684 5.661 ( 0.621 -4.388 6.209) 7.628 5.909 ( -0.926 -0.502 -6.407) 6.493 6.189 ( 6.095 3.876 -4.189) 8.350 6.487 ( -6.849 5.404 -7.896) 11.767 6.568 ( 1.418 3.627 -15.697) 16.173 6.683 ( 9.213 3.952 2.094) 10.242 6.804 ( -1.120 5.504 -18.681) 19.507 6.937 ( -5.920 8.497 -4.689) 11.368 7.181 ( -7.983 2.231 2.168) 8.568 7.557 ( 1.175 -2.562 2.116) 3.525 7.764 ( -0.578 -9.915 -0.486) 9.944 7.896 ( -7.699 -10.012 1.684) 12.742 8.022 ( -1.995 -2.549 18.520) 18.800 8.269 ( -1.764 -2.213 7.083) 7.627 8.389 ( -0.495 -2.568 12.654) 12.922 8.413 ( 4.324 -13.974 6.798) 16.130 8.536 ( 1.314 12.065 10.206) 15.857 8.714 ( 6.685 -14.340 21.382) 26.599 8.911 ( -4.643 -10.949 4.304) 12.648 9.402 ( -4.375 7.392 0.709) 8.619 9.596 ( -2.595 1.352 5.652) 6.365 10.261 ( 3.790 -20.960 10.444) 23.723 11.189 ( 6.940 24.678 -4.133) 25.967 11.999 ( 16.915 17.527 -8.495) 25.797 12.878 ( -11.015 -10.518 -0.264) 15.233 13.244 ( -6.934 -14.636 -1.405) 16.257 21.515 ( -3.853 0.152 2.866) 4.805 22.136 ( 0.691 4.706 3.105) 5.680 22.591 ( 7.654 5.538 -5.619) 10.992 22.688 ( 1.100 -0.086 -3.903) 4.056 22.954 ( -3.285 -5.634 -15.767) 17.062 24.007 ( -6.385 9.250 -21.624) 24.370======================= Grid point 90 (38/126) =======================q-point: (-0.25 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 0.000 28.396 14.107) 31.707 2.166 ( 0.000 34.513 19.456) 39.619 2.888 ( 0.000 26.203 6.259) 26.940 3.480 ( 0.000 52.709 24.539) 58.141 4.586 ( 0.000 11.452 -4.257) 12.217 4.695 ( -0.000 -11.499 -4.234) 12.254 4.708 ( -0.000 -11.022 10.455) 15.192 5.088 ( -0.000 -20.758 10.218) 23.137 5.130 ( -0.000 -13.548 5.761) 14.722 5.490 ( 0.000 12.714 -4.935) 13.638 5.597 ( 0.000 14.928 -6.978) 16.479 5.880 ( -0.000 -0.707 -2.237) 2.346 6.283 ( -0.000 -6.026 3.482) 6.960 6.389 ( 0.000 1.534 -3.859) 4.153 6.509 ( 0.000 5.485 -15.545) 16.484 6.657 ( 0.000 10.336 -15.124) 18.318 6.730 ( 0.000 12.316 -10.388) 16.112 6.799 ( 0.000 1.180 11.098) 11.161 7.086 ( 0.000 0.801 0.550) 0.972 7.576 ( -0.000 -0.206 9.322) 9.324 7.867 ( -0.000 -2.556 0.028) 2.556 7.982 ( -0.000 -16.884 -4.630) 17.507 8.062 ( -0.000 -3.881 16.075) 16.536 8.223 ( 0.000 1.994 11.108) 11.286 8.388 ( 0.000 11.350 12.614) 16.968 8.427 ( -0.000 -4.245 10.027) 10.888 8.655 ( -0.000 -15.849 4.031) 16.354 8.967 ( -0.000 -7.644 3.341) 8.343 9.025 ( -0.000 -21.343 17.228) 27.428 9.272 ( 0.000 8.086 0.089) 8.086 9.573 ( -0.000 -0.157 4.428) 4.430 10.536 ( -0.000 -18.400 10.989) 21.432 10.914 ( 0.000 28.337 -4.168) 28.642 11.876 ( 0.000 23.304 -10.971) 25.757 12.934 ( -0.000 -12.302 1.561) 12.401 13.384 ( -0.000 -16.038 0.274) 16.040 21.486 ( -0.000 -0.353 2.909) 2.930 22.087 ( 0.000 3.896 2.092) 4.422 22.596 ( 0.000 7.699 -4.901) 9.127 22.693 ( -0.000 -2.249 -8.135) 8.440 22.965 ( -0.000 -0.771 -20.358) 20.373 23.797 ( 0.000 15.075 -22.707) 27.255======================= Grid point 95 (39/126) =======================q-point: ( 0.38 0.38 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.938 ( -6.701 0.000 13.870) 15.404 3.339 ( 26.555 -0.000 3.702) 26.812 3.775 ( -5.028 0.000 -4.176) 6.536 3.932 ( -8.199 0.000 8.045) 11.487 4.358 ( 17.131 -0.000 6.792) 18.429 4.384 ( 0.519 -0.000 14.965) 14.974 4.440 ( 5.527 -0.000 17.060) 17.934 5.175 ( -18.063 0.000 12.918) 22.207 5.320 ( -12.573 0.000 -0.550) 12.585 5.484 ( 18.265 -0.000 4.496) 18.810 5.922 ( 13.543 -0.000 -17.089) 21.804 6.141 ( -7.260 0.000 1.938) 7.514 6.152 ( 3.973 -0.000 -10.995) 11.691 6.403 ( 7.232 -0.000 -2.908) 7.795 6.539 ( 15.168 -0.000 3.961) 15.677 6.853 ( -6.345 0.000 -6.800) 9.300 6.994 ( 7.558 -0.000 -19.991) 21.372 7.114 ( -15.619 0.000 -7.859) 17.485 7.250 ( -3.399 0.000 -8.009) 8.700 7.342 ( -3.275 0.000 -7.882) 8.535 7.574 ( 0.636 -0.000 3.865) 3.917 7.710 ( -7.638 0.000 -4.184) 8.709 7.966 ( 5.277 -0.000 14.250) 15.196 8.092 ( -1.317 0.000 26.215) 26.248 8.171 ( -6.279 0.000 11.947) 13.496 8.417 ( 1.952 -0.000 10.902) 11.076 8.432 ( -6.361 0.000 22.072) 22.971 8.763 ( -8.497 0.000 0.872) 8.542 9.108 ( 7.180 -0.000 8.240) 10.929 9.314 ( 6.615 -0.000 8.737) 10.959 9.668 ( -3.323 0.000 4.752) 5.799 9.890 ( -15.499 0.000 9.218) 18.033 11.602 ( 8.415 -0.000 -6.279) 10.500 11.865 ( 32.124 -0.000 -3.317) 32.295 12.931 ( -21.873 0.000 -3.836) 22.207 13.107 ( -9.470 0.000 -3.048) 9.948 21.590 ( -4.698 0.000 2.321) 5.240 22.234 ( 4.352 -0.000 7.226) 8.436 22.616 ( 11.132 -0.000 -5.851) 12.576 22.727 ( -2.524 0.000 -6.663) 7.125 22.741 ( -3.946 0.000 -8.660) 9.517 24.228 ( -3.487 0.000 -19.358) 19.669======================= Grid point 96 (40/126) =======================q-point: (-0.50 0.38 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( -13.596 4.490 13.784) 19.875 3.403 ( -3.487 28.841 10.287) 30.819 3.689 ( 12.605 6.427 -9.579) 17.086 4.042 ( 1.679 -16.131 6.264) 17.386 4.250 ( 14.052 13.800 16.234) 25.523 4.453 ( 0.888 -8.783 19.329) 21.250 4.785 ( -9.819 -0.474 8.167) 12.780 5.041 ( 0.592 -2.445 3.173) 4.049 5.167 ( -1.956 -10.857 9.561) 14.598 5.676 ( 6.890 3.124 1.733) 7.761 5.727 ( -9.174 26.883 3.506) 28.621 6.059 ( 8.537 8.456 -16.843) 20.690 6.296 ( 4.900 -4.354 -8.570) 10.790 6.546 ( 2.486 -3.300 -5.079) 6.547 6.623 ( -6.697 6.876 -11.548) 15.016 6.742 ( 10.141 0.982 3.279) 10.703 6.878 ( -10.061 0.057 -11.109) 14.988 7.116 ( -0.104 2.870 -11.188) 11.551 7.226 ( -5.601 -0.141 -7.760) 9.571 7.346 ( 1.545 -9.269 -12.164) 15.371 7.605 ( -2.195 -3.665 4.709) 6.358 7.690 ( -0.292 -6.101 -1.114) 6.209 7.976 ( 0.431 2.845 18.825) 19.043 8.074 ( -2.862 -2.144 15.154) 15.570 8.237 ( 2.985 -13.818 19.107) 23.768 8.377 ( -0.938 1.253 17.562) 17.632 8.436 ( 1.013 -0.351 14.405) 14.444 8.690 ( -5.591 -6.405 1.617) 8.654 9.009 ( 3.759 20.726 10.514) 23.542 9.511 ( 1.636 -2.957 4.584) 5.695 9.619 ( -3.180 -0.649 3.680) 4.907 9.756 ( -5.779 -14.495 9.333) 18.183 11.638 ( 5.655 10.506 -5.363) 13.081 12.267 ( 22.930 4.312 -7.015) 24.364 12.686 ( -13.321 -4.368 -1.190) 14.069 12.982 ( -10.837 -5.476 -1.936) 12.296 21.522 ( -3.767 0.230 3.072) 4.866 22.250 ( 1.092 3.587 6.108) 7.167 22.657 ( 0.319 2.487 -4.828) 5.440 22.742 ( 6.725 1.780 -7.010) 9.876 22.782 ( -1.713 -6.828 -9.193) 11.579 24.152 ( -3.942 2.868 -17.856) 18.509======================= Grid point 97 (41/126) =======================q-point: (-0.38 0.38 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 0.000 11.502 14.189) 18.266 2.987 ( 0.000 32.446 14.057) 35.360 3.561 ( 0.000 24.748 -4.163) 25.096 4.239 ( -0.000 -4.803 6.452) 8.044 4.488 ( 0.000 0.076 6.877) 6.877 4.516 ( -0.000 -7.846 14.902) 16.841 4.613 ( -0.000 -13.135 19.850) 23.802 4.902 ( 0.000 10.925 -4.328) 11.751 5.170 ( 0.000 31.103 8.510) 32.246 5.523 ( -0.000 -18.524 11.278) 21.687 5.738 ( -0.000 -0.515 -3.041) 3.084 5.987 ( 0.000 13.269 -15.102) 20.103 6.336 ( 0.000 8.549 -2.302) 8.854 6.520 ( 0.000 7.276 -7.897) 10.738 6.524 ( -0.000 -3.321 -22.542) 22.785 6.803 ( 0.000 0.294 -8.544) 8.549 6.825 ( 0.000 1.071 5.890) 5.987 7.027 ( 0.000 9.327 -12.885) 15.906 7.144 ( 0.000 3.476 -4.766) 5.899 7.549 ( -0.000 -16.817 -7.353) 18.354 7.581 ( 0.000 0.332 6.553) 6.561 7.755 ( -0.000 -5.768 1.954) 6.090 7.974 ( -0.000 -1.789 21.934) 22.007 8.168 ( -0.000 -12.792 5.645) 13.982 8.357 ( -0.000 -1.813 13.702) 13.822 8.366 ( -0.000 -0.532 13.454) 13.465 8.536 ( -0.000 -14.094 18.824) 23.515 8.750 ( -0.000 -9.450 2.766) 9.846 8.785 ( 0.000 18.710 12.695) 22.610 9.452 ( 0.000 6.344 2.104) 6.684 9.586 ( 0.000 0.699 3.654) 3.720 10.012 ( -0.000 -23.808 10.051) 25.843 11.507 ( 0.000 18.439 -4.925) 19.085 12.344 ( 0.000 13.815 -10.683) 17.464 12.664 ( -0.000 -8.689 0.238) 8.692 13.003 ( -0.000 -13.395 0.670) 13.412 21.488 ( 0.000 0.345 3.311) 3.329 22.201 ( 0.000 5.051 4.373) 6.681 22.655 ( -0.000 -0.396 -3.654) 3.675 22.756 ( 0.000 4.884 -6.038) 7.766 22.850 ( -0.000 -7.102 -12.833) 14.667 24.059 ( 0.000 6.686 -18.809) 19.962======================= Grid point 105 (42/126) =======================q-point: (-0.50 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.651 ( -0.000 -0.000 14.972) 14.972 3.694 ( -0.000 -0.000 2.478) 2.478 3.770 ( 0.000 0.000 15.584) 15.584 3.849 ( -0.000 -0.000 -16.071) 16.071 4.414 ( -0.000 -0.000 18.891) 18.891 4.459 ( -0.000 -0.000 16.485) 16.485 4.737 ( 0.000 0.000 25.349) 25.349 5.037 ( -0.000 -0.001 5.194) 5.194 5.053 ( 0.000 0.000 -4.182) 4.182 5.733 ( -0.000 -0.000 -0.782) 0.782 5.889 ( 0.000 0.000 4.249) 4.249 6.128 ( -0.000 -0.000 -12.621) 12.621 6.371 ( -0.000 -0.000 -19.434) 19.434 6.512 ( 0.000 0.000 -5.168) 5.168 6.602 ( -0.000 -0.000 -1.927) 1.927 6.726 ( -0.000 -0.000 -4.706) 4.706 6.845 ( -0.000 -0.000 4.688) 4.688 7.164 ( 0.000 0.000 -13.233) 13.233 7.185 ( -0.000 -0.000 -16.996) 16.996 7.303 ( -0.000 -0.000 -13.794) 13.794 7.581 ( -0.000 -0.000 5.856) 5.856 7.635 ( -0.000 -0.000 -1.122) 1.122 8.024 ( 0.000 0.000 14.989) 14.989 8.087 ( 0.000 0.001 13.141) 13.141 8.106 ( -0.000 -0.002 28.325) 28.325 8.383 ( -0.000 -0.000 18.200) 18.200 8.443 ( -0.000 -0.000 15.359) 15.359 8.596 ( -0.000 -0.000 -0.127) 0.127 9.234 ( -0.000 -0.000 11.404) 11.404 9.514 ( 0.000 0.000 8.770) 8.770 9.549 ( 0.000 0.000 7.315) 7.315 9.585 ( -0.000 -0.002 -0.918) 0.918 11.742 ( -0.000 -0.000 -5.526) 5.526 12.515 ( -0.000 -0.000 -10.431) 10.431 12.553 ( -0.000 -0.000 -0.280) 0.280 12.822 ( -0.000 -0.000 0.837) 0.837 21.493 ( -0.000 -0.000 3.441) 3.441 22.282 ( 0.000 0.000 6.664) 6.664 22.688 ( -0.000 -0.008 -5.463) 5.463 22.701 ( 0.000 0.006 -8.820) 8.820 22.818 ( -0.000 -0.000 -6.492) 6.492 24.139 ( -0.000 -0.001 -16.780) 16.780======================= Grid point 134 (43/126) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 0.000 0.000 37.352) 37.352 1.611 ( 0.000 0.000 38.259) 38.259 2.336 ( 0.000 0.000 14.919) 14.919 2.873 ( 0.000 0.000 67.913) 67.913 4.130 ( 0.000 0.000 -6.712) 6.712 4.719 ( 0.000 0.000 -13.069) 13.069 4.801 ( 0.000 0.000 -14.227) 14.227 5.027 ( 0.000 0.000 -10.745) 10.745 5.255 ( 0.000 0.000 -18.473) 18.473 5.565 ( 0.000 0.000 14.644) 14.644 5.685 ( 0.000 0.000 -1.044) 1.044 5.861 ( 0.000 0.000 1.901) 1.901 6.116 ( 0.000 0.000 1.396) 1.396 6.153 ( 0.000 0.000 3.452) 3.452 6.613 ( 0.000 0.000 9.411) 9.411 6.692 ( 0.000 0.000 9.928) 9.928 6.738 ( 0.000 0.000 8.859) 8.859 7.121 ( 0.000 0.000 15.669) 15.669 7.191 ( 0.000 0.000 0.484) 0.484 7.765 ( 0.000 0.000 -8.966) 8.966 8.000 ( 0.000 0.000 15.998) 15.998 8.220 ( 0.000 0.000 11.514) 11.514 8.294 ( 0.000 0.000 -8.524) 8.524 8.380 ( 0.000 0.000 0.011) 0.011 8.537 ( 0.000 0.000 11.090) 11.090 8.664 ( 0.000 0.000 7.251) 7.251 8.791 ( 0.000 0.000 7.244) 7.244 8.914 ( 0.000 0.000 0.364) 0.364 9.327 ( 0.000 0.000 8.685) 8.685 9.700 ( 0.000 0.000 5.007) 5.007 9.948 ( 0.000 0.000 5.342) 5.342 9.995 ( 0.000 0.000 20.564) 20.564 10.945 ( 0.000 0.000 -7.380) 7.380 11.321 ( 0.000 0.000 17.226) 17.226 13.415 ( 0.000 0.000 6.438) 6.438 13.835 ( 0.000 0.000 0.042) 0.042 21.587 ( 0.000 0.000 3.939) 3.939 21.918 ( 0.000 0.000 1.100) 1.100 21.990 ( 0.000 0.000 -0.073) 0.073 22.247 ( 0.000 0.000 -4.765) 4.765 22.915 ( 0.000 0.000 -2.999) 2.999 23.103 ( 0.000 0.000 -5.625) 5.625======================= Grid point 135 (44/126) =======================q-point: ( 0.12 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 17.430 -8.908 31.834) 37.371 1.818 ( 15.457 -13.362 33.326) 39.091 2.493 ( 11.788 -9.573 14.469) 20.975 3.105 ( 17.224 -16.171 61.838) 66.198 4.204 ( 6.575 -3.217 -7.331) 10.359 4.733 ( -1.635 -0.385 -12.116) 12.232 4.876 ( 0.257 2.721 -12.244) 12.545 4.961 ( 2.067 -0.614 -10.257) 10.481 5.231 ( -7.309 -11.104 -10.620) 17.015 5.526 ( 6.636 10.650 4.748) 13.417 5.712 ( 1.500 0.373 1.406) 2.090 5.937 ( -3.709 5.249 3.353) 7.250 6.015 ( 2.833 -4.992 2.197) 6.146 6.200 ( -5.634 -8.430 0.212) 10.141 6.539 ( -4.500 8.059 9.032) 12.914 6.609 ( -4.485 5.041 8.496) 10.849 6.779 ( 8.569 2.793 7.270) 11.579 7.113 ( 0.231 6.218 8.135) 10.242 7.194 ( 2.934 -0.262 6.927) 7.527 7.769 ( 0.040 -0.081 -6.817) 6.818 7.908 ( -8.406 -0.252 9.071) 12.370 8.201 ( 0.300 2.743 9.479) 9.873 8.341 ( 2.116 3.521 -10.908) 11.656 8.413 ( 3.098 -3.810 8.033) 9.415 8.496 ( 0.419 0.135 18.652) 18.657 8.714 ( -4.717 -8.177 3.359) 10.020 8.772 ( 0.404 2.450 7.234) 7.648 8.979 ( 2.941 -6.786 1.301) 7.509 9.327 ( 1.354 2.960 10.379) 10.877 9.671 ( -3.804 -1.812 6.309) 7.587 9.983 ( 3.614 6.903 18.944) 20.483 10.049 ( 5.033 -7.669 4.122) 10.056 10.969 ( -2.883 -7.087 -7.572) 10.764 11.247 ( -5.829 4.843 16.859) 18.484 13.386 ( 0.282 4.434 5.435) 7.020 13.795 ( -1.522 4.924 -2.047) 5.545 21.605 ( 2.803 0.452 4.065) 4.959 21.957 ( -1.666 -4.113 -0.168) 4.440 22.004 ( 1.478 -4.693 -1.397) 5.115 22.353 ( 9.516 -2.721 -8.003) 12.728 22.901 ( 0.333 2.145 -2.536) 3.338 23.182 ( 6.070 -5.157 -7.411) 10.880======================= Grid point 136 (45/126) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( 19.414 -11.627 25.265) 33.917 2.288 ( 20.574 -16.445 24.886) 36.236 2.848 ( 15.197 -12.610 13.833) 24.111 3.694 ( 24.964 -21.195 45.592) 56.134 4.367 ( 8.435 -3.682 -6.336) 11.174 4.532 ( -10.563 11.178 2.388) 15.564 4.785 ( -1.710 -0.070 -9.445) 9.599 5.187 ( 4.507 -11.084 -13.245) 17.850 5.322 ( -2.709 -13.880 -8.611) 16.557 5.476 ( 3.509 10.853 4.384) 12.219 5.709 ( 4.388 6.439 0.890) 7.842 5.812 ( 2.137 4.689 4.028) 6.540 6.095 ( -6.406 -4.598 1.620) 8.050 6.211 ( -6.119 -6.410 -2.143) 9.118 6.392 ( 1.715 5.549 1.974) 6.134 6.464 ( -6.524 5.861 8.267) 12.052 6.851 ( 6.501 7.729 3.261) 10.613 7.022 ( -0.307 4.650 3.691) 5.945 7.253 ( 3.421 -0.947 6.357) 7.281 7.716 ( -5.479 1.800 2.203) 6.173 7.875 ( 0.240 -4.793 -0.332) 4.810 8.183 ( 2.826 4.192 11.898) 12.927 8.287 ( -3.271 0.012 -5.852) 6.704 8.504 ( -2.946 -4.557 10.672) 11.973 8.540 ( 6.919 0.301 8.925) 11.297 8.720 ( -1.401 -2.120 7.540) 7.957 8.742 ( -1.304 1.656 7.820) 8.099 9.157 ( 5.735 -10.263 3.031) 12.141 9.287 ( -0.226 4.131 14.595) 15.170 9.643 ( -4.986 -3.444 10.454) 12.084 9.900 ( 1.962 11.962 17.320) 21.141 10.251 ( 5.873 -10.081 2.082) 11.852 10.971 ( -8.641 2.499 2.827) 9.429 11.091 ( -5.415 -2.839 5.416) 8.168 13.336 ( 1.502 5.235 2.551) 6.014 13.672 ( -3.953 7.783 -5.144) 10.132 21.653 ( 3.870 0.397 3.723) 5.385 21.965 ( -1.495 -2.483 -0.302) 2.914 22.135 ( 4.064 -7.938 -1.878) 9.113 22.511 ( 6.038 -1.828 -10.618) 12.351 22.883 ( 0.391 1.542 -3.280) 3.645 23.388 ( 10.372 -7.009 -13.471) 18.390======================= Grid point 137 (46/126) =======================q-point: ( 0.38 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 14.364 -8.338 18.813) 25.095 2.793 ( 19.486 -16.779 16.349) 30.472 3.174 ( 9.429 -8.283 15.336) 19.817 3.868 ( -12.505 11.570 16.359) 23.619 4.515 ( 10.333 -0.742 -3.344) 10.886 4.677 ( 21.465 -18.772 27.456) 39.585 4.743 ( -4.639 -0.743 -6.559) 8.068 5.244 ( -10.312 -5.334 -0.860) 11.641 5.348 ( 3.149 0.841 -4.899) 5.884 5.509 ( 1.988 -0.235 0.392) 2.040 5.706 ( 5.763 7.885 2.616) 10.111 5.857 ( 5.425 -0.539 1.043) 5.550 5.987 ( -7.394 3.587 -2.216) 8.512 6.169 ( -7.330 -5.530 -1.710) 9.340 6.323 ( -2.407 2.206 -2.784) 4.291 6.411 ( 0.967 1.139 4.602) 4.838 6.781 ( 1.112 8.487 -1.174) 8.640 6.994 ( -1.091 1.363 0.111) 1.749 7.337 ( 4.107 -4.196 -0.148) 5.874 7.618 ( -3.582 2.853 1.651) 4.868 7.961 ( 1.192 -5.298 3.694) 6.568 8.181 ( 3.453 3.618 12.977) 13.908 8.249 ( -3.009 -0.654 -3.730) 4.837 8.478 ( -4.186 -1.907 0.769) 4.663 8.639 ( 4.610 -0.821 9.778) 10.842 8.704 ( -0.476 1.458 10.313) 10.427 8.766 ( 5.209 -2.951 13.509) 14.776 9.221 ( -4.607 3.895 17.020) 18.058 9.284 ( -2.538 -1.861 7.007) 7.681 9.615 ( 1.912 1.544 17.082) 17.258 9.858 ( 4.995 -1.444 12.894) 13.903 10.426 ( 2.357 -6.571 1.752) 7.198 10.692 ( -11.272 11.397 10.901) 19.385 11.128 ( -2.234 -6.679 -4.141) 8.170 13.313 ( 2.257 3.011 -0.115) 3.764 13.517 ( -4.392 6.127 -7.024) 10.303 21.699 ( 2.488 0.167 2.671) 3.654 21.975 ( -0.655 -1.589 -0.009) 1.718 22.296 ( 5.288 -6.148 0.469) 8.122 22.557 ( -0.113 1.056 -6.321) 6.410 22.876 ( 0.274 0.393 -7.174) 7.190 23.606 ( 7.562 -4.738 -19.491) 21.437======================= Grid point 138 (47/126) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 0.000 -0.000 15.159) 15.159 3.156 ( 0.000 -0.000 3.373) 3.373 3.293 ( -0.000 -0.000 18.113) 18.113 3.566 ( -0.000 0.000 25.225) 25.225 4.603 ( -0.000 -0.000 -0.909) 0.909 4.693 ( 0.000 -0.000 -8.008) 8.008 5.144 ( 0.006 0.002 11.255) 11.255 5.146 ( -0.006 -0.002 10.743) 10.743 5.403 ( -0.001 0.000 -9.383) 9.383 5.410 ( 0.001 -0.000 24.356) 24.356 5.704 ( 0.000 -0.000 1.886) 1.886 5.873 ( 0.000 -0.000 -4.085) 4.085 5.920 ( -0.000 -0.000 -4.867) 4.867 6.143 ( 0.000 -0.000 -1.410) 1.410 6.330 ( -0.000 0.000 -16.653) 16.653 6.381 ( 0.000 -0.000 13.002) 13.002 6.736 ( -0.000 -0.000 -0.626) 0.626 6.967 ( 0.000 0.000 -5.880) 5.880 7.427 ( 0.000 0.000 -1.591) 1.591 7.553 ( 0.000 -0.000 -0.079) 0.079 8.004 ( 0.000 0.000 6.758) 6.758 8.190 ( 0.000 -0.000 13.975) 13.975 8.222 ( 0.000 -0.000 -3.878) 3.878 8.456 ( 0.000 -0.000 -2.024) 2.024 8.680 ( 0.000 -0.000 7.774) 7.774 8.686 ( -0.000 0.000 12.424) 12.424 8.960 ( 0.000 -0.000 18.139) 18.139 9.009 ( -0.000 0.000 15.420) 15.420 9.262 ( 0.000 -0.000 13.244) 13.244 9.628 ( -0.000 -0.000 14.255) 14.255 9.990 ( 0.000 -0.000 13.112) 13.112 10.407 ( -0.000 0.000 9.728) 9.728 10.551 ( -0.000 -0.000 1.983) 1.983 11.154 ( 0.000 -0.000 -4.214) 4.214 13.320 ( -0.000 0.000 -0.461) 0.461 13.434 ( 0.000 -0.000 -8.287) 8.287 21.717 ( 0.000 -0.000 2.067) 2.067 21.981 ( -0.000 -0.000 0.172) 0.172 22.397 ( 0.000 -0.000 3.001) 3.001 22.524 ( 0.000 -0.000 -4.587) 4.587 22.877 ( -0.000 -0.000 -9.481) 9.481 23.694 ( 0.000 -0.000 -21.439) 21.439======================= Grid point 144 (48/126) =======================q-point: ( 0.12 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 25.961 -0.000 25.275) 36.233 2.047 ( 26.477 -0.000 30.700) 40.540 2.688 ( 20.866 -0.000 13.170) 24.674 3.377 ( 31.623 -0.000 54.979) 63.425 4.327 ( 11.379 -0.000 -8.805) 14.387 4.795 ( 5.013 -0.000 -12.938) 13.875 4.859 ( -18.415 0.000 -5.459) 19.207 4.962 ( 8.062 -0.000 -14.329) 16.441 5.040 ( -0.822 0.000 -3.669) 3.760 5.708 ( 5.152 -0.000 6.579) 8.356 5.710 ( 1.852 -0.000 -3.535) 3.991 5.907 ( -5.483 0.000 5.665) 7.884 5.986 ( -5.390 0.000 0.105) 5.392 6.099 ( 3.192 -0.000 -1.443) 3.504 6.524 ( -9.496 0.000 6.485) 11.499 6.556 ( -1.182 0.000 8.676) 8.756 6.906 ( 6.621 -0.000 6.115) 9.013 7.148 ( -3.486 0.000 0.442) 3.514 7.278 ( 8.732 -0.000 12.401) 15.167 7.751 ( -10.125 0.000 5.093) 11.333 7.771 ( -0.357 0.000 -4.697) 4.710 8.218 ( -1.405 0.000 6.008) 6.170 8.292 ( -7.605 0.000 -15.447) 17.218 8.457 ( 3.630 -0.000 21.153) 21.463 8.556 ( 4.353 -0.000 11.477) 12.275 8.580 ( -2.894 0.000 10.382) 10.778 8.819 ( 2.361 -0.000 7.442) 7.807 8.963 ( 2.350 -0.000 2.652) 3.543 9.367 ( 0.238 -0.000 13.751) 13.753 9.550 ( -8.033 0.000 8.468) 11.672 10.066 ( 0.675 -0.000 17.286) 17.299 10.165 ( 14.204 -0.000 2.992) 14.515 10.912 ( 1.180 -0.000 -9.464) 9.537 11.153 ( -10.392 0.000 16.629) 19.609 13.400 ( -1.656 0.000 3.944) 4.277 13.772 ( -6.028 0.000 -6.259) 8.690 21.659 ( 3.645 -0.000 3.542) 5.082 21.959 ( 3.738 -0.000 3.675) 5.242 21.998 ( 2.906 -0.000 -3.569) 4.602 22.483 ( 8.687 -0.000 -10.593) 13.700 22.909 ( -1.298 0.000 -3.844) 4.057 23.291 ( 12.630 -0.000 -10.971) 16.729======================= Grid point 145 (49/126) =======================q-point: ( 0.25 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( 26.157 -2.482 19.904) 32.962 2.505 ( 27.939 -4.623 24.797) 37.641 3.034 ( 21.634 -1.562 12.138) 24.856 3.931 ( 27.362 -6.695 38.053) 47.345 4.479 ( 0.606 3.337 -0.140) 3.394 4.541 ( 1.400 3.703 -2.076) 4.470 4.838 ( 0.566 4.735 -9.891) 10.980 5.015 ( -2.871 -5.945 -1.476) 6.765 5.215 ( 6.151 -12.567 -11.677) 18.224 5.617 ( -0.600 8.791 3.878) 9.628 5.793 ( -1.586 -4.097 0.632) 4.438 5.876 ( 4.305 2.207 2.733) 5.556 5.963 ( -0.643 -2.143 0.102) 2.240 6.129 ( -1.029 0.250 0.516) 1.178 6.376 ( -6.935 1.237 -2.867) 7.606 6.525 ( 2.169 5.434 8.844) 10.605 6.955 ( 0.064 3.050 3.134) 4.373 7.056 ( -3.898 3.263 -0.941) 5.170 7.351 ( 5.575 6.703 6.217) 10.708 7.632 ( -5.474 -1.619 3.606) 6.752 7.796 ( -1.901 -6.693 0.844) 7.009 8.150 ( -8.482 -2.616 -5.776) 10.590 8.233 ( -3.287 -4.348 -1.589) 5.677 8.456 ( 0.003 3.150 16.134) 16.439 8.605 ( 1.474 -2.637 10.662) 11.082 8.617 ( -0.631 -5.159 15.416) 16.268 8.809 ( 2.679 6.242 7.302) 9.973 9.084 ( 1.678 -10.409 4.038) 11.290 9.311 ( -3.638 3.492 16.544) 17.295 9.492 ( -4.350 -6.272 11.941) 14.172 10.009 ( -2.100 6.052 17.479) 18.616 10.399 ( 16.513 1.781 2.162) 16.749 10.919 ( -6.280 6.367 5.080) 10.285 11.021 ( 1.598 -2.883 0.302) 3.310 13.356 ( -3.121 0.664 1.279) 3.437 13.624 ( -11.085 2.336 -8.105) 13.930 21.701 ( 1.912 0.072 2.421) 3.086 21.998 ( 5.283 3.395 1.336) 6.420 22.131 ( 7.140 -6.736 -0.353) 9.823 22.575 ( 3.468 0.418 -9.074) 9.723 22.872 ( -3.243 -0.280 -4.841) 5.834 23.512 ( 13.264 -2.298 -17.427) 22.021======================= Grid point 146 (50/126) =======================q-point: ( 0.38 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 22.067 3.573 13.713) 26.226 2.953 ( 22.669 -6.040 17.362) 29.186 3.300 ( 13.444 2.096 13.403) 19.099 3.874 ( -10.954 17.594 16.477) 26.477 4.655 ( 11.619 -3.841 3.314) 12.678 4.685 ( -9.015 -2.163 -2.095) 9.504 4.784 ( 10.492 -6.357 6.252) 13.768 5.118 ( 12.220 -5.042 12.229) 18.008 5.366 ( 1.381 -2.213 -6.608) 7.104 5.589 ( 3.109 1.073 -0.920) 3.415 5.762 ( -7.651 -3.247 5.824) 10.149 5.889 ( -2.411 9.622 4.831) 11.033 5.922 ( 0.553 1.038 -1.301) 1.754 6.138 ( 4.422 0.764 -2.639) 5.206 6.328 ( 1.382 0.006 -14.903) 14.967 6.492 ( 2.794 6.082 14.392) 15.872 6.817 ( -6.874 6.206 -2.792) 9.672 6.995 ( -1.859 1.744 -4.758) 5.398 7.346 ( 0.882 -1.397 -0.853) 1.860 7.596 ( -1.694 1.527 1.227) 2.590 7.868 ( -1.976 -8.863 4.959) 10.347 8.079 ( -10.360 -9.386 -3.468) 14.404 8.268 ( 1.137 -3.261 4.723) 5.851 8.406 ( -1.886 2.297 8.845) 9.331 8.651 ( -2.269 -3.290 12.498) 13.121 8.667 ( 1.800 -3.233 13.919) 14.402 8.808 ( 4.495 -0.384 11.541) 12.392 9.085 ( -12.328 -0.899 8.775) 15.159 9.226 ( -4.296 -0.423 15.938) 16.512 9.610 ( 4.389 -8.445 13.861) 16.814 9.918 ( 0.729 2.957 15.051) 15.356 10.484 ( -4.914 4.963 8.500) 11.002 10.766 ( 9.573 12.378 3.315) 15.995 11.160 ( 10.975 -0.474 -5.190) 12.149 13.302 ( -4.542 -1.151 -0.654) 4.731 13.426 ( -12.195 -0.490 -8.005) 14.596 21.713 ( -0.361 -0.153 1.995) 2.033 22.038 ( 6.208 4.384 0.412) 7.611 22.322 ( 7.416 -5.177 1.743) 9.211 22.570 ( -1.197 2.727 -4.832) 5.676 22.838 ( -3.552 -2.746 -7.679) 8.895 23.689 ( 7.163 -0.359 -20.892) 22.088======================= Grid point 147 (51/126) =======================q-point: (-0.50 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( 8.171 19.823 12.025) 24.583 3.159 ( -5.557 7.751 7.988) 12.441 3.363 ( 1.657 7.711 15.540) 17.427 3.666 ( 13.290 1.513 23.574) 27.105 4.536 ( -8.426 -0.440 -0.570) 8.457 4.816 ( 10.180 3.656 -2.828) 11.180 4.904 ( -4.163 -5.190 6.034) 8.982 5.364 ( -4.132 2.204 -0.316) 4.694 5.431 ( 10.124 -2.259 19.954) 22.489 5.505 ( -4.248 15.044 11.030) 19.132 5.619 ( -2.960 1.687 3.786) 5.094 5.783 ( -1.550 -5.483 -1.904) 6.008 5.936 ( 1.031 0.667 -7.516) 7.616 6.255 ( 8.705 -1.170 -3.523) 9.463 6.325 ( 1.164 1.935 -11.279) 11.503 6.474 ( 4.199 7.042 4.937) 9.570 6.671 ( -6.655 0.152 -3.546) 7.542 6.975 ( 0.457 -0.247 -3.967) 4.001 7.398 ( -1.751 -3.802 -0.673) 4.239 7.530 ( -2.789 0.063 -2.344) 3.644 7.931 ( -2.342 -5.911 6.577) 9.148 8.088 ( -6.600 -12.171 -3.017) 14.170 8.287 ( 2.526 7.790 14.028) 16.243 8.395 ( -1.899 -8.596 -0.854) 8.845 8.632 ( -2.926 -0.481 11.113) 11.502 8.700 ( 0.924 1.586 11.715) 11.858 8.854 ( -12.101 2.850 13.575) 18.407 8.997 ( 7.840 -12.047 20.189) 24.783 9.190 ( -4.450 -4.786 12.743) 14.321 9.631 ( -3.227 3.842 11.952) 12.963 9.966 ( -3.634 0.410 12.771) 13.285 10.366 ( 0.347 -7.486 11.175) 13.455 10.793 ( 13.649 16.946 -0.347) 21.762 11.318 ( 14.674 7.220 -5.209) 17.164 13.219 ( -10.176 -4.104 -1.739) 11.109 13.347 ( -4.574 -7.174 -5.649) 10.212 21.694 ( -2.443 -0.129 2.685) 3.632 22.068 ( 5.949 5.675 -0.060) 8.222 22.413 ( -0.169 2.782 1.692) 3.260 22.532 ( 1.276 -0.327 -4.524) 4.712 22.831 ( -2.733 -3.495 -7.971) 9.122 23.716 ( -0.711 3.876 -20.715) 21.087======================= Grid point 148 (52/126) =======================q-point: (-0.38 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( -4.144 27.122 17.487) 32.536 2.764 ( -14.945 20.497 17.301) 30.705 3.197 ( -6.462 14.005 15.525) 21.884 3.991 ( 16.461 -2.362 15.796) 22.936 4.409 ( -6.068 4.919 6.273) 10.019 4.684 ( -10.169 18.147 14.735) 25.492 4.912 ( 9.631 8.783 -6.296) 14.476 5.202 ( -5.557 -4.851 5.556) 9.235 5.354 ( -4.345 0.131 0.458) 4.371 5.489 ( -7.118 -8.650 5.418) 12.443 5.642 ( 5.150 9.270 -1.054) 10.657 5.760 ( -5.483 2.051 -2.810) 6.494 6.030 ( 6.852 -6.002 -4.294) 10.070 6.312 ( 3.993 -0.965 -2.521) 4.820 6.418 ( 8.124 5.742 -4.735) 11.018 6.445 ( 3.072 3.918 1.221) 5.127 6.611 ( -6.917 -7.075 -0.697) 9.919 6.979 ( -1.277 -0.784 3.074) 3.420 7.314 ( -6.074 2.984 1.314) 6.894 7.607 ( 3.552 -7.702 0.572) 8.501 7.936 ( -3.928 -2.250 4.120) 6.121 8.096 ( -7.396 -4.492 -0.524) 8.669 8.248 ( 2.194 0.942 7.553) 7.921 8.516 ( -1.459 -7.551 1.099) 7.769 8.582 ( 1.671 1.556 10.265) 10.516 8.674 ( -1.074 -0.006 13.300) 13.344 8.722 ( -2.822 1.148 13.004) 13.356 9.165 ( -2.631 -5.511 16.408) 17.508 9.296 ( 3.691 -8.028 8.254) 12.092 9.516 ( -5.710 -2.283 16.316) 17.437 9.806 ( -6.945 3.846 10.161) 12.895 10.598 ( 7.907 -2.653 4.885) 9.665 10.759 ( 9.338 7.994 7.430) 14.363 11.391 ( 13.039 15.336 -6.713) 21.220 13.156 ( -8.526 -8.918 0.246) 12.340 13.424 ( -1.265 -11.677 -3.367) 12.218 21.647 ( -3.823 -0.012 3.957) 5.502 22.074 ( 4.529 6.099 -0.049) 7.597 22.323 ( -1.385 6.878 -3.058) 7.654 22.549 ( -0.988 1.023 -7.842) 7.970 22.837 ( -1.651 -2.705 -4.051) 5.143 23.584 ( -6.183 8.209 -17.424) 20.229======================= Grid point 149 (53/126) =======================q-point: (-0.25 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( -9.335 26.328 23.654) 36.604 2.311 ( -8.354 24.776 25.818) 36.745 2.873 ( -7.840 18.951 14.170) 24.927 3.761 ( -10.388 33.325 45.786) 57.574 4.363 ( -3.109 9.371 -5.699) 11.400 4.579 ( 12.078 -9.360 -0.249) 15.282 4.921 ( 7.312 10.387 -10.873) 16.720 5.175 ( -7.365 -4.393 1.059) 8.640 5.264 ( -12.353 6.381 -6.720) 15.442 5.490 ( 2.752 -7.101 1.283) 7.723 5.604 ( 0.394 4.027 -3.784) 5.540 5.703 ( -2.638 -6.808 5.733) 9.283 6.201 ( 6.218 -4.301 -3.995) 8.551 6.356 ( 0.249 5.177 0.888) 5.259 6.407 ( 6.001 6.130 -2.641) 8.976 6.473 ( 2.332 -2.159 3.503) 4.730 6.627 ( -7.054 -9.672 7.454) 14.102 6.996 ( 2.515 -2.647 7.093) 7.978 7.196 ( -6.856 0.442 5.149) 8.585 7.749 ( 3.813 -3.068 1.324) 5.070 7.896 ( -0.661 -1.071 2.226) 2.557 8.082 ( -3.125 -7.718 1.275) 8.424 8.275 ( -0.605 -0.923 3.300) 3.480 8.448 ( -4.359 1.230 8.810) 9.906 8.620 ( 2.618 6.426 17.699) 19.011 8.684 ( -1.705 -2.509 9.781) 10.240 8.774 ( 5.015 -6.064 1.057) 7.939 9.144 ( -5.929 1.434 3.736) 7.153 9.259 ( -0.860 1.713 8.550) 8.763 9.651 ( 1.416 -11.851 18.043) 21.633 9.721 ( -3.960 -4.085 11.061) 12.439 10.473 ( 3.079 23.933 -0.296) 24.132 10.987 ( 5.961 -13.313 14.628) 20.658 11.329 ( 6.991 18.536 -7.332) 21.124 13.186 ( -4.198 -11.276 3.613) 12.563 13.572 ( 0.175 -12.711 -1.030) 12.753 21.594 ( -3.011 -0.246 4.685) 5.575 22.057 ( 2.465 4.899 0.488) 5.506 22.225 ( 1.990 10.037 -8.065) 13.029 22.457 ( -6.126 4.923 -10.038) 12.748 22.847 ( -0.779 -2.029 -0.745) 2.298 23.375 ( -5.531 9.785 -11.570) 16.131======================= Grid point 150 (54/126) =======================q-point: (-0.12 0.12 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 0.000 22.170 30.064) 37.354 1.937 ( 0.000 23.636 31.595) 39.458 2.577 ( 0.000 17.452 14.704) 22.821 3.264 ( 0.000 29.768 58.339) 65.495 4.224 ( 0.000 7.582 -6.829) 10.204 4.825 ( -0.000 -9.669 -10.167) 14.031 4.866 ( 0.000 10.943 -12.336) 16.490 4.959 ( 0.000 10.835 -13.163) 17.049 5.266 ( -0.000 -14.428 12.073) 18.813 5.456 ( 0.000 11.537 -16.106) 19.812 5.656 ( -0.000 -6.933 3.358) 7.703 5.831 ( -0.000 -13.548 7.268) 15.374 6.141 ( 0.000 14.473 -0.730) 14.491 6.352 ( 0.000 8.416 -0.534) 8.433 6.478 ( -0.000 -14.544 1.728) 14.646 6.536 ( -0.000 -5.170 8.661) 10.087 6.645 ( -0.000 -4.824 10.627) 11.670 7.087 ( -0.000 -2.527 13.936) 14.163 7.130 ( -0.000 -2.918 1.517) 3.289 7.771 ( 0.000 0.422 -6.490) 6.503 7.953 ( -0.000 -3.607 14.784) 15.218 8.184 ( -0.000 -8.889 -7.969) 11.938 8.231 ( 0.000 1.959 7.968) 8.205 8.415 ( 0.000 0.153 4.275) 4.278 8.550 ( 0.000 6.747 21.830) 22.849 8.715 ( -0.000 -3.922 8.207) 9.096 8.848 ( 0.000 2.514 -2.524) 3.563 9.031 ( 0.000 6.462 -0.213) 6.465 9.278 ( -0.000 -3.272 9.177) 9.743 9.690 ( -0.000 -0.642 5.161) 5.201 9.837 ( -0.000 -11.937 21.888) 24.931 10.208 ( 0.000 20.782 2.717) 20.958 11.122 ( 0.000 7.897 -2.931) 8.423 11.219 ( -0.000 -2.161 11.351) 11.555 13.290 ( -0.000 -9.729 5.674) 11.263 13.714 ( -0.000 -9.659 0.223) 9.662 21.576 ( -0.000 -0.634 4.489) 4.533 22.028 ( 0.000 3.124 0.618) 3.184 22.110 ( 0.000 12.638 -9.112) 15.580 22.319 ( 0.000 5.335 -5.591) 7.728 22.867 ( -0.000 -2.333 -0.825) 2.475 23.221 ( 0.000 8.120 -7.764) 11.234======================= Grid point 153 (55/126) =======================q-point: ( 0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 186Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.760 ( 23.470 -0.000 14.383) 27.527 2.930 ( 27.736 -0.000 22.852) 35.937 3.400 ( 24.700 -0.000 7.334) 25.766 4.249 ( 13.358 -0.000 26.733) 29.885 4.337 ( -13.756 0.000 4.660) 14.523 4.609 ( 3.233 -0.000 0.636) 3.295 4.965 ( 17.940 -0.000 3.572) 18.292 4.985 ( -9.723 0.000 -6.235) 11.551 5.244 ( 13.581 -0.000 -5.612) 14.694 5.662 ( -4.262 0.000 8.304) 9.334 5.672 ( -3.218 0.000 -0.865) 3.332 5.952 ( -1.774 0.000 5.406) 5.690 6.028 ( 10.454 -0.000 -0.569) 10.469 6.130 ( 1.196 -0.000 -1.435) 1.868 6.329 ( 2.117 -0.000 -13.800) 13.962 6.583 ( 0.748 -0.000 7.912) 7.947 6.971 ( -1.342 0.000 -1.363) 1.912 6.987 ( -6.910 0.000 -1.262) 7.024 7.498 ( -6.938 0.000 4.007) 8.012 7.513 ( 2.646 -0.000 4.537) 5.252 7.678 ( -5.012 0.000 3.630) 6.188 7.956 ( -14.686 0.000 -12.062) 19.005 8.123 ( -2.542 0.000 1.863) 3.152 8.502 ( -0.148 0.000 18.430) 18.431 8.572 ( 2.227 -0.000 14.854) 15.020 8.598 ( -1.208 0.000 15.951) 15.996 8.943 ( 3.159 -0.000 5.069) 5.973 8.983 ( -2.608 0.000 3.530) 4.388 9.251 ( -6.254 0.000 20.415) 21.351 9.415 ( 0.878 -0.000 11.844) 11.877 10.003 ( -3.428 0.000 16.751) 17.098 10.556 ( -4.913 0.000 8.589) 9.895 10.984 ( 16.111 -0.000 7.054) 17.587 11.112 ( 11.107 -0.000 -10.539) 15.311 13.284 ( -6.302 0.000 -0.788) 6.351 13.419 ( -17.187 0.000 -7.735) 18.847 21.712 ( -0.371 0.000 1.978) 2.012 22.169 ( 8.185 -0.000 -7.279) 10.953 22.181 ( 9.979 -0.000 9.224) 13.589 22.616 ( 1.273 -0.000 -6.990) 7.105 22.789 ( -6.871 0.000 -4.791) 8.376 23.683 ( 10.160 -0.000 -20.339) 22.735======================= Grid point 154 (56/126) =======================q-point: ( 0.38 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 19.260 -1.035 7.230) 20.598 3.249 ( 13.239 1.095 20.231) 24.203 3.611 ( 10.205 12.224 4.030) 16.426 4.031 ( 4.992 21.415 19.412) 29.331 4.430 ( -9.424 -9.069 8.017) 15.340 4.725 ( 7.228 -7.631 10.179) 14.632 4.825 ( -3.491 -2.212 -0.845) 4.218 5.284 ( 13.176 -3.530 -4.050) 14.229 5.470 ( 14.805 0.117 9.473) 17.577 5.556 ( -9.035 1.691 7.324) 11.753 5.635 ( -3.018 -4.095 3.343) 6.087 5.882 ( -1.595 5.900 2.904) 6.766 6.096 ( 2.658 5.839 -2.131) 6.760 6.224 ( 9.763 0.865 -4.933) 10.972 6.403 ( 5.981 3.792 -16.069) 17.561 6.589 ( 3.389 0.004 9.872) 10.438 6.794 ( -7.908 9.721 -3.455) 12.999 6.969 ( -1.436 -1.248 -6.680) 6.945 7.304 ( -7.438 2.826 -2.581) 8.365 7.600 ( -12.550 -5.634 1.100) 13.800 7.632 ( 0.814 -8.925 3.218) 9.522 7.814 ( -8.538 -7.906 -1.636) 11.751 8.163 ( 1.070 -5.954 4.914) 7.794 8.462 ( -1.725 3.509 14.104) 14.636 8.613 ( 1.012 -2.495 17.427) 17.633 8.631 ( 2.390 -3.793 16.154) 16.764 8.892 ( -2.375 3.312 4.674) 6.202 8.911 ( -7.776 0.681 9.523) 12.313 9.174 ( -1.646 4.522 17.120) 17.784 9.557 ( 5.359 -11.479 12.418) 17.740 9.923 ( -4.307 1.533 13.955) 14.685 10.354 ( -15.393 2.070 12.660) 20.038 11.181 ( 17.603 12.957 -4.667) 22.350 11.393 ( 22.309 -2.155 -4.366) 22.834 13.148 ( -16.896 -1.205 -4.107) 17.429 13.202 ( -9.342 -3.981 -3.689) 10.805 21.694 ( -2.054 0.027 2.700) 3.393 22.230 ( 8.996 7.019 -0.445) 11.419 22.383 ( 8.365 -4.561 2.381) 9.821 22.586 ( -2.202 3.963 -4.244) 6.210 22.719 ( -5.209 -4.966 -6.209) 9.505 23.782 ( 3.641 1.392 -20.672) 21.037======================= Grid point 155 (57/126) =======================q-point: (-0.50 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( -9.950 10.870 13.260) 19.823 3.274 ( 6.848 18.180 7.971) 20.998 3.490 ( -0.569 11.208 11.506) 16.073 4.032 ( 23.150 13.438 20.353) 33.626 4.406 ( -1.466 -6.150 8.088) 10.265 4.787 ( -2.364 -4.910 0.655) 5.489 5.020 ( 9.433 -4.245 5.463) 11.699 5.319 ( -14.336 2.195 6.382) 15.845 5.363 ( 1.279 3.924 4.534) 6.131 5.631 ( -3.790 16.976 14.267) 22.497 5.702 ( 4.613 -2.088 -0.266) 5.070 5.753 ( 2.199 -3.411 8.256) 9.200 6.028 ( 4.219 7.942 -7.695) 11.836 6.303 ( 3.010 1.663 -8.187) 8.880 6.451 ( 6.175 3.760 -4.407) 8.467 6.577 ( -2.656 3.146 -10.485) 11.264 6.638 ( 1.454 5.804 -1.306) 6.125 6.973 ( -0.295 0.137 -1.901) 1.929 7.280 ( -2.451 -8.895 -2.383) 9.529 7.433 ( -11.336 -3.004 -4.180) 12.450 7.805 ( -0.734 -12.793 3.728) 13.346 7.827 ( -4.630 -9.211 2.102) 10.521 8.256 ( 0.443 -7.574 6.845) 10.218 8.374 ( -2.686 4.270 11.527) 12.582 8.640 ( 2.577 2.151 14.894) 15.268 8.706 ( -5.923 1.620 10.203) 11.909 8.761 ( 1.485 -2.841 14.718) 15.063 8.965 ( 2.493 -9.752 12.041) 15.694 9.089 ( -1.609 3.643 18.475) 18.899 9.616 ( -4.930 3.859 8.722) 10.736 9.892 ( -6.423 -0.275 11.817) 13.453 10.227 ( -2.014 -13.394 12.377) 18.348 11.219 ( 12.210 17.228 -3.865) 21.467 11.696 ( 21.443 7.981 -7.248) 24.001 12.950 ( -14.985 -6.893 -1.594) 16.572 13.158 ( -6.952 -8.830 -2.628) 11.541 21.651 ( -3.305 0.274 4.094) 5.269 22.250 ( 5.566 8.059 1.660) 9.934 22.462 ( 1.037 4.349 -3.389) 5.610 22.553 ( 2.453 -0.735 -4.193) 4.913 22.734 ( -2.202 -5.580 -4.348) 7.409 23.752 ( -2.148 5.007 -19.248) 20.004======================= Grid point 156 (58/126) =======================q-point: (-0.38 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.776 ( -11.251 19.546 18.297) 29.042 2.979 ( -1.125 29.160 18.350) 34.471 3.326 ( -1.357 16.617 9.335) 19.108 4.301 ( 22.070 4.568 12.640) 25.840 4.474 ( 5.393 4.062 10.869) 12.796 4.730 ( -7.469 8.504 2.754) 11.648 5.061 ( -15.938 4.837 9.173) 19.015 5.117 ( 0.217 -0.508 0.770) 0.948 5.230 ( -0.543 2.487 20.738) 20.893 5.433 ( 3.593 6.816 -2.510) 8.103 5.664 ( -6.275 4.997 -4.909) 9.404 5.852 ( 2.790 3.891 -0.961) 4.884 6.083 ( 7.918 -1.974 -7.851) 11.324 6.340 ( 1.611 -1.868 -0.684) 2.560 6.396 ( -6.158 -4.202 0.618) 7.481 6.559 ( 0.362 6.984 -7.150) 10.001 6.635 ( 7.876 5.639 -7.701) 12.375 6.954 ( -0.352 -0.901 4.131) 4.242 7.209 ( -10.163 -0.107 1.959) 10.350 7.551 ( 6.759 -13.924 -2.960) 15.758 7.831 ( -3.469 -4.736 4.161) 7.196 7.874 ( -8.993 -7.281 -0.602) 11.587 8.322 ( 1.398 2.504 10.581) 10.963 8.383 ( 0.639 -9.586 4.990) 10.826 8.622 ( -3.211 -1.280 9.421) 10.035 8.648 ( 3.299 2.351 15.049) 15.585 8.787 ( 3.436 5.884 13.198) 14.853 9.026 ( -5.354 -6.633 10.179) 13.276 9.219 ( 5.440 -14.309 23.117) 27.726 9.450 ( -6.400 6.596 6.395) 11.197 9.746 ( -5.925 2.583 8.703) 10.841 10.504 ( 4.079 -20.841 11.975) 24.380 11.117 ( 6.302 22.004 -1.674) 22.950 11.797 ( 12.100 17.089 -10.743) 23.534 12.889 ( -8.278 -11.754 1.683) 14.475 13.224 ( -3.203 -14.381 -0.451) 14.740 21.598 ( -2.820 0.480 5.318) 6.038 22.203 ( 1.336 6.999 2.933) 7.705 22.427 ( 3.399 6.343 -9.185) 11.669 22.557 ( -0.913 3.056 -8.020) 8.631 22.778 ( -0.523 -4.269 -0.604) 4.343 23.615 ( -3.860 8.877 -16.285) 18.945======================= Grid point 157 (59/126) =======================q-point: (-0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 186Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.407 ( 0.000 25.478 21.837) 33.555 2.610 ( 0.000 29.485 23.958) 37.991 3.068 ( 0.000 21.212 11.535) 24.145 4.151 ( 0.000 37.858 40.104) 55.151 4.480 ( 0.000 12.694 -6.424) 14.227 4.606 ( -0.000 -6.084 -3.492) 7.015 4.944 ( -0.000 -10.021 12.300) 15.865 5.134 ( 0.000 4.396 -7.576) 8.759 5.314 ( 0.000 15.929 -11.749) 19.793 5.334 ( -0.000 -14.216 13.406) 19.540 5.584 ( -0.000 -4.622 7.097) 8.469 5.754 ( 0.000 12.111 -10.691) 16.155 6.192 ( -0.000 -3.948 -11.425) 12.088 6.401 ( -0.000 -6.481 6.590) 9.243 6.443 ( -0.000 -9.594 10.543) 14.254 6.465 ( 0.000 8.746 -6.051) 10.635 6.596 ( 0.000 9.838 -6.332) 11.699 7.013 ( -0.000 -3.280 9.580) 10.126 7.100 ( -0.000 -0.003 1.672) 1.672 7.774 ( -0.000 -0.535 3.303) 3.346 7.853 ( -0.000 -4.110 4.363) 5.994 7.868 ( -0.000 -16.698 -6.764) 18.016 8.309 ( 0.000 3.373 8.456) 9.104 8.428 ( 0.000 0.088 8.661) 8.661 8.627 ( -0.000 -3.104 9.038) 9.556 8.708 ( -0.000 -1.421 12.529) 12.609 8.748 ( 0.000 0.743 12.964) 12.985 9.062 ( -0.000 -5.693 4.724) 7.398 9.302 ( 0.000 6.784 4.398) 8.085 9.465 ( -0.000 -17.066 25.015) 30.282 9.686 ( 0.000 0.697 6.385) 6.423 10.734 ( -0.000 -1.105 3.431) 3.604 10.916 ( 0.000 8.477 9.038) 12.391 11.644 ( 0.000 21.409 -11.154) 24.141 12.988 ( -0.000 -13.793 3.920) 14.339 13.393 ( -0.000 -15.677 0.566) 15.687 21.570 ( 0.000 0.240 5.463) 5.468 22.136 ( 0.000 5.618 2.422) 6.118 22.382 ( 0.000 8.212 -14.310) 16.499 22.471 ( 0.000 6.394 -7.291) 9.698 22.815 ( -0.000 -2.600 0.365) 2.625 23.459 ( 0.000 10.595 -12.694) 16.535======================= Grid point 162 (60/126) =======================q-point: ( 0.38 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.288 ( -8.078 0.000 19.389) 21.004 3.367 ( 16.015 -0.000 0.888) 16.040 3.771 ( 2.792 -0.000 4.476) 5.275 4.215 ( -5.185 0.000 17.179) 17.945 4.530 ( 21.548 -0.000 10.787) 24.097 4.708 ( 1.649 -0.000 6.067) 6.287 4.730 ( 4.677 -0.000 17.756) 18.362 5.405 ( -1.801 0.000 -1.084) 2.102 5.409 ( -12.664 0.000 11.340) 16.999 5.544 ( 2.006 -0.000 0.796) 2.158 5.661 ( 8.526 -0.000 -0.598) 8.547 5.992 ( 8.591 -0.000 1.997) 8.820 6.142 ( -0.540 0.000 -3.423) 3.465 6.373 ( 6.147 -0.000 -1.619) 6.357 6.550 ( 2.845 -0.000 -15.868) 16.121 6.611 ( 6.092 -0.000 3.904) 7.235 6.834 ( 1.604 -0.000 -4.373) 4.658 6.909 ( -4.358 0.000 -8.447) 9.505 7.187 ( -15.052 0.000 0.763) 15.071 7.237 ( -12.627 0.000 -3.206) 13.028 7.641 ( -1.883 0.000 -1.504) 2.410 7.682 ( 1.108 -0.000 5.524) 5.634 8.202 ( 6.059 -0.000 8.910) 10.775 8.410 ( -6.230 0.000 10.867) 12.526 8.602 ( 2.187 -0.000 23.933) 24.032 8.674 ( 2.432 -0.000 11.586) 11.838 8.809 ( -5.977 0.000 13.726) 14.971 8.819 ( -5.637 0.000 6.933) 8.935 9.310 ( 6.970 -0.000 12.341) 14.173 9.538 ( 5.728 -0.000 12.766) 13.992 9.830 ( -8.457 0.000 11.016) 13.888 10.121 ( -16.335 0.000 12.858) 20.788 11.458 ( 10.158 -0.000 -6.961) 12.314 11.773 ( 26.763 -0.000 -5.615) 27.346 12.861 ( -17.666 0.000 -2.503) 17.843 13.045 ( -9.152 0.000 -2.703) 9.542 21.655 ( -3.033 0.000 4.163) 5.151 22.433 ( 4.809 -0.000 12.127) 13.046 22.446 ( 9.195 -0.000 -9.613) 13.303 22.574 ( -4.887 0.000 -6.526) 8.153 22.621 ( -0.113 0.000 -3.872) 3.874 23.814 ( -0.562 0.000 -19.494) 19.502======================= Grid point 163 (61/126) =======================q-point: (-0.50 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( -10.991 6.109 19.413) 23.129 3.534 ( 7.805 4.754 -2.386) 9.445 3.642 ( -2.431 18.692 10.961) 21.804 4.271 ( 0.435 -14.071 14.565) 20.256 4.599 ( 18.936 17.667 17.144) 31.058 4.767 ( 6.711 -0.037 6.257) 9.176 4.988 ( 0.068 -6.059 12.150) 13.577 5.131 ( -16.202 6.539 11.818) 21.094 5.458 ( 5.319 -13.081 10.841) 17.803 5.627 ( 3.701 -1.624 -6.518) 7.670 5.722 ( -0.199 0.326 -8.790) 8.798 5.903 ( -5.220 22.730 13.500) 26.947 6.158 ( 5.823 1.311 -4.910) 7.729 6.400 ( 3.475 5.115 -4.515) 7.656 6.498 ( -7.335 6.776 -4.768) 11.066 6.684 ( 3.837 6.009 -7.900) 10.642 6.710 ( 4.647 1.914 -8.571) 9.936 6.965 ( -2.723 1.649 -1.582) 3.555 7.125 ( -12.462 -12.035 -2.559) 17.512 7.139 ( 1.408 -12.943 -7.673) 15.113 7.680 ( -0.045 -6.379 1.626) 6.583 7.721 ( -0.300 -3.443 5.169) 6.218 8.253 ( 2.187 2.065 10.502) 10.924 8.344 ( -2.066 -1.020 10.555) 10.804 8.630 ( -4.742 1.807 5.486) 7.473 8.693 ( 2.563 -5.984 23.420) 24.308 8.760 ( 2.756 -1.574 15.372) 15.697 8.835 ( -1.996 -6.027 14.499) 15.828 9.274 ( 5.614 16.204 14.926) 22.735 9.596 ( -3.597 3.962 5.742) 7.850 9.777 ( -4.991 -3.742 10.606) 12.305 9.987 ( -5.354 -16.238 12.573) 21.223 11.520 ( 6.018 9.282 -5.326) 12.278 12.080 ( 16.904 5.574 -10.839) 20.840 12.674 ( -10.503 -4.923 0.387) 11.606 12.952 ( -7.207 -6.344 -0.878) 9.642 21.610 ( -2.512 0.343 5.644) 6.187 22.387 ( -0.211 7.296 5.186) 8.954 22.532 ( 1.703 2.342 -7.520) 8.058 22.596 ( 4.573 -1.378 -4.431) 6.516 22.648 ( -0.425 -4.211 -2.545) 4.939 23.769 ( -2.298 3.348 -18.105) 18.555======================= Grid point 164 (62/126) =======================q-point: (-0.38 0.38 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 0.000 12.454 20.320) 23.833 3.309 ( 0.000 26.952 17.328) 32.042 3.508 ( 0.000 11.574 -0.243) 11.577 4.467 ( -0.000 -13.235 14.217) 19.424 4.654 ( 0.000 13.239 9.254) 16.152 4.794 ( 0.000 11.349 -5.594) 12.652 4.861 ( -0.000 -3.300 17.340) 17.651 5.021 ( -0.000 -7.800 18.132) 19.738 5.462 ( 0.000 30.293 21.462) 37.126 5.624 ( 0.000 7.431 -7.488) 10.550 5.648 ( 0.000 4.448 -14.285) 14.962 5.799 ( -0.000 -16.086 12.630) 20.451 6.193 ( 0.000 2.643 -12.034) 12.321 6.294 ( 0.000 8.054 -2.922) 8.568 6.391 ( 0.000 2.949 -1.106) 3.149 6.627 ( 0.000 4.251 -8.561) 9.558 6.772 ( 0.000 4.345 -13.034) 13.739 6.942 ( -0.000 -2.160 4.873) 5.330 7.075 ( -0.000 -3.546 -0.028) 3.547 7.406 ( -0.000 -20.022 -6.804) 21.147 7.728 ( -0.000 -3.581 6.732) 7.625 7.760 ( -0.000 -3.992 0.121) 3.994 8.287 ( -0.000 -5.588 10.092) 11.536 8.345 ( -0.000 -0.628 9.866) 9.886 8.581 ( -0.000 -0.243 6.960) 6.964 8.726 ( 0.000 3.675 21.154) 21.471 8.873 ( -0.000 -8.358 8.867) 12.185 8.875 ( -0.000 -2.316 14.822) 15.002 9.168 ( 0.000 3.292 23.985) 24.210 9.486 ( 0.000 6.904 2.568) 7.367 9.718 ( 0.000 1.364 8.572) 8.679 10.253 ( -0.000 -24.262 12.557) 27.319 11.407 ( 0.000 16.838 -3.934) 17.292 12.090 ( 0.000 13.520 -13.451) 19.071 12.685 ( -0.000 -9.738 2.137) 9.970 13.020 ( -0.000 -13.126 0.903) 13.157 21.583 ( 0.000 0.640 6.132) 6.165 22.295 ( 0.000 7.193 4.049) 8.254 22.515 ( 0.000 3.282 -8.719) 9.317 22.603 ( 0.000 4.037 -8.766) 9.651 22.714 ( -0.000 -5.696 1.038) 5.789 23.684 ( 0.000 6.939 -16.761) 18.141======================= Grid point 172 (63/126) =======================q-point: (-0.50 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.028 ( -0.000 -0.000 21.144) 21.144 3.619 ( -0.000 -0.000 -6.845) 6.845 3.791 ( -0.000 -0.000 7.734) 7.734 4.130 ( 0.000 0.000 18.399) 18.399 4.854 ( 0.000 0.001 22.458) 22.458 4.860 ( -0.000 -0.001 21.631) 21.631 4.942 ( 0.000 0.000 -5.573) 5.573 5.205 ( 0.000 0.028 10.717) 10.717 5.212 ( -0.000 -0.028 20.705) 20.705 5.696 ( -0.000 -0.000 -21.716) 21.716 5.703 ( -0.000 -0.000 -2.261) 2.261 6.015 ( -0.000 -0.000 6.372) 6.372 6.241 ( 0.000 0.000 0.400) 0.400 6.421 ( 0.000 0.000 -2.125) 2.125 6.547 ( 0.000 0.001 -3.556) 3.556 6.651 ( -0.000 -0.001 -0.406) 0.406 6.837 ( 0.000 0.000 -16.498) 16.498 6.948 ( 0.000 0.000 4.911) 4.911 6.949 ( -0.000 -0.000 -7.588) 7.588 7.033 ( -0.000 -0.001 -12.949) 12.949 7.639 ( -0.000 -0.000 2.171) 2.171 7.707 ( -0.000 -0.000 5.625) 5.625 8.298 ( 0.000 0.000 11.417) 11.417 8.321 ( -0.000 -0.001 9.689) 9.689 8.604 ( -0.000 -0.000 1.146) 1.146 8.656 ( -0.000 -0.000 25.965) 25.965 8.734 ( -0.000 -0.000 15.078) 15.078 8.823 ( -0.000 -0.000 20.941) 20.941 9.515 ( -0.000 -0.000 15.245) 15.245 9.583 ( -0.000 -0.002 1.668) 1.668 9.734 ( -0.000 -0.000 10.375) 10.375 9.739 ( 0.000 0.000 12.705) 12.705 11.621 ( -0.000 -0.000 -5.488) 5.488 12.259 ( -0.000 -0.000 -13.966) 13.966 12.561 ( -0.000 -0.000 1.338) 1.338 12.843 ( -0.000 -0.000 1.078) 1.078 21.592 ( -0.000 -0.000 6.349) 6.349 22.428 ( -0.000 -0.000 4.040) 4.040 22.575 ( 0.000 0.020 1.147) 1.147 22.577 ( -0.000 -0.021 -4.691) 4.691 22.654 ( -0.000 -0.000 -9.337) 9.337 23.771 ( -0.000 -0.001 -17.721) 17.721======================= Grid point 201 (64/126) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 0.000 0.000 35.773) 35.773 2.338 ( 0.000 0.000 34.597) 34.597 2.668 ( 0.000 0.000 18.005) 18.005 3.965 ( 0.000 0.000 -9.929) 9.929 4.153 ( 0.000 0.000 58.959) 58.959 4.417 ( 0.000 0.000 -15.910) 15.910 4.471 ( 0.000 0.000 -18.796) 18.796 4.822 ( 0.000 0.000 -9.105) 9.105 4.936 ( 0.000 0.000 -13.213) 13.213 5.661 ( 0.000 0.000 -1.194) 1.194 5.720 ( 0.000 0.000 0.163) 0.163 6.001 ( 0.000 0.000 12.017) 12.017 6.140 ( 0.000 0.000 0.911) 0.911 6.214 ( 0.000 0.000 3.285) 3.285 6.820 ( 0.000 0.000 10.822) 10.822 6.890 ( 0.000 0.000 9.326) 9.326 6.943 ( 0.000 0.000 10.148) 10.148 7.153 ( 0.000 0.000 -5.080) 5.080 7.369 ( 0.000 0.000 9.492) 9.492 7.512 ( 0.000 0.000 -15.873) 15.873 7.973 ( 0.000 0.000 -13.040) 13.040 8.101 ( 0.000 0.000 -10.579) 10.579 8.488 ( 0.000 0.000 14.698) 14.698 8.494 ( 0.000 0.000 15.522) 15.522 8.826 ( 0.000 0.000 8.228) 8.228 8.918 ( 0.000 0.000 15.115) 15.115 8.924 ( 0.000 0.000 5.815) 5.815 8.948 ( 0.000 0.000 2.786) 2.786 9.514 ( 0.000 0.000 9.493) 9.493 9.786 ( 0.000 0.000 3.361) 3.361 10.075 ( 0.000 0.000 7.218) 7.218 10.434 ( 0.000 0.000 18.695) 18.695 10.851 ( 0.000 0.000 2.541) 2.541 11.630 ( 0.000 0.000 12.290) 12.290 13.558 ( 0.000 0.000 7.496) 7.496 13.839 ( 0.000 0.000 0.266) 0.266 21.682 ( 0.000 0.000 5.449) 5.449 21.939 ( 0.000 0.000 1.001) 1.001 21.987 ( 0.000 0.000 -0.224) 0.224 22.145 ( 0.000 0.000 -5.338) 5.338 22.879 ( 0.000 0.000 -0.513) 0.513 23.007 ( 0.000 0.000 -3.716) 3.716======================= Grid point 202 (65/126) =======================q-point: ( 0.12 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 11.619 -5.592 32.396) 34.868 2.481 ( 10.863 -9.238 32.605) 35.587 2.819 ( 10.710 -9.769 17.778) 22.939 4.026 ( 5.430 -3.415 -8.120) 10.348 4.299 ( 10.042 -8.923 48.338) 50.170 4.461 ( 1.965 -3.940 -10.323) 11.223 4.565 ( 5.456 -6.133 -17.336) 19.181 4.781 ( 1.758 4.450 -6.873) 8.374 4.993 ( -1.918 -10.585 -11.467) 15.723 5.611 ( 1.078 6.524 2.004) 6.909 5.722 ( 1.456 1.463 -0.840) 2.228 6.022 ( -3.816 6.832 5.341) 9.475 6.081 ( 0.860 -4.312 4.288) 6.142 6.209 ( -6.180 -5.103 1.116) 8.092 6.728 ( -6.904 13.154 7.669) 16.718 6.805 ( -1.547 3.941 10.278) 11.116 6.929 ( 4.542 3.096 6.973) 8.879 7.145 ( -3.819 1.291 -0.476) 4.059 7.409 ( 5.262 1.785 10.328) 11.728 7.542 ( 4.210 -1.456 -15.114) 15.757 7.973 ( -9.765 1.993 -2.990) 10.406 8.036 ( -2.135 -8.048 -15.103) 17.246 8.425 ( 2.844 5.411 12.473) 13.891 8.630 ( 5.365 -4.317 13.158) 14.851 8.755 ( -3.749 4.309 8.015) 9.841 8.902 ( 0.161 0.872 7.166) 7.221 8.960 ( -0.078 -2.803 11.956) 12.281 9.031 ( 5.093 -6.171 4.038) 8.963 9.540 ( 4.372 1.933 10.570) 11.601 9.785 ( -0.426 -1.324 4.840) 5.036 10.149 ( 3.022 -7.202 5.922) 9.802 10.418 ( 1.160 4.837 20.691) 21.281 10.854 ( -4.233 -6.064 -0.544) 7.415 11.549 ( -6.266 5.312 12.074) 14.604 13.510 ( -1.694 5.192 6.663) 8.616 13.776 ( -4.373 4.632 -0.292) 6.377 21.697 ( 1.836 0.000 4.879) 5.214 21.956 ( -2.743 -1.586 -0.897) 3.293 21.992 ( 3.033 -3.874 0.806) 4.986 22.239 ( 8.376 -1.859 -4.322) 9.607 22.876 ( -0.179 0.222 0.091) 0.300 23.059 ( 3.643 -3.528 -4.804) 6.985======================= Grid point 203 (66/126) =======================q-point: ( 0.25 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( 14.134 -7.976 26.478) 31.056 2.818 ( 14.990 -11.470 27.814) 33.614 3.162 ( 14.524 -13.328 17.187) 26.153 4.190 ( 9.275 -3.723 -7.662) 12.593 4.401 ( -3.990 4.112 3.736) 6.841 4.552 ( -0.286 -1.473 -11.906) 12.000 4.796 ( 16.975 -15.314 32.740) 39.932 4.921 ( 7.095 -11.326 -7.563) 15.357 5.127 ( 0.803 -12.067 -10.011) 15.700 5.571 ( 3.695 6.846 4.287) 8.883 5.721 ( 1.708 3.329 0.210) 3.747 5.868 ( -1.524 4.191 2.168) 4.959 6.139 ( -2.608 -0.008 2.081) 3.337 6.151 ( -7.767 -5.129 -2.644) 9.676 6.452 ( -4.949 13.704 3.648) 15.020 6.721 ( -3.785 3.436 12.459) 13.467 6.930 ( 0.990 8.377 4.803) 9.707 7.057 ( -0.952 1.131 0.507) 1.563 7.415 ( 0.197 4.205 8.412) 9.407 7.666 ( 3.056 -2.954 -6.680) 7.917 7.803 ( -3.821 1.215 -7.948) 8.902 8.126 ( -1.660 -9.287 -7.004) 11.750 8.428 ( 2.684 1.160 11.739) 12.098 8.630 ( -5.093 5.214 5.957) 9.413 8.738 ( 5.315 -0.566 10.039) 11.373 8.910 ( 2.128 -0.148 8.204) 8.477 8.966 ( -1.517 -0.323 11.094) 11.202 9.223 ( 6.364 -8.628 2.957) 11.122 9.578 ( 4.003 2.254 14.041) 14.773 9.829 ( 1.192 -5.745 7.922) 9.858 10.265 ( 0.570 2.901 10.732) 11.132 10.367 ( 3.164 -0.017 16.241) 16.547 10.875 ( -5.916 -8.584 -4.674) 11.425 11.334 ( -10.055 8.513 11.196) 17.289 13.405 ( -1.606 6.814 4.215) 8.171 13.615 ( -6.934 6.949 -1.306) 9.903 21.728 ( 1.903 -0.243 3.636) 4.111 21.948 ( -1.550 -2.384 -1.719) 3.322 22.133 ( 7.319 -5.709 1.980) 9.491 22.385 ( 7.380 -1.696 -3.428) 8.312 22.865 ( -1.265 0.107 1.144) 1.709 23.185 ( 5.743 -4.789 -7.503) 10.593======================= Grid point 204 (67/126) =======================q-point: ( 0.38 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.912 ( 9.880 -5.527 21.295) 24.117 3.158 ( 12.357 -9.558 20.797) 26.011 3.511 ( 10.670 -10.545 17.746) 23.237 4.167 ( -8.338 8.738 11.568) 16.724 4.395 ( 8.761 -1.346 -8.467) 12.258 4.577 ( -1.962 -3.324 -9.186) 9.964 5.061 ( 2.820 -6.246 -12.418) 14.183 5.224 ( -5.604 -9.534 -1.932) 11.227 5.284 ( 14.647 -6.767 23.871) 28.812 5.551 ( 5.198 0.591 3.651) 6.379 5.783 ( 8.260 -3.081 3.857) 9.623 5.902 ( 5.343 0.567 -2.774) 6.047 5.991 ( -7.451 5.329 4.863) 10.372 6.112 ( -4.216 -2.019 -3.467) 5.819 6.282 ( -4.003 4.716 4.477) 7.636 6.616 ( -5.054 5.014 8.752) 11.282 6.812 ( 1.160 5.587 2.694) 6.311 7.057 ( -1.249 2.627 6.231) 6.876 7.346 ( -2.717 0.385 3.148) 4.176 7.581 ( -4.983 4.690 -5.772) 8.952 7.923 ( 5.843 -6.729 -7.682) 11.766 8.210 ( 0.754 -6.016 -0.726) 6.107 8.462 ( 1.506 -0.855 12.240) 12.361 8.482 ( -4.771 6.807 3.301) 8.944 8.803 ( 3.025 0.068 7.333) 7.933 8.932 ( -1.856 0.673 9.448) 9.652 9.003 ( 8.054 -3.079 10.256) 13.399 9.338 ( -2.892 -2.739 2.042) 4.476 9.610 ( 2.144 -0.325 17.970) 18.101 9.978 ( 4.782 -8.535 14.927) 17.847 10.123 ( 0.070 9.528 14.802) 17.603 10.492 ( 3.906 -4.447 5.517) 8.091 10.804 ( -10.784 3.596 0.316) 11.372 11.137 ( -5.071 0.804 4.673) 6.942 13.322 ( 0.280 4.405 1.145) 4.560 13.434 ( -6.337 5.293 -1.828) 8.456 21.754 ( 0.998 -0.306 2.799) 2.987 21.960 ( -0.476 -1.655 -1.658) 2.390 22.322 ( 8.110 -5.175 2.336) 9.900 22.478 ( 3.124 -0.082 -1.785) 3.599 22.832 ( -2.523 0.422 1.794) 3.124 23.318 ( 4.416 -3.394 -10.309) 11.718======================= Grid point 205 (68/126) =======================q-point: (-0.50 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 0.000 -0.000 19.010) 19.010 3.339 ( 0.000 -0.000 14.765) 14.765 3.668 ( -0.000 -0.000 18.745) 18.745 4.015 ( -0.000 -0.000 18.858) 18.858 4.487 ( -0.000 -0.000 -12.623) 12.623 4.568 ( 0.000 0.000 -2.947) 2.947 5.122 ( 0.000 -0.000 -15.113) 15.113 5.198 ( 0.000 -0.000 -0.306) 0.306 5.424 ( -0.000 -0.000 14.123) 14.123 5.671 ( -0.000 -0.000 0.347) 0.347 5.814 ( 0.000 -0.000 -0.695) 0.695 5.919 ( -0.000 -0.000 2.183) 2.183 5.977 ( 0.000 0.000 3.047) 3.047 6.090 ( 0.000 -0.000 -1.865) 1.865 6.246 ( 0.000 -0.000 22.689) 22.689 6.482 ( -0.000 -0.000 -0.809) 0.809 6.873 ( -0.000 0.000 -4.072) 4.072 6.940 ( -0.000 -0.000 17.905) 17.905 7.353 ( 0.000 0.000 -4.706) 4.706 7.493 ( 0.000 -0.000 -5.379) 5.379 8.020 ( -0.000 0.000 -5.710) 5.710 8.298 ( 0.000 0.000 10.950) 10.950 8.351 ( 0.000 -0.000 -7.721) 7.721 8.480 ( -0.000 -0.000 12.990) 12.990 8.827 ( 0.000 -0.000 6.427) 6.427 8.908 ( 0.000 -0.000 9.313) 9.313 9.195 ( 0.000 -0.000 7.412) 7.412 9.217 ( -0.000 0.000 6.444) 6.444 9.635 ( 0.000 0.000 21.401) 21.401 9.980 ( 0.000 -0.000 18.469) 18.469 10.218 ( 0.000 -0.000 9.138) 9.138 10.529 ( -0.000 0.000 2.148) 2.148 10.630 ( 0.000 -0.000 6.356) 6.356 11.115 ( 0.000 -0.000 0.179) 0.179 13.321 ( -0.000 0.000 0.485) 0.485 13.325 ( 0.000 -0.000 -2.691) 2.691 21.763 ( 0.000 -0.000 2.571) 2.571 21.967 ( 0.000 -0.000 -1.558) 1.558 22.459 ( -0.000 0.000 2.594) 2.594 22.468 ( 0.000 -0.000 -0.910) 0.910 22.803 ( -0.000 -0.000 1.730) 1.730 23.374 ( 0.000 -0.000 -11.444) 11.444======================= Grid point 211 (69/126) =======================q-point: ( 0.12 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 18.037 -0.000 28.724) 33.918 2.662 ( 20.560 -0.000 30.361) 36.667 2.986 ( 18.625 -0.000 16.274) 24.733 4.139 ( 11.980 -0.000 -8.349) 14.602 4.441 ( 12.743 -0.000 23.549) 26.776 4.559 ( 12.998 -0.000 12.540) 18.061 4.617 ( 6.231 -0.000 -18.903) 19.903 4.779 ( -7.328 0.000 -3.247) 8.016 4.930 ( 6.685 -0.000 -5.207) 8.474 5.650 ( 0.280 -0.000 -2.233) 2.251 5.766 ( 3.312 -0.000 -1.452) 3.616 5.994 ( -7.567 0.000 0.663) 7.595 6.042 ( -9.222 0.000 4.783) 10.389 6.102 ( 4.660 -0.000 5.104) 6.911 6.705 ( -10.573 0.000 9.217) 14.027 6.733 ( -5.567 0.000 8.387) 10.066 7.019 ( 4.748 -0.000 4.765) 6.727 7.118 ( -4.074 0.000 -3.453) 5.341 7.522 ( 7.181 -0.000 11.646) 13.682 7.605 ( 5.514 -0.000 -12.624) 13.776 7.834 ( -9.161 0.000 2.615) 9.527 7.926 ( -5.058 0.000 -18.386) 19.069 8.383 ( -8.129 0.000 10.967) 13.651 8.734 ( 9.051 -0.000 11.244) 14.434 8.805 ( 1.428 -0.000 11.089) 11.180 8.864 ( -1.957 0.000 10.715) 10.892 8.981 ( 1.871 -0.000 8.599) 8.800 9.038 ( 3.750 -0.000 4.261) 5.676 9.632 ( 4.992 -0.000 12.456) 13.419 9.716 ( -5.404 0.000 7.904) 9.575 10.239 ( 12.825 -0.000 4.186) 13.491 10.466 ( 0.205 -0.000 19.626) 19.627 10.759 ( -2.385 0.000 -2.791) 3.671 11.450 ( -11.138 0.000 11.782) 16.213 13.491 ( -4.688 0.000 5.020) 6.868 13.702 ( -9.135 0.000 -1.580) 9.271 21.725 ( 1.687 -0.000 2.896) 3.351 21.927 ( 0.167 -0.000 -3.427) 3.431 22.051 ( 8.088 -0.000 5.376) 9.712 22.363 ( 8.897 -0.000 -3.189) 9.451 22.866 ( -1.493 0.000 -0.309) 1.525 23.121 ( 7.323 -0.000 -6.567) 9.836======================= Grid point 212 (70/126) =======================q-point: ( 0.25 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 17.517 -2.099 22.737) 28.779 3.020 ( 23.473 -1.442 26.009) 35.064 3.307 ( 19.081 -4.151 14.975) 24.608 4.343 ( 12.877 -0.019 -7.338) 14.821 4.454 ( -2.924 10.803 4.753) 12.159 4.600 ( 3.143 3.717 -13.323) 14.184 4.836 ( 1.522 -11.249 2.261) 11.575 4.883 ( 12.920 -10.506 12.541) 20.847 5.129 ( 16.792 -5.369 8.919) 19.757 5.656 ( 1.054 1.768 0.401) 2.097 5.793 ( 2.226 4.167 -0.593) 4.762 5.895 ( 2.333 -0.095 -2.187) 3.199 5.953 ( -8.481 -3.772 1.290) 9.371 6.152 ( 0.897 0.764 2.355) 2.634 6.479 ( -9.815 7.649 8.631) 15.144 6.666 ( -4.520 -0.542 5.405) 7.067 6.991 ( -6.015 6.590 -2.866) 9.371 7.072 ( 0.992 -0.622 4.167) 4.328 7.505 ( -0.771 12.125 8.914) 15.068 7.661 ( -2.191 2.331 -3.609) 4.822 7.764 ( 1.729 -4.717 -6.353) 8.099 7.949 ( -3.638 -14.136 -6.630) 16.032 8.290 ( -8.980 -6.885 7.494) 13.572 8.743 ( 1.487 9.083 11.434) 14.679 8.832 ( 4.954 1.813 9.788) 11.119 8.884 ( -1.121 -3.649 9.657) 10.384 8.968 ( 0.844 1.488 8.850) 9.014 9.171 ( 1.447 -9.353 4.045) 10.292 9.612 ( -2.129 2.075 13.008) 13.344 9.742 ( 0.470 -7.873 12.488) 14.770 10.381 ( -1.544 7.596 16.922) 18.613 10.472 ( 13.718 0.621 7.257) 15.532 10.799 ( 4.763 -1.432 -6.015) 7.805 11.242 ( -11.947 3.869 10.658) 16.471 13.394 ( -6.256 1.456 2.473) 6.883 13.524 ( -12.283 1.942 -2.470) 12.679 21.745 ( 0.882 -0.228 1.981) 2.180 21.952 ( 3.163 0.405 -3.976) 5.096 22.215 ( 10.725 -2.832 6.692) 12.955 22.477 ( 5.806 -0.003 -1.979) 6.133 22.830 ( -3.452 -0.237 0.584) 3.509 23.254 ( 8.432 -1.478 -9.554) 12.828======================= Grid point 213 (71/126) =======================q-point: ( 0.38 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.095 ( 13.698 0.832 16.742) 21.648 3.319 ( 16.334 3.271 19.044) 25.302 3.606 ( 13.565 -3.545 17.066) 22.086 4.207 ( -4.093 12.956 14.739) 20.046 4.520 ( 2.408 2.423 -10.473) 11.016 4.603 ( 7.711 2.564 -5.991) 10.096 4.963 ( -1.713 -10.568 -0.578) 10.722 5.098 ( 3.356 -5.314 -3.616) 7.251 5.486 ( 17.257 -3.469 12.590) 21.641 5.640 ( 4.369 3.543 5.452) 7.834 5.844 ( -0.420 -2.151 3.258) 3.927 5.877 ( -2.366 -0.996 0.167) 2.573 5.983 ( 4.919 -0.186 -5.731) 7.555 6.116 ( 2.177 2.121 0.907) 3.172 6.281 ( -5.370 5.568 14.109) 16.091 6.604 ( -4.168 3.702 -1.190) 5.700 6.865 ( 0.510 1.167 -1.852) 2.248 7.026 ( -7.688 3.960 12.706) 15.370 7.320 ( -4.819 3.593 0.119) 6.012 7.553 ( -4.701 3.860 -5.164) 7.979 7.900 ( 2.770 -7.329 -4.639) 9.105 8.083 ( -2.957 -13.519 4.350) 14.506 8.282 ( -5.141 -8.419 1.660) 10.003 8.642 ( 0.545 9.703 10.266) 14.137 8.841 ( 0.065 1.658 6.927) 7.123 8.906 ( 0.377 -0.900 9.257) 9.308 9.042 ( 5.151 -6.622 11.147) 13.951 9.197 ( -9.243 -3.807 4.048) 10.785 9.572 ( -3.082 -1.625 16.848) 17.204 9.916 ( 4.705 -12.563 14.305) 19.611 10.212 ( -4.079 8.626 14.496) 17.355 10.626 ( 5.310 4.997 6.204) 9.574 10.807 ( 3.170 9.461 0.770) 10.008 11.136 ( 5.048 0.842 2.150) 5.551 13.299 ( -5.456 -1.173 0.163) 5.583 13.324 ( -12.149 -0.275 -2.272) 12.363 21.757 ( 0.174 -0.327 2.356) 2.385 21.999 ( 4.797 2.010 -3.459) 6.246 22.399 ( 8.253 -2.364 4.803) 9.837 22.520 ( 0.883 1.859 -0.596) 2.143 22.782 ( -3.292 -1.384 1.965) 4.076 23.374 ( 5.539 -0.022 -11.531) 12.792======================= Grid point 214 (72/126) =======================q-point: (-0.50 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.166 ( 5.905 12.342 15.665) 20.799 3.377 ( -0.783 7.668 14.819) 16.704 3.721 ( 1.179 5.792 18.777) 19.685 4.101 ( 8.041 5.439 18.923) 21.268 4.442 ( -3.666 2.536 -8.245) 9.372 4.709 ( 8.805 5.224 -6.524) 12.140 5.056 ( -1.191 -9.125 2.027) 9.423 5.159 ( 2.316 1.186 -6.263) 6.782 5.622 ( 6.895 10.805 -0.545) 12.829 5.655 ( -4.527 3.979 4.735) 7.665 5.782 ( -1.882 -5.212 1.845) 5.841 5.858 ( -2.061 1.144 0.498) 2.409 5.986 ( -2.755 5.536 5.909) 8.553 6.149 ( 3.246 2.660 3.956) 5.767 6.312 ( 7.798 -0.324 12.587) 14.810 6.482 ( -0.387 -0.468 -0.566) 0.830 6.772 ( -11.461 3.349 6.389) 13.542 6.976 ( 4.017 -3.377 5.388) 7.521 7.341 ( 1.826 -7.307 -4.373) 8.709 7.453 ( -3.836 0.441 -4.056) 5.600 7.967 ( -3.712 -3.543 -4.111) 6.576 8.166 ( -5.504 -10.761 11.048) 16.375 8.333 ( 0.911 -3.434 -5.611) 6.641 8.542 ( -0.304 5.158 9.850) 11.123 8.821 ( -0.313 1.146 8.023) 8.110 8.919 ( 1.397 0.636 9.638) 9.759 9.042 ( -11.854 -0.113 6.901) 13.717 9.242 ( 5.008 -9.645 6.026) 12.427 9.561 ( -3.197 -4.242 21.444) 22.092 9.957 ( -5.005 1.938 18.761) 19.513 10.187 ( -3.849 -0.100 8.482) 9.315 10.525 ( 0.032 -2.489 4.031) 4.738 10.835 ( 13.534 11.472 5.139) 18.471 11.243 ( 11.643 6.314 -2.304) 13.444 13.195 ( -9.297 -5.402 -0.219) 10.755 13.284 ( -2.356 -6.366 -1.227) 6.898 21.756 ( -0.704 -0.049 3.425) 3.497 22.037 ( 5.303 4.195 -2.699) 7.280 22.446 ( -4.886 4.762 0.748) 6.864 22.482 ( 1.013 0.332 -0.089) 1.069 22.796 ( 1.379 -2.679 3.777) 4.832 23.402 ( 0.603 3.146 -11.409) 11.850======================= Grid point 215 (73/126) =======================q-point: (-0.38 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( -2.630 19.487 19.814) 27.915 3.152 ( -7.762 14.578 21.569) 27.166 3.525 ( -8.863 13.950 17.013) 23.718 4.255 ( 11.321 -0.238 8.575) 14.205 4.357 ( -0.686 5.155 -5.146) 7.315 4.721 ( 5.541 9.699 -10.302) 15.195 5.109 ( -0.972 3.677 -11.891) 12.484 5.149 ( -4.209 1.149 19.308) 19.795 5.452 ( -8.661 6.695 7.553) 13.300 5.482 ( -1.064 16.168 -3.633) 16.605 5.705 ( -6.321 3.619 10.541) 12.813 5.811 ( -5.997 -0.547 3.536) 6.983 5.975 ( 4.027 -8.544 -0.014) 9.445 6.247 ( 9.305 0.993 -3.812) 10.105 6.313 ( 2.440 2.122 -4.068) 5.197 6.624 ( 1.844 -3.813 12.763) 13.447 6.700 ( -0.650 -9.684 8.241) 12.732 7.024 ( -0.235 -1.989 0.858) 2.179 7.372 ( -0.862 0.682 5.348) 5.459 7.557 ( 4.574 -11.298 -6.061) 13.612 7.866 ( -9.829 2.489 -8.428) 13.185 8.205 ( -2.874 -6.130 9.454) 11.629 8.336 ( -1.777 1.336 -0.723) 2.338 8.556 ( 1.898 -3.851 3.999) 5.868 8.800 ( 2.118 3.921 10.547) 11.450 8.894 ( -6.591 -1.393 9.208) 11.409 8.953 ( 1.762 -0.189 9.592) 9.755 9.327 ( -4.733 -2.443 1.109) 5.441 9.546 ( -3.535 0.420 16.986) 17.355 9.951 ( -4.249 -2.451 19.270) 19.885 10.004 ( -5.079 -2.834 12.877) 14.130 10.629 ( 6.111 7.895 0.964) 10.030 10.954 ( 12.382 -2.793 8.060) 15.035 11.292 ( 9.235 10.601 -2.217) 14.233 13.185 ( -5.245 -10.430 2.725) 11.988 13.386 ( 1.125 -11.126 -0.967) 11.225 21.736 ( -1.696 0.382 4.802) 5.107 22.053 ( 5.161 5.877 -1.963) 8.064 22.289 ( -5.888 6.559 -0.149) 8.815 22.439 ( -4.004 2.523 -3.304) 5.772 22.850 ( 1.674 -1.446 3.977) 4.551 23.324 ( -2.878 6.000 -9.356) 11.482======================= Grid point 216 (74/126) =======================q-point: (-0.25 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( -6.404 19.353 25.759) 32.849 2.850 ( -4.995 19.132 27.760) 34.082 3.188 ( -8.381 17.645 16.928) 25.848 4.189 ( -1.996 9.903 -7.929) 12.843 4.479 ( 9.214 -0.865 3.474) 9.885 4.653 ( 2.040 10.696 -11.863) 16.103 4.816 ( -9.395 21.911 36.432) 43.539 4.950 ( -7.602 13.079 -13.849) 20.510 5.290 ( 0.269 12.217 -9.769) 15.645 5.395 ( -5.208 -8.040 6.397) 11.519 5.652 ( -1.800 -3.458 4.046) 5.618 5.821 ( 1.037 -7.042 4.773) 8.570 6.146 ( 2.665 -7.451 -2.648) 8.345 6.334 ( 4.045 2.423 -3.467) 5.853 6.360 ( 4.773 -3.087 -0.096) 5.686 6.673 ( -1.657 -6.312 12.104) 13.751 6.811 ( -1.612 -7.362 9.867) 12.416 7.095 ( 7.253 -2.447 4.159) 8.711 7.348 ( -4.753 -2.488 9.052) 10.522 7.631 ( -6.871 4.350 -10.595) 13.356 7.818 ( 5.968 -9.556 -9.336) 14.632 8.225 ( -1.796 -2.287 8.373) 8.864 8.284 ( -2.823 0.907 -0.573) 3.020 8.598 ( -2.319 -2.517 5.068) 6.115 8.823 ( 6.751 3.808 9.193) 12.024 8.856 ( -1.483 -2.088 8.027) 8.425 8.989 ( 1.881 -0.326 11.729) 11.883 9.191 ( -9.067 4.868 2.074) 10.498 9.487 ( -3.488 -1.068 12.560) 13.079 9.818 ( -4.249 2.005 5.249) 7.045 10.171 ( 1.188 -13.741 25.261) 28.781 10.509 ( 2.617 18.845 3.937) 19.429 11.112 ( 7.100 9.351 -2.882) 12.090 11.341 ( 5.156 -6.259 8.930) 12.063 13.281 ( -1.530 -12.683 5.685) 13.983 13.562 ( 2.232 -12.372 -0.258) 12.574 21.702 ( -1.773 0.511 5.964) 6.243 22.052 ( 4.752 6.002 -1.007) 7.721 22.134 ( -3.269 7.143 -1.475) 7.993 22.317 ( -6.178 4.159 -5.208) 9.087 22.874 ( 0.363 -0.146 2.945) 2.971 23.196 ( -2.736 6.990 -6.594) 9.991======================= Grid point 217 (75/126) =======================q-point: (-0.12 0.12 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( 0.000 14.848 30.899) 34.281 2.570 ( 0.000 17.703 31.475) 36.112 2.906 ( 0.000 16.580 17.958) 24.442 4.059 ( 0.000 7.794 -9.736) 12.471 4.391 ( 0.000 17.940 47.891) 51.140 4.588 ( 0.000 13.370 -9.769) 16.558 4.592 ( 0.000 3.714 -15.633) 16.068 4.724 ( 0.000 2.990 -7.316) 7.904 5.148 ( 0.000 12.220 -14.403) 18.889 5.480 ( -0.000 -11.221 8.619) 14.148 5.683 ( -0.000 -3.148 -0.031) 3.148 5.951 ( -0.000 -9.780 5.125) 11.042 6.152 ( 0.000 6.237 1.373) 6.386 6.323 ( 0.000 5.455 -1.843) 5.758 6.560 ( -0.000 -20.582 3.088) 20.813 6.734 ( -0.000 -5.919 10.585) 12.127 6.857 ( -0.000 -3.658 9.932) 10.584 7.210 ( 0.000 1.239 7.330) 7.434 7.312 ( -0.000 -4.518 8.795) 9.888 7.527 ( 0.000 2.576 -16.932) 17.127 8.003 ( -0.000 -7.989 -10.001) 12.801 8.168 ( 0.000 9.507 -5.063) 10.772 8.286 ( -0.000 -7.164 11.150) 13.253 8.598 ( -0.000 -1.908 10.494) 10.666 8.841 ( 0.000 6.502 8.992) 11.097 8.867 ( -0.000 -2.758 6.835) 7.370 8.999 ( 0.000 1.678 13.567) 13.671 9.041 ( 0.000 4.701 0.960) 4.798 9.480 ( -0.000 -2.190 10.410) 10.638 9.780 ( -0.000 -0.099 3.613) 3.614 10.290 ( 0.000 12.618 6.944) 14.403 10.329 ( -0.000 -5.031 23.385) 23.921 11.005 ( 0.000 12.444 -3.289) 12.871 11.502 ( -0.000 -9.820 11.957) 15.472 13.420 ( -0.000 -10.673 7.084) 12.810 13.720 ( -0.000 -9.573 0.188) 9.575 21.682 ( 0.000 0.206 6.084) 6.088 22.023 ( 0.000 6.383 -1.185) 6.492 22.039 ( 0.000 4.102 0.183) 4.106 22.201 ( 0.000 4.139 -6.135) 7.400 22.875 ( 0.000 0.044 1.520) 1.520 23.093 ( 0.000 6.078 -4.910) 7.814======================= Grid point 220 (76/126) =======================q-point: ( 0.25 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.070 ( 15.285 -0.000 17.461) 23.206 3.395 ( 24.277 -0.000 22.592) 33.163 3.580 ( 18.184 -0.000 10.826) 21.163 4.484 ( -4.010 0.000 8.025) 8.971 4.518 ( 7.031 -0.000 -4.533) 8.366 4.670 ( 8.131 -0.000 1.667) 8.300 4.792 ( -1.977 0.000 -10.185) 10.375 4.954 ( 9.392 -0.000 4.900) 10.593 5.417 ( 20.413 -0.000 16.312) 26.130 5.666 ( 1.365 -0.000 3.954) 4.183 5.814 ( -2.803 0.000 5.035) 5.763 5.932 ( 7.137 -0.000 -6.394) 9.583 5.952 ( 7.708 -0.000 -6.814) 10.288 6.147 ( -2.944 0.000 3.676) 4.710 6.356 ( -10.654 0.000 12.997) 16.806 6.623 ( -0.245 0.000 -1.929) 1.945 6.924 ( -7.945 0.000 -5.026) 9.401 7.039 ( -4.737 0.000 4.754) 6.711 7.633 ( -6.844 0.000 8.249) 10.719 7.676 ( -0.859 0.000 12.354) 12.384 7.678 ( -9.313 0.000 -14.202) 16.984 7.730 ( 1.023 -0.000 -1.141) 1.533 8.140 ( -2.303 0.000 1.826) 2.939 8.771 ( -4.930 0.000 8.031) 9.423 8.850 ( 0.997 -0.000 11.472) 11.515 8.915 ( 3.691 -0.000 14.148) 14.622 9.011 ( -0.579 0.000 2.222) 2.296 9.080 ( -2.175 0.000 6.313) 6.677 9.641 ( 2.536 -0.000 10.283) 10.591 9.644 ( -3.367 0.000 17.594) 17.913 10.347 ( -7.058 0.000 17.392) 18.770 10.696 ( 6.981 -0.000 5.463) 8.865 10.947 ( 13.562 -0.000 -4.958) 14.440 11.136 ( 0.249 -0.000 6.940) 6.944 13.281 ( -9.011 0.000 0.507) 9.026 13.319 ( -15.878 0.000 -2.512) 16.076 21.753 ( 0.376 -0.000 2.140) 2.172 22.030 ( 6.411 -0.000 -6.138) 8.875 22.366 ( 10.901 -0.000 8.422) 13.776 22.545 ( 3.063 -0.000 -0.987) 3.218 22.760 ( -5.412 0.000 2.279) 5.872 23.374 ( 7.798 -0.000 -11.622) 13.996======================= Grid point 221 (77/126) =======================q-point: ( 0.38 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.280 ( 11.684 -0.268 11.582) 16.454 3.611 ( 6.930 7.156 13.705) 16.943 3.800 ( 12.857 1.597 15.974) 20.567 4.402 ( 8.992 15.306 16.142) 23.994 4.522 ( -3.913 2.728 -0.660) 4.816 4.738 ( 1.166 -0.721 -4.463) 4.669 4.896 ( 10.847 -5.427 2.991) 12.492 5.124 ( 7.244 -4.466 -2.086) 8.762 5.559 ( -0.078 -4.690 -0.713) 4.744 5.761 ( -3.376 1.829 7.647) 8.557 5.819 ( 10.007 -0.436 11.865) 15.528 5.945 ( 0.384 9.987 -2.602) 10.328 6.076 ( 7.428 1.695 -9.723) 12.353 6.167 ( 4.838 -5.070 -1.150) 7.102 6.264 ( 1.243 -0.287 17.795) 17.840 6.595 ( -3.899 6.495 -5.965) 9.642 6.853 ( 0.740 -5.583 -3.968) 6.889 6.936 ( -8.979 1.570 8.489) 12.456 7.282 ( -13.019 12.443 1.322) 18.057 7.543 ( -5.750 4.390 -2.407) 7.624 7.789 ( -6.959 -16.401 9.062) 19.989 7.817 ( -0.285 -10.009 2.250) 10.263 8.209 ( 5.767 -3.401 -0.209) 6.698 8.664 ( -7.106 2.190 5.185) 9.065 8.848 ( -0.793 0.965 7.513) 7.616 8.967 ( 3.563 1.908 9.590) 10.407 9.015 ( 1.473 -5.944 9.405) 11.223 9.038 ( -5.282 0.375 8.239) 9.794 9.541 ( -2.016 4.570 17.380) 18.084 9.823 ( 4.503 -13.269 12.743) 18.940 10.196 ( -8.509 3.845 13.034) 16.033 10.583 ( -13.983 3.067 9.464) 17.161 11.111 ( 15.709 8.165 -1.117) 17.739 11.336 ( 19.532 0.713 -1.793) 19.627 13.091 ( -15.619 -2.489 -1.076) 15.853 13.161 ( -8.671 -3.005 -0.985) 9.230 21.755 ( -0.118 0.010 3.459) 3.461 22.126 ( 8.017 2.309 -6.311) 10.461 22.494 ( 4.945 0.470 3.693) 6.189 22.548 ( -1.131 3.355 0.099) 3.542 22.711 ( -1.554 -3.482 6.396) 7.446 23.457 ( 3.820 1.226 -12.291) 12.929======================= Grid point 222 (78/126) =======================q-point: (-0.50 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.362 ( 2.091 7.623 10.000) 12.747 3.505 ( -0.783 11.674 13.916) 18.181 3.801 ( -3.554 10.453 17.806) 20.951 4.416 ( 17.617 14.740 17.142) 28.662 4.480 ( 4.374 3.015 -0.801) 5.373 4.788 ( -0.595 -5.795 -1.232) 5.954 5.065 ( 8.657 3.769 -1.404) 9.545 5.240 ( 5.146 0.848 -0.813) 5.279 5.577 ( -9.406 4.166 6.961) 12.421 5.650 ( -3.715 -6.858 2.345) 8.144 5.840 ( 2.735 10.457 -9.257) 14.231 5.893 ( 2.047 -0.558 3.320) 3.940 6.087 ( -0.677 14.080 11.940) 18.474 6.245 ( 8.552 -0.191 2.020) 8.790 6.397 ( -3.109 3.366 -3.922) 6.031 6.455 ( 5.999 -5.816 7.808) 11.437 6.676 ( -11.090 9.209 5.915) 15.582 6.982 ( 1.104 -1.066 1.034) 1.850 7.178 ( -1.165 -17.073 -8.019) 18.899 7.417 ( -6.330 1.566 3.963) 7.631 7.824 ( -6.748 -5.982 -1.034) 9.077 7.955 ( -1.498 -12.665 9.243) 15.751 8.328 ( 4.493 -2.674 0.152) 5.231 8.534 ( -5.487 1.945 3.855) 6.983 8.816 ( -4.777 -1.825 5.209) 7.299 8.943 ( -0.405 2.632 8.896) 9.286 8.994 ( 4.377 4.889 11.609) 13.335 9.161 ( 1.282 -8.824 7.507) 11.656 9.503 ( 0.883 -1.460 20.832) 20.902 9.880 ( -8.037 1.754 16.480) 18.418 10.103 ( -7.393 0.026 8.388) 11.181 10.428 ( -2.517 -10.543 6.900) 12.849 11.195 ( 12.258 12.884 1.958) 17.891 11.562 ( 16.718 8.369 -5.868) 19.595 12.948 ( -11.580 -7.908 1.463) 14.099 13.124 ( -5.469 -8.979 -1.043) 10.565 21.746 ( -0.857 0.407 5.329) 5.413 22.200 ( 7.954 5.313 -4.949) 10.769 22.434 ( -4.709 5.087 -0.108) 6.933 22.504 ( -0.742 2.887 -0.963) 3.132 22.782 ( 2.416 -4.090 7.714) 9.059 23.450 ( -0.411 3.886 -11.302) 11.958======================= Grid point 223 (79/126) =======================q-point: (-0.38 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( -6.289 16.552 18.128) 25.340 3.352 ( 3.791 20.135 18.519) 27.618 3.561 ( -7.676 12.017 14.217) 20.136 4.467 ( 5.914 11.340 -2.565) 13.044 4.534 ( 13.242 9.268 7.869) 17.977 4.851 ( -0.051 -3.772 -2.943) 4.784 5.080 ( 1.836 2.950 1.407) 3.749 5.248 ( 1.447 7.432 5.995) 9.658 5.353 ( -10.273 7.542 0.819) 12.771 5.660 ( -1.643 -1.039 4.187) 4.616 5.717 ( -0.357 12.755 -8.151) 15.141 5.766 ( -6.856 17.304 26.638) 32.497 5.946 ( 1.385 -1.752 -6.638) 7.004 6.363 ( 3.331 -0.102 -2.833) 4.374 6.407 ( 9.297 -0.504 -5.418) 10.772 6.517 ( -6.104 -5.243 5.736) 9.882 6.610 ( -0.126 -6.495 9.497) 11.506 7.021 ( 3.690 -3.540 2.292) 5.604 7.309 ( -6.958 -1.286 8.023) 10.697 7.455 ( 5.421 -17.092 -5.795) 18.845 7.734 ( -8.118 0.962 -7.948) 11.402 8.038 ( -4.716 -8.459 10.349) 14.174 8.392 ( 2.671 2.101 -1.336) 3.651 8.505 ( 0.284 -3.783 4.828) 6.140 8.768 ( -4.627 -3.569 6.047) 8.409 8.948 ( 5.537 6.799 13.038) 15.712 8.998 ( 3.419 0.665 7.783) 8.527 9.195 ( -5.922 -2.905 5.916) 8.860 9.541 ( -0.474 3.068 12.998) 13.364 9.816 ( -2.116 -10.435 24.895) 27.076 9.913 ( -8.186 3.889 7.567) 11.807 10.665 ( 4.174 -15.140 3.547) 16.101 11.164 ( 6.486 13.390 6.155) 16.101 11.606 ( 8.578 15.168 -7.824) 19.102 12.950 ( -5.481 -13.086 4.310) 14.828 13.220 ( -1.448 -14.373 -0.305) 14.449 21.721 ( -1.167 0.957 6.921) 7.083 22.225 ( 5.637 7.548 -1.531) 9.544 22.308 ( -1.992 6.522 -2.092) 7.133 22.424 ( -3.800 4.378 -4.933) 7.612 22.848 ( 1.067 -2.255 6.366) 6.837 23.366 ( -1.802 6.276 -9.099) 11.199======================= Grid point 224 (80/126) =======================q-point: (-0.25 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( 0.000 20.527 23.101) 30.904 3.105 ( 0.000 24.239 25.561) 35.226 3.327 ( 0.000 15.437 13.724) 20.656 4.336 ( 0.000 14.229 -7.479) 16.075 4.576 ( 0.000 2.474 -0.180) 2.481 4.813 ( 0.000 10.451 -0.925) 10.492 5.043 ( 0.000 19.486 23.515) 30.539 5.062 ( 0.000 17.546 -12.470) 21.526 5.194 ( -0.000 -8.889 12.739) 15.534 5.503 ( 0.000 16.761 -13.513) 21.530 5.607 ( 0.000 0.599 14.306) 14.319 5.733 ( -0.000 -7.458 6.264) 9.739 6.030 ( -0.000 -10.489 -6.092) 12.130 6.365 ( 0.000 3.374 -4.545) 5.660 6.474 ( 0.000 4.349 -5.937) 7.359 6.564 ( -0.000 -7.930 9.373) 12.278 6.691 ( -0.000 -9.702 12.297) 15.663 7.166 ( -0.000 -6.924 5.886) 9.087 7.225 ( 0.000 0.352 11.825) 11.831 7.623 ( 0.000 4.238 -12.930) 13.607 7.715 ( -0.000 -15.428 -8.420) 17.576 8.083 ( -0.000 -7.911 12.085) 14.444 8.363 ( 0.000 5.763 -2.256) 6.189 8.556 ( -0.000 -2.764 4.341) 5.146 8.782 ( -0.000 -4.171 6.742) 7.928 8.933 ( 0.000 2.086 12.963) 13.130 9.067 ( 0.000 4.787 13.176) 14.019 9.099 ( -0.000 -1.516 -0.636) 1.644 9.474 ( 0.000 3.174 11.381) 11.815 9.806 ( 0.000 2.449 5.081) 5.641 9.998 ( -0.000 -15.682 27.332) 31.511 10.743 ( 0.000 10.758 0.253) 10.761 11.153 ( -0.000 -5.443 10.282) 11.634 11.466 ( 0.000 16.276 -5.760) 17.265 13.089 ( -0.000 -15.179 5.999) 16.322 13.401 ( -0.000 -15.561 0.039) 15.561 21.698 ( 0.000 1.036 7.225) 7.299 22.174 ( 0.000 6.746 1.319) 6.874 22.217 ( 0.000 8.677 -3.341) 9.298 22.319 ( 0.000 5.025 -7.718) 9.210 22.872 ( -0.000 -0.710 4.731) 4.784 23.265 ( 0.000 7.368 -7.088) 10.224======================= Grid point 229 (81/126) =======================q-point: ( 0.38 0.38 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.436 ( 8.829 -0.000 6.463) 10.942 3.626 ( -7.865 0.000 13.078) 15.261 3.970 ( 6.077 -0.000 14.933) 16.122 4.492 ( -2.869 0.000 9.215) 9.651 4.669 ( 5.949 -0.000 -1.302) 6.090 4.831 ( 18.017 -0.000 13.307) 22.398 5.044 ( 12.212 -0.000 10.274) 15.959 5.206 ( 7.752 -0.000 -5.821) 9.694 5.496 ( -2.242 0.000 -5.036) 5.512 5.698 ( -8.690 0.000 14.448) 16.860 5.835 ( -3.902 0.000 10.767) 11.452 6.026 ( -1.858 0.000 -6.955) 7.199 6.202 ( 6.582 -0.000 1.740) 6.808 6.224 ( 9.339 -0.000 -11.922) 15.144 6.357 ( 9.319 -0.000 8.247) 12.445 6.664 ( -1.594 0.000 -2.684) 3.121 6.723 ( -3.102 0.000 -7.199) 7.838 6.857 ( -2.388 0.000 2.959) 3.802 7.196 ( -15.396 0.000 -0.311) 15.399 7.321 ( -16.289 0.000 13.959) 21.452 7.687 ( 3.933 -0.000 6.063) 7.227 7.758 ( 0.612 -0.000 1.453) 1.576 8.311 ( 8.187 -0.000 2.029) 8.435 8.552 ( -7.892 0.000 2.529) 8.287 8.795 ( -6.325 0.000 3.503) 7.230 8.956 ( -1.993 0.000 2.469) 3.173 9.027 ( 4.439 -0.000 18.216) 18.749 9.073 ( 5.071 -0.000 14.423) 15.289 9.605 ( 1.419 -0.000 15.757) 15.821 9.782 ( 5.242 -0.000 10.834) 12.036 10.061 ( -11.592 0.000 11.358) 16.229 10.359 ( -17.023 0.000 10.056) 19.772 11.370 ( 12.092 -0.000 -1.215) 12.153 11.659 ( 20.377 -0.000 -5.440) 21.091 12.845 ( -14.099 0.000 0.901) 14.128 13.006 ( -8.475 0.000 -1.294) 8.574 21.752 ( -0.448 0.000 5.425) 5.443 22.270 ( 8.862 -0.000 -7.895) 11.869 22.502 ( -3.459 0.000 -0.691) 3.528 22.571 ( -0.801 0.000 -1.200) 1.443 22.696 ( 3.459 -0.000 13.430) 13.868 23.499 ( 0.556 -0.000 -12.183) 12.196======================= Grid point 230 (82/126) =======================q-point: (-0.50 0.38 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.433 ( -5.105 7.587 13.586) 16.377 3.559 ( 1.633 -1.119 6.103) 6.416 3.913 ( -1.788 13.454 15.468) 20.578 4.525 ( 1.346 -8.912 9.440) 13.052 4.758 ( 5.858 3.374 -1.314) 6.887 4.926 ( 17.289 19.992 14.532) 30.163 5.234 ( 5.326 2.687 2.812) 6.595 5.293 ( 1.102 0.897 4.613) 4.827 5.487 ( -8.125 -1.488 7.806) 11.365 5.538 ( -1.060 -0.728 -2.756) 3.041 5.848 ( -0.511 -10.015 10.315) 14.386 5.980 ( 0.526 4.977 -9.715) 10.929 6.202 ( 0.376 7.549 6.682) 10.088 6.351 ( 2.153 2.272 -8.220) 8.796 6.425 ( 1.371 6.485 0.548) 6.651 6.516 ( 2.909 1.402 -1.898) 3.746 6.682 ( -5.476 14.667 8.150) 17.651 6.925 ( -5.838 -7.675 -6.665) 11.722 7.008 ( 5.960 -10.575 -0.823) 12.167 7.224 ( -11.306 -9.945 11.124) 18.721 7.722 ( -1.000 -0.404 0.724) 1.299 7.821 ( -0.165 -7.463 5.744) 9.419 8.396 ( 4.288 1.763 3.726) 5.948 8.481 ( -1.608 -0.956 2.982) 3.520 8.704 ( -5.740 -1.297 3.582) 6.889 8.947 ( -0.409 -2.146 3.545) 4.164 9.109 ( 3.058 -1.804 16.861) 17.231 9.150 ( 5.673 2.114 15.196) 16.357 9.575 ( 4.738 6.591 15.109) 17.152 9.788 ( -7.990 4.457 12.885) 15.803 9.978 ( -6.195 -2.695 8.554) 10.900 10.206 ( -5.580 -14.897 8.516) 18.044 11.465 ( 6.679 7.402 0.278) 9.974 11.873 ( 11.685 5.722 -9.281) 15.982 12.709 ( -7.954 -5.544 3.101) 10.179 12.942 ( -4.818 -6.708 -0.446) 8.270 21.741 ( -0.596 0.491 7.358) 7.398 22.373 ( 7.198 3.361 -6.815) 10.466 22.430 ( -2.664 3.109 -0.303) 4.106 22.524 ( -2.259 3.496 -2.020) 4.627 22.768 ( 1.933 -3.523 10.831) 11.552 23.477 ( -1.143 2.449 -11.224) 11.545======================= Grid point 231 (83/126) =======================q-point: (-0.38 0.38 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( 0.000 11.735 17.363) 20.957 3.565 ( 0.000 3.422 5.665) 6.618 3.672 ( 0.000 20.888 19.125) 28.320 4.682 ( 0.000 12.822 -3.361) 13.255 4.700 ( -0.000 -14.083 6.782) 15.631 4.867 ( 0.000 21.103 9.833) 23.281 5.111 ( 0.000 3.471 6.213) 7.117 5.290 ( 0.000 0.520 11.341) 11.353 5.439 ( 0.000 11.249 -9.839) 14.945 5.549 ( -0.000 -8.372 4.107) 9.325 5.899 ( 0.000 9.684 -4.153) 10.537 5.923 ( 0.000 7.622 4.029) 8.622 6.025 ( 0.000 17.595 11.440) 20.987 6.304 ( -0.000 -9.025 6.128) 10.909 6.474 ( 0.000 7.952 -5.321) 9.568 6.502 ( -0.000 -3.685 10.002) 10.659 6.521 ( -0.000 -0.098 -11.819) 11.820 6.995 ( -0.000 -7.228 0.227) 7.232 7.202 ( -0.000 -4.147 12.867) 13.519 7.280 ( -0.000 -18.709 -5.702) 19.559 7.694 ( 0.000 1.577 -5.363) 5.590 7.903 ( -0.000 -7.479 8.518) 11.336 8.420 ( -0.000 -0.623 2.919) 2.985 8.488 ( -0.000 -0.523 4.388) 4.419 8.686 ( -0.000 -3.152 4.614) 5.587 8.996 ( -0.000 -5.059 1.932) 5.415 9.093 ( 0.000 8.134 14.059) 16.242 9.159 ( 0.000 2.624 13.843) 14.089 9.606 ( 0.000 5.842 9.551) 11.196 9.666 ( -0.000 -7.287 24.682) 25.735 9.884 ( 0.000 3.226 7.281) 7.964 10.452 ( -0.000 -22.491 6.460) 23.400 11.387 ( 0.000 13.263 2.302) 13.461 11.848 ( 0.000 12.177 -10.253) 15.918 12.753 ( -0.000 -10.931 4.548) 11.840 13.032 ( -0.000 -12.936 0.093) 12.937 21.726 ( 0.000 1.037 8.015) 8.082 22.343 ( 0.000 6.272 1.255) 6.396 22.412 ( 0.000 6.910 -1.584) 7.089 22.424 ( 0.000 3.190 -9.018) 9.565 22.824 ( -0.000 -3.239 8.440) 9.040 23.421 ( 0.000 4.819 -9.860) 10.975======================= Grid point 239 (84/126) =======================q-point: (-0.50 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( -0.000 -0.000 17.454) 17.454 3.569 ( -0.000 -0.000 1.315) 1.315 4.002 ( -0.000 -0.000 13.027) 13.027 4.443 ( -0.000 -0.000 12.351) 12.351 4.861 ( 0.000 0.000 -1.792) 1.792 5.240 ( 0.000 0.000 15.818) 15.818 5.258 ( -0.000 -0.001 17.586) 17.586 5.380 ( 0.000 0.000 -9.949) 9.949 5.435 ( 0.000 0.010 -1.811) 1.811 5.453 ( -0.000 -0.010 13.761) 13.761 5.724 ( -0.000 -0.000 7.795) 7.795 6.000 ( 0.000 0.000 -8.455) 8.455 6.250 ( -0.000 -0.000 -2.231) 2.231 6.463 ( 0.000 0.003 -4.866) 4.866 6.466 ( -0.000 -0.003 5.733) 5.733 6.507 ( -0.000 -0.000 -13.964) 13.964 6.788 ( -0.000 -0.001 -11.116) 11.116 6.878 ( 0.000 0.000 20.176) 20.176 6.924 ( -0.000 -0.001 6.802) 6.802 7.017 ( -0.000 -0.000 1.662) 1.662 7.726 ( -0.000 -0.000 6.028) 6.028 7.772 ( -0.000 -0.000 0.308) 0.308 8.455 ( 0.000 0.001 4.080) 4.080 8.460 ( -0.000 -0.002 4.173) 4.173 8.646 ( -0.000 -0.000 3.073) 3.073 8.924 ( -0.000 -0.001 3.543) 3.543 9.120 ( -0.000 -0.000 20.130) 20.130 9.216 ( -0.000 -0.000 17.225) 17.225 9.688 ( -0.000 -0.001 8.847) 8.847 9.791 ( -0.000 -0.000 11.891) 11.891 9.929 ( -0.000 -0.000 8.430) 8.430 9.978 ( 0.000 0.000 10.375) 10.375 11.561 ( -0.000 -0.000 -0.073) 0.073 12.002 ( -0.000 -0.000 -11.163) 11.163 12.612 ( -0.000 -0.000 3.736) 3.736 12.858 ( -0.000 -0.000 0.233) 0.233 21.740 ( -0.000 -0.000 8.272) 8.272 22.428 ( -0.000 -0.001 0.248) 0.248 22.464 ( -0.000 -0.000 -9.501) 9.501 22.519 ( -0.000 -0.001 -1.244) 1.244 22.759 ( -0.000 -0.000 12.169) 12.169 23.482 ( -0.000 -0.000 -11.208) 11.208======================= Grid point 268 (85/126) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.896 ( 0.000 0.000 32.014) 32.014 2.984 ( 0.000 0.000 30.312) 30.312 3.034 ( 0.000 0.000 18.258) 18.258 3.732 ( 0.000 0.000 -13.286) 13.286 4.017 ( 0.000 0.000 -21.654) 21.654 4.051 ( 0.000 0.000 -23.321) 23.321 4.686 ( 0.000 0.000 -4.281) 4.281 4.736 ( 0.000 0.000 -6.947) 6.947 5.278 ( 0.000 0.000 50.915) 50.915 5.646 ( 0.000 0.000 0.157) 0.157 5.684 ( 0.000 0.000 -2.380) 2.380 6.153 ( 0.000 0.000 2.012) 2.012 6.154 ( 0.000 0.000 0.581) 0.581 6.373 ( 0.000 0.000 12.745) 12.745 6.893 ( 0.000 0.000 -22.156) 22.156 6.976 ( 0.000 0.000 -12.283) 12.283 7.014 ( 0.000 0.000 7.789) 7.789 7.044 ( 0.000 0.000 5.715) 5.715 7.344 ( 0.000 0.000 5.761) 5.761 7.523 ( 0.000 0.000 6.940) 6.940 7.729 ( 0.000 0.000 -10.767) 10.767 7.884 ( 0.000 0.000 -10.926) 10.926 8.773 ( 0.000 0.000 12.923) 12.923 8.781 ( 0.000 0.000 11.808) 11.808 8.958 ( 0.000 0.000 4.331) 4.331 9.008 ( 0.000 0.000 2.759) 2.759 9.014 ( 0.000 0.000 3.044) 3.044 9.078 ( 0.000 0.000 1.608) 1.608 9.685 ( 0.000 0.000 7.255) 7.255 9.825 ( 0.000 0.000 0.311) 0.311 10.227 ( 0.000 0.000 7.810) 7.810 10.509 ( 0.000 0.000 -5.106) 5.106 11.208 ( 0.000 0.000 24.924) 24.924 11.763 ( 0.000 0.000 0.256) 0.256 13.698 ( 0.000 0.000 6.202) 6.202 13.836 ( 0.000 0.000 -0.858) 0.858 21.798 ( 0.000 0.000 6.108) 6.108 21.957 ( 0.000 0.000 0.757) 0.757 21.981 ( 0.000 0.000 -0.434) 0.434 22.036 ( 0.000 0.000 -5.642) 5.642 22.890 ( 0.000 0.000 1.306) 1.306 22.953 ( 0.000 0.000 -1.939) 1.939======================= Grid point 269 (86/126) =======================q-point: ( 0.12 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( 8.530 -1.552 28.972) 30.242 3.100 ( 8.679 -7.686 29.330) 31.538 3.188 ( 9.727 -10.525 19.238) 23.989 3.801 ( 6.027 -3.552 -13.284) 15.014 4.074 ( 2.718 -4.487 -20.740) 21.393 4.150 ( 5.728 -7.753 -22.527) 24.503 4.687 ( 2.947 1.436 -1.786) 3.734 4.802 ( 1.722 -7.256 -7.443) 10.536 5.380 ( 8.377 -5.722 47.238) 48.315 5.626 ( -0.433 1.629 0.309) 1.713 5.691 ( 0.718 -0.714 -0.658) 1.208 6.095 ( -5.220 2.947 2.213) 6.390 6.141 ( -3.441 -1.582 0.244) 3.795 6.316 ( -2.773 4.773 9.782) 11.232 6.741 ( -4.089 16.862 -7.056) 18.730 6.951 ( -3.625 -2.370 -9.249) 10.213 7.030 ( 3.660 1.580 2.027) 4.472 7.072 ( 2.182 0.952 0.050) 2.382 7.308 ( -4.957 -1.816 0.294) 5.287 7.603 ( 6.622 -0.339 7.686) 10.151 7.716 ( -6.932 -4.048 -13.142) 15.400 7.909 ( 2.159 -4.214 -5.413) 7.191 8.669 ( 1.268 8.165 11.154) 13.881 8.851 ( 2.907 7.245 4.968) 9.254 8.897 ( -3.860 -3.262 8.384) 9.789 9.008 ( 0.573 -0.087 3.533) 3.580 9.076 ( 3.708 -3.708 2.944) 6.013 9.134 ( 1.072 -5.263 2.876) 6.093 9.726 ( 5.849 0.855 7.686) 9.696 9.851 ( 3.090 -0.670 1.446) 3.477 10.278 ( 0.822 -6.814 6.882) 9.719 10.538 ( -0.189 -4.586 -4.492) 6.422 11.148 ( -5.318 3.116 23.565) 24.358 11.681 ( -6.438 5.382 0.331) 8.398 13.637 ( -3.344 5.388 5.709) 8.533 13.767 ( -4.924 4.766 -0.952) 6.919 21.790 ( -1.059 -0.768 4.320) 4.513 21.920 ( -4.728 -2.065 -2.352) 5.670 22.031 ( 7.219 -2.265 2.759) 8.054 22.163 ( 10.179 -1.550 -3.527) 10.884 22.899 ( 0.094 -1.227 1.914) 2.275 22.987 ( 2.068 -2.747 -2.663) 4.349======================= Grid point 270 (87/126) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.157 ( 10.258 -4.396 25.130) 27.496 3.369 ( 11.455 -8.801 26.975) 30.600 3.516 ( 13.309 -13.284 17.968) 26.008 3.968 ( 9.126 -3.606 -14.088) 17.169 4.207 ( 4.896 -7.799 -16.053) 18.506 4.301 ( 2.512 -3.460 -16.584) 17.127 4.764 ( 4.392 -4.703 -0.517) 6.456 4.948 ( 4.031 -9.241 -7.676) 12.672 5.553 ( 3.652 -0.770 16.259) 16.682 5.639 ( 4.212 1.411 3.115) 5.426 5.786 ( 7.561 -9.703 19.790) 23.302 5.942 ( -6.095 5.996 4.951) 9.880 6.092 ( -5.226 -1.247 -2.794) 6.055 6.204 ( -4.291 4.607 4.023) 7.472 6.469 ( -2.691 15.678 -1.517) 15.979 6.891 ( -6.923 -0.269 0.455) 6.943 7.011 ( -5.865 3.132 1.571) 6.832 7.090 ( 5.531 2.141 5.923) 8.382 7.344 ( 6.136 -3.966 -12.836) 14.769 7.551 ( -8.092 2.271 -11.184) 13.990 7.737 ( 3.757 0.911 8.799) 9.611 8.027 ( 0.745 -9.478 -4.272) 10.423 8.627 ( 1.630 2.489 7.968) 8.506 8.735 ( -0.990 9.961 3.333) 10.550 8.920 ( 0.587 -1.316 7.832) 7.964 9.032 ( 1.305 -1.358 3.323) 3.820 9.130 ( 0.524 -0.763 6.116) 6.186 9.255 ( 4.784 -5.432 0.061) 7.239 9.816 ( 6.111 -0.347 9.442) 11.253 9.943 ( 5.485 -4.787 3.153) 7.933 10.389 ( 1.909 -5.960 5.618) 8.410 10.594 ( 0.510 -3.005 -1.148) 3.257 10.995 ( -8.987 2.898 18.384) 20.667 11.458 ( -10.751 9.000 0.475) 14.029 13.493 ( -4.419 7.426 4.242) 9.626 13.597 ( -7.367 6.913 -0.967) 10.149 21.794 ( -0.355 -1.460 3.017) 3.371 21.903 ( -2.148 -2.961 -2.559) 4.465 22.200 ( 10.157 -3.185 4.106) 11.409 22.334 ( 9.386 -1.590 -2.376) 9.812 22.915 ( -0.719 -1.790 3.477) 3.976 23.070 ( 3.156 -3.925 -4.480) 6.741======================= Grid point 271 (88/126) =======================q-point: ( 0.38 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.342 ( 6.789 -3.627 21.593) 22.924 3.603 ( 7.582 -5.515 23.045) 24.879 3.855 ( 10.359 -10.792 16.211) 22.059 4.118 ( 6.620 -0.791 -15.108) 16.514 4.305 ( -0.879 1.292 -4.387) 4.658 4.389 ( 4.414 -7.245 -10.072) 13.169 4.873 ( 1.555 -4.165 -2.469) 5.086 5.109 ( 2.110 -6.927 -7.033) 10.094 5.592 ( 1.153 -1.380 3.889) 4.284 5.629 ( 1.468 4.879 2.234) 5.564 5.847 ( 0.037 0.972 0.723) 1.212 5.951 ( 0.464 3.110 9.443) 9.953 6.045 ( -2.642 -2.591 -3.411) 5.033 6.078 ( -3.952 5.173 2.854) 7.107 6.419 ( 7.111 -2.948 10.425) 12.959 6.772 ( -7.018 0.717 0.386) 7.065 6.886 ( -2.842 1.611 11.836) 12.278 7.160 ( 6.097 0.926 3.752) 7.219 7.410 ( -5.119 3.683 -7.908) 10.114 7.469 ( 1.690 1.271 -0.508) 2.175 7.767 ( 1.815 -4.179 -1.883) 4.930 8.125 ( -0.117 -4.677 -7.393) 8.749 8.592 ( -4.758 3.888 6.280) 8.786 8.648 ( 3.953 3.473 5.199) 7.397 8.940 ( 0.590 -0.522 6.417) 6.465 9.049 ( -1.428 -0.801 2.489) 2.979 9.182 ( 6.438 -0.753 7.538) 9.942 9.347 ( 0.215 -1.975 -1.064) 2.253 9.922 ( 4.200 -5.085 12.701) 14.311 10.135 ( 7.739 -9.828 2.412) 12.739 10.395 ( -2.251 6.620 10.116) 12.298 10.606 ( 0.810 2.966 1.487) 3.415 10.860 ( -7.547 -1.049 9.905) 12.497 11.202 ( -8.626 5.661 -0.179) 10.319 13.357 ( -2.498 5.168 2.204) 6.149 13.416 ( -5.967 5.013 -0.524) 7.811 21.809 ( 0.002 -1.176 2.771) 3.010 21.916 ( -0.673 -2.115 -2.530) 3.365 22.381 ( 8.450 -2.579 3.187) 9.392 22.459 ( 5.237 -0.496 -0.726) 5.310 22.915 ( -1.728 -1.208 5.731) 6.107 23.159 ( 2.477 -2.892 -6.472) 7.509======================= Grid point 272 (89/126) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.418 ( 0.000 -0.000 20.179) 20.179 3.701 ( 0.000 -0.000 20.187) 20.187 4.010 ( 0.000 0.000 14.405) 14.405 4.173 ( -0.000 -0.000 -12.788) 12.788 4.282 ( 0.000 -0.000 -0.204) 0.204 4.474 ( 0.000 0.000 -6.675) 6.675 4.908 ( 0.000 -0.000 -3.278) 3.278 5.156 ( -0.000 -0.000 -4.559) 4.559 5.604 ( 0.000 0.000 2.854) 2.854 5.633 ( -0.000 -0.000 -3.117) 3.117 5.837 ( 0.000 -0.000 3.627) 3.627 5.917 ( -0.000 -0.000 -0.958) 0.958 5.982 ( 0.000 -0.000 2.518) 2.518 6.063 ( 0.000 0.000 -2.390) 2.390 6.498 ( -0.000 -0.000 3.779) 3.779 6.706 ( 0.000 -0.000 2.040) 2.040 6.925 ( -0.000 0.000 21.989) 21.989 7.254 ( -0.000 0.000 7.223) 7.223 7.274 ( 0.000 -0.000 -2.555) 2.555 7.424 ( 0.000 -0.000 3.593) 3.593 7.856 ( -0.000 0.000 -9.581) 9.581 8.140 ( 0.000 -0.000 -13.132) 13.132 8.519 ( 0.000 -0.000 9.685) 9.685 8.661 ( -0.000 0.000 4.204) 4.204 8.948 ( -0.000 -0.000 5.986) 5.986 9.038 ( 0.000 -0.000 3.397) 3.397 9.299 ( 0.001 -0.000 3.305) 3.305 9.303 ( -0.001 0.000 2.733) 2.733 10.025 ( -0.000 0.000 16.368) 16.368 10.247 ( 0.000 -0.000 6.406) 6.406 10.368 ( -0.000 0.000 6.635) 6.635 10.519 ( 0.000 -0.000 -2.160) 2.160 10.806 ( 0.000 -0.000 10.802) 10.802 11.113 ( 0.000 -0.000 -1.830) 1.830 13.310 ( -0.000 -0.000 0.621) 0.621 13.331 ( 0.000 -0.000 0.355) 0.355 21.817 ( 0.000 -0.000 2.801) 2.801 21.925 ( 0.000 -0.000 -2.485) 2.485 22.476 ( -0.000 -0.000 1.178) 1.178 22.492 ( 0.000 -0.000 0.891) 0.891 22.905 ( 0.000 -0.000 7.236) 7.236 23.197 ( 0.000 -0.000 -7.325) 7.325======================= Grid point 278 (90/126) =======================q-point: ( 0.12 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.142 ( 12.224 -0.000 29.001) 31.472 3.237 ( 16.170 -0.000 26.983) 31.458 3.321 ( 16.302 -0.000 17.118) 23.638 3.927 ( 13.241 -0.000 -12.440) 18.168 4.164 ( 9.605 -0.000 -18.949) 21.244 4.198 ( 8.360 -0.000 -22.988) 24.461 4.745 ( 0.770 -0.000 -0.510) 0.923 4.798 ( 6.830 -0.000 -3.617) 7.729 5.515 ( 12.279 -0.000 43.784) 45.473 5.628 ( 1.701 -0.000 1.698) 2.403 5.700 ( 1.264 -0.000 -3.908) 4.107 6.012 ( -7.932 0.000 1.094) 8.007 6.053 ( -6.255 0.000 -0.752) 6.300 6.307 ( -2.958 0.000 11.507) 11.881 6.797 ( -7.530 0.000 -2.643) 7.980 6.818 ( -6.567 0.000 -4.267) 7.831 7.060 ( -4.589 0.000 0.261) 4.596 7.104 ( 3.783 -0.000 5.156) 6.395 7.300 ( 4.610 -0.000 -14.241) 14.969 7.561 ( -6.132 0.000 -16.110) 17.237 7.728 ( 7.415 -0.000 8.431) 11.228 7.884 ( -1.401 0.000 0.506) 1.489 8.635 ( -9.237 0.000 13.331) 16.219 8.924 ( 5.989 -0.000 6.936) 9.164 8.968 ( -2.386 0.000 0.701) 2.487 8.979 ( 2.723 -0.000 5.604) 6.231 9.104 ( 1.198 -0.000 3.594) 3.788 9.114 ( 4.576 -0.000 3.042) 5.495 9.833 ( 6.383 -0.000 7.134) 9.573 9.851 ( -1.818 0.000 5.272) 5.577 10.326 ( 10.683 -0.000 4.516) 11.598 10.528 ( 3.507 -0.000 -5.457) 6.487 11.064 ( -8.541 0.000 23.382) 24.893 11.579 ( -11.473 0.000 0.375) 11.479 13.587 ( -7.284 0.000 4.318) 8.468 13.683 ( -9.848 0.000 -0.811) 9.881 21.774 ( -0.242 0.000 2.180) 2.193 21.865 ( -1.089 0.000 -2.723) 2.933 22.161 ( 11.395 -0.000 5.372) 12.598 22.314 ( 10.765 -0.000 -2.361) 11.021 22.890 ( -0.366 0.000 2.381) 2.409 23.018 ( 4.221 -0.000 -4.048) 5.849======================= Grid point 279 (91/126) =======================q-point: ( 0.25 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.312 ( 10.944 -0.233 23.688) 26.095 3.512 ( 16.333 -1.153 22.451) 27.787 3.618 ( 17.256 -6.304 16.148) 24.460 4.154 ( 15.675 0.809 -11.223) 19.296 4.289 ( 10.148 1.341 -16.206) 19.168 4.350 ( 6.945 0.037 -14.883) 16.424 4.777 ( 2.849 -2.315 3.384) 4.993 4.947 ( 7.816 -4.884 -3.114) 9.728 5.573 ( -0.137 -0.101 6.490) 6.493 5.715 ( 2.868 1.596 -3.553) 4.837 5.845 ( 12.412 -6.236 24.499) 28.163 5.890 ( -4.036 1.334 3.978) 5.822 5.968 ( -6.438 -2.478 -0.253) 6.903 6.239 ( -1.490 5.249 6.012) 8.119 6.583 ( -4.534 10.988 1.121) 11.939 6.756 ( -8.073 -2.930 1.164) 8.667 6.940 ( -8.326 2.250 0.922) 8.674 7.147 ( 0.832 -1.332 3.684) 4.005 7.429 ( 9.760 -1.738 -16.454) 19.210 7.471 ( -4.813 1.298 -11.958) 12.955 7.782 ( -0.662 3.816 8.631) 9.460 7.931 ( 1.835 -9.195 0.868) 9.416 8.507 ( -10.583 -4.462 12.838) 17.226 8.862 ( -2.112 7.190 -0.408) 7.505 8.971 ( 2.066 3.122 4.732) 6.034 9.010 ( -0.041 -0.948 3.466) 3.594 9.140 ( 2.916 -2.177 7.517) 8.351 9.233 ( 2.316 -6.147 2.140) 6.908 9.822 ( -1.717 -1.921 8.266) 8.658 9.927 ( 2.010 -5.587 4.992) 7.758 10.517 ( 14.279 3.405 3.835) 15.172 10.634 ( 8.224 -0.716 -1.463) 8.384 10.912 ( -7.384 3.135 18.835) 20.472 11.359 ( -13.304 4.438 0.361) 14.029 13.446 ( -9.083 1.896 2.491) 9.607 13.500 ( -12.309 1.738 -0.546) 12.443 21.783 ( 0.724 -0.671 1.916) 2.156 21.879 ( 1.867 -0.823 -3.176) 3.775 22.343 ( 11.507 -0.654 5.553) 12.794 22.457 ( 7.728 0.102 -0.775) 7.767 22.885 ( -1.105 -0.868 4.392) 4.611 23.102 ( 5.447 -1.370 -6.302) 8.441======================= Grid point 280 (92/126) =======================q-point: ( 0.38 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.456 ( 7.686 0.575 18.743) 20.266 3.690 ( 7.913 1.663 16.983) 18.809 3.944 ( 15.227 -4.803 15.948) 22.567 4.277 ( 6.289 6.687 -12.281) 15.333 4.365 ( 3.858 6.621 -2.366) 8.021 4.468 ( 11.400 -0.292 -7.987) 13.922 4.863 ( 2.915 -3.181 0.716) 4.373 5.108 ( 6.414 -2.536 -1.760) 7.118 5.573 ( -0.927 -0.723 0.633) 1.335 5.716 ( 3.039 3.890 -2.237) 5.420 5.835 ( -1.061 -2.073 -0.802) 2.463 5.930 ( -3.893 -3.503 0.149) 5.239 6.014 ( 0.400 4.911 9.409) 10.621 6.153 ( 1.623 5.962 2.060) 6.514 6.492 ( 1.816 2.068 4.222) 5.039 6.688 ( -3.006 -1.610 3.522) 4.902 6.852 ( -0.627 -3.492 10.030) 10.640 7.169 ( -2.188 -4.744 1.472) 5.428 7.348 ( -7.671 3.842 -3.264) 9.179 7.522 ( -0.388 6.122 2.427) 6.597 7.763 ( 4.606 -3.915 -4.064) 7.284 8.069 ( 2.125 -6.764 -5.275) 8.837 8.432 ( -9.779 -7.393 10.981) 16.458 8.737 ( -3.793 5.227 -0.937) 6.526 8.958 ( 0.366 0.974 4.997) 5.104 9.024 ( 0.575 -1.068 2.749) 3.005 9.224 ( 3.146 -3.504 6.660) 8.157 9.268 ( -5.150 -2.665 3.116) 6.583 9.859 ( -0.028 -6.264 11.631) 13.210 10.080 ( 4.591 -12.411 1.929) 13.372 10.496 ( -4.995 11.171 12.674) 17.617 10.712 ( 2.434 6.587 1.075) 7.104 10.878 ( 8.239 4.482 8.131) 12.413 11.164 ( -1.851 3.163 -1.053) 3.813 13.303 ( -8.971 -0.470 0.577) 9.002 13.317 ( -9.504 -0.954 0.367) 9.558 21.807 ( 1.223 -0.601 2.673) 3.000 21.927 ( 3.598 0.078 -3.456) 4.990 22.479 ( 5.570 0.635 3.059) 6.386 22.523 ( 2.164 1.613 0.376) 2.725 22.888 ( 0.390 -1.184 7.451) 7.554 23.192 ( 4.403 -0.370 -7.672) 8.854======================= Grid point 281 (93/126) =======================q-point: (-0.50 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.496 ( 2.689 6.298 16.905) 18.239 3.710 ( -0.817 3.659 16.326) 16.751 4.069 ( -0.608 6.963 15.176) 16.708 4.240 ( 3.182 7.220 -10.192) 12.889 4.355 ( 7.120 6.419 3.325) 10.146 4.570 ( 5.875 6.299 -7.656) 11.525 4.927 ( 2.750 -0.254 -1.932) 3.370 5.199 ( 5.595 1.151 -1.460) 5.896 5.552 ( -3.030 -0.048 -1.757) 3.503 5.702 ( -0.998 5.625 -2.557) 6.259 5.838 ( -1.163 0.576 3.519) 3.751 5.892 ( -3.753 1.588 2.224) 4.642 5.955 ( 3.783 -3.195 -0.127) 4.953 6.128 ( 2.198 3.704 -4.979) 6.584 6.516 ( 2.358 -0.431 6.516) 6.943 6.736 ( 5.215 -2.370 2.775) 6.365 6.896 ( -3.908 0.633 20.465) 20.844 7.122 ( -11.971 1.330 5.906) 13.415 7.232 ( -2.249 -10.088 -5.924) 11.913 7.470 ( 3.088 2.607 5.320) 6.681 7.848 ( -1.039 -0.189 -6.069) 6.161 8.162 ( 4.118 -1.248 -11.186) 11.985 8.400 ( -6.626 -8.390 10.846) 15.230 8.641 ( -4.757 -0.131 0.221) 4.764 8.964 ( 1.100 0.189 6.090) 6.192 9.050 ( 1.516 -0.299 2.967) 3.345 9.173 ( -8.167 -0.350 6.494) 10.440 9.303 ( -0.079 -4.316 0.702) 4.374 9.949 ( -1.709 -5.959 16.376) 17.510 10.264 ( -2.660 2.146 3.271) 4.731 10.308 ( -3.134 -3.873 10.849) 11.938 10.552 ( -2.053 3.964 -0.620) 4.507 10.974 ( 12.869 7.781 7.908) 16.991 11.205 ( 9.139 4.613 -2.358) 10.505 13.214 ( -6.753 -6.010 1.797) 9.217 13.272 ( -3.215 -6.281 -0.554) 7.078 21.828 ( 1.196 0.315 3.733) 3.933 21.974 ( 4.335 2.266 -3.474) 5.999 22.464 ( -4.258 3.825 1.367) 5.885 22.492 ( -1.952 2.363 0.379) 3.088 22.927 ( 2.834 -0.391 8.025) 8.519 23.225 ( 1.403 2.250 -7.273) 7.741======================= Grid point 282 (94/126) =======================q-point: (-0.38 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.381 ( -2.674 12.016 18.992) 22.632 3.588 ( -4.939 8.109 20.270) 22.384 3.847 ( -10.384 12.179 14.031) 21.284 4.165 ( 1.952 12.261 -7.764) 14.643 4.383 ( 5.929 6.647 -3.159) 9.451 4.497 ( 1.320 12.759 -11.691) 17.355 4.926 ( 0.418 6.120 -2.823) 6.753 5.206 ( 1.556 10.063 -8.620) 13.342 5.511 ( -4.359 -5.569 6.428) 9.557 5.586 ( -4.390 2.733 3.403) 6.191 5.820 ( -0.856 -2.316 1.610) 2.948 5.904 ( -0.330 -6.111 -0.553) 6.145 6.060 ( 4.683 0.777 5.248) 7.076 6.180 ( 7.168 0.101 -3.757) 8.093 6.387 ( -8.152 11.329 17.223) 22.168 6.848 ( 4.185 -4.800 6.620) 9.186 6.895 ( 3.484 -5.323 11.544) 13.181 7.019 ( -5.426 -2.942 -0.106) 6.174 7.369 ( 3.334 -11.794 -10.169) 15.926 7.448 ( -3.664 3.404 -5.727) 7.603 7.771 ( -4.966 2.812 4.459) 7.242 8.197 ( 2.313 4.003 -8.501) 9.676 8.433 ( -5.477 -9.781 8.746) 14.218 8.610 ( -1.982 -3.517 0.480) 4.066 8.974 ( 1.125 1.018 6.580) 6.752 9.042 ( -4.021 -0.122 4.549) 6.073 9.112 ( 1.380 -0.488 7.299) 7.445 9.311 ( -3.645 -1.237 -2.330) 4.499 9.856 ( -8.509 3.229 13.150) 15.992 10.085 ( -11.293 6.896 1.924) 13.371 10.386 ( 5.009 -10.080 15.589) 19.228 10.646 ( 5.876 0.939 -0.157) 5.953 11.071 ( 11.898 6.365 5.957) 14.750 11.285 ( 8.074 1.115 -0.578) 8.171 13.255 ( -2.242 -11.209 3.927) 12.087 13.367 ( 1.123 -11.189 -1.247) 11.314 21.832 ( 0.870 1.427 4.783) 5.067 21.999 ( 4.727 4.476 -3.346) 7.319 22.312 ( -7.200 5.755 2.132) 9.461 22.394 ( -6.252 3.458 -1.693) 7.342 22.958 ( 1.751 1.292 6.113) 6.489 23.182 ( -1.026 4.661 -5.623) 7.375======================= Grid point 283 (95/126) =======================q-point: (-0.25 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( -4.748 12.986 23.011) 26.845 3.392 ( -3.281 13.878 25.474) 29.194 3.521 ( -9.352 14.590 15.643) 23.346 4.006 ( -0.970 13.833 -8.748) 16.396 4.327 ( 1.692 13.968 -17.742) 22.644 4.364 ( 0.604 9.061 -14.205) 16.860 4.780 ( -4.390 9.698 -0.974) 10.690 5.049 ( -0.769 13.154 -10.866) 17.079 5.512 ( -3.440 1.547 15.624) 16.073 5.542 ( -2.766 -6.509 5.681) 9.071 5.834 ( -4.542 12.548 21.981) 25.714 5.911 ( 2.762 -8.888 4.541) 10.356 6.101 ( 1.671 -7.506 -0.572) 7.711 6.272 ( 4.359 -0.570 -2.431) 5.024 6.346 ( 3.380 -6.498 -0.092) 7.325 6.888 ( -3.757 -5.740 8.796) 11.155 6.980 ( -2.540 -4.785 5.386) 7.640 7.099 ( 8.729 1.587 -10.087) 13.434 7.333 ( -0.864 1.599 -5.487) 5.780 7.606 ( 5.482 -9.880 -7.702) 13.674 7.639 ( -7.012 1.250 9.772) 12.092 8.127 ( -1.514 8.248 -9.388) 12.588 8.465 ( -4.239 -8.301 9.649) 13.415 8.652 ( -0.623 -5.527 0.455) 5.581 8.971 ( -1.583 -1.557 5.373) 5.813 9.018 ( 3.362 2.592 5.903) 7.271 9.141 ( 0.096 0.453 5.092) 5.113 9.235 ( -3.744 3.061 1.735) 5.138 9.715 ( -6.100 0.861 9.678) 11.472 9.886 ( -6.426 2.942 1.203) 7.169 10.527 ( 4.030 4.086 8.484) 10.243 10.637 ( 1.437 4.343 6.270) 7.762 11.129 ( 6.564 5.846 8.238) 12.047 11.460 ( 5.796 -10.333 1.048) 11.894 13.398 ( 0.449 -13.249 5.727) 14.440 13.548 ( 2.454 -12.622 -1.466) 12.941 21.823 ( 0.657 1.729 5.985) 6.265 22.014 ( 5.738 5.261 -3.020) 8.350 22.138 ( -5.518 6.266 1.470) 8.477 22.234 ( -8.478 4.206 -3.288) 10.019 22.949 ( 0.324 2.407 4.160) 4.817 23.098 ( -1.319 5.626 -3.785) 6.908======================= Grid point 284 (96/126) =======================q-point: (-0.12 0.12 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( 0.000 9.249 26.544) 28.109 3.175 ( 0.000 14.559 28.982) 32.433 3.273 ( 0.000 14.193 17.983) 22.909 3.842 ( 0.000 9.907 -11.426) 15.123 4.181 ( 0.000 12.293 -21.211) 24.516 4.219 ( 0.000 11.564 -20.648) 23.666 4.665 ( 0.000 2.684 0.522) 2.734 4.896 ( 0.000 10.348 -10.617) 14.825 5.410 ( 0.000 8.229 39.369) 40.219 5.592 ( -0.000 -4.200 2.864) 5.084 5.703 ( 0.000 3.409 6.830) 7.634 6.059 ( -0.000 -9.585 5.526) 11.064 6.173 ( -0.000 -0.845 0.197) 0.868 6.309 ( -0.000 -0.251 1.375) 1.398 6.537 ( -0.000 -18.996 -4.797) 19.593 6.931 ( -0.000 -5.767 8.491) 10.264 7.014 ( -0.000 -3.276 5.173) 6.123 7.061 ( 0.000 7.037 -26.435) 27.355 7.457 ( 0.000 5.278 13.045) 14.072 7.458 ( -0.000 -5.407 6.617) 8.545 7.797 ( -0.000 -7.055 -10.319) 12.500 7.973 ( 0.000 12.822 -11.522) 17.239 8.534 ( -0.000 -8.929 11.031) 14.192 8.728 ( -0.000 -8.186 2.324) 8.510 8.982 ( -0.000 -1.745 4.563) 4.886 9.042 ( 0.000 7.148 9.870) 12.186 9.058 ( 0.000 2.046 0.388) 2.083 9.182 ( 0.000 3.049 4.417) 5.367 9.668 ( -0.000 -0.771 8.036) 8.073 9.822 ( 0.000 0.339 0.372) 0.504 10.413 ( 0.000 13.529 6.353) 14.947 10.608 ( 0.000 4.912 0.998) 5.013 11.154 ( -0.000 -1.647 18.552) 18.625 11.635 ( -0.000 -9.811 0.550) 9.826 13.558 ( -0.000 -10.927 6.337) 12.632 13.712 ( -0.000 -9.924 -1.261) 10.003 21.812 ( 0.000 1.120 6.767) 6.859 22.020 ( 0.000 5.108 0.488) 5.132 22.039 ( 0.000 4.702 -0.174) 4.705 22.077 ( 0.000 3.050 -6.362) 7.055 22.920 ( 0.000 2.298 2.703) 3.547 23.021 ( 0.000 4.944 -2.684) 5.626======================= Grid point 287 (97/126) =======================q-point: ( 0.25 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 186Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.444 ( 7.830 -0.000 19.129) 20.670 3.734 ( 10.886 -0.000 9.804) 14.650 3.875 ( 20.973 -0.000 18.733) 28.121 4.389 ( 13.515 -0.000 -7.382) 15.399 4.432 ( 6.656 -0.000 -11.401) 13.202 4.519 ( 13.141 -0.000 -11.709) 17.601 4.809 ( 4.472 -0.000 10.309) 11.237 5.061 ( 10.862 -0.000 1.890) 11.025 5.565 ( -0.949 0.000 1.757) 1.997 5.776 ( 4.335 -0.000 -8.357) 9.414 5.797 ( -3.305 0.000 -0.532) 3.348 5.862 ( -4.831 0.000 -1.230) 4.985 6.046 ( 11.857 -0.000 20.275) 23.488 6.253 ( -1.884 0.000 5.873) 6.168 6.585 ( -6.463 0.000 -1.138) 6.562 6.632 ( -0.905 0.000 10.347) 10.386 6.820 ( -9.202 0.000 -1.242) 9.286 7.098 ( -5.225 0.000 1.504) 5.437 7.417 ( -4.626 0.000 -10.354) 11.341 7.573 ( 9.999 -0.000 -13.813) 17.052 7.807 ( -2.658 0.000 7.781) 8.223 7.891 ( 3.731 -0.000 6.112) 7.161 8.293 ( -12.025 0.000 13.922) 18.396 8.803 ( -8.854 0.000 -5.107) 10.221 8.994 ( -1.980 0.000 3.669) 4.169 9.017 ( -0.696 0.000 1.066) 1.274 9.172 ( 3.664 -0.000 9.164) 9.869 9.220 ( 1.460 -0.000 6.297) 6.464 9.811 ( 2.216 -0.000 6.658) 7.017 9.881 ( -1.579 0.000 5.676) 5.892 10.663 ( -7.765 0.000 12.291) 14.538 10.778 ( 10.876 -0.000 2.698) 11.206 10.945 ( 12.355 -0.000 5.345) 13.461 11.211 ( -6.430 0.000 -0.222) 6.434 13.297 ( -11.369 0.000 0.798) 11.397 13.301 ( -14.830 0.000 0.108) 14.830 21.798 ( 1.766 -0.000 2.496) 3.058 21.928 ( 4.923 -0.000 -4.284) 6.526 22.492 ( 7.708 -0.000 4.253) 8.803 22.546 ( 3.821 -0.000 0.468) 3.850 22.868 ( 0.137 -0.000 7.677) 7.679 23.186 ( 6.176 -0.000 -8.045) 10.142======================= Grid point 288 (98/126) =======================q-point: ( 0.38 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.546 ( 5.039 -0.370 14.110) 14.988 3.809 ( 1.763 2.635 5.998) 6.784 4.154 ( 13.557 0.363 17.134) 21.852 4.438 ( 4.657 9.018 -3.891) 10.870 4.546 ( 7.802 1.905 -3.964) 8.956 4.690 ( 14.012 5.930 -5.957) 16.339 4.906 ( 7.627 0.628 9.710) 12.363 5.236 ( 11.119 -0.056 5.563) 12.433 5.544 ( -2.468 -2.023 -0.928) 3.323 5.754 ( -1.080 2.058 -2.855) 3.681 5.842 ( 2.039 0.365 -10.236) 10.444 5.882 ( 5.756 -3.657 -2.672) 7.324 6.060 ( -5.702 9.192 8.346) 13.662 6.236 ( 2.782 -0.863 5.310) 6.057 6.488 ( -4.898 3.673 -2.943) 6.793 6.662 ( 2.070 -3.066 6.599) 7.565 6.766 ( -1.594 -8.354 5.950) 10.380 7.017 ( -8.465 -4.133 0.421) 9.429 7.304 ( -6.973 6.966 1.626) 9.989 7.617 ( 0.498 9.119 2.875) 9.574 7.778 ( 2.189 -2.858 1.087) 3.760 8.009 ( -0.693 -12.090 4.897) 13.062 8.214 ( -2.050 -4.086 5.277) 6.982 8.648 ( -10.563 0.184 -6.387) 12.345 8.946 ( -3.466 -0.360 3.334) 4.823 9.010 ( -1.504 -2.234 0.161) 2.698 9.222 ( 1.193 2.592 7.923) 8.421 9.240 ( 3.377 -0.344 8.208) 8.882 9.820 ( 0.741 -0.306 10.555) 10.586 9.991 ( 4.214 -12.645 3.206) 13.708 10.456 ( -12.814 5.499 12.927) 19.014 10.706 ( -13.181 4.486 2.356) 14.121 11.148 ( 16.351 4.734 4.121) 17.514 11.300 ( 15.270 1.916 -2.238) 15.551 13.099 ( -13.420 -2.772 1.377) 13.772 13.148 ( -9.953 -3.026 -0.572) 10.419 21.830 ( 2.271 -0.012 4.032) 4.627 22.012 ( 6.585 0.764 -5.214) 8.434 22.538 ( -0.273 1.813 1.761) 2.543 22.560 ( -0.141 2.252 0.699) 2.362 22.903 ( 3.333 -1.067 10.558) 11.123 23.261 ( 3.878 0.698 -8.305) 9.193======================= Grid point 289 (99/126) =======================q-point: (-0.50 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( 0.642 3.186 11.100) 11.566 3.749 ( -2.953 4.335 8.261) 9.786 4.135 ( -3.941 11.341 14.750) 19.019 4.459 ( 10.290 9.275 1.341) 13.918 4.610 ( 9.272 7.835 -2.700) 12.436 4.759 ( 8.393 10.093 -0.931) 13.159 5.001 ( 7.305 2.164 2.607) 8.052 5.349 ( 7.724 3.904 6.122) 10.600 5.527 ( -1.603 2.579 -7.976) 8.534 5.717 ( -4.721 5.986 -2.842) 8.136 5.785 ( -5.228 0.711 6.585) 8.438 5.874 ( -2.812 2.482 -1.492) 4.037 6.056 ( 10.713 -0.687 -5.158) 11.910 6.186 ( -1.154 4.437 -7.272) 8.596 6.515 ( 2.674 -9.209 10.479) 14.205 6.745 ( -0.633 -3.951 9.207) 10.039 6.859 ( -0.759 2.376 8.014) 8.394 7.000 ( -3.944 -16.153 -6.485) 17.847 7.029 ( -8.729 9.038 8.292) 15.055 7.543 ( 0.098 5.023 3.086) 5.896 7.794 ( -6.062 -2.008 1.944) 6.675 8.134 ( -3.479 -12.523 4.430) 13.732 8.280 ( 5.840 0.199 -1.457) 6.023 8.530 ( -5.769 -2.345 -3.816) 7.303 8.908 ( -5.408 -3.762 4.293) 7.863 9.018 ( -1.886 -3.004 0.311) 3.560 9.206 ( 5.081 6.837 8.030) 11.706 9.273 ( 1.461 0.546 3.813) 4.120 9.872 ( -0.230 -3.981 15.635) 16.136 10.174 ( -4.009 -6.436 4.985) 9.074 10.222 ( -8.683 2.502 9.840) 13.360 10.495 ( -4.983 -4.831 0.071) 6.941 11.280 ( 12.399 9.094 5.585) 16.359 11.466 ( 13.312 7.825 -4.004) 15.952 12.999 ( -8.817 -8.613 3.278) 12.754 13.104 ( -5.606 -9.136 -1.366) 10.805 21.859 ( 1.957 0.729 5.883) 6.243 22.092 ( 6.860 2.743 -5.684) 9.321 22.453 ( -4.356 5.074 1.715) 6.904 22.497 ( -2.980 4.429 -0.171) 5.342 22.965 ( 2.743 -0.701 9.365) 9.783 23.274 ( 0.705 2.610 -7.194) 7.685======================= Grid point 290 (100/126) =======================q-point: (-0.38 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.471 ( -3.531 9.762 13.849) 17.308 3.654 ( -0.731 6.160 9.293) 11.174 3.891 ( -5.006 16.160 18.915) 25.377 4.414 ( 5.276 17.125 -0.072) 17.919 4.610 ( 5.707 10.769 -8.463) 14.838 4.693 ( 3.054 14.734 -5.686) 16.086 5.052 ( 5.633 8.512 0.714) 10.232 5.367 ( -5.528 -1.818 8.064) 9.944 5.414 ( 3.667 13.878 -7.667) 16.274 5.550 ( -4.777 3.235 1.740) 6.026 5.755 ( -3.602 -3.268 1.309) 5.037 5.816 ( -1.770 -3.889 -4.514) 6.215 6.171 ( 6.046 0.493 1.738) 6.310 6.272 ( 6.947 -1.588 -6.058) 9.353 6.464 ( -5.466 18.300 23.378) 30.187 6.691 ( -6.949 -10.611 9.409) 15.792 6.823 ( -3.562 -6.801 9.033) 11.855 7.033 ( 8.163 -5.876 -0.969) 10.104 7.276 ( 8.119 -16.081 -8.233) 19.807 7.445 ( -4.103 6.316 -8.953) 11.699 7.666 ( -10.769 0.309 10.961) 15.369 8.171 ( -6.304 -5.987 -2.272) 8.985 8.356 ( 4.570 0.774 2.574) 5.301 8.544 ( 0.698 -4.017 -0.914) 4.178 8.879 ( -4.772 -4.809 5.235) 8.562 9.032 ( -0.893 -2.828 -1.058) 3.148 9.193 ( 3.836 6.018 8.606) 11.180 9.285 ( 1.401 2.038 3.149) 4.004 9.795 ( -5.793 4.863 11.446) 13.719 10.002 ( -9.464 5.764 1.757) 11.220 10.278 ( 1.489 -14.475 19.073) 23.990 10.670 ( 4.064 -11.750 -2.541) 12.690 11.303 ( 6.713 9.082 6.625) 13.093 11.492 ( 6.646 11.758 -4.077) 14.109 13.049 ( -3.443 -14.003 5.240) 15.342 13.201 ( -1.312 -14.450 -1.780) 14.618 21.866 ( 0.990 1.656 7.468) 7.713 22.144 ( 6.298 4.637 -5.826) 9.753 22.313 ( -3.674 7.337 1.430) 8.329 22.366 ( -5.397 6.437 -1.386) 8.514 22.991 ( 0.939 0.742 7.258) 7.356 23.228 ( -0.636 4.492 -5.484) 7.117======================= Grid point 291 (101/126) =======================q-point: (-0.25 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 186Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.291 ( 0.000 13.649 18.910) 23.322 3.569 ( 0.000 8.717 8.632) 12.267 3.615 ( 0.000 19.846 25.345) 32.191 4.219 ( 0.000 19.383 -2.729) 19.574 4.519 ( 0.000 14.106 -8.147) 16.290 4.521 ( 0.000 13.016 -18.985) 23.019 4.904 ( 0.000 16.099 -0.598) 16.110 5.239 ( 0.000 17.794 -12.613) 21.811 5.403 ( -0.000 -10.312 9.903) 14.297 5.502 ( 0.000 0.260 9.642) 9.646 5.820 ( -0.000 -8.132 3.050) 8.685 5.884 ( -0.000 -5.891 -1.041) 5.982 6.088 ( 0.000 13.350 24.845) 28.205 6.284 ( -0.000 -0.424 -2.905) 2.936 6.376 ( 0.000 0.545 -1.684) 1.770 6.752 ( -0.000 -8.844 8.945) 12.579 6.880 ( -0.000 -7.509 5.585) 9.359 7.264 ( -0.000 -10.175 4.753) 11.231 7.279 ( 0.000 9.720 -21.547) 23.638 7.540 ( 0.000 1.991 17.995) 18.105 7.543 ( -0.000 -13.667 -8.640) 16.169 8.154 ( -0.000 -0.151 -8.602) 8.604 8.384 ( -0.000 -1.179 8.037) 8.123 8.597 ( -0.000 -3.545 -0.436) 3.572 8.902 ( -0.000 -4.738 5.393) 7.179 9.063 ( -0.000 -2.289 -2.673) 3.519 9.165 ( 0.000 3.924 9.282) 10.077 9.251 ( 0.000 3.853 5.359) 6.600 9.693 ( 0.000 3.448 9.645) 10.243 9.870 ( 0.000 3.784 1.017) 3.918 10.472 ( -0.000 -12.935 18.264) 22.381 10.752 ( 0.000 4.714 -0.002) 4.714 11.275 ( 0.000 6.370 3.967) 7.504 11.428 ( 0.000 2.070 -0.149) 2.075 13.214 ( -0.000 -15.921 6.220) 17.093 13.385 ( -0.000 -15.765 -1.839) 15.872 21.851 ( 0.000 1.913 7.964) 8.190 22.166 ( 0.000 3.847 -7.738) 8.642 22.187 ( 0.000 7.863 0.578) 7.884 22.202 ( 0.000 8.403 0.315) 8.408 22.980 ( 0.000 2.046 5.500) 5.868 23.159 ( 0.000 5.664 -4.162) 7.028======================= Grid point 296 (102/126) =======================q-point: ( 0.38 0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.604 ( 2.909 -0.000 9.451) 9.888 3.796 ( -4.661 0.000 3.743) 5.978 4.283 ( 2.631 -0.000 14.398) 14.636 4.578 ( 1.801 -0.000 -0.183) 1.811 4.651 ( 11.451 -0.000 1.944) 11.615 4.952 ( 14.375 -0.000 -9.079) 17.002 5.132 ( 15.888 -0.000 15.457) 22.166 5.383 ( 9.529 -0.000 12.029) 15.346 5.450 ( -5.184 0.000 0.476) 5.206 5.788 ( -0.928 0.000 -7.998) 8.052 5.866 ( 3.251 -0.000 -7.171) 7.874 5.980 ( 8.351 -0.000 -11.445) 14.168 6.034 ( -11.117 0.000 10.566) 15.337 6.204 ( 1.925 -0.000 5.678) 5.995 6.547 ( -6.052 0.000 -9.825) 11.540 6.549 ( -0.870 0.000 -7.024) 7.078 6.675 ( -1.018 0.000 13.426) 13.464 6.897 ( -2.919 0.000 -0.095) 2.921 7.282 ( -4.812 0.000 9.710) 10.837 7.680 ( -11.491 0.000 14.748) 18.697 7.727 ( -3.543 0.000 -0.907) 3.657 7.844 ( 3.712 -0.000 8.406) 9.189 8.298 ( 9.724 -0.000 -2.341) 10.002 8.498 ( -7.631 0.000 -7.517) 10.712 8.860 ( -6.333 0.000 3.203) 7.097 8.962 ( -2.294 0.000 -1.191) 2.585 9.309 ( 5.514 -0.000 9.638) 11.104 9.310 ( 6.095 -0.000 8.682) 10.608 9.860 ( 0.440 -0.000 8.861) 8.872 9.940 ( 4.704 -0.000 4.668) 6.627 10.280 ( -14.277 0.000 10.724) 17.856 10.491 ( -17.296 0.000 2.697) 17.505 11.404 ( 13.183 -0.000 3.757) 13.708 11.565 ( 15.964 -0.000 -4.080) 16.477 12.886 ( -11.565 0.000 2.857) 11.913 12.982 ( -8.633 0.000 -1.396) 8.745 21.868 ( 2.531 -0.000 6.138) 6.639 22.125 ( 7.569 -0.000 -6.834) 10.197 22.522 ( -3.019 0.000 1.934) 3.585 22.563 ( -1.658 0.000 0.030) 1.659 22.947 ( 3.101 -0.000 11.464) 11.876 23.306 ( 1.316 -0.000 -8.071) 8.178======================= Grid point 297 (103/126) =======================q-point: (-0.50 0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 320Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.615 ( -0.163 2.761 7.160) 7.676 3.716 ( -3.998 0.307 5.493) 6.801 4.228 ( -1.426 9.109 15.374) 17.927 4.620 ( 2.201 -2.915 -0.511) 3.688 4.773 ( 7.767 6.959 3.855) 11.119 5.096 ( 11.310 10.683 -6.391) 16.819 5.204 ( 8.522 10.752 9.451) 16.660 5.425 ( 1.269 0.241 4.714) 4.888 5.553 ( 3.870 -4.779 5.223) 8.068 5.711 ( -12.649 12.616 6.357) 18.963 5.763 ( 0.374 2.116 -6.516) 6.861 5.911 ( 2.490 4.396 -3.717) 6.272 6.169 ( 8.571 -5.067 -8.253) 12.932 6.206 ( -4.160 2.521 -5.515) 7.353 6.370 ( -4.133 -4.713 2.834) 6.879 6.647 ( -6.138 -8.360 1.611) 10.496 6.768 ( 3.553 -13.550 -1.022) 14.046 6.939 ( 6.198 1.781 3.356) 7.270 7.079 ( -5.417 13.510 14.306) 20.409 7.541 ( -7.962 -5.739 18.068) 20.562 7.658 ( -4.324 4.955 -6.868) 9.509 7.940 ( -2.614 -10.396 4.046) 11.458 8.406 ( 6.039 2.641 -1.916) 6.864 8.473 ( 1.957 -2.105 -2.962) 4.128 8.784 ( -5.267 -2.284 4.353) 7.204 8.946 ( -2.117 -2.688 -2.565) 4.276 9.355 ( 4.077 4.224 8.390) 10.240 9.386 ( 6.795 5.354 7.569) 11.495 9.855 ( 1.336 0.416 12.200) 12.280 10.039 ( -4.903 -3.178 8.942) 10.682 10.101 ( -7.914 -0.871 5.362) 9.599 10.306 ( -6.911 -10.316 1.334) 12.489 11.521 ( 7.074 5.649 4.581) 10.146 11.722 ( 8.776 5.329 -5.951) 11.867 12.788 ( -6.137 -6.124 4.405) 9.725 12.923 ( -4.323 -6.726 -1.703) 8.175 21.896 ( 1.617 0.685 8.106) 8.294 22.220 ( 5.925 1.530 -7.991) 10.065 22.457 ( -2.514 3.558 2.192) 4.877 22.508 ( -2.571 3.898 -0.229) 4.675 22.985 ( 1.291 -0.730 10.193) 10.301 23.302 ( -0.328 1.486 -7.143) 7.303======================= Grid point 298 (104/126) =======================q-point: (-0.38 0.38 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.543 ( 0.000 6.782 10.316) 12.346 3.685 ( 0.000 1.282 4.386) 4.569 4.062 ( 0.000 15.277 19.524) 24.790 4.677 ( 0.000 16.149 3.586) 16.542 4.680 ( -0.000 -1.419 -8.194) 8.316 4.977 ( 0.000 21.070 -2.527) 21.221 5.233 ( -0.000 -0.764 8.179) 8.214 5.330 ( 0.000 17.512 2.680) 17.716 5.499 ( -0.000 -0.316 7.217) 7.224 5.640 ( -0.000 -5.191 0.933) 5.274 5.731 ( 0.000 20.892 -10.828) 23.531 5.767 ( -0.000 -1.495 -4.852) 5.077 6.197 ( -0.000 -3.070 -3.679) 4.792 6.312 ( -0.000 -3.350 -8.962) 9.568 6.469 ( -0.000 -14.894 9.105) 17.457 6.684 ( -0.000 -7.482 4.966) 8.980 6.697 ( 0.000 24.624 25.349) 35.340 6.978 ( -0.000 -13.604 0.306) 13.607 7.177 ( -0.000 -13.720 -5.097) 14.636 7.504 ( 0.000 7.606 -4.411) 8.793 7.550 ( -0.000 -1.554 10.578) 10.692 8.025 ( -0.000 -8.548 1.287) 8.644 8.424 ( 0.000 2.378 -0.486) 2.427 8.522 ( -0.000 -2.061 -0.873) 2.238 8.781 ( -0.000 -4.349 4.998) 6.625 8.970 ( -0.000 -4.147 -3.539) 5.452 9.309 ( 0.000 7.385 8.140) 10.990 9.370 ( 0.000 6.240 6.427) 8.958 9.814 ( 0.000 5.224 9.849) 11.149 9.983 ( 0.000 4.501 2.181) 5.001 10.105 ( -0.000 -13.607 18.589) 23.037 10.499 ( -0.000 -19.103 -1.648) 19.174 11.477 ( 0.000 9.863 5.665) 11.374 11.688 ( 0.000 10.526 -6.045) 12.139 12.856 ( -0.000 -11.907 5.426) 13.084 13.015 ( -0.000 -12.791 -1.879) 12.928 21.895 ( 0.000 1.479 8.805) 8.928 22.246 ( 0.000 2.505 -8.798) 9.148 22.373 ( 0.000 6.535 1.811) 6.781 22.409 ( 0.000 7.488 0.268) 7.493 23.001 ( -0.000 -0.266 8.592) 8.596 23.270 ( 0.000 3.109 -6.057) 6.809======================= Grid point 306 (105/126) =======================q-point: (-0.50 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.638 ( 0.000 0.000 4.675) 4.675 3.676 ( -0.000 -0.000 6.931) 6.931 4.281 ( -0.000 -0.000 14.033) 14.033 4.598 ( -0.000 -0.000 2.276) 2.276 4.895 ( -0.000 -0.000 5.495) 5.495 5.279 ( -0.000 -0.000 -10.587) 10.587 5.293 ( -0.000 -0.000 1.403) 1.403 5.476 ( -0.000 -0.000 6.826) 6.826 5.554 ( -0.000 -0.000 11.831) 11.831 5.734 ( 0.000 0.001 13.857) 13.857 5.777 ( 0.000 0.000 -10.840) 10.840 5.901 ( -0.000 -0.001 7.438) 7.438 6.143 ( -0.000 -0.001 -6.490) 6.490 6.254 ( -0.000 -0.000 -11.241) 11.241 6.360 ( 0.000 0.002 -5.035) 5.035 6.460 ( -0.000 -0.002 -9.230) 9.230 6.734 ( -0.000 -0.000 7.590) 7.590 7.006 ( -0.000 -0.000 -2.905) 2.905 7.182 ( 0.000 0.000 16.351) 16.351 7.344 ( -0.000 -0.000 23.277) 23.277 7.709 ( 0.000 0.000 -6.632) 6.632 7.829 ( -0.000 -0.000 2.336) 2.336 8.472 ( -0.000 -0.000 -1.364) 1.364 8.492 ( -0.000 -0.000 -0.654) 0.654 8.723 ( -0.000 -0.000 4.600) 4.600 8.912 ( -0.000 -0.001 -3.440) 3.440 9.432 ( 0.000 0.000 10.752) 10.752 9.474 ( -0.000 -0.000 8.363) 8.363 9.887 ( -0.000 -0.000 9.666) 9.666 9.990 ( -0.000 -0.000 8.336) 8.336 10.045 ( -0.000 -0.000 2.815) 2.815 10.122 ( 0.000 0.000 3.627) 3.627 11.610 ( -0.000 -0.000 4.359) 4.359 11.824 ( -0.000 -0.000 -6.899) 6.899 12.700 ( -0.000 -0.000 4.804) 4.804 12.845 ( -0.000 -0.000 -1.687) 1.687 21.914 ( -0.000 -0.000 9.081) 9.081 22.278 ( -0.000 -0.000 -9.174) 9.174 22.460 ( -0.000 -0.001 2.411) 2.411 22.512 ( -0.000 -0.001 0.020) 0.020 22.989 ( -0.000 -0.000 10.428) 10.428 23.307 ( -0.000 -0.000 -7.120) 7.120======================= Grid point 335 (106/126) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.344 ( 0.000 0.000 -5.352) 5.352 3.344 ( 0.000 0.000 5.352) 5.352 3.544 ( 0.000 0.000 -25.913) 25.913 3.544 ( 0.000 0.000 25.913) 25.913 3.581 ( 0.000 0.000 -16.633) 16.633 3.581 ( 0.000 0.000 16.633) 16.633 4.655 ( 0.000 0.000 -1.220) 1.220 4.655 ( 0.000 0.000 1.220) 1.220 5.646 ( 0.000 0.000 -1.278) 1.278 5.646 ( 0.000 0.000 1.278) 1.278 6.153 ( 0.000 0.000 -6.807) 6.807 6.153 ( 0.000 0.000 6.807) 6.807 6.208 ( 0.000 0.000 -32.471) 32.471 6.208 ( 0.000 0.000 32.471) 32.471 6.702 ( 0.000 0.000 -13.730) 13.730 6.702 ( 0.000 0.000 13.730) 13.730 7.100 ( 0.000 0.000 -0.527) 0.527 7.100 ( 0.000 0.000 0.527) 0.527 7.528 ( 0.000 0.000 -9.985) 9.985 7.528 ( 0.000 0.000 9.985) 9.985 7.680 ( 0.000 0.000 -9.175) 9.175 7.680 ( 0.000 0.000 9.175) 9.175 8.926 ( 0.000 0.000 -1.193) 1.193 8.926 ( 0.000 0.000 1.193) 1.193 9.024 ( 0.000 0.000 -5.097) 5.097 9.024 ( 0.000 0.000 5.097) 5.097 9.041 ( 0.000 0.000 -0.275) 0.275 9.041 ( 0.000 0.000 0.275) 0.275 9.793 ( 0.000 0.000 -3.520) 3.520 9.793 ( 0.000 0.000 3.520) 3.520 10.379 ( 0.000 0.000 -7.292) 7.292 10.379 ( 0.000 0.000 7.292) 7.292 11.620 ( 0.000 0.000 -14.640) 14.640 11.620 ( 0.000 0.000 14.640) 14.640 13.795 ( 0.000 0.000 -3.431) 3.431 13.795 ( 0.000 0.000 3.431) 3.431 21.920 ( 0.000 0.000 -6.011) 6.011 21.920 ( 0.000 0.000 6.011) 6.011 21.970 ( 0.000 0.000 -0.594) 0.594 21.970 ( 0.000 0.000 0.594) 0.594 22.920 ( 0.000 0.000 -1.582) 1.582 22.920 ( 0.000 0.000 1.582) 1.582======================= Grid point 337 (107/126) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.438 ( 10.672 -0.633 -13.996) 17.612 3.438 ( 10.672 -0.633 13.996) 17.612 3.628 ( 5.052 -6.611 -22.754) 24.227 3.628 ( 5.052 -6.611 22.754) 24.227 3.682 ( 4.588 -10.376 -20.772) 23.668 3.682 ( 4.588 -10.376 20.772) 23.668 4.699 ( 3.401 -2.985 -2.934) 5.393 4.699 ( 3.401 -2.985 2.934) 5.393 5.638 ( -0.037 0.994 -0.982) 1.397 5.638 ( -0.037 0.994 0.982) 1.397 6.124 ( -4.437 -0.128 -2.114) 4.917 6.124 ( -4.437 -0.128 2.114) 4.917 6.253 ( 2.888 -2.334 -32.147) 32.361 6.253 ( 2.888 -2.334 32.147) 32.361 6.614 ( -1.078 9.210 -9.887) 13.555 6.614 ( -1.078 9.210 9.887) 13.555 7.104 ( 1.963 2.127 -1.264) 3.159 7.104 ( 1.963 2.127 1.264) 3.159 7.448 ( -11.627 -3.757 -10.967) 16.419 7.448 ( -11.627 -3.757 10.967) 16.419 7.779 ( 7.993 -2.736 -7.455) 11.267 7.779 ( 7.993 -2.736 7.455) 11.267 8.838 ( 0.995 10.552 -5.140) 11.779 8.838 ( 0.995 10.552 5.140) 11.779 9.023 ( -1.713 -2.614 -2.653) 4.100 9.023 ( -1.713 -2.614 2.653) 4.100 9.130 ( 2.760 -5.397 -2.326) 6.493 9.130 ( 2.760 -5.397 2.326) 6.493 9.835 ( 5.405 0.012 -3.113) 6.237 9.835 ( 5.405 0.012 3.113) 6.237 10.416 ( -0.353 -6.251 -6.818) 9.257 10.416 ( -0.353 -6.251 6.818) 9.257 11.544 ( -6.084 4.923 -14.133) 16.155 11.544 ( -6.084 4.923 14.133) 16.155 13.727 ( -4.457 5.132 -3.257) 7.537 13.727 ( -4.457 5.132 3.257) 7.537 21.865 ( -4.039 -1.635 -3.215) 5.415 21.865 ( -4.039 -1.635 3.215) 5.415 22.094 ( 10.169 -1.684 -3.397) 10.853 22.094 ( 10.169 -1.684 3.397) 10.853 22.941 ( 0.899 -2.133 -2.188) 3.185 22.941 ( 0.899 -2.133 2.188) 3.185======================= Grid point 339 (108/126) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( 10.106 -1.579 -20.211) 22.652 3.616 ( 10.106 -1.579 20.211) 22.652 3.850 ( 10.267 -8.967 -11.774) 18.013 3.850 ( 10.267 -8.967 11.774) 18.013 3.905 ( 6.027 -11.638 -14.198) 19.323 3.905 ( 6.027 -11.639 14.198) 19.323 4.821 ( 5.253 -5.712 -5.047) 9.257 4.821 ( 5.253 -5.712 5.047) 9.257 5.630 ( 0.408 0.667 -1.584) 1.767 5.630 ( 0.408 0.667 1.584) 1.767 6.030 ( -6.046 1.924 -3.616) 7.303 6.030 ( -6.046 1.924 3.616) 7.303 6.230 ( -2.714 8.382 -7.640) 11.662 6.230 ( -2.714 8.382 7.640) 11.662 6.598 ( 4.877 -3.457 -20.986) 21.821 6.598 ( 4.877 -3.457 20.986) 21.821 7.107 ( 1.506 0.550 -5.662) 5.884 7.107 ( 1.506 0.550 5.662) 5.884 7.318 ( -6.596 0.936 -10.285) 12.255 7.318 ( -6.596 0.936 10.285) 12.255 7.916 ( 3.100 -3.998 -7.421) 8.981 7.916 ( 3.100 -3.998 7.421) 8.981 8.738 ( 0.857 7.738 -2.972) 8.333 8.738 ( 0.857 7.738 2.972) 8.333 9.033 ( -0.861 -1.930 -3.114) 3.764 9.033 ( -0.861 -1.930 3.114) 3.764 9.223 ( 3.326 -2.674 -3.202) 5.335 9.223 ( 3.326 -2.674 3.202) 5.335 9.944 ( 6.736 -2.789 -3.220) 7.970 9.944 ( 6.736 -2.789 3.220) 7.970 10.504 ( 0.796 -6.436 -5.770) 8.681 10.504 ( 0.796 -6.436 5.770) 8.681 11.336 ( -10.298 7.963 -12.664) 18.162 11.336 ( -10.298 7.963 12.664) 18.162 13.563 ( -6.373 7.256 -2.622) 10.007 13.563 ( -6.373 7.256 2.622) 10.007 21.850 ( -1.750 -2.549 -2.694) 4.101 21.850 ( -1.750 -2.549 2.694) 4.101 22.277 ( 10.706 -1.980 -3.420) 11.412 22.277 ( 10.706 -1.980 3.420) 11.412 22.990 ( 0.986 -3.130 -3.864) 5.069 22.990 ( 0.986 -3.130 3.864) 5.069======================= Grid point 341 (109/126) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.758 ( 5.473 -2.090 -19.774) 20.624 3.758 ( 5.473 -2.090 19.774) 20.624 4.033 ( 4.718 -2.802 -17.812) 18.638 4.033 ( 4.718 -2.802 17.812) 18.638 4.163 ( 8.129 -10.090 -11.614) 17.400 4.163 ( 8.129 -10.090 11.614) 17.400 4.956 ( 3.122 -4.581 -7.715) 9.500 4.956 ( 3.122 -4.581 7.715) 9.500 5.624 ( -0.559 0.821 -1.078) 1.465 5.624 ( -0.559 0.821 1.078) 1.465 5.932 ( -1.391 3.307 -5.799) 6.819 5.932 ( -1.391 3.307 5.799) 6.819 6.075 ( -3.698 5.971 -2.730) 7.535 6.075 ( -3.698 5.971 2.730) 7.535 6.660 ( -3.959 -1.632 -10.212) 11.074 6.660 ( -3.959 -1.632 10.212) 11.074 7.218 ( 9.781 -6.171 -16.995) 20.557 7.218 ( 9.781 -6.171 16.995) 20.557 7.257 ( -0.193 1.393 -5.326) 5.508 7.257 ( -0.193 1.393 5.326) 5.508 7.932 ( -3.727 0.824 -11.559) 12.173 7.932 ( -3.727 0.824 11.559) 12.173 8.677 ( 0.358 3.723 -1.773) 4.139 8.677 ( 0.358 3.723 1.773) 4.139 9.041 ( -0.790 -1.347 -3.102) 3.473 9.041 ( -0.790 -1.347 3.102) 3.473 9.297 ( 3.555 -0.753 -4.046) 5.438 9.297 ( 3.555 -0.753 4.046) 5.438 10.103 ( 5.707 -8.149 -5.416) 11.327 10.103 ( 5.707 -8.149 5.416) 11.327 10.546 ( -0.042 3.021 -5.666) 6.422 10.546 ( -0.042 3.021 5.666) 6.422 11.099 ( -8.718 4.578 -10.065) 14.081 11.099 ( -8.718 4.578 10.065) 14.081 13.397 ( -4.596 5.162 -1.552) 7.084 13.397 ( -4.596 5.162 1.552) 7.084 21.864 ( -0.518 -1.911 -2.683) 3.334 21.864 ( -0.518 -1.911 2.683) 3.334 22.434 ( 7.098 -1.099 -1.944) 7.441 22.434 ( 7.098 -1.099 1.944) 7.441 23.036 ( 0.449 -2.371 -6.134) 6.591 23.036 ( 0.449 -2.371 6.134) 6.591======================= Grid point 343 (110/126) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.813 ( 0.000 -0.000 -19.170) 19.170 3.813 ( 0.000 -0.000 19.170) 19.170 4.083 ( 0.000 -0.000 -16.192) 16.192 4.083 ( 0.000 -0.000 16.192) 16.192 4.300 ( 0.000 -0.000 -10.477) 10.477 4.300 ( 0.000 -0.000 10.477) 10.477 5.007 ( -0.000 -0.000 -9.277) 9.277 5.007 ( -0.000 -0.000 9.277) 9.277 5.605 ( 0.000 -0.000 -0.461) 0.461 5.605 ( 0.000 -0.000 0.461) 0.461 5.911 ( 0.000 -0.000 -1.754) 1.754 5.911 ( 0.000 -0.000 1.754) 1.754 6.010 ( 0.000 0.000 -1.870) 1.870 6.010 ( 0.000 0.000 1.870) 1.870 6.614 ( -0.000 -0.000 -6.553) 6.553 6.614 ( -0.000 -0.000 6.553) 6.553 7.249 ( 0.000 -0.000 -1.768) 1.768 7.249 ( 0.000 -0.000 1.768) 1.768 7.390 ( -0.000 0.000 -16.279) 16.279 7.390 ( -0.000 0.000 16.279) 16.279 7.859 ( 0.000 -0.000 -12.850) 12.850 7.859 ( 0.000 -0.000 12.850) 12.850 8.657 ( -0.000 0.000 -3.918) 3.918 8.657 ( -0.000 0.000 3.918) 3.918 9.043 ( 0.000 -0.000 -2.705) 2.705 9.043 ( 0.000 -0.000 2.705) 2.705 9.331 ( -0.000 -0.000 -0.024) 0.024 9.331 ( -0.000 -0.000 0.024) 0.024 10.250 ( -0.000 -0.000 -5.724) 5.724 10.250 ( -0.000 -0.000 5.724) 5.724 10.464 ( 0.000 -0.000 -3.311) 3.311 10.464 ( 0.000 -0.000 3.311) 3.311 11.011 ( 0.000 -0.000 -8.433) 8.433 11.011 ( 0.000 -0.000 8.433) 8.433 13.328 ( 0.000 -0.000 -0.726) 0.726 13.328 ( 0.000 -0.000 0.726) 0.726 21.873 ( 0.000 -0.000 -2.732) 2.732 21.873 ( 0.000 -0.000 2.732) 2.732 22.496 ( 0.000 -0.000 -0.541) 0.541 22.496 ( 0.000 -0.000 0.541) 0.541 23.055 ( 0.000 -0.000 -7.346) 7.346 23.055 ( 0.000 -0.000 7.346) 7.346======================= Grid point 355 (111/126) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( 7.747 -0.000 -8.254) 11.320 3.629 ( 7.747 -0.000 8.254) 11.320 3.712 ( 15.275 -0.000 -13.972) 20.701 3.712 ( 15.275 -0.000 13.972) 20.701 3.749 ( 14.107 -0.000 -17.791) 22.705 3.749 ( 14.107 -0.000 17.791) 22.705 4.752 ( 6.040 -0.000 -1.169) 6.152 4.752 ( 6.040 -0.000 1.169) 6.152 5.638 ( -0.508 0.000 -2.032) 2.094 5.638 ( -0.508 0.000 2.032) 2.094 6.031 ( -7.195 0.000 -1.329) 7.317 6.031 ( -7.195 0.000 1.329) 7.317 6.301 ( 4.159 -0.000 -27.102) 27.419 6.301 ( 4.159 -0.000 27.102) 27.419 6.653 ( -1.056 0.000 -5.564) 5.663 6.653 ( -1.056 0.000 5.564) 5.663 7.122 ( -2.670 0.000 -4.366) 5.117 7.122 ( -2.670 0.000 4.366) 5.117 7.287 ( -4.943 0.000 -11.272) 12.308 7.287 ( -4.943 0.000 11.272) 12.308 7.851 ( 4.460 -0.000 -3.886) 5.915 7.851 ( 4.460 -0.000 3.886) 5.915 8.869 ( -6.719 0.000 -9.104) 11.315 8.869 ( -6.719 0.000 9.104) 11.315 9.018 ( 3.380 -0.000 -1.434) 3.672 9.018 ( 3.380 -0.000 1.434) 3.672 9.144 ( 4.237 -0.000 -0.306) 4.248 9.144 ( 4.237 -0.000 0.306) 4.248 9.906 ( 3.071 -0.000 -0.200) 3.078 9.906 ( 3.071 -0.000 0.200) 3.078 10.420 ( 6.829 -0.000 -5.050) 8.493 10.420 ( 6.829 -0.000 5.050) 8.493 11.448 ( -10.699 0.000 -13.549) 17.264 11.448 ( -10.699 0.000 13.549) 17.264 13.654 ( -9.067 0.000 -2.335) 9.363 13.654 ( -9.067 0.000 2.335) 9.363 21.817 ( -1.157 0.000 -2.197) 2.483 21.817 ( -1.157 0.000 2.197) 2.483 22.254 ( 12.112 -0.000 -3.840) 12.706 22.254 ( 12.112 -0.000 3.840) 12.706 22.948 ( 1.669 -0.000 -3.208) 3.616 22.948 ( 1.669 -0.000 3.208) 3.616======================= Grid point 357 (112/126) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.716 ( 4.698 -1.392 -11.393) 12.402 3.716 ( 4.698 -1.392 11.393) 12.402 3.979 ( 16.325 -3.375 -17.057) 23.850 3.979 ( 16.325 -3.375 17.057) 23.850 4.020 ( 17.775 0.294 -9.750) 20.276 4.020 ( 17.775 0.294 9.750) 20.276 4.870 ( 7.679 -2.014 -4.614) 9.182 4.870 ( 7.679 -2.014 4.614) 9.182 5.631 ( -0.416 -0.009 -3.176) 3.203 5.631 ( -0.416 -0.009 3.176) 3.203 5.930 ( -6.747 -1.362 -2.369) 7.279 5.930 ( -6.747 -1.362 2.369) 7.279 6.291 ( -2.107 6.194 -7.238) 9.757 6.291 ( -2.107 6.194 7.238) 9.757 6.640 ( 0.570 1.255 -8.975) 9.081 6.640 ( 0.570 1.255 8.975) 9.081 7.088 ( -0.438 -3.125 -12.732) 13.117 7.088 ( -0.438 -3.125 12.732) 13.117 7.268 ( -0.001 -0.591 -7.384) 7.407 7.268 ( -0.001 -0.591 7.384) 7.407 7.911 ( 1.243 -1.801 -3.595) 4.209 7.911 ( 1.243 -1.801 3.595) 4.209 8.747 ( -7.507 1.245 -10.056) 12.611 8.747 ( -7.507 1.245 10.056) 12.611 9.030 ( 0.568 1.427 -1.175) 1.934 9.030 ( 0.568 1.427 1.175) 1.934 9.239 ( 3.868 -3.164 -2.131) 5.432 9.239 ( 3.868 -3.164 2.131) 5.432 9.940 ( -0.350 -4.009 -3.190) 5.136 9.940 ( -0.350 -4.009 3.190) 5.136 10.584 ( 13.233 0.764 -2.897) 13.568 10.584 ( 13.233 0.764 2.897) 13.568 11.242 ( -12.312 4.313 -12.025) 17.742 11.242 ( -12.312 4.313 12.025) 17.742 13.485 ( -11.144 1.842 -1.281) 11.367 13.485 ( -11.144 1.842 1.281) 11.367 21.825 ( 1.120 -0.964 -2.348) 2.774 21.825 ( 1.120 -0.964 2.348) 2.774 22.426 ( 9.951 0.060 -2.697) 10.310 22.426 ( 9.951 0.060 2.697) 10.310 22.986 ( 2.355 -1.285 -5.526) 6.143 22.986 ( 2.355 -1.285 5.526) 6.143======================= Grid point 359 (113/126) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.790 ( 1.946 -1.768 -11.704) 11.996 3.790 ( 1.946 -1.768 11.704) 11.996 4.183 ( 11.770 6.748 -10.990) 17.459 4.183 ( 11.770 6.748 10.990) 17.459 4.260 ( 13.093 -2.261 -11.586) 17.629 4.260 ( 13.093 -2.261 11.586) 17.629 4.996 ( 6.421 -0.040 -8.546) 10.689 4.996 ( 6.421 -0.040 8.546) 10.689 5.619 ( -0.755 0.624 -4.492) 4.597 5.619 ( -0.755 0.624 4.492) 4.597 5.892 ( -2.334 -3.763 -3.635) 5.729 5.892 ( -2.334 -3.763 3.635) 5.729 6.137 ( -3.144 10.363 -3.775) 11.469 6.137 ( -3.144 10.363 3.775) 11.469 6.606 ( -2.266 -0.378 -6.602) 6.990 6.606 ( -2.266 -0.378 6.602) 6.990 7.155 ( -4.233 -6.978 -7.227) 10.902 7.155 ( -4.233 -6.978 7.227) 10.902 7.338 ( 8.874 -1.539 -9.605) 13.167 7.338 ( 8.874 -1.539 9.605) 13.167 7.907 ( -1.516 1.708 -10.627) 10.870 7.907 ( -1.516 1.708 10.627) 10.870 8.635 ( -7.557 -1.874 -8.445) 11.486 8.635 ( -7.557 -1.874 8.445) 11.486 9.029 ( 0.220 -0.687 -1.914) 2.045 9.029 ( 0.220 -0.687 1.914) 2.045 9.298 ( -0.242 -1.535 -0.804) 1.749 9.298 ( -0.242 -1.535 0.804) 1.749 10.033 ( 2.320 -9.689 -5.858) 11.558 10.033 ( 2.320 -9.689 5.858) 11.558 10.672 ( 1.512 9.027 -5.100) 10.477 10.672 ( 1.512 9.027 5.100) 10.477 11.067 ( -0.092 3.409 -8.466) 9.127 11.067 ( -0.092 3.409 8.466) 9.127 13.317 ( -9.389 -0.730 -0.498) 9.430 13.317 ( -9.389 -0.730 0.498) 9.430 21.863 ( 2.436 -0.591 -3.006) 3.914 21.863 ( 2.436 -0.591 3.006) 3.914 22.519 ( 3.426 1.529 -0.989) 3.879 22.519 ( 3.426 1.529 0.989) 3.879 23.043 ( 3.101 -0.817 -7.654) 8.299 23.043 ( 3.101 -0.817 7.654) 8.299======================= Grid point 361 (114/126) =======================q-point: (-0.50 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.799 ( -2.260 0.470 -10.959) 11.199 3.799 ( -2.260 0.470 10.959) 11.199 4.195 ( 4.770 10.538 -8.563) 14.392 4.195 ( 4.770 10.538 8.563) 14.392 4.386 ( 5.901 6.583 -10.085) 13.412 4.386 ( 5.901 6.583 10.085) 13.412 5.053 ( 4.010 3.167 -10.450) 11.632 5.053 ( 4.010 3.167 10.450) 11.632 5.603 ( -0.614 0.020 -5.343) 5.379 5.603 ( -0.614 0.020 5.343) 5.379 5.902 ( -2.640 1.795 -2.224) 3.891 5.902 ( -2.640 1.795 2.224) 3.891 6.013 ( 0.642 0.202 -5.678) 5.718 6.013 ( 0.642 0.202 5.678) 5.718 6.658 ( 7.121 -2.249 -6.596) 9.963 6.658 ( 7.121 -2.249 6.596) 9.963 7.136 ( -8.123 -6.903 -3.897) 11.350 7.136 ( -8.123 -6.903 3.897) 11.350 7.381 ( -5.072 4.816 -16.048) 17.506 7.381 ( -5.072 4.816 16.048) 17.506 7.912 ( 6.023 0.301 -12.068) 13.491 7.912 ( 6.023 0.301 12.068) 13.491 8.575 ( -6.352 -5.061 -6.367) 10.320 8.575 ( -6.352 -5.061 6.367) 10.320 9.051 ( 0.732 -1.191 -2.437) 2.810 9.051 ( 0.732 -1.191 2.437) 2.810 9.276 ( -3.758 -0.815 -3.407) 5.138 9.276 ( -3.758 -0.815 3.407) 5.138 10.193 ( -0.501 -6.045 -8.096) 10.116 10.193 ( -0.501 -6.045 8.096) 10.116 10.494 ( -3.543 4.545 -5.779) 8.162 10.494 ( -3.543 4.545 5.779) 8.162 11.122 ( 10.184 5.183 -6.206) 13.003 11.122 ( 10.184 5.183 6.206) 13.003 13.251 ( -4.746 -6.248 -1.596) 8.007 13.251 ( -4.746 -6.248 1.596) 8.007 21.902 ( 2.946 1.048 -3.689) 4.836 21.902 ( 2.946 1.048 3.689) 4.836 22.489 ( -3.320 3.223 -0.805) 4.697 22.489 ( -3.320 3.223 0.805) 4.697 23.083 ( 2.297 1.246 -7.394) 7.842 23.083 ( 2.297 1.246 7.394) 7.842======================= Grid point 363 (115/126) =======================q-point: (-0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.707 ( -6.239 4.121 -11.328) 13.573 3.707 ( -6.239 4.121 11.328) 13.573 4.088 ( -0.114 11.951 -11.568) 16.633 4.088 ( -0.114 11.951 11.568) 16.633 4.281 ( 0.588 16.582 -7.121) 18.056 4.281 ( 0.588 16.582 7.121) 18.056 5.015 ( 0.142 9.140 -8.988) 12.820 5.015 ( 0.142 9.140 8.988) 12.820 5.600 ( -1.896 -2.011 -1.963) 3.390 5.600 ( -1.896 -2.011 1.963) 3.390 5.860 ( -1.478 -6.002 -2.469) 6.656 5.860 ( -1.478 -6.002 2.469) 6.656 6.112 ( 6.799 -2.621 -2.507) 7.706 6.112 ( 6.799 -2.621 2.507) 7.706 6.767 ( 4.220 5.831 -14.215) 15.934 6.767 ( 4.220 5.831 14.215) 15.934 7.086 ( -9.622 -3.819 -3.002) 10.779 7.086 ( -9.622 -3.819 3.002) 10.779 7.234 ( -0.430 -1.573 -6.460) 6.663 7.234 ( -0.430 -1.573 6.460) 6.663 7.982 ( 1.492 1.287 -12.390) 12.546 7.982 ( 1.492 1.287 12.390) 12.546 8.569 ( -3.920 -6.414 -4.565) 8.794 8.569 ( -3.920 -6.414 4.565) 8.794 9.062 ( -1.029 -0.530 -2.073) 2.374 9.062 ( -1.029 -0.530 2.073) 2.374 9.239 ( -1.412 -0.217 -5.000) 5.200 9.239 ( -1.412 -0.217 5.000) 5.200 10.047 ( -10.823 5.680 -5.818) 13.537 10.047 ( -10.823 5.680 5.818) 13.537 10.590 ( 6.621 -4.048 -5.862) 9.726 10.590 ( 6.621 -4.048 5.862) 9.726 11.213 ( 9.283 2.219 -6.654) 11.635 11.213 ( 9.283 2.219 6.654) 11.635 13.326 ( -0.133 -11.346 -2.937) 11.721 13.326 ( -0.133 -11.346 2.937) 11.721 21.923 ( 3.186 2.913 -4.237) 6.049 21.923 ( 3.186 2.913 4.237) 6.049 22.358 ( -7.295 4.637 -2.131) 8.903 22.358 ( -7.295 4.637 2.131) 8.903 23.075 ( 0.544 3.337 -5.515) 6.469 23.075 ( 0.544 3.337 5.515) 6.469======================= Grid point 365 (116/126) =======================q-point: (-0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.537 ( -6.505 6.638 -12.506) 15.581 3.537 ( -6.505 6.638 12.506) 15.581 3.909 ( -1.773 14.511 -20.294) 25.011 3.909 ( -1.773 14.511 20.294) 25.011 4.051 ( -1.091 18.883 -11.589) 22.182 4.051 ( -1.091 18.883 11.589) 22.182 4.861 ( -2.459 10.717 -7.487) 13.302 4.861 ( -2.459 10.717 7.487) 13.302 5.599 ( -1.264 -2.229 -0.237) 2.573 5.599 ( -1.264 -2.229 0.237) 2.573 5.996 ( 1.753 -12.733 -3.313) 13.273 5.996 ( 1.753 -12.733 3.313) 13.273 6.226 ( 4.364 -1.264 -3.272) 5.599 6.226 ( 4.364 -1.264 3.272) 5.599 6.623 ( -3.275 11.179 -28.062) 30.383 6.623 ( -3.275 11.179 28.062) 30.383 7.020 ( -4.962 -4.729 -2.993) 7.480 7.020 ( -4.962 -4.729 2.993) 7.480 7.408 ( 10.384 -7.096 -8.730) 15.310 7.408 ( 10.384 -7.096 8.730) 15.310 7.904 ( -6.159 4.955 -12.843) 15.080 7.904 ( -6.159 4.955 12.843) 15.080 8.610 ( -1.751 -7.198 -4.755) 8.803 8.610 ( -1.751 -7.198 4.755) 8.803 9.046 ( -1.373 -0.749 -1.911) 2.469 9.046 ( -1.373 -0.749 1.911) 2.469 9.228 ( 0.698 2.394 -2.760) 3.720 9.228 ( 0.698 2.394 2.760) 3.720 9.856 ( -7.097 2.503 -4.294) 8.664 9.856 ( -7.097 2.503 4.294) 8.664 10.640 ( 3.293 7.946 -3.848) 9.423 10.640 ( 3.293 7.946 3.848) 9.423 11.362 ( 5.971 -6.818 -10.456) 13.838 11.362 ( 5.971 -6.818 10.456) 13.838 13.496 ( 1.760 -13.077 -3.839) 13.742 13.496 ( 1.760 -13.077 3.839) 13.742 21.933 ( 3.845 3.487 -4.944) 7.168 21.933 ( 3.845 3.487 4.944) 7.168 22.179 ( -7.874 5.326 -2.415) 9.808 22.179 ( -7.874 5.326 2.415) 9.808 23.027 ( -0.328 4.327 -3.636) 5.662 23.027 ( -0.328 4.327 3.636) 5.662======================= Grid point 367 (117/126) =======================q-point: (-0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.400 ( 0.000 5.715 -13.064) 14.259 3.400 ( 0.000 5.715 13.064) 14.259 3.717 ( 0.000 13.103 -25.367) 28.551 3.717 ( 0.000 13.103 25.367) 28.551 3.818 ( 0.000 16.554 -16.220) 23.176 3.818 ( 0.000 16.554 16.220) 23.176 4.731 ( 0.000 6.752 -5.890) 8.960 4.731 ( 0.000 6.752 5.890) 8.960 5.617 ( -0.000 -2.027 -0.089) 2.028 5.617 ( -0.000 -2.027 0.089) 2.028 6.137 ( -0.000 -5.123 -2.700) 5.791 6.137 ( -0.000 -5.123 2.700) 5.791 6.261 ( 0.000 0.386 -19.877) 19.881 6.261 ( 0.000 0.386 19.877) 19.881 6.527 ( -0.000 -1.667 -16.591) 16.674 6.527 ( -0.000 -1.667 16.591) 16.674 7.044 ( -0.000 -4.456 -2.317) 5.022 7.044 ( -0.000 -4.456 2.317) 5.022 7.605 ( -0.000 -6.121 -8.617) 10.569 7.605 ( -0.000 -6.121 8.617) 10.569 7.727 ( 0.000 10.441 -13.174) 16.809 7.727 ( 0.000 10.441 13.174) 16.809 8.698 ( -0.000 -9.640 -5.129) 10.920 8.698 ( -0.000 -9.640 5.129) 10.920 9.045 ( -0.000 -0.246 -1.809) 1.826 9.045 ( -0.000 -0.246 1.809) 1.826 9.185 ( 0.000 5.319 -3.857) 6.570 9.185 ( 0.000 5.319 3.857) 6.570 9.788 ( 0.000 0.169 -3.886) 3.889 9.788 ( 0.000 0.169 3.886) 3.889 10.536 ( 0.000 11.084 -5.706) 12.467 10.536 ( 0.000 11.084 5.706) 12.467 11.507 ( -0.000 -8.248 -13.317) 15.664 11.507 ( -0.000 -8.248 13.317) 15.664 13.661 ( -0.000 -10.532 -3.900) 11.231 13.661 ( -0.000 -10.532 3.900) 11.231 21.947 ( 0.000 2.061 -6.687) 6.997 21.947 ( 0.000 2.061 6.687) 6.997 22.032 ( 0.000 4.978 -0.556) 5.008 22.032 ( 0.000 4.978 0.556) 5.008 22.972 ( 0.000 3.875 -2.457) 4.588 22.972 ( 0.000 3.875 2.457) 4.588======================= Grid point 373 (118/126) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.760 ( 2.727 -0.000 -9.396) 9.784 3.760 ( 2.727 -0.000 9.396) 9.784 4.219 ( 17.333 -0.000 -13.815) 22.165 4.219 ( 17.333 -0.000 13.815) 22.165 4.302 ( 16.427 -0.000 -3.095) 16.716 4.302 ( 16.427 -0.000 3.095) 16.716 5.003 ( 11.634 -0.000 -7.373) 13.773 5.003 ( 11.634 -0.000 7.373) 13.773 5.628 ( 0.057 -0.000 -5.542) 5.542 5.628 ( 0.057 -0.000 5.542) 5.542 5.819 ( -6.022 0.000 -2.487) 6.515 5.819 ( -6.022 0.000 2.487) 6.515 6.306 ( -1.286 0.000 -3.710) 3.927 6.306 ( -1.286 0.000 3.710) 3.927 6.603 ( -6.356 0.000 -4.000) 7.510 6.603 ( -6.356 0.000 4.000) 7.510 7.045 ( -3.246 0.000 -11.547) 11.995 7.045 ( -3.246 0.000 11.547) 11.995 7.321 ( 8.085 -0.000 -4.148) 9.087 7.321 ( 8.085 -0.000 4.148) 9.087 7.916 ( 0.997 -0.000 -2.698) 2.876 7.916 ( 0.997 -0.000 2.698) 2.876 8.598 ( -11.819 0.000 -14.303) 18.554 8.598 ( -11.819 0.000 14.303) 18.554 9.029 ( -2.188 0.000 -0.236) 2.200 9.029 ( -2.188 0.000 0.236) 2.200 9.278 ( 3.640 -0.000 -1.149) 3.817 9.278 ( 3.640 -0.000 1.149) 3.817 9.903 ( 0.150 -0.000 -2.388) 2.393 9.903 ( 0.150 -0.000 2.388) 2.393 10.791 ( 7.050 -0.000 -1.866) 7.292 10.791 ( 7.050 -0.000 1.866) 7.292 11.117 ( -3.310 0.000 -8.678) 9.288 11.117 ( -3.310 0.000 8.678) 9.288 13.305 ( -13.325 0.000 -0.037) 13.325 13.305 ( -13.325 0.000 0.037) 13.325 21.854 ( 3.379 -0.000 -3.179) 4.639 21.854 ( 3.379 -0.000 3.179) 4.639 22.543 ( 5.030 -0.000 -1.114) 5.152 22.543 ( 5.030 -0.000 1.114) 5.152 23.029 ( 4.265 -0.000 -8.000) 9.065 23.029 ( 4.265 -0.000 8.000) 9.065======================= Grid point 375 (119/126) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.788 ( -0.075 -0.697 -8.337) 8.366 3.788 ( -0.075 -0.697 8.337) 8.366 4.413 ( 7.340 3.077 -6.321) 10.163 4.413 ( 7.340 3.077 6.321) 10.163 4.496 ( 16.417 4.637 -9.404) 19.479 4.496 ( 16.417 4.637 9.404) 19.479 5.164 ( 11.832 5.334 -11.650) 17.441 5.164 ( 11.832 5.334 11.650) 17.441 5.618 ( -1.080 0.697 -8.690) 8.785 5.618 ( -1.080 0.697 8.690) 8.785 5.805 ( 0.173 -6.143 -4.047) 7.358 5.805 ( 0.173 -6.143 4.047) 7.358 6.214 ( -3.883 10.783 -6.240) 13.050 6.214 ( -3.883 10.783 6.240) 13.050 6.547 ( -1.703 -6.260 -7.169) 9.668 6.547 ( -1.703 -6.260 7.169) 9.668 6.979 ( -8.668 -4.123 -5.248) 10.940 6.979 ( -8.668 -4.123 5.248) 10.940 7.453 ( 6.229 1.330 -12.431) 13.967 7.453 ( 6.229 1.330 12.431) 13.967 7.936 ( 2.959 0.879 -8.566) 9.106 7.936 ( 2.959 0.879 8.566) 9.106 8.443 ( -11.023 -4.269 -13.079) 17.630 8.443 ( -11.023 -4.269 13.079) 17.630 8.995 ( -3.035 -1.845 -1.647) 3.915 8.995 ( -3.035 -1.845 1.647) 3.915 9.314 ( 2.439 2.512 -0.759) 3.583 9.314 ( 2.439 2.512 0.759) 3.583 9.970 ( 3.159 -7.225 -4.585) 9.122 9.970 ( 3.159 -7.225 4.585) 9.122 10.663 ( -13.752 5.199 -6.741) 16.173 10.663 ( -13.752 5.199 6.741) 16.173 11.237 ( 15.264 2.833 -4.132) 16.065 11.237 ( 15.264 2.833 4.132) 16.065 13.129 ( -11.567 -2.964 -1.390) 12.022 13.129 ( -11.567 -2.964 1.390) 12.022 21.915 ( 4.627 0.173 -4.532) 6.479 21.915 ( 4.627 0.173 4.532) 6.479 22.563 ( -0.516 2.107 -0.589) 2.248 22.563 ( -0.516 2.107 0.589) 2.248 23.096 ( 4.075 0.045 -8.760) 9.661 23.096 ( 4.075 0.045 8.760) 9.661======================= Grid point 377 (120/126) =======================q-point: (-0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.764 ( -3.256 0.770 -6.072) 6.932 3.764 ( -3.256 0.770 6.072) 6.932 4.393 ( 2.550 9.950 -11.326) 15.290 4.393 ( 2.550 9.950 11.326) 15.290 4.626 ( 11.245 10.742 -8.759) 17.848 4.626 ( 11.245 10.742 8.759) 17.848 5.215 ( 8.132 8.361 -13.528) 17.862 5.215 ( 8.132 8.361 13.528) 17.862 5.585 ( -2.213 1.133 -8.668) 9.018 5.585 ( -2.213 1.133 8.668) 9.018 5.878 ( -3.960 2.324 -3.100) 5.540 5.878 ( -3.960 2.324 3.100) 5.540 6.041 ( 2.144 0.867 -5.684) 6.137 6.041 ( 2.144 0.867 5.684) 6.137 6.722 ( 8.248 -11.475 -9.486) 17.021 6.722 ( 8.248 -11.475 9.486) 17.021 6.903 ( -8.665 -5.053 -4.119) 10.843 6.903 ( -8.665 -5.053 4.119) 10.843 7.374 ( -6.637 9.211 -16.550) 20.069 7.374 ( -6.637 9.211 16.550) 20.069 7.990 ( 1.779 -1.039 -12.760) 12.926 7.990 ( 1.779 -1.039 12.761) 12.926 8.403 ( -3.253 -6.611 -8.254) 11.064 8.403 ( -3.253 -6.611 8.254) 11.064 8.985 ( -4.125 -4.464 -3.144) 6.843 8.985 ( -4.125 -4.464 3.144) 6.843 9.300 ( 3.291 5.256 -1.470) 6.373 9.300 ( 3.291 5.256 1.470) 6.373 10.110 ( -1.565 -5.064 -8.004) 9.600 10.110 ( -1.565 -5.064 8.004) 9.600 10.427 ( -7.396 -1.670 -7.102) 10.389 10.427 ( -7.396 -1.670 7.102) 10.389 11.385 ( 12.304 7.703 -4.572) 15.219 11.385 ( 12.304 7.703 4.572) 15.219 13.063 ( -6.843 -9.030 -2.782) 11.667 13.063 ( -6.843 -9.030 2.782) 11.667 21.977 ( 4.659 1.426 -5.904) 7.655 21.977 ( 4.659 1.426 5.904) 7.655 22.485 ( -3.802 5.020 -1.150) 6.401 22.485 ( -3.802 5.020 1.150) 6.401 23.133 ( 1.824 1.294 -7.513) 7.839 23.133 ( 1.824 1.294 7.513) 7.839======================= Grid point 379 (121/126) =======================q-point: (-0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.678 ( -3.946 3.903 -5.979) 8.157 3.678 ( -3.946 3.903 5.979) 8.157 4.275 ( 1.483 13.900 -18.105) 22.873 4.275 ( 1.483 13.900 18.105) 22.873 4.543 ( 3.565 19.866 -8.284) 21.817 4.543 ( 3.565 19.866 8.284) 21.817 5.195 ( 4.878 14.460 -11.024) 18.826 5.195 ( 4.878 14.460 11.024) 18.826 5.521 ( -4.602 -2.175 -6.368) 8.152 5.521 ( -4.602 -2.175 6.368) 8.152 5.773 ( -2.922 -2.773 -2.533) 4.758 5.773 ( -2.922 -2.773 2.533) 4.758 6.178 ( 6.502 -3.863 -2.655) 8.016 6.178 ( 6.502 -3.863 2.655) 8.016 6.847 ( -7.653 -7.930 -4.246) 11.811 6.847 ( -7.653 -7.930 4.246) 11.811 6.940 ( 4.962 6.801 -14.728) 16.965 6.940 ( 4.962 6.801 14.728) 16.965 7.204 ( -0.297 -4.038 -7.407) 8.441 7.204 ( -0.297 -4.038 7.407) 8.441 7.964 ( -5.276 0.019 -14.828) 15.739 7.964 ( -5.276 0.019 14.828) 15.739 8.474 ( 1.546 -4.650 -5.801) 7.593 8.474 ( 1.546 -4.650 5.801) 7.593 8.974 ( -4.095 -4.606 -4.170) 7.442 8.974 ( -4.095 -4.606 4.170) 7.442 9.300 ( 4.079 4.523 -2.135) 6.455 9.300 ( 4.079 4.523 2.135) 6.455 9.966 ( -8.605 5.704 -5.337) 11.621 9.966 ( -8.605 5.704 5.337) 11.621 10.558 ( 3.321 -13.419 -9.279) 16.650 10.558 ( 3.321 -13.419 9.279) 16.650 11.413 ( 6.378 9.530 -4.450) 12.300 11.413 ( 6.378 9.530 4.450) 12.300 13.144 ( -2.083 -14.406 -3.980) 15.091 13.144 ( -2.083 -14.406 3.980) 15.091 22.013 ( 3.541 2.731 -7.132) 8.418 22.013 ( 3.541 2.731 7.132) 8.418 22.343 ( -4.472 7.480 -1.337) 8.816 22.343 ( -4.472 7.480 1.337) 8.816 23.121 ( 0.257 2.908 -5.716) 6.419 23.121 ( 0.257 2.908 5.716) 6.419======================= Grid point 381 (122/126) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.576 ( 0.000 6.840 -8.372) 10.811 3.576 ( 0.000 6.840 8.372) 10.811 4.100 ( 0.000 16.414 -23.018) 28.271 4.100 ( 0.000 16.414 23.018) 28.271 4.299 ( 0.000 21.968 -10.398) 24.305 4.299 ( 0.000 21.968 10.398) 24.305 5.014 ( 0.000 16.548 -9.492) 19.077 5.014 ( 0.000 16.548 9.492) 19.077 5.545 ( -0.000 -4.688 -3.643) 5.937 5.545 ( -0.000 -4.688 3.643) 5.937 5.849 ( -0.000 -11.190 -0.852) 11.222 5.849 ( -0.000 -11.190 0.852) 11.222 6.259 ( -0.000 -0.877 -1.286) 1.556 6.259 ( -0.000 -0.877 1.286) 1.556 6.767 ( 0.000 15.499 -29.219) 33.076 6.767 ( 0.000 15.499 29.219) 33.076 6.891 ( -0.000 -7.992 -4.075) 8.971 6.891 ( -0.000 -7.992 4.075) 8.971 7.382 ( -0.000 -12.016 -7.200) 14.009 7.382 ( -0.000 -12.016 7.200) 14.009 7.891 ( 0.000 2.919 -16.247) 16.507 7.891 ( 0.000 2.919 16.247) 16.507 8.535 ( -0.000 -4.109 -5.737) 7.057 8.535 ( -0.000 -4.109 5.737) 7.057 8.996 ( -0.000 -3.973 -4.039) 5.665 8.996 ( -0.000 -3.973 4.039) 5.665 9.282 ( 0.000 3.835 -2.218) 4.430 9.282 ( 0.000 3.835 2.218) 4.430 9.836 ( 0.000 4.070 -4.521) 6.083 9.836 ( 0.000 4.070 4.521) 6.083 10.703 ( -0.000 -3.728 -5.914) 6.992 10.703 ( -0.000 -3.728 5.914) 6.992 11.376 ( 0.000 2.743 -5.127) 5.815 11.376 ( 0.000 2.743 5.127) 5.815 13.323 ( -0.000 -16.015 -4.421) 16.614 13.323 ( -0.000 -16.015 4.421) 16.614 22.010 ( 0.000 2.836 -7.937) 8.429 22.010 ( 0.000 2.836 7.937) 8.429 22.201 ( 0.000 8.387 -0.506) 8.402 22.201 ( 0.000 8.387 0.506) 8.402 23.078 ( 0.000 4.150 -4.332) 5.999 23.078 ( 0.000 4.150 4.332) 5.999======================= Grid point 391 (123/126) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.769 ( -2.013 0.000 -5.888) 6.223 3.769 ( -2.013 0.000 5.888) 6.223 4.500 ( 2.335 -0.000 -7.354) 7.716 4.500 ( 2.335 -0.000 7.354) 7.716 4.769 ( 15.500 -0.000 -8.814) 17.831 4.769 ( 15.500 -0.000 8.814) 17.831 5.396 ( 9.360 -0.000 -8.862) 12.889 5.396 ( 9.360 -0.000 8.862) 12.889 5.598 ( -0.186 0.000 -9.576) 9.578 5.598 ( -0.186 0.000 9.576) 9.578 5.801 ( 5.485 -0.000 -4.565) 7.136 5.801 ( 5.485 -0.000 4.565) 7.136 6.241 ( -7.188 0.000 -7.050) 10.068 6.241 ( -7.188 0.000 7.050) 10.068 6.430 ( -2.195 0.000 -2.637) 3.431 6.430 ( -2.195 0.000 2.637) 3.431 6.848 ( -4.410 0.000 -4.969) 6.643 6.848 ( -4.410 0.000 4.969) 6.643 7.528 ( 0.985 -0.000 -12.550) 12.589 7.528 ( 0.985 -0.000 12.550) 12.589 7.945 ( -5.065 0.000 -1.968) 5.434 7.945 ( -5.065 0.000 1.968) 5.434 8.314 ( 0.722 -0.000 -7.246) 7.282 8.314 ( 0.722 -0.000 7.246) 7.282 8.921 ( -4.515 0.000 -2.743) 5.283 8.921 ( -4.515 0.000 2.743) 5.283 9.402 ( 5.672 -0.000 -0.234) 5.677 9.402 ( 5.672 -0.000 0.234) 5.677 9.965 ( 2.985 -0.000 -2.052) 3.622 9.965 ( 2.985 -0.000 2.052) 3.622 10.457 ( -16.540 0.000 -5.955) 17.579 10.457 ( -16.540 0.000 5.955) 17.579 11.486 ( 14.009 -0.000 -4.078) 14.591 11.486 ( 14.009 -0.000 4.078) 14.591 12.943 ( -9.763 0.000 -2.568) 10.096 12.943 ( -9.763 0.000 2.568) 10.096 21.994 ( 5.332 -0.000 -6.469) 8.383 21.994 ( 5.332 -0.000 6.469) 8.383 22.555 ( -2.339 0.000 -1.099) 2.584 22.555 ( -2.339 0.000 1.099) 2.584 23.146 ( 2.240 -0.000 -8.607) 8.893 23.146 ( 2.240 -0.000 8.607) 8.893======================= Grid point 393 (124/126) =======================q-point: (-0.50 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.729 ( -2.430 0.782 -3.498) 4.331 3.729 ( -2.430 0.782 3.498) 4.331 4.497 ( 0.615 3.836 -10.849) 11.524 4.497 ( 0.615 3.836 10.849) 11.524 4.918 ( 9.926 8.722 -9.445) 16.242 4.918 ( 9.926 8.722 9.445) 16.242 5.408 ( 1.635 4.507 -9.409) 10.560 5.408 ( 1.635 4.507 9.409) 10.560 5.623 ( 4.928 4.581 -6.542) 9.384 5.623 ( 4.928 4.581 6.542) 9.384 5.857 ( -4.594 7.269 -2.874) 9.067 5.857 ( -4.594 7.269 2.874) 9.067 6.084 ( 1.776 0.660 -2.753) 3.342 6.084 ( 1.776 0.660 2.753) 3.342 6.512 ( -5.915 -16.736 -8.942) 19.876 6.512 ( -5.915 -16.736 8.942) 19.876 6.879 ( 5.966 -3.933 -6.145) 9.424 6.879 ( 5.966 -3.933 6.145) 9.424 7.422 ( -4.668 12.288 -15.526) 20.343 7.422 ( -4.668 12.288 15.526) 20.343 7.874 ( -7.586 -7.065 -11.715) 15.643 7.874 ( -7.586 -7.065 11.715) 15.643 8.402 ( 6.506 -0.848 -2.783) 7.127 8.402 ( 6.506 -0.848 2.783) 7.127 8.873 ( -4.026 -2.697 -4.376) 6.529 8.873 ( -4.026 -2.697 4.376) 6.529 9.449 ( 5.578 6.189 -0.957) 8.387 9.449 ( 5.578 6.189 0.957) 8.387 10.036 ( -1.047 -2.662 -5.581) 6.272 10.036 ( -1.047 -2.662 5.581) 6.272 10.257 ( -8.461 -5.569 -6.192) 11.872 10.257 ( -8.461 -5.569 6.192) 11.872 11.619 ( 7.532 5.068 -4.895) 10.313 11.619 ( 7.532 5.068 4.895) 10.313 12.870 ( -4.926 -6.531 -3.582) 8.930 12.870 ( -4.926 -6.531 3.582) 8.930 22.059 ( 3.818 0.983 -8.163) 9.065 22.059 ( 3.818 0.983 8.163) 9.065 22.495 ( -2.427 3.874 -1.328) 4.760 22.495 ( -2.427 3.874 1.328) 4.760 23.161 ( 0.480 0.574 -7.566) 7.602 23.161 ( 0.480 0.574 7.566) 7.602======================= Grid point 395 (125/126) =======================q-point: (-0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( 0.000 2.490 -4.052) 4.756 3.688 ( 0.000 2.490 4.052) 4.756 4.426 ( 0.000 8.807 -16.346) 18.567 4.426 ( 0.000 8.806 16.346) 18.567 4.819 ( 0.000 18.255 -9.614) 20.632 4.819 ( 0.000 18.255 9.614) 20.632 5.421 ( -0.000 -2.705 -9.855) 10.220 5.421 ( -0.000 -2.705 9.855) 10.220 5.503 ( 0.000 22.482 -11.459) 25.234 5.503 ( 0.000 22.482 11.459) 25.234 5.714 ( -0.000 -1.801 -4.813) 5.139 5.714 ( -0.000 -1.801 4.813) 5.139 6.178 ( -0.000 -5.180 -3.533) 6.270 6.178 ( -0.000 -5.180 3.533) 6.270 6.640 ( -0.000 -13.531 -7.240) 15.346 6.640 ( -0.000 -13.531 7.240) 15.346 7.062 ( -0.000 -12.177 -6.313) 13.717 7.062 ( -0.000 -12.177 6.313) 13.717 7.177 ( 0.000 17.188 -21.107) 27.220 7.177 ( 0.000 17.188 21.107) 27.220 7.886 ( -0.000 -4.058 -14.163) 14.733 7.886 ( -0.000 -4.058 14.164) 14.733 8.467 ( -0.000 -1.309 -3.902) 4.116 8.467 ( -0.000 -1.309 3.902) 4.116 8.881 ( -0.000 -4.415 -4.959) 6.640 8.881 ( -0.000 -4.415 4.959) 6.640 9.412 ( 0.000 6.991 -1.904) 7.245 9.412 ( 0.000 6.991 1.904) 7.245 9.961 ( 0.000 5.062 -4.429) 6.726 9.961 ( 0.000 5.062 4.429) 6.726 10.388 ( -0.000 -16.744 -9.712) 19.357 10.388 ( -0.000 -16.744 9.712) 19.357 11.584 ( 0.000 9.334 -5.001) 10.589 11.584 ( 0.000 9.334 5.001) 10.589 12.954 ( -0.000 -12.508 -4.199) 13.194 12.954 ( -0.000 -12.508 4.199) 13.194 22.071 ( 0.000 1.955 -8.846) 9.060 22.071 ( 0.000 1.955 8.846) 9.060 22.403 ( 0.000 7.237 -0.984) 7.303 22.403 ( 0.000 7.237 0.984) 7.303 23.151 ( 0.000 1.647 -6.428) 6.636 23.151 ( 0.000 1.647 6.428) 6.636======================= Grid point 411 (126/126) =======================q-point: (-0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 9.55e-07 9.55e-07 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.715 ( -0.000 -0.000 -2.026) 2.026 3.715 ( -0.000 -0.000 2.026) 2.026 4.522 ( -0.000 -0.000 -9.098) 9.098 4.522 ( -0.000 -0.000 9.098) 9.098 5.063 ( -0.000 -0.000 -10.460) 10.460 5.063 ( -0.000 -0.000 10.460) 10.460 5.417 ( 0.000 0.000 -9.159) 9.159 5.417 ( 0.000 0.000 9.160) 9.160 5.694 ( -0.000 -0.000 -1.536) 1.536 5.694 ( -0.000 -0.000 1.536) 1.536 5.949 ( 0.000 0.001 -4.994) 4.994 5.949 ( 0.000 0.001 4.994) 4.994 6.091 ( -0.000 -0.000 -3.363) 3.363 6.091 ( -0.000 -0.000 3.363) 3.363 6.308 ( -0.000 -0.001 -2.208) 2.208 6.308 ( -0.000 -0.001 2.208) 2.208 6.902 ( -0.000 -0.000 -7.405) 7.405 6.902 ( -0.000 -0.000 7.405) 7.405 7.490 ( 0.000 0.000 -13.078) 13.078 7.490 ( 0.000 0.000 13.078) 13.078 7.736 ( -0.000 -0.000 -12.367) 12.367 7.736 ( -0.000 -0.000 12.367) 12.367 8.462 ( -0.000 -0.000 -1.200) 1.200 8.462 ( -0.000 -0.000 1.200) 1.200 8.822 ( -0.000 -0.001 -5.073) 5.073 8.822 ( -0.000 -0.001 5.073) 5.073 9.547 ( -0.000 -0.000 -0.981) 0.981 9.547 ( -0.000 -0.000 0.981) 0.981 10.031 ( -0.000 -0.000 -4.206) 4.206 10.031 ( -0.000 -0.000 4.206) 4.206 10.117 ( -0.000 -0.000 -3.876) 3.876 10.117 ( -0.000 -0.000 3.876) 3.876 11.709 ( -0.000 -0.000 -5.202) 5.202 11.709 ( -0.000 -0.000 5.202) 5.202 12.789 ( -0.000 -0.000 -3.829) 3.829 12.789 ( -0.000 -0.000 3.829) 3.829 22.096 ( -0.000 -0.000 -9.154) 9.154 22.096 ( -0.000 -0.000 9.154) 9.154 22.501 ( -0.000 -0.001 -1.354) 1.354 22.501 ( -0.000 -0.001 1.354) 1.354 23.167 ( -0.000 -0.000 -7.554) 7.554 23.167 ( -0.000 -0.000 7.554) 7.554=================== 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 3/26880 10.0 2836.948 2449.101 3018.740 0.000 0.000 -0.000 3/26880 20.0 1500.483 1518.074 1616.871 0.000 0.000 -0.000 3/26880 30.0 435.395 466.872 491.631 0.000 0.000 0.000 3/26880 40.0 179.277 194.622 211.672 0.000 0.000 0.000 3/26880 50.0 96.613 104.786 116.092 0.000 0.000 0.000 3/26880 60.0 61.716 66.776 74.716 0.000 0.000 0.000 3/26880 70.0 43.987 47.538 53.552 0.000 0.000 0.000 3/26880 80.0 33.738 36.469 41.336 0.000 0.000 0.000 3/26880 90.0 27.232 29.471 33.615 0.000 0.000 0.000 3/26880 100.0 22.804 24.722 28.379 0.000 0.000 0.000 3/26880 110.0 19.624 21.318 24.624 0.000 0.000 0.000 3/26880 120.0 17.241 18.769 21.810 0.000 0.000 0.000 3/26880 130.0 15.394 16.792 19.624 0.000 0.000 0.000 3/26880 140.0 13.922 15.216 17.875 0.000 0.000 0.000 3/26880 150.0 12.721 13.929 16.442 0.000 0.000 0.000 3/26880 160.0 11.723 12.856 15.246 0.000 0.000 0.000 3/26880 170.0 10.881 11.949 14.229 0.000 0.000 0.000 3/26880 180.0 10.159 11.170 13.355 0.000 0.000 0.000 3/26880 190.0 9.533 10.493 12.593 0.000 0.000 0.000 3/26880 200.0 8.985 9.899 11.922 0.000 0.000 0.000 3/26880 210.0 8.501 9.374 11.328 0.000 0.000 0.000 3/26880 220.0 8.070 8.904 10.796 0.000 0.000 0.000 3/26880 230.0 7.683 8.483 10.317 0.000 0.000 0.000 3/26880 240.0 7.334 8.101 9.883 0.000 0.000 0.000 3/26880 250.0 7.018 7.755 9.487 0.000 0.000 0.000 3/26880 260.0 6.729 7.438 9.125 0.000 0.000 0.000 3/26880 270.0 6.464 7.148 8.793 0.000 0.000 0.000 3/26880 280.0 6.221 6.881 8.486 0.000 0.000 0.000 3/26880 290.0 5.996 6.633 8.201 0.000 0.000 0.000 3/26880 300.0 5.788 6.404 7.936 0.000 0.000 0.000 3/26880 310.0 5.595 6.191 7.689 0.000 0.000 0.000 3/26880 320.0 5.414 5.992 7.458 0.000 0.000 0.000 3/26880 330.0 5.246 5.805 7.242 0.000 0.000 0.000 3/26880 340.0 5.088 5.631 7.038 0.000 0.000 0.000 3/26880 350.0 4.939 5.467 6.846 0.000 0.000 0.000 3/26880 360.0 4.800 5.312 6.665 0.000 0.000 0.000 3/26880 370.0 4.668 5.167 6.494 0.000 0.000 0.000 3/26880 380.0 4.543 5.029 6.331 0.000 0.000 0.000 3/26880 390.0 4.426 4.898 6.177 0.000 0.000 0.000 3/26880 400.0 4.314 4.775 6.031 0.000 0.000 0.000 3/26880 410.0 4.208 4.657 5.891 0.000 0.000 0.000 3/26880 420.0 4.107 4.546 5.758 0.000 0.000 0.000 3/26880 430.0 4.011 4.439 5.631 0.000 0.000 0.000 3/26880 440.0 3.920 4.338 5.509 0.000 0.000 0.000 3/26880 450.0 3.832 4.241 5.393 0.000 0.000 0.000 3/26880 460.0 3.749 4.149 5.282 0.000 0.000 0.000 3/26880 470.0 3.669 4.060 5.175 0.000 0.000 0.000 3/26880 480.0 3.593 3.975 5.073 0.000 0.000 0.000 3/26880 490.0 3.520 3.894 4.974 0.000 0.000 0.000 3/26880 500.0 3.449 3.816 4.880 0.000 0.000 0.000 3/26880 510.0 3.382 3.742 4.788 0.000 0.000 0.000 3/26880 520.0 3.317 3.670 4.701 0.000 0.000 0.000 3/26880 530.0 3.255 3.600 4.616 0.000 0.000 0.000 3/26880 540.0 3.195 3.534 4.535 0.000 0.000 0.000 3/26880 550.0 3.137 3.470 4.456 0.000 0.000 0.000 3/26880 560.0 3.081 3.408 4.380 0.000 0.000 0.000 3/26880 570.0 3.027 3.348 4.307 0.000 0.000 0.000 3/26880 580.0 2.975 3.291 4.236 0.000 0.000 0.000 3/26880 590.0 2.925 3.235 4.167 0.000 0.000 0.000 3/26880 600.0 2.876 3.181 4.100 0.000 0.000 0.000 3/26880 610.0 2.830 3.129 4.036 0.000 0.000 0.000 3/26880 620.0 2.784 3.079 3.973 0.000 0.000 0.000 3/26880 630.0 2.740 3.030 3.913 0.000 0.000 0.000 3/26880 640.0 2.698 2.983 3.854 0.000 0.000 0.000 3/26880 650.0 2.656 2.937 3.797 0.000 0.000 0.000 3/26880 660.0 2.616 2.893 3.742 0.000 0.000 0.000 3/26880 670.0 2.578 2.850 3.688 0.000 0.000 0.000 3/26880 680.0 2.540 2.808 3.636 0.000 0.000 0.000 3/26880 690.0 2.503 2.768 3.585 0.000 0.000 0.000 3/26880 700.0 2.468 2.728 3.536 0.000 0.000 0.000 3/26880 710.0 2.433 2.690 3.488 0.000 0.000 0.000 3/26880 720.0 2.400 2.653 3.441 0.000 0.000 0.000 3/26880 730.0 2.367 2.617 3.395 0.000 0.000 0.000 3/26880 740.0 2.335 2.581 3.351 0.000 0.000 0.000 3/26880 750.0 2.304 2.547 3.308 0.000 0.000 0.000 3/26880 760.0 2.274 2.514 3.266 0.000 0.000 0.000 3/26880 770.0 2.245 2.481 3.225 0.000 0.000 0.000 3/26880 780.0 2.216 2.450 3.184 0.000 0.000 0.000 3/26880 790.0 2.188 2.419 3.145 0.000 0.000 0.000 3/26880 800.0 2.161 2.389 3.107 0.000 0.000 0.000 3/26880 810.0 2.135 2.359 3.070 0.000 0.000 0.000 3/26880 820.0 2.109 2.331 3.034 0.000 0.000 0.000 3/26880 830.0 2.084 2.303 2.998 0.000 0.000 0.000 3/26880 840.0 2.059 2.275 2.963 0.000 0.000 0.000 3/26880 850.0 2.035 2.249 2.930 0.000 0.000 0.000 3/26880 860.0 2.011 2.223 2.896 0.000 0.000 0.000 3/26880 870.0 1.988 2.197 2.864 0.000 0.000 0.000 3/26880 880.0 1.966 2.172 2.832 0.000 0.000 0.000 3/26880 890.0 1.944 2.148 2.801 0.000 0.000 0.000 3/26880 900.0 1.922 2.124 2.771 0.000 0.000 0.000 3/26880 910.0 1.901 2.101 2.741 0.000 0.000 0.000 3/26880 920.0 1.881 2.078 2.712 0.000 0.000 0.000 3/26880 930.0 1.861 2.056 2.684 0.000 0.000 0.000 3/26880 940.0 1.841 2.034 2.656 0.000 0.000 0.000 3/26880 950.0 1.822 2.013 2.629 0.000 0.000 0.000 3/26880 960.0 1.803 1.992 2.602 0.000 0.000 0.000 3/26880 970.0 1.784 1.972 2.576 0.000 0.000 0.000 3/26880 980.0 1.766 1.952 2.550 0.000 0.000 0.000 3/26880 990.0 1.749 1.932 2.525 0.000 0.000 0.000 3/26880 1000.0 1.731 1.913 2.500 0.000 0.000 0.000 3/26880Thermal conductivity related properties were written into "kappa-m8810.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|