# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/45f4f0cf-06fa-4ae4-aa3b-4386e3039cb7/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 K3GeSe3 / C2/m (12) / materials id 14435](https://mdr.nims.go.jp/datasets/d39669e8-8fef-49b7-9abe-9d8ab8789bd9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:37:04]-------------------------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: C2/m (12)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 4.516632430979516 -6.428474514999999 0.000000000000000 b 4.516632430979516 6.428474514999999 0.000000000000000 c -3.735866865519338 0.000000000000000 7.524345627134291Atomic positions (fractional): *1 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 *3 K 0.79025816918681 0.79025816918681 0.31935014541200 39.098 4 K 0.20974183081319 0.20974183081319 0.68064985458800 39.098 *5 K 0.66132251737314 0.33867748262686 0.50000000000000 39.098 6 K 0.33867748262686 0.66132251737314 0.50000000000000 39.098 *7 Ge 0.88333055087648 0.88333055087648 0.84861068608030 72.640 8 Ge 0.11666944912352 0.11666944912352 0.15138931391970 72.640 *9 Se 0.62933139850051 0.62933139850051 0.86965883631108 78.960 10 Se 0.37066860149949 0.37066860149949 0.13034116368892 78.960 *11 Se 0.74988737764716 0.05147449853645 0.69625517750139 78.960 12 Se 0.94852550146355 0.25011262235284 0.30374482249861 78.960 13 Se 0.25011262235284 0.94852550146355 0.30374482249861 78.960 14 Se 0.05147449853645 0.74988737764716 0.69625517750139 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.033264861959031 0.000000000000000 0.000000000000000 b 0.000000000000000 12.856949029999997 0.000000000000000 c -3.735866865519338 0.000000000000000 7.524345627134291Atomic positions (fractional): *1 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 1 2 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 2 *3 K 0.79025816918681 0.00000000000000 0.31935014541200 39.098 > 3 4 K 0.20974183081319 0.00000000000000 0.68064985458800 39.098 > 4 *5 K 0.50000000000000 0.83867748262686 0.50000000000000 39.098 > 5 6 K 0.50000000000000 0.16132251737314 0.50000000000000 39.098 > 6 7 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 1 8 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 2 9 K 0.29025816918681 0.50000000000000 0.31935014541200 39.098 > 3 10 K 0.70974183081319 0.50000000000000 0.68064985458800 39.098 > 4 11 K 0.00000000000000 0.33867748262686 0.50000000000000 39.098 > 5 12 K 0.00000000000000 0.66132251737314 0.50000000000000 39.098 > 6 *13 Ge 0.88333055087648 0.00000000000000 0.84861068608030 72.640 > 7 14 Ge 0.11666944912352 0.00000000000000 0.15138931391970 72.640 > 8 15 Ge 0.38333055087648 0.50000000000000 0.84861068608030 72.640 > 7 16 Ge 0.61666944912352 0.50000000000000 0.15138931391970 72.640 > 8 *17 Se 0.62933139850051 0.00000000000000 0.86965883631108 78.960 > 9 18 Se 0.37066860149949 0.00000000000000 0.13034116368892 78.960 > 10 *19 Se 0.40068093809180 0.65079356044464 0.69625517750139 78.960 > 11 20 Se 0.59931906190820 0.65079356044464 0.30374482249861 78.960 > 12 21 Se 0.59931906190820 0.34920643955536 0.30374482249861 78.960 > 13 22 Se 0.40068093809180 0.34920643955536 0.69625517750139 78.960 > 14 23 Se 0.12933139850051 0.50000000000000 0.86965883631108 78.960 > 9 24 Se 0.87066860149949 0.50000000000000 0.13034116368892 78.960 > 10 25 Se 0.90068093809180 0.15079356044464 0.69625517750139 78.960 > 11 26 Se 0.09931906190820 0.15079356044464 0.30374482249861 78.960 > 12 27 Se 0.09931906190820 0.84920643955536 0.30374482249861 78.960 > 13 28 Se 0.90068093809180 0.84920643955536 0.69625517750139 78.960 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 18.066529723918062 0.000000000000000 0.000000000000000 b 0.000000000000000 12.856949029999997 0.000000000000000 c -7.471733731038676 0.000000000000000 15.048691254268581Atomic positions (fractional): *1 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 1 2 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 1 3 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 1 4 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 1 5 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 2 6 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 2 7 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 2 8 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 2 *9 K 0.39512908459340 0.00000000000000 0.15967507270600 39.098 > 3 10 K 0.89512908459340 0.00000000000000 0.15967507270600 39.098 > 3 11 K 0.39512908459340 0.00000000000000 0.65967507270600 39.098 > 3 12 K 0.89512908459340 0.00000000000000 0.65967507270600 39.098 > 3 13 K 0.10487091540660 0.00000000000000 0.34032492729400 39.098 > 4 14 K 0.60487091540660 0.00000000000000 0.34032492729400 39.098 > 4 15 K 0.10487091540660 0.00000000000000 0.84032492729400 39.098 > 4 16 K 0.60487091540660 0.00000000000000 0.84032492729400 39.098 > 4 *17 K 0.25000000000000 0.83867748262686 0.25000000000000 39.098 > 5 18 K 0.75000000000000 0.83867748262686 0.25000000000000 39.098 > 5 19 K 0.25000000000000 0.83867748262686 0.75000000000000 39.098 > 5 20 K 0.75000000000000 0.83867748262686 0.75000000000000 39.098 > 5 21 K 0.25000000000000 0.16132251737314 0.25000000000000 39.098 > 6 22 K 0.75000000000000 0.16132251737314 0.25000000000000 39.098 > 6 23 K 0.25000000000000 0.16132251737314 0.75000000000000 39.098 > 6 24 K 0.75000000000000 0.16132251737314 0.75000000000000 39.098 > 6 25 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 1 26 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 1 27 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 1 28 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 1 29 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 2 30 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 2 31 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 2 32 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 2 33 K 0.14512908459340 0.50000000000000 0.15967507270600 39.098 > 3 34 K 0.64512908459340 0.50000000000000 0.15967507270600 39.098 > 3 35 K 0.14512908459340 0.50000000000000 0.65967507270600 39.098 > 3 36 K 0.64512908459340 0.50000000000000 0.65967507270600 39.098 > 3 37 K 0.35487091540660 0.50000000000000 0.34032492729400 39.098 > 4 38 K 0.85487091540660 0.50000000000000 0.34032492729400 39.098 > 4 39 K 0.35487091540660 0.50000000000000 0.84032492729400 39.098 > 4 40 K 0.85487091540660 0.50000000000000 0.84032492729400 39.098 > 4 41 K 0.00000000000000 0.33867748262686 0.25000000000000 39.098 > 5 42 K 0.50000000000000 0.33867748262686 0.25000000000000 39.098 > 5 43 K 0.00000000000000 0.33867748262686 0.75000000000000 39.098 > 5 44 K 0.50000000000000 0.33867748262686 0.75000000000000 39.098 > 5 45 K 0.00000000000000 0.66132251737314 0.25000000000000 39.098 > 6 46 K 0.50000000000000 0.66132251737314 0.25000000000000 39.098 > 6 47 K 0.00000000000000 0.66132251737314 0.75000000000000 39.098 > 6 48 K 0.50000000000000 0.66132251737314 0.75000000000000 39.098 > 6 *49 Ge 0.44166527543824 0.00000000000000 0.42430534304015 72.640 > 7 50 Ge 0.94166527543824 0.00000000000000 0.42430534304015 72.640 > 7 51 Ge 0.44166527543824 0.00000000000000 0.92430534304015 72.640 > 7 52 Ge 0.94166527543824 0.00000000000000 0.92430534304015 72.640 > 7 53 Ge 0.05833472456176 0.00000000000000 0.07569465695985 72.640 > 8 54 Ge 0.55833472456176 0.00000000000000 0.07569465695985 72.640 > 8 55 Ge 0.05833472456176 0.00000000000000 0.57569465695985 72.640 > 8 56 Ge 0.55833472456176 0.00000000000000 0.57569465695985 72.640 > 8 57 Ge 0.19166527543824 0.50000000000000 0.42430534304015 72.640 > 7 58 Ge 0.69166527543824 0.50000000000000 0.42430534304015 72.640 > 7 59 Ge 0.19166527543824 0.50000000000000 0.92430534304015 72.640 > 7 60 Ge 0.69166527543824 0.50000000000000 0.92430534304015 72.640 > 7 61 Ge 0.30833472456176 0.50000000000000 0.07569465695985 72.640 > 8 62 Ge 0.80833472456176 0.50000000000000 0.07569465695985 72.640 > 8 63 Ge 0.30833472456176 0.50000000000000 0.57569465695985 72.640 > 8 64 Ge 0.80833472456176 0.50000000000000 0.57569465695985 72.640 > 8 *65 Se 0.31466569925025 0.00000000000000 0.43482941815554 78.960 > 9 66 Se 0.81466569925025 0.00000000000000 0.43482941815554 78.960 > 9 67 Se 0.31466569925025 0.00000000000000 0.93482941815554 78.960 > 9 68 Se 0.81466569925025 0.00000000000000 0.93482941815554 78.960 > 9 69 Se 0.18533430074975 0.00000000000000 0.06517058184446 78.960 > 10 70 Se 0.68533430074975 0.00000000000000 0.06517058184446 78.960 > 10 71 Se 0.18533430074975 0.00000000000000 0.56517058184446 78.960 > 10 72 Se 0.68533430074975 0.00000000000000 0.56517058184446 78.960 > 10 *73 Se 0.20034046904590 0.65079356044464 0.34812758875069 78.960 > 11 74 Se 0.70034046904590 0.65079356044464 0.34812758875069 78.960 > 11 75 Se 0.20034046904590 0.65079356044464 0.84812758875069 78.960 > 11 76 Se 0.70034046904590 0.65079356044464 0.84812758875069 78.960 > 11 77 Se 0.29965953095410 0.65079356044464 0.15187241124931 78.960 > 12 78 Se 0.79965953095410 0.65079356044464 0.15187241124931 78.960 > 12 79 Se 0.29965953095410 0.65079356044464 0.65187241124931 78.960 > 12 80 Se 0.79965953095410 0.65079356044464 0.65187241124931 78.960 > 12 81 Se 0.29965953095410 0.34920643955536 0.15187241124931 78.960 > 13 82 Se 0.79965953095410 0.34920643955536 0.15187241124931 78.960 > 13 83 Se 0.29965953095410 0.34920643955536 0.65187241124931 78.960 > 13 84 Se 0.79965953095410 0.34920643955536 0.65187241124931 78.960 > 13 85 Se 0.20034046904590 0.34920643955536 0.34812758875069 78.960 > 14 86 Se 0.70034046904590 0.34920643955536 0.34812758875069 78.960 > 14 87 Se 0.20034046904590 0.34920643955536 0.84812758875069 78.960 > 14 88 Se 0.70034046904590 0.34920643955536 0.84812758875069 78.960 > 14 89 Se 0.06466569925025 0.50000000000000 0.43482941815554 78.960 > 9 90 Se 0.56466569925025 0.50000000000000 0.43482941815554 78.960 > 9 91 Se 0.06466569925025 0.50000000000000 0.93482941815554 78.960 > 9 92 Se 0.56466569925025 0.50000000000000 0.93482941815554 78.960 > 9 93 Se 0.43533430074975 0.50000000000000 0.06517058184446 78.960 > 10 94 Se 0.93533430074975 0.50000000000000 0.06517058184446 78.960 > 10 95 Se 0.43533430074975 0.50000000000000 0.56517058184446 78.960 > 10 96 Se 0.93533430074975 0.50000000000000 0.56517058184446 78.960 > 10 97 Se 0.45034046904590 0.15079356044464 0.34812758875069 78.960 > 11 98 Se 0.95034046904590 0.15079356044464 0.34812758875069 78.960 > 11 99 Se 0.45034046904590 0.15079356044464 0.84812758875069 78.960 > 11 100 Se 0.95034046904590 0.15079356044464 0.84812758875069 78.960 > 11 101 Se 0.04965953095410 0.15079356044464 0.15187241124931 78.960 > 12 102 Se 0.54965953095410 0.15079356044464 0.15187241124931 78.960 > 12 103 Se 0.04965953095410 0.15079356044464 0.65187241124931 78.960 > 12 104 Se 0.54965953095410 0.15079356044464 0.65187241124931 78.960 > 12 105 Se 0.04965953095410 0.84920643955536 0.15187241124931 78.960 > 13 106 Se 0.54965953095410 0.84920643955536 0.15187241124931 78.960 > 13 107 Se 0.04965953095410 0.84920643955536 0.65187241124931 78.960 > 13 108 Se 0.54965953095410 0.84920643955536 0.65187241124931 78.960 > 13 109 Se 0.45034046904590 0.84920643955536 0.34812758875069 78.960 > 14 110 Se 0.95034046904590 0.84920643955536 0.34812758875069 78.960 > 14 111 Se 0.45034046904590 0.84920643955536 0.84812758875069 78.960 > 14 112 Se 0.95034046904590 0.84920643955536 0.84812758875069 78.960 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5773271 0.0000000 -0.0561287 0.0000000 4.4509059 0.0000000 -0.0561278 0.0000000 4.6431057-------------------------- Born effective charges -------------------------- 1 K 1.0651815 0.3643983 0.0165768 0.4221089 1.3715936 -0.0169327 -0.0229374 -0.1059088 0.8957460 2 K 1.0651815 -0.3643983 0.0165768 -0.4221089 1.3715936 0.0169327 -0.0229374 0.1059088 0.8957460 3 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 4 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 5 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 6 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 7 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 8 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 9 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 10 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 11 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 12 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902 13 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 14 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902----------------------------------------------------------------------------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: 1946Number of blocks in projector: 1946Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 472Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 278Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 278Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 278Use standard eigh solver.Tree of FC basis block matrices:- (1946, 1909), data: False|-- (278, 272), data: True|-- (278, 272), data: True|-- (278, 272), data: True|-- (320, 316), data: True|-- (320, 316), data: True|-- (472, 461), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 3.518Solver_block: 200 / 480 - Time: 3.322Solver_block: 300 / 480 - Time: 3.280Solver_block: 400 / 480 - Time: 3.321Solver_block: 480 / 480 - Time: 2.876Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.460--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336Permutation basis: 8592/8592Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1946Number of blocks in projector: 1946Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 472Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 278Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 278Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 278Use standard eigh solver.Tree of FC basis block matrices:- (1946, 1909), data: False|-- (278, 272), data: True|-- (278, 272), data: True|-- (278, 272), data: True|-- (320, 316), data: True|-- (320, 316), data: True|-- (472, 461), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 00:37:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:37:51]-------------------------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: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.516632430979516 -6.428474514999999 0.000000000000000 b 4.516632430979516 6.428474514999999 0.000000000000000 c -3.735866865519338 0.000000000000000 7.524345627134291Atomic positions (fractional): 1 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 3 K 0.79025816918681 0.79025816918681 0.31935014541200 39.098 4 K 0.20974183081319 0.20974183081319 0.68064985458800 39.098 5 K 0.66132251737314 0.33867748262686 0.50000000000000 39.098 6 K 0.33867748262686 0.66132251737314 0.50000000000000 39.098 7 Ge 0.88333055087648 0.88333055087648 0.84861068608030 72.640 8 Ge 0.11666944912352 0.11666944912352 0.15138931391970 72.640 9 Se 0.62933139850051 0.62933139850051 0.86965883631108 78.960 10 Se 0.37066860149949 0.37066860149949 0.13034116368892 78.960 11 Se 0.74988737764716 0.05147449853645 0.69625517750139 78.960 12 Se 0.94852550146355 0.25011262235284 0.30374482249861 78.960 13 Se 0.25011262235284 0.94852550146355 0.30374482249861 78.960 14 Se 0.05147449853645 0.74988737764716 0.69625517750139 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 18.066529723918062 0.000000000000000 0.000000000000000 b 0.000000000000000 12.856949029999997 0.000000000000000 c -7.471733731038676 0.000000000000000 15.048691254268581Atomic positions (fractional): 1 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 1 2 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 1 3 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 1 4 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 1 5 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 5 6 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 5 7 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 5 8 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 5 9 K 0.39512908459340 0.00000000000000 0.15967507270600 39.098 > 9 10 K 0.89512908459340 0.00000000000000 0.15967507270600 39.098 > 9 11 K 0.39512908459340 0.00000000000000 0.65967507270600 39.098 > 9 12 K 0.89512908459340 0.00000000000000 0.65967507270600 39.098 > 9 13 K 0.10487091540660 0.00000000000000 0.34032492729400 39.098 > 13 14 K 0.60487091540660 0.00000000000000 0.34032492729400 39.098 > 13 15 K 0.10487091540660 0.00000000000000 0.84032492729400 39.098 > 13 16 K 0.60487091540660 0.00000000000000 0.84032492729400 39.098 > 13 17 K 0.25000000000000 0.83867748262686 0.25000000000000 39.098 > 17 18 K 0.75000000000000 0.83867748262686 0.25000000000000 39.098 > 17 19 K 0.25000000000000 0.83867748262686 0.75000000000000 39.098 > 17 20 K 0.75000000000000 0.83867748262686 0.75000000000000 39.098 > 17 21 K 0.25000000000000 0.16132251737314 0.25000000000000 39.098 > 21 22 K 0.75000000000000 0.16132251737314 0.25000000000000 39.098 > 21 23 K 0.25000000000000 0.16132251737314 0.75000000000000 39.098 > 21 24 K 0.75000000000000 0.16132251737314 0.75000000000000 39.098 > 21 25 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 1 26 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 1 27 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 1 28 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 1 29 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 5 30 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 5 31 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 5 32 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 5 33 K 0.14512908459340 0.50000000000000 0.15967507270600 39.098 > 9 34 K 0.64512908459340 0.50000000000000 0.15967507270600 39.098 > 9 35 K 0.14512908459340 0.50000000000000 0.65967507270600 39.098 > 9 36 K 0.64512908459340 0.50000000000000 0.65967507270600 39.098 > 9 37 K 0.35487091540660 0.50000000000000 0.34032492729400 39.098 > 13 38 K 0.85487091540660 0.50000000000000 0.34032492729400 39.098 > 13 39 K 0.35487091540660 0.50000000000000 0.84032492729400 39.098 > 13 40 K 0.85487091540660 0.50000000000000 0.84032492729400 39.098 > 13 41 K 0.00000000000000 0.33867748262686 0.25000000000000 39.098 > 17 42 K 0.50000000000000 0.33867748262686 0.25000000000000 39.098 > 17 43 K 0.00000000000000 0.33867748262686 0.75000000000000 39.098 > 17 44 K 0.50000000000000 0.33867748262686 0.75000000000000 39.098 > 17 45 K 0.00000000000000 0.66132251737314 0.25000000000000 39.098 > 21 46 K 0.50000000000000 0.66132251737314 0.25000000000000 39.098 > 21 47 K 0.00000000000000 0.66132251737314 0.75000000000000 39.098 > 21 48 K 0.50000000000000 0.66132251737314 0.75000000000000 39.098 > 21 49 Ge 0.44166527543824 0.00000000000000 0.42430534304015 72.640 > 49 50 Ge 0.94166527543824 0.00000000000000 0.42430534304015 72.640 > 49 51 Ge 0.44166527543824 0.00000000000000 0.92430534304015 72.640 > 49 52 Ge 0.94166527543824 0.00000000000000 0.92430534304015 72.640 > 49 53 Ge 0.05833472456176 0.00000000000000 0.07569465695985 72.640 > 53 54 Ge 0.55833472456176 0.00000000000000 0.07569465695985 72.640 > 53 55 Ge 0.05833472456176 0.00000000000000 0.57569465695985 72.640 > 53 56 Ge 0.55833472456176 0.00000000000000 0.57569465695985 72.640 > 53 57 Ge 0.19166527543824 0.50000000000000 0.42430534304015 72.640 > 49 58 Ge 0.69166527543824 0.50000000000000 0.42430534304015 72.640 > 49 59 Ge 0.19166527543824 0.50000000000000 0.92430534304015 72.640 > 49 60 Ge 0.69166527543824 0.50000000000000 0.92430534304015 72.640 > 49 61 Ge 0.30833472456176 0.50000000000000 0.07569465695985 72.640 > 53 62 Ge 0.80833472456176 0.50000000000000 0.07569465695985 72.640 > 53 63 Ge 0.30833472456176 0.50000000000000 0.57569465695985 72.640 > 53 64 Ge 0.80833472456176 0.50000000000000 0.57569465695985 72.640 > 53 65 Se 0.31466569925025 0.00000000000000 0.43482941815554 78.960 > 65 66 Se 0.81466569925025 0.00000000000000 0.43482941815554 78.960 > 65 67 Se 0.31466569925025 0.00000000000000 0.93482941815554 78.960 > 65 68 Se 0.81466569925025 0.00000000000000 0.93482941815554 78.960 > 65 69 Se 0.18533430074975 0.00000000000000 0.06517058184446 78.960 > 69 70 Se 0.68533430074975 0.00000000000000 0.06517058184446 78.960 > 69 71 Se 0.18533430074975 0.00000000000000 0.56517058184446 78.960 > 69 72 Se 0.68533430074975 0.00000000000000 0.56517058184446 78.960 > 69 73 Se 0.20034046904590 0.65079356044464 0.34812758875069 78.960 > 73 74 Se 0.70034046904590 0.65079356044464 0.34812758875069 78.960 > 73 75 Se 0.20034046904590 0.65079356044464 0.84812758875069 78.960 > 73 76 Se 0.70034046904590 0.65079356044464 0.84812758875069 78.960 > 73 77 Se 0.29965953095410 0.65079356044464 0.15187241124931 78.960 > 77 78 Se 0.79965953095410 0.65079356044464 0.15187241124931 78.960 > 77 79 Se 0.29965953095410 0.65079356044464 0.65187241124931 78.960 > 77 80 Se 0.79965953095410 0.65079356044464 0.65187241124931 78.960 > 77 81 Se 0.29965953095410 0.34920643955536 0.15187241124931 78.960 > 81 82 Se 0.79965953095410 0.34920643955536 0.15187241124931 78.960 > 81 83 Se 0.29965953095410 0.34920643955536 0.65187241124931 78.960 > 81 84 Se 0.79965953095410 0.34920643955536 0.65187241124931 78.960 > 81 85 Se 0.20034046904590 0.34920643955536 0.34812758875069 78.960 > 85 86 Se 0.70034046904590 0.34920643955536 0.34812758875069 78.960 > 85 87 Se 0.20034046904590 0.34920643955536 0.84812758875069 78.960 > 85 88 Se 0.70034046904590 0.34920643955536 0.84812758875069 78.960 > 85 89 Se 0.06466569925025 0.50000000000000 0.43482941815554 78.960 > 65 90 Se 0.56466569925025 0.50000000000000 0.43482941815554 78.960 > 65 91 Se 0.06466569925025 0.50000000000000 0.93482941815554 78.960 > 65 92 Se 0.56466569925025 0.50000000000000 0.93482941815554 78.960 > 65 93 Se 0.43533430074975 0.50000000000000 0.06517058184446 78.960 > 69 94 Se 0.93533430074975 0.50000000000000 0.06517058184446 78.960 > 69 95 Se 0.43533430074975 0.50000000000000 0.56517058184446 78.960 > 69 96 Se 0.93533430074975 0.50000000000000 0.56517058184446 78.960 > 69 97 Se 0.45034046904590 0.15079356044464 0.34812758875069 78.960 > 73 98 Se 0.95034046904590 0.15079356044464 0.34812758875069 78.960 > 73 99 Se 0.45034046904590 0.15079356044464 0.84812758875069 78.960 > 73 100 Se 0.95034046904590 0.15079356044464 0.84812758875069 78.960 > 73 101 Se 0.04965953095410 0.15079356044464 0.15187241124931 78.960 > 77 102 Se 0.54965953095410 0.15079356044464 0.15187241124931 78.960 > 77 103 Se 0.04965953095410 0.15079356044464 0.65187241124931 78.960 > 77 104 Se 0.54965953095410 0.15079356044464 0.65187241124931 78.960 > 77 105 Se 0.04965953095410 0.84920643955536 0.15187241124931 78.960 > 81 106 Se 0.54965953095410 0.84920643955536 0.15187241124931 78.960 > 81 107 Se 0.04965953095410 0.84920643955536 0.65187241124931 78.960 > 81 108 Se 0.54965953095410 0.84920643955536 0.65187241124931 78.960 > 81 109 Se 0.45034046904590 0.84920643955536 0.34812758875069 78.960 > 85 110 Se 0.95034046904590 0.84920643955536 0.34812758875069 78.960 > 85 111 Se 0.45034046904590 0.84920643955536 0.84812758875069 78.960 > 85 112 Se 0.95034046904590 0.84920643955536 0.84812758875069 78.960 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5773271 0.0000000 -0.0561287 0.0000000 4.4509059 0.0000000 -0.0561278 0.0000000 4.6431057-------------------------- Born effective charges -------------------------- 1 K 1.0651815 0.3643983 0.0165768 0.4221089 1.3715936 -0.0169327 -0.0229374 -0.1059088 0.8957460 2 K 1.0651815 -0.3643983 0.0165768 -0.4221089 1.3715936 0.0169327 -0.0229374 0.1059088 0.8957460 3 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 4 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 5 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 6 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 7 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 8 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 9 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 10 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 11 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 12 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902 13 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 14 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902----------------------------------------------------------------------------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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]Computing fc3[ 17, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]Computing fc3[ 65, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (zxy) 0.00000001 (zxy) 0.00000001 (zyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000008 (xy) 0.00000008 (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 2026-01-08 00:38:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:38:15]-------------------------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: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.516632430979516 -6.428474514999999 0.000000000000000 b 4.516632430979516 6.428474514999999 0.000000000000000 c -3.735866865519338 0.000000000000000 7.524345627134291Atomic positions (fractional): 1 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 3 K 0.79025816918681 0.79025816918681 0.31935014541200 39.098 4 K 0.20974183081319 0.20974183081319 0.68064985458800 39.098 5 K 0.66132251737314 0.33867748262686 0.50000000000000 39.098 6 K 0.33867748262686 0.66132251737314 0.50000000000000 39.098 7 Ge 0.88333055087648 0.88333055087648 0.84861068608030 72.640 8 Ge 0.11666944912352 0.11666944912352 0.15138931391970 72.640 9 Se 0.62933139850051 0.62933139850051 0.86965883631108 78.960 10 Se 0.37066860149949 0.37066860149949 0.13034116368892 78.960 11 Se 0.74988737764716 0.05147449853645 0.69625517750139 78.960 12 Se 0.94852550146355 0.25011262235284 0.30374482249861 78.960 13 Se 0.25011262235284 0.94852550146355 0.30374482249861 78.960 14 Se 0.05147449853645 0.74988737764716 0.69625517750139 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 18.066529723918062 0.000000000000000 0.000000000000000 b 0.000000000000000 12.856949029999997 0.000000000000000 c -7.471733731038676 0.000000000000000 15.048691254268581Atomic positions (fractional): 1 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 1 2 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 1 3 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 1 4 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 1 5 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 5 6 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 5 7 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 5 8 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 5 9 K 0.39512908459340 0.00000000000000 0.15967507270600 39.098 > 9 10 K 0.89512908459340 0.00000000000000 0.15967507270600 39.098 > 9 11 K 0.39512908459340 0.00000000000000 0.65967507270600 39.098 > 9 12 K 0.89512908459340 0.00000000000000 0.65967507270600 39.098 > 9 13 K 0.10487091540660 0.00000000000000 0.34032492729400 39.098 > 13 14 K 0.60487091540660 0.00000000000000 0.34032492729400 39.098 > 13 15 K 0.10487091540660 0.00000000000000 0.84032492729400 39.098 > 13 16 K 0.60487091540660 0.00000000000000 0.84032492729400 39.098 > 13 17 K 0.25000000000000 0.83867748262686 0.25000000000000 39.098 > 17 18 K 0.75000000000000 0.83867748262686 0.25000000000000 39.098 > 17 19 K 0.25000000000000 0.83867748262686 0.75000000000000 39.098 > 17 20 K 0.75000000000000 0.83867748262686 0.75000000000000 39.098 > 17 21 K 0.25000000000000 0.16132251737314 0.25000000000000 39.098 > 21 22 K 0.75000000000000 0.16132251737314 0.25000000000000 39.098 > 21 23 K 0.25000000000000 0.16132251737314 0.75000000000000 39.098 > 21 24 K 0.75000000000000 0.16132251737314 0.75000000000000 39.098 > 21 25 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 1 26 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 1 27 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 1 28 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 1 29 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 5 30 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 5 31 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 5 32 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 5 33 K 0.14512908459340 0.50000000000000 0.15967507270600 39.098 > 9 34 K 0.64512908459340 0.50000000000000 0.15967507270600 39.098 > 9 35 K 0.14512908459340 0.50000000000000 0.65967507270600 39.098 > 9 36 K 0.64512908459340 0.50000000000000 0.65967507270600 39.098 > 9 37 K 0.35487091540660 0.50000000000000 0.34032492729400 39.098 > 13 38 K 0.85487091540660 0.50000000000000 0.34032492729400 39.098 > 13 39 K 0.35487091540660 0.50000000000000 0.84032492729400 39.098 > 13 40 K 0.85487091540660 0.50000000000000 0.84032492729400 39.098 > 13 41 K 0.00000000000000 0.33867748262686 0.25000000000000 39.098 > 17 42 K 0.50000000000000 0.33867748262686 0.25000000000000 39.098 > 17 43 K 0.00000000000000 0.33867748262686 0.75000000000000 39.098 > 17 44 K 0.50000000000000 0.33867748262686 0.75000000000000 39.098 > 17 45 K 0.00000000000000 0.66132251737314 0.25000000000000 39.098 > 21 46 K 0.50000000000000 0.66132251737314 0.25000000000000 39.098 > 21 47 K 0.00000000000000 0.66132251737314 0.75000000000000 39.098 > 21 48 K 0.50000000000000 0.66132251737314 0.75000000000000 39.098 > 21 49 Ge 0.44166527543824 0.00000000000000 0.42430534304015 72.640 > 49 50 Ge 0.94166527543824 0.00000000000000 0.42430534304015 72.640 > 49 51 Ge 0.44166527543824 0.00000000000000 0.92430534304015 72.640 > 49 52 Ge 0.94166527543824 0.00000000000000 0.92430534304015 72.640 > 49 53 Ge 0.05833472456176 0.00000000000000 0.07569465695985 72.640 > 53 54 Ge 0.55833472456176 0.00000000000000 0.07569465695985 72.640 > 53 55 Ge 0.05833472456176 0.00000000000000 0.57569465695985 72.640 > 53 56 Ge 0.55833472456176 0.00000000000000 0.57569465695985 72.640 > 53 57 Ge 0.19166527543824 0.50000000000000 0.42430534304015 72.640 > 49 58 Ge 0.69166527543824 0.50000000000000 0.42430534304015 72.640 > 49 59 Ge 0.19166527543824 0.50000000000000 0.92430534304015 72.640 > 49 60 Ge 0.69166527543824 0.50000000000000 0.92430534304015 72.640 > 49 61 Ge 0.30833472456176 0.50000000000000 0.07569465695985 72.640 > 53 62 Ge 0.80833472456176 0.50000000000000 0.07569465695985 72.640 > 53 63 Ge 0.30833472456176 0.50000000000000 0.57569465695985 72.640 > 53 64 Ge 0.80833472456176 0.50000000000000 0.57569465695985 72.640 > 53 65 Se 0.31466569925025 0.00000000000000 0.43482941815554 78.960 > 65 66 Se 0.81466569925025 0.00000000000000 0.43482941815554 78.960 > 65 67 Se 0.31466569925025 0.00000000000000 0.93482941815554 78.960 > 65 68 Se 0.81466569925025 0.00000000000000 0.93482941815554 78.960 > 65 69 Se 0.18533430074975 0.00000000000000 0.06517058184446 78.960 > 69 70 Se 0.68533430074975 0.00000000000000 0.06517058184446 78.960 > 69 71 Se 0.18533430074975 0.00000000000000 0.56517058184446 78.960 > 69 72 Se 0.68533430074975 0.00000000000000 0.56517058184446 78.960 > 69 73 Se 0.20034046904590 0.65079356044464 0.34812758875069 78.960 > 73 74 Se 0.70034046904590 0.65079356044464 0.34812758875069 78.960 > 73 75 Se 0.20034046904590 0.65079356044464 0.84812758875069 78.960 > 73 76 Se 0.70034046904590 0.65079356044464 0.84812758875069 78.960 > 73 77 Se 0.29965953095410 0.65079356044464 0.15187241124931 78.960 > 77 78 Se 0.79965953095410 0.65079356044464 0.15187241124931 78.960 > 77 79 Se 0.29965953095410 0.65079356044464 0.65187241124931 78.960 > 77 80 Se 0.79965953095410 0.65079356044464 0.65187241124931 78.960 > 77 81 Se 0.29965953095410 0.34920643955536 0.15187241124931 78.960 > 81 82 Se 0.79965953095410 0.34920643955536 0.15187241124931 78.960 > 81 83 Se 0.29965953095410 0.34920643955536 0.65187241124931 78.960 > 81 84 Se 0.79965953095410 0.34920643955536 0.65187241124931 78.960 > 81 85 Se 0.20034046904590 0.34920643955536 0.34812758875069 78.960 > 85 86 Se 0.70034046904590 0.34920643955536 0.34812758875069 78.960 > 85 87 Se 0.20034046904590 0.34920643955536 0.84812758875069 78.960 > 85 88 Se 0.70034046904590 0.34920643955536 0.84812758875069 78.960 > 85 89 Se 0.06466569925025 0.50000000000000 0.43482941815554 78.960 > 65 90 Se 0.56466569925025 0.50000000000000 0.43482941815554 78.960 > 65 91 Se 0.06466569925025 0.50000000000000 0.93482941815554 78.960 > 65 92 Se 0.56466569925025 0.50000000000000 0.93482941815554 78.960 > 65 93 Se 0.43533430074975 0.50000000000000 0.06517058184446 78.960 > 69 94 Se 0.93533430074975 0.50000000000000 0.06517058184446 78.960 > 69 95 Se 0.43533430074975 0.50000000000000 0.56517058184446 78.960 > 69 96 Se 0.93533430074975 0.50000000000000 0.56517058184446 78.960 > 69 97 Se 0.45034046904590 0.15079356044464 0.34812758875069 78.960 > 73 98 Se 0.95034046904590 0.15079356044464 0.34812758875069 78.960 > 73 99 Se 0.45034046904590 0.15079356044464 0.84812758875069 78.960 > 73 100 Se 0.95034046904590 0.15079356044464 0.84812758875069 78.960 > 73 101 Se 0.04965953095410 0.15079356044464 0.15187241124931 78.960 > 77 102 Se 0.54965953095410 0.15079356044464 0.15187241124931 78.960 > 77 103 Se 0.04965953095410 0.15079356044464 0.65187241124931 78.960 > 77 104 Se 0.54965953095410 0.15079356044464 0.65187241124931 78.960 > 77 105 Se 0.04965953095410 0.84920643955536 0.15187241124931 78.960 > 81 106 Se 0.54965953095410 0.84920643955536 0.15187241124931 78.960 > 81 107 Se 0.04965953095410 0.84920643955536 0.65187241124931 78.960 > 81 108 Se 0.54965953095410 0.84920643955536 0.65187241124931 78.960 > 81 109 Se 0.45034046904590 0.84920643955536 0.34812758875069 78.960 > 85 110 Se 0.95034046904590 0.84920643955536 0.34812758875069 78.960 > 85 111 Se 0.45034046904590 0.84920643955536 0.84812758875069 78.960 > 85 112 Se 0.95034046904590 0.84920643955536 0.84812758875069 78.960 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5773271 0.0000000 -0.0561287 0.0000000 4.4509059 0.0000000 -0.0561278 0.0000000 4.6431057-------------------------- Born effective charges -------------------------- 1 K 1.0651815 0.3643983 0.0165768 0.4221089 1.3715936 -0.0169327 -0.0229374 -0.1059088 0.8957460 2 K 1.0651815 -0.3643983 0.0165768 -0.4221089 1.3715936 0.0169327 -0.0229374 0.1059088 0.8957460 3 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 4 K 1.4189447 0.0000000 -0.1000110 0.0000000 0.8606563 0.0000000 -0.1186439 0.0000000 1.3677304 5 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 6 K 1.0571301 0.0000000 0.1839618 0.0000000 1.2989077 0.0000000 0.0880799 0.0000000 1.3326661 7 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 8 Ge 2.1218187 0.0000000 -0.0970487 0.0000000 2.1265556 0.0000000 -0.3069415 0.0000000 1.6933951 9 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 10 Se -2.6549103 0.0000000 -0.2900511 0.0000000 -1.3346906 0.0000000 -0.3025980 0.0000000 -1.4745571 11 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 12 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902 13 Se -1.5040823 -0.3498739 0.1432861 -0.3697138 -2.1615113 0.5593793 0.3315204 0.7856159 -1.9074902 14 Se -1.5040823 0.3498739 0.1432861 0.3697138 -2.1615113 -0.5593793 0.3315204 -0.7856159 -1.9074902----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (zxy) 0.00000001 (zxy) 0.00000001 (zyx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 7 7 7 ]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: 0.55, Number of G-points: 303, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/100) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating 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 1.350 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/100) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.371 ( 7.305 -15.425 8.448) 19.044 0.404 ( 13.876 -11.818 4.590) 18.796 0.711 ( 27.372 -8.165 19.821) 34.767 1.346 ( -3.408 -2.421 3.962) 5.759 1.509 ( 3.144 -1.323 -1.549) 3.746 1.572 ( 6.900 6.044 -4.283) 10.124 1.844 ( -4.339 1.718 -5.809) 7.451 1.856 ( -6.828 1.160 -5.702) 8.971 1.907 ( -3.726 -3.695 -4.105) 6.662 2.146 ( -3.975 1.539 -2.032) 4.722 2.260 ( 0.869 3.069 0.736) 3.273 2.299 ( 2.703 2.012 0.772) 3.457 2.452 ( 1.111 -1.960 -0.208) 2.262 2.545 ( -5.117 0.999 -1.332) 5.381 2.583 ( 4.601 1.807 4.556) 6.723 2.671 ( -9.329 -10.196 -1.034) 13.859 2.693 ( -1.044 0.741 -3.000) 3.261 2.783 ( 4.112 0.477 0.696) 4.197 2.853 ( -0.055 -0.198 -0.654) 0.686 2.897 ( 0.205 0.371 1.446) 1.507 2.985 ( -1.417 2.669 0.768) 3.118 3.022 ( -0.959 -1.393 -0.790) 1.867 3.112 ( -4.196 0.427 0.322) 4.230 3.206 ( -0.222 -0.769 1.973) 2.129 3.332 ( 0.195 -2.950 -3.278) 4.414 3.392 ( 0.288 2.079 -0.472) 2.151 3.561 ( 3.528 -0.616 5.256) 6.360 3.603 ( -2.664 -1.902 1.912) 3.791 3.754 ( 5.842 -2.168 -5.750) 8.479 3.771 ( -0.936 -0.155 -0.463) 1.056 3.792 ( -1.741 -0.155 0.311) 1.775 4.115 ( -5.502 -4.254 -6.549) 9.553 4.429 ( 4.437 1.478 2.986) 5.549 4.477 ( 1.803 -0.286 2.886) 3.415 4.890 ( 0.496 14.655 7.902) 16.657 5.379 ( 0.248 -0.200 -0.646) 0.720 6.362 ( -2.741 6.926 13.372) 15.307 7.970 ( 1.595 3.930 -3.485) 5.490 8.032 ( 0.165 -0.779 1.243) 1.477 8.087 ( 7.617 2.873 -4.501) 9.302 8.427 ( -5.306 -16.723 -12.057) 21.288 8.689 ( 0.145 0.297 0.034) 0.332======================= Grid point 2 (3/100) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 4.502 -12.264 6.962) 14.803 0.756 ( 10.944 -9.504 3.707) 14.961 1.279 ( 13.875 -1.432 12.364) 18.639 1.408 ( 4.254 -6.234 7.319) 10.513 1.557 ( 3.461 0.310 -3.156) 4.695 1.588 ( 4.907 5.426 0.095) 7.316 1.667 ( -6.493 2.139 -6.469) 9.412 1.738 ( -0.887 -1.527 -2.334) 2.926 1.868 ( -2.400 -4.209 -2.490) 5.448 2.054 ( -3.513 2.688 -3.824) 5.847 2.254 ( 1.829 1.770 1.866) 3.156 2.317 ( 1.149 2.039 -0.729) 2.451 2.458 ( -0.465 1.713 0.322) 1.804 2.484 ( -0.985 0.802 1.793) 2.197 2.571 ( -5.172 -3.298 -1.589) 6.337 2.618 ( -5.243 2.128 -2.086) 6.031 2.679 ( -0.648 -4.758 -0.399) 4.818 2.791 ( -3.615 3.113 -1.669) 5.055 2.852 ( 1.296 0.106 0.623) 1.441 2.889 ( -1.823 -1.525 -1.582) 2.856 2.912 ( 3.776 4.801 1.688) 6.337 3.016 ( -0.811 1.053 -0.382) 1.383 3.100 ( -0.898 -0.243 1.641) 1.886 3.220 ( -1.456 -0.120 2.013) 2.487 3.345 ( -1.262 -2.947 -3.534) 4.771 3.355 ( -1.139 2.145 -0.616) 2.505 3.605 ( -0.224 -1.054 0.520) 1.197 3.629 ( -2.615 -0.722 0.442) 2.748 3.682 ( 1.532 0.165 -3.414) 3.746 3.831 ( -0.591 -5.319 4.457) 6.965 3.882 ( 6.082 0.139 1.557) 6.280 4.053 ( 0.708 -2.253 -4.707) 5.266 4.498 ( 2.090 1.313 1.398) 2.837 4.524 ( 2.391 1.119 2.039) 3.336 4.763 ( -4.164 8.696 2.018) 9.850 5.381 ( 0.447 -0.252 -0.681) 0.853 6.343 ( -1.422 2.620 4.203) 5.152 7.930 ( 0.251 1.821 -2.050) 2.753 8.058 ( 0.075 -1.126 1.616) 1.971 8.134 ( 4.305 0.625 -2.915) 5.237 8.437 ( -2.045 -6.654 -3.886) 7.972 8.687 ( 0.123 0.405 0.004) 0.423======================= Grid point 3 (4/100) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 1.110 -4.894 2.821) 5.757 0.994 ( 4.903 -4.610 2.562) 7.201 1.413 ( 0.170 -2.324 2.482) 3.405 1.472 ( 0.124 3.836 -3.824) 5.417 1.554 ( 2.389 0.075 -5.461) 5.961 1.580 ( -0.531 2.808 3.447) 4.477 1.660 ( 1.253 -3.003 3.406) 4.711 1.820 ( 2.726 -1.123 2.501) 3.866 1.888 ( -1.661 3.132 -0.589) 3.594 1.997 ( 2.806 -4.825 1.716) 5.839 2.267 ( -0.675 2.788 -3.895) 4.837 2.330 ( 3.170 -3.832 -0.100) 4.975 2.419 ( -2.699 2.189 1.017) 3.621 2.454 ( 0.991 2.437 -1.112) 2.857 2.509 ( -1.410 1.840 2.608) 3.489 2.542 ( -2.866 -2.750 -1.451) 4.228 2.665 ( -1.725 0.139 -1.062) 2.031 2.780 ( 0.184 -1.755 3.114) 3.579 2.844 ( -0.728 2.226 -4.757) 5.302 2.877 ( 0.637 0.290 0.793) 1.058 2.918 ( 1.053 1.756 -0.076) 2.049 3.003 ( -0.144 -0.077 0.584) 0.606 3.062 ( -3.186 -0.563 -2.218) 3.922 3.207 ( -0.286 1.724 5.588) 5.854 3.272 ( -3.144 0.147 -4.722) 5.675 3.349 ( 0.551 -0.058 -0.209) 0.592 3.584 ( -0.920 0.003 -0.804) 1.222 3.622 ( -0.267 -1.028 0.330) 1.112 3.703 ( 0.780 -0.498 -0.576) 1.090 3.891 ( -1.242 -3.212 -0.569) 3.491 3.950 ( 2.267 0.829 1.779) 2.999 4.166 ( 7.494 -4.505 2.177) 9.011 4.434 ( -5.560 4.070 -1.846) 7.133 4.557 ( 2.282 1.846 0.052) 2.935 4.659 ( -1.827 1.765 1.156) 2.791 5.386 ( 0.256 -0.116 -0.257) 0.380 6.329 ( -0.495 0.734 0.995) 1.332 7.907 ( 0.031 0.566 -0.729) 0.923 8.078 ( 0.044 -0.445 0.700) 0.830 8.161 ( 1.436 0.028 -1.111) 1.816 8.446 ( -0.539 -1.943 -0.934) 2.222 8.685 ( 0.032 0.194 -0.013) 0.197======================= Grid point 8 (5/100) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.493 ( 9.542 0.000 8.578) 12.831 0.635 ( 13.881 0.000 7.307) 15.687 1.273 ( 25.354 0.000 18.749) 31.533 1.303 ( -4.318 -0.000 6.045) 7.429 1.562 ( 4.977 0.000 -0.383) 4.992 1.656 ( 3.484 0.000 -8.044) 8.767 1.685 ( -7.157 -0.000 -6.258) 9.507 1.744 ( -5.468 -0.000 -3.583) 6.537 1.809 ( 0.959 0.000 -1.705) 1.956 2.098 ( -1.511 -0.000 -2.092) 2.581 2.276 ( -2.366 -0.000 0.104) 2.368 2.373 ( 2.710 0.000 3.319) 4.285 2.439 ( 0.084 0.000 -1.293) 1.296 2.485 ( -5.792 -0.000 0.029) 5.792 2.529 ( -0.163 -0.000 -1.044) 1.057 2.624 ( 1.441 0.000 -5.556) 5.739 2.633 ( -4.122 -0.000 2.389) 4.764 2.834 ( -8.112 -0.000 -4.209) 9.139 2.853 ( -2.411 -0.000 1.454) 2.815 2.855 ( 2.160 0.000 -0.010) 2.160 2.989 ( 2.411 0.000 5.667) 6.158 3.068 ( -0.933 -0.000 -1.802) 2.029 3.077 ( 4.545 0.000 -0.551) 4.578 3.240 ( 2.669 0.000 1.889) 3.270 3.275 ( -3.090 -0.000 0.955) 3.234 3.401 ( -0.342 -0.000 -1.244) 1.290 3.572 ( -1.105 -0.000 2.362) 2.608 3.636 ( -0.754 -0.000 1.383) 1.576 3.721 ( -4.293 -0.000 -2.943) 5.205 3.722 ( -0.722 -0.000 -0.552) 0.909 3.888 ( 9.032 0.000 -0.460) 9.044 4.016 ( 0.766 0.000 -1.888) 2.038 4.506 ( -0.407 -0.000 1.754) 1.801 4.539 ( 4.799 0.000 1.978) 5.190 4.882 ( -8.848 -0.000 -0.182) 8.850 5.381 ( 0.768 0.000 -0.712) 1.047 6.386 ( -5.909 -0.000 7.124) 9.256 8.000 ( -0.087 -0.000 -3.180) 3.181 8.010 ( 0.230 0.000 0.164) 0.283 8.172 ( 4.950 0.000 -9.545) 10.752 8.294 ( 3.601 0.000 1.930) 4.086 8.693 ( 0.085 0.000 -0.048) 0.098======================= Grid point 9 (6/100) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 5.341 -5.587 7.967) 11.100 0.899 ( 10.229 -2.811 5.351) 11.881 1.318 ( -1.595 -3.470 5.097) 6.369 1.506 ( -7.159 -0.019 -6.371) 9.583 1.570 ( -0.431 0.917 -6.452) 6.531 1.617 ( -2.137 0.145 -1.214) 2.462 1.678 ( 9.038 3.476 6.306) 11.555 1.771 ( 7.569 -3.309 4.850) 9.579 1.911 ( 9.206 -1.093 5.559) 10.810 2.030 ( -2.087 5.063 -2.034) 5.842 2.266 ( 0.966 -0.980 -0.028) 1.377 2.350 ( -3.965 2.837 -2.051) 5.290 2.410 ( -4.263 -2.098 -1.943) 5.133 2.451 ( -0.886 -0.911 0.610) 1.409 2.503 ( 1.824 -0.926 -3.885) 4.391 2.583 ( -0.679 1.988 -0.240) 2.114 2.622 ( -2.002 -0.469 -0.283) 2.075 2.741 ( -1.494 -1.731 5.404) 5.868 2.858 ( -0.963 -0.572 -1.129) 1.591 2.874 ( 1.754 -0.726 -0.944) 2.120 2.986 ( -3.618 -0.033 -0.554) 3.661 3.015 ( -1.948 3.428 -2.722) 4.792 3.102 ( 1.389 2.918 -2.721) 4.225 3.243 ( -1.167 0.964 5.542) 5.745 3.298 ( 1.125 1.430 -0.035) 1.820 3.376 ( 0.354 1.778 -0.509) 1.883 3.564 ( -2.178 -0.973 0.502) 2.438 3.594 ( -0.578 -1.947 -2.327) 3.088 3.664 ( -1.567 -1.843 -0.196) 2.428 3.797 ( 2.691 -3.109 3.688) 5.524 3.978 ( 3.096 1.156 0.059) 3.306 4.085 ( 5.844 -2.392 1.083) 6.406 4.483 ( -3.363 0.664 -0.253) 3.437 4.591 ( 1.032 0.885 -1.306) 1.885 4.709 ( -8.058 1.923 -1.819) 8.482 5.390 ( 1.053 0.251 -0.518) 1.200 6.344 ( -3.426 0.491 2.874) 4.499 7.950 ( 0.855 2.990 -2.847) 4.217 8.039 ( 0.420 -2.741 -1.030) 2.958 8.173 ( 2.140 0.696 -2.798) 3.590 8.385 ( 3.062 -2.480 1.237) 4.130 8.690 ( -0.145 0.200 -0.101) 0.267======================= Grid point 10 (7/100) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 1.821 -2.843 5.484) 6.440 1.063 ( 3.714 1.267 1.543) 4.217 1.343 ( -7.589 -6.240 -4.470) 10.794 1.401 ( -0.620 -2.062 2.371) 3.202 1.510 ( -0.937 -0.557 -3.473) 3.640 1.594 ( -1.211 0.327 3.693) 3.900 1.731 ( 1.313 2.281 -3.804) 4.626 1.866 ( -1.880 5.365 -3.024) 6.440 1.956 ( 6.468 5.260 3.679) 9.112 2.079 ( 3.248 1.593 3.126) 4.781 2.240 ( -1.346 0.342 1.859) 2.320 2.302 ( 0.583 -4.154 -2.761) 5.022 2.393 ( -3.627 -3.796 0.533) 5.277 2.443 ( 1.162 3.087 0.822) 3.399 2.533 ( -2.885 4.339 -2.380) 5.728 2.551 ( 1.007 -3.467 -1.246) 3.819 2.609 ( 2.142 0.145 0.425) 2.189 2.791 ( -1.670 -1.329 6.419) 6.765 2.824 ( -5.379 -4.358 0.159) 6.925 2.853 ( 1.401 1.992 -2.556) 3.530 2.923 ( -0.637 0.137 -1.750) 1.867 3.022 ( 5.504 1.743 -0.279) 5.781 3.065 ( 0.872 -0.467 -0.680) 1.200 3.237 ( 1.368 5.452 -3.893) 6.838 3.303 ( 3.009 1.843 6.004) 6.964 3.372 ( 0.406 2.063 1.298) 2.472 3.568 ( 0.015 -1.278 0.933) 1.582 3.618 ( 0.322 -2.733 0.657) 2.829 3.671 ( -1.130 -2.228 0.184) 2.505 3.885 ( 1.059 -1.844 2.081) 2.975 3.976 ( 0.256 1.820 -0.892) 2.043 4.222 ( 1.901 -1.674 0.307) 2.552 4.370 ( -3.787 1.118 -1.285) 4.152 4.516 ( -6.127 -1.967 -1.678) 6.650 4.637 ( -0.531 -0.439 -3.183) 3.257 5.397 ( 0.746 0.693 -0.126) 1.026 6.316 ( -2.075 -0.430 0.867) 2.289 7.922 ( 1.180 1.662 -1.796) 2.716 8.061 ( 0.566 -1.678 -1.902) 2.599 8.172 ( -0.116 0.753 0.064) 0.765 8.459 ( 2.873 -0.451 1.685) 3.361 8.684 ( -0.267 0.101 -0.084) 0.297======================= Grid point 11 (8/100) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -1.280 5.634 -1.928) 6.091 0.974 ( -5.394 8.880 -1.125) 10.451 1.263 ( -10.942 -5.945 -3.349) 12.895 1.399 ( -1.812 -1.086 -3.438) 4.035 1.483 ( -4.033 -3.851 -2.240) 6.009 1.628 ( 3.155 0.936 6.804) 7.558 1.688 ( -0.455 2.616 -1.954) 3.297 1.758 ( -0.161 3.656 -2.694) 4.544 1.984 ( 3.600 6.135 2.289) 7.472 2.078 ( 1.617 5.832 3.200) 6.846 2.213 ( -3.912 -1.708 -1.284) 4.457 2.315 ( -4.548 1.556 -1.572) 5.057 2.390 ( 1.343 -3.622 -1.874) 4.293 2.434 ( 3.899 -2.768 0.088) 4.782 2.548 ( 1.911 -3.075 2.233) 4.254 2.625 ( 5.154 -1.411 0.878) 5.415 2.657 ( 2.859 -2.220 0.455) 3.648 2.766 ( -4.822 -2.941 2.166) 6.049 2.817 ( -2.332 -1.702 0.593) 2.947 2.890 ( -0.334 1.093 -0.689) 1.334 2.903 ( 2.759 0.598 2.343) 3.669 3.039 ( 2.065 1.147 -1.165) 2.634 3.127 ( 3.778 4.859 -2.561) 6.666 3.226 ( 5.357 -0.278 -0.655) 5.404 3.360 ( 0.105 2.392 3.070) 3.894 3.395 ( 4.475 1.860 4.888) 6.883 3.592 ( 1.086 -1.010 -0.888) 1.729 3.664 ( 0.727 -0.471 2.755) 2.887 3.669 ( -1.507 -1.024 1.403) 2.299 3.850 ( -5.655 -1.314 -3.071) 6.567 3.967 ( -0.956 5.047 -3.051) 5.975 4.103 ( -1.870 2.778 2.482) 4.168 4.437 ( -6.410 -4.382 -2.126) 8.051 4.464 ( 3.148 -5.076 0.428) 5.988 4.604 ( -1.950 -3.578 -5.040) 6.481 5.396 ( 0.347 1.027 0.391) 1.152 6.297 ( -1.781 -1.454 -0.817) 2.440 7.921 ( 1.211 0.543 -0.283) 1.356 8.064 ( 0.394 -0.297 -2.115) 2.172 8.148 ( -2.155 1.331 1.135) 2.775 8.519 ( 3.337 1.253 2.883) 4.584 8.680 ( -0.224 -0.184 -0.058) 0.296======================= Grid point 12 (9/100) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -8.983 10.927 -7.449) 15.987 0.734 ( -7.463 15.109 -1.062) 16.885 1.001 ( -9.384 12.345 -9.427) 18.148 1.381 ( -4.414 -9.156 -1.432) 10.265 1.424 ( -2.582 2.108 -0.141) 3.336 1.591 ( -0.182 7.817 0.639) 7.845 1.775 ( 4.482 -5.245 1.792) 7.128 1.803 ( 3.981 -2.141 6.594) 7.995 1.998 ( 2.659 4.776 3.513) 6.498 2.121 ( 1.675 0.058 0.521) 1.755 2.172 ( -0.406 -3.659 1.689) 4.051 2.253 ( -2.536 -1.941 -2.395) 3.992 2.448 ( -0.956 -2.430 -3.015) 3.988 2.495 ( 5.042 -4.005 -0.775) 6.486 2.576 ( -5.288 1.643 -4.146) 6.917 2.639 ( 1.248 -2.880 3.817) 4.941 2.747 ( -0.070 -1.287 -0.105) 1.293 2.828 ( 1.978 -0.272 -1.084) 2.272 2.837 ( 2.828 -2.892 4.225) 5.849 2.895 ( 3.528 1.689 4.103) 5.668 2.932 ( 0.989 0.525 -0.280) 1.154 3.033 ( 0.215 -0.493 -3.909) 3.946 3.138 ( 5.236 3.010 0.718) 6.082 3.246 ( 0.586 2.642 -2.100) 3.425 3.391 ( 1.497 3.855 2.704) 4.941 3.443 ( 0.653 2.855 5.202) 5.970 3.581 ( -1.742 0.466 -2.343) 2.956 3.634 ( -3.390 1.035 2.005) 4.072 3.739 ( 3.562 -0.832 3.175) 4.844 3.781 ( 0.636 -1.214 -2.508) 2.858 3.817 ( -3.188 2.126 -3.941) 5.497 4.191 ( 6.165 1.694 7.195) 9.625 4.369 ( -4.941 -3.893 -1.953) 6.587 4.482 ( -1.833 0.054 -3.161) 3.655 4.595 ( -5.535 -10.371 -7.012) 13.688 5.393 ( 0.156 1.056 0.610) 1.229 6.272 ( -2.227 -1.935 -2.823) 4.084 7.941 ( 0.961 -0.114 0.979) 1.377 8.050 ( 0.310 0.813 -1.766) 1.969 8.093 ( -3.464 1.886 1.263) 4.142 8.592 ( 4.296 1.545 4.586) 6.471 8.680 ( -0.006 -0.342 -0.067) 0.349======================= Grid point 13 (10/100) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 0.000 15.064 -0.000) 15.064 0.451 ( 0.000 19.659 -0.000) 19.659 0.652 ( 0.000 26.007 -0.000) 26.007 1.382 ( 0.000 2.310 -0.000) 2.310 1.441 ( -0.000 -8.765 0.000) 8.765 1.523 ( 0.000 4.398 -0.000) 4.398 1.890 ( -0.000 -4.325 0.000) 4.325 1.903 ( -0.000 -2.201 0.000) 2.201 2.001 ( 0.000 2.980 -0.000) 2.980 2.126 ( -0.000 -4.754 0.000) 4.754 2.238 ( -0.000 -2.795 0.000) 2.795 2.343 ( -0.000 -5.411 0.000) 5.411 2.353 ( 0.000 0.968 -0.000) 0.968 2.472 ( 0.000 2.799 -0.000) 2.799 2.612 ( -0.000 -5.179 0.000) 5.179 2.695 ( -0.000 -1.462 0.000) 1.462 2.742 ( 0.000 0.039 -0.000) 0.039 2.838 ( -0.000 -0.455 0.000) 0.455 2.877 ( 0.000 3.935 -0.000) 3.935 2.925 ( -0.000 -2.288 0.000) 2.288 2.975 ( 0.000 1.245 -0.000) 1.245 3.014 ( -0.000 -1.873 0.000) 1.873 3.180 ( 0.000 2.620 -0.000) 2.620 3.213 ( 0.000 0.361 -0.000) 0.361 3.333 ( 0.000 5.021 -0.000) 5.021 3.433 ( 0.000 2.379 -0.000) 2.379 3.529 ( 0.000 4.157 -0.000) 4.157 3.619 ( -0.000 -1.073 0.000) 1.073 3.772 ( -0.000 -0.051 0.000) 0.051 3.807 ( -0.000 -1.759 0.000) 1.759 3.845 ( -0.000 -1.854 0.000) 1.854 4.306 ( -0.000 -1.133 0.000) 1.133 4.422 ( -0.000 -3.185 0.000) 3.185 4.429 ( -0.000 -1.435 0.000) 1.435 4.463 ( -0.000 -1.183 0.000) 1.183 5.386 ( 0.000 0.762 -0.000) 0.762 6.239 ( -0.000 -0.384 0.000) 0.384 7.956 ( 0.000 0.329 -0.000) 0.329 8.030 ( 0.000 2.181 -0.000) 2.181 8.042 ( 0.000 0.566 -0.000) 0.566 8.669 ( -0.000 -1.359 0.000) 1.359 8.689 ( -0.000 -0.361 0.000) 0.361======================= Grid point 16 (11/100) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 2.998 0.000 9.344) 9.813 1.071 ( 7.641 0.000 4.037) 8.642 1.264 ( -6.934 -0.000 -6.387) 9.427 1.372 ( -2.545 -0.000 3.313) 4.178 1.509 ( -1.896 -0.000 -3.939) 4.371 1.592 ( -0.636 -0.000 1.263) 1.414 1.778 ( -0.993 -0.000 -5.124) 5.219 1.925 ( 6.615 0.000 3.068) 7.292 2.054 ( 3.507 0.000 3.920) 5.260 2.070 ( 3.791 0.000 2.461) 4.520 2.243 ( 1.387 0.000 -1.306) 1.905 2.267 ( -5.839 -0.000 -1.543) 6.039 2.329 ( -2.549 -0.000 2.624) 3.658 2.481 ( 1.764 0.000 -4.676) 4.998 2.502 ( 3.248 0.000 -0.461) 3.280 2.576 ( 0.219 0.000 -1.896) 1.909 2.664 ( 0.512 0.000 6.281) 6.302 2.742 ( -8.818 -0.000 -5.805) 10.557 2.777 ( -0.785 -0.000 6.727) 6.773 2.888 ( -2.215 -0.000 -2.163) 3.096 2.897 ( 2.313 0.000 -0.275) 2.330 3.041 ( 2.833 0.000 -0.253) 2.844 3.063 ( -0.802 -0.000 -3.680) 3.766 3.324 ( 3.198 0.000 6.253) 7.023 3.385 ( 0.911 0.000 -0.768) 1.192 3.389 ( 3.811 0.000 3.741) 5.340 3.521 ( -0.204 -0.000 -5.122) 5.126 3.552 ( -1.646 -0.000 3.655) 4.008 3.645 ( -0.068 -0.000 -0.563) 0.567 3.862 ( 1.151 0.000 4.089) 4.247 4.001 ( 1.260 0.000 -1.668) 2.091 4.176 ( 5.141 0.000 2.496) 5.716 4.417 ( -4.702 -0.000 -1.353) 4.893 4.479 ( -11.045 -0.000 -3.918) 11.719 4.633 ( -0.761 -0.000 -3.851) 3.926 5.406 ( 1.153 0.000 -0.343) 1.203 6.311 ( -3.059 -0.000 1.608) 3.456 7.954 ( 0.434 0.000 -3.335) 3.364 8.029 ( 2.428 0.000 -2.392) 3.408 8.182 ( -0.013 -0.000 0.231) 0.232 8.449 ( 3.994 0.000 1.863) 4.407 8.686 ( -0.393 -0.000 -0.125) 0.413======================= Grid point 17 (12/100) =======================q-point: (-0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 1.853 -0.235 7.533) 7.761 1.067 ( -9.960 -1.638 -5.253) 11.378 1.168 ( 0.833 0.953 0.718) 1.455 1.393 ( -0.484 -0.764 0.037) 0.905 1.423 ( -6.605 -1.060 -4.695) 8.173 1.625 ( 1.313 -1.348 3.762) 4.207 1.690 ( -0.006 1.825 -2.649) 3.216 1.896 ( -1.155 3.959 -2.513) 4.829 2.092 ( 2.066 2.604 0.918) 3.448 2.173 ( -4.056 -1.380 -2.362) 4.892 2.219 ( 4.812 4.517 2.403) 7.023 2.307 ( 2.656 -3.272 0.632) 4.262 2.384 ( 0.042 2.185 0.019) 2.186 2.411 ( -1.223 1.615 -1.247) 2.379 2.494 ( 0.993 -1.393 -1.892) 2.551 2.551 ( 2.301 -2.376 0.707) 3.382 2.657 ( 1.248 0.397 1.381) 1.903 2.691 ( -5.623 -2.594 1.890) 6.474 2.793 ( -2.438 -0.421 5.039) 5.614 2.866 ( 0.792 -0.850 -0.803) 1.412 2.926 ( 0.662 0.128 -1.152) 1.335 3.057 ( 2.626 0.343 0.024) 2.648 3.170 ( 8.929 -1.604 2.285) 9.356 3.334 ( 1.978 8.998 -2.511) 9.549 3.408 ( 2.460 1.327 1.957) 3.412 3.447 ( 3.035 2.642 4.102) 5.746 3.560 ( 0.322 -2.477 0.604) 2.569 3.574 ( -0.514 -5.883 3.606) 6.919 3.642 ( 0.375 -1.277 -2.264) 2.627 3.835 ( -5.411 -0.052 0.277) 5.419 4.043 ( 3.592 1.736 -0.136) 3.992 4.190 ( -5.530 4.409 -2.103) 7.378 4.306 ( -5.095 -5.218 -1.215) 7.393 4.371 ( -1.742 -3.000 0.088) 3.470 4.574 ( -2.270 -0.287 -5.610) 6.059 5.418 ( 0.899 0.652 -0.003) 1.110 6.277 ( -2.703 -0.458 0.625) 2.812 7.935 ( 0.616 0.396 -2.310) 2.423 8.057 ( 2.916 -0.167 -2.648) 3.942 8.174 ( -1.544 0.726 1.524) 2.288 8.524 ( 3.426 -0.212 1.758) 3.856 8.678 ( -0.398 -0.012 -0.076) 0.406======================= Grid point 18 (13/100) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -7.996 3.840 -6.414) 10.946 1.014 ( -2.732 6.663 7.435) 10.350 1.113 ( -1.435 2.159 -1.795) 3.153 1.245 ( -6.553 -1.689 -7.707) 10.257 1.413 ( -0.715 -2.575 0.309) 2.690 1.663 ( -0.565 -3.289 -1.093) 3.511 1.756 ( 4.751 -0.551 5.975) 7.654 1.835 ( 1.294 7.760 -0.059) 7.867 2.097 ( -2.020 -0.037 2.689) 3.363 2.118 ( 1.361 1.995 -2.818) 3.712 2.169 ( -2.452 4.387 -0.179) 5.029 2.225 ( -1.062 -0.354 -3.746) 3.909 2.390 ( 0.761 -2.130 0.284) 2.280 2.430 ( -0.005 0.065 -4.639) 4.639 2.596 ( 1.152 -0.807 2.014) 2.456 2.610 ( -2.245 0.246 2.536) 3.396 2.700 ( 3.829 -3.015 -0.211) 4.879 2.715 ( 3.371 -4.685 3.688) 6.849 2.823 ( 1.514 -0.792 3.887) 4.246 2.908 ( 0.158 -2.212 0.306) 2.238 2.916 ( 1.249 0.277 1.879) 2.273 3.076 ( 0.729 2.516 -2.362) 3.527 3.253 ( 3.333 7.067 -2.225) 8.124 3.299 ( 3.907 1.432 -1.898) 4.574 3.447 ( 4.006 1.072 4.859) 6.388 3.485 ( -0.665 1.092 2.736) 3.020 3.586 ( 0.577 -1.485 -1.711) 2.338 3.607 ( -4.529 -1.406 3.384) 5.826 3.699 ( 2.871 -4.347 0.523) 5.236 3.770 ( -0.437 1.327 0.740) 1.581 3.898 ( -7.327 5.114 -5.269) 10.374 4.193 ( 3.293 -1.581 1.927) 4.130 4.263 ( -4.254 -4.991 -0.306) 6.566 4.423 ( -0.671 -4.505 -1.207) 4.711 4.487 ( -3.132 -0.163 -4.825) 5.755 5.420 ( 0.538 1.200 0.291) 1.346 6.245 ( -2.162 -0.686 -0.280) 2.286 7.933 ( 0.515 -0.571 -0.816) 1.121 8.076 ( 2.586 1.331 -2.068) 3.569 8.139 ( -2.550 1.798 1.550) 3.484 8.590 ( 2.408 -0.771 1.665) 3.027 8.674 ( -0.144 -0.208 -0.028) 0.254======================= Grid point 19 (14/100) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 0.000 10.599 -0.000) 10.599 0.856 ( 0.000 16.225 -0.000) 16.225 1.056 ( 0.000 9.118 -0.000) 9.118 1.218 ( -0.000 -9.285 0.000) 9.285 1.423 ( 0.000 0.186 -0.000) 0.186 1.714 ( 0.000 12.642 -0.000) 12.642 1.727 ( -0.000 -8.136 0.000) 8.136 1.851 ( -0.000 -2.271 0.000) 2.271 2.092 ( 0.000 4.949 -0.000) 4.949 2.105 ( 0.000 0.628 -0.000) 0.628 2.138 ( -0.000 -4.432 0.000) 4.432 2.238 ( -0.000 -3.445 0.000) 3.445 2.378 ( 0.000 1.299 -0.000) 1.299 2.456 ( -0.000 -6.770 0.000) 6.770 2.527 ( 0.000 2.231 -0.000) 2.231 2.672 ( -0.000 -0.904 0.000) 0.904 2.740 ( -0.000 -1.004 0.000) 1.004 2.802 ( -0.000 -3.087 0.000) 3.087 2.893 ( 0.000 0.370 -0.000) 0.370 2.913 ( -0.000 -3.199 0.000) 3.199 2.984 ( 0.000 2.998 -0.000) 2.998 2.999 ( -0.000 -0.575 0.000) 0.575 3.246 ( 0.000 2.766 -0.000) 2.766 3.261 ( 0.000 4.530 -0.000) 4.530 3.465 ( 0.000 0.917 -0.000) 0.917 3.490 ( 0.000 6.976 -0.000) 6.976 3.584 ( -0.000 -0.906 0.000) 0.906 3.591 ( -0.000 -1.444 0.000) 1.444 3.774 ( 0.000 0.957 -0.000) 0.957 3.779 ( -0.000 -1.733 0.000) 1.733 3.783 ( -0.000 -1.869 0.000) 1.869 4.240 ( -0.000 -5.137 0.000) 5.137 4.333 ( -0.000 -4.290 0.000) 4.290 4.393 ( -0.000 -0.864 0.000) 0.864 4.448 ( -0.000 -0.469 0.000) 0.469 5.411 ( 0.000 1.372 -0.000) 1.372 6.229 ( -0.000 -0.438 0.000) 0.438 7.945 ( -0.000 -1.074 0.000) 1.074 8.076 ( 0.000 2.170 -0.000) 2.170 8.087 ( 0.000 2.651 -0.000) 2.651 8.634 ( -0.000 -1.641 0.000) 1.641 8.678 ( -0.000 -0.499 0.000) 0.499======================= Grid point 24 (15/100) =======================q-point: ( 0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -7.753 -0.000 -5.037) 9.246 1.056 ( 2.391 0.000 9.948) 10.231 1.184 ( -2.777 -0.000 -0.666) 2.856 1.242 ( -5.877 -0.000 -4.661) 7.501 1.367 ( -1.237 -0.000 -3.225) 3.454 1.627 ( -1.467 -0.000 -1.592) 2.165 1.753 ( 3.966 0.000 3.171) 5.078 1.898 ( 1.553 0.000 2.266) 2.747 2.082 ( -2.888 -0.000 -4.875) 5.666 2.148 ( 2.546 0.000 0.596) 2.615 2.231 ( -0.495 -0.000 -3.447) 3.483 2.247 ( -7.557 -0.000 -1.257) 7.660 2.382 ( 1.882 0.000 -1.607) 2.475 2.456 ( -1.360 -0.000 -2.960) 3.258 2.564 ( 6.334 0.000 3.087) 7.047 2.611 ( -0.780 -0.000 5.823) 5.875 2.650 ( 5.091 0.000 2.124) 5.517 2.675 ( -0.700 -0.000 0.640) 0.949 2.812 ( 0.649 0.000 4.415) 4.463 2.884 ( 2.824 0.000 0.152) 2.829 2.914 ( -0.252 -0.000 0.902) 0.937 3.101 ( 0.358 0.000 0.411) 0.545 3.293 ( 5.891 0.000 -2.399) 6.361 3.386 ( 0.076 0.000 -3.870) 3.871 3.466 ( 1.823 0.000 3.378) 3.839 3.500 ( -0.327 -0.000 1.164) 1.209 3.534 ( -0.695 -0.000 -0.266) 0.744 3.582 ( 0.066 0.000 5.235) 5.235 3.638 ( 2.766 0.000 -0.927) 2.917 3.788 ( -0.643 -0.000 0.993) 1.183 3.991 ( -8.727 -0.000 -3.712) 9.484 4.132 ( -5.144 -0.000 -3.191) 6.054 4.211 ( 2.489 0.000 2.107) 3.262 4.376 ( 1.139 0.000 1.108) 1.589 4.486 ( -2.879 -0.000 -4.821) 5.615 5.435 ( 0.674 0.000 0.114) 0.683 6.238 ( -2.090 -0.000 0.240) 2.104 7.925 ( 0.174 0.000 -1.477) 1.488 8.093 ( 3.611 0.000 -2.400) 4.336 8.161 ( -2.424 -0.000 1.990) 3.136 8.579 ( 2.129 0.000 0.989) 2.348 8.672 ( -0.279 -0.000 -0.030) 0.281======================= Grid point 26 (16/100) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 0.000 0.440 -0.000) 0.440 1.114 ( 0.000 1.004 -0.000) 1.004 1.134 ( 0.000 0.444 -0.000) 0.444 1.147 ( 0.000 8.270 -0.000) 8.270 1.363 ( -0.000 -4.852 0.000) 4.852 1.607 ( -0.000 -2.237 0.000) 2.237 1.814 ( -0.000 -0.864 0.000) 0.864 1.948 ( 0.000 5.445 -0.000) 5.445 2.013 ( -0.000 -3.439 0.000) 3.439 2.170 ( 0.000 1.840 -0.000) 1.840 2.186 ( 0.000 2.426 -0.000) 2.426 2.190 ( -0.000 -0.992 0.000) 0.992 2.380 ( 0.000 0.368 -0.000) 0.368 2.414 ( 0.000 1.281 -0.000) 1.281 2.582 ( 0.000 2.954 -0.000) 2.954 2.651 ( -0.000 -0.847 0.000) 0.847 2.683 ( -0.000 -3.590 0.000) 3.590 2.736 ( -0.000 -1.928 0.000) 1.928 2.844 ( -0.000 -1.898 0.000) 1.898 2.913 ( 0.000 0.774 -0.000) 0.774 2.986 ( -0.000 -0.324 0.000) 0.324 3.042 ( 0.000 1.487 -0.000) 1.487 3.297 ( 0.000 0.609 -0.000) 0.609 3.364 ( 0.000 3.895 -0.000) 3.895 3.485 ( 0.000 0.899 -0.000) 0.899 3.529 ( -0.000 -1.572 0.000) 1.572 3.536 ( -0.000 -1.928 0.000) 1.928 3.589 ( 0.000 0.939 -0.000) 0.939 3.696 ( -0.000 -3.320 0.000) 3.320 3.796 ( 0.000 0.603 -0.000) 0.603 3.847 ( 0.000 4.654 -0.000) 4.654 4.105 ( -0.000 -5.623 0.000) 5.623 4.260 ( -0.000 -1.808 0.000) 1.808 4.389 ( 0.000 0.134 -0.000) 0.134 4.438 ( -0.000 -0.328 0.000) 0.328 5.437 ( 0.000 0.732 -0.000) 0.732 6.221 ( -0.000 -0.179 0.000) 0.179 7.924 ( -0.000 -0.625 0.000) 0.625 8.117 ( 0.000 1.104 -0.000) 1.104 8.133 ( 0.000 1.157 -0.000) 1.157 8.605 ( -0.000 -0.773 0.000) 0.773 8.671 ( -0.000 -0.181 0.000) 0.181======================= Grid point 51 (17/100) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.371 ( 2.387 0.000 19.353) 19.500 0.386 ( -3.116 -0.000 19.934) 20.176 0.642 ( 8.864 0.000 32.675) 33.856 1.305 ( 5.823 0.000 -2.824) 6.472 1.536 ( -3.145 -0.000 4.118) 5.182 1.620 ( -8.304 -0.000 -2.481) 8.667 1.864 ( -2.620 -0.000 -4.352) 5.080 1.879 ( -3.956 -0.000 -4.998) 6.374 1.889 ( -4.307 -0.000 -5.225) 6.771 2.191 ( -7.455 -0.000 -9.846) 12.350 2.220 ( 3.368 0.000 -3.168) 4.624 2.283 ( 2.693 0.000 2.400) 3.607 2.424 ( 1.676 0.000 -4.242) 4.561 2.482 ( 7.922 0.000 4.786) 9.255 2.625 ( -5.711 -0.000 -1.824) 5.996 2.666 ( 0.514 0.000 3.194) 3.235 2.723 ( 0.723 0.000 -1.917) 2.048 2.738 ( -1.409 -0.000 2.183) 2.598 2.843 ( 2.004 0.000 0.417) 2.047 2.924 ( 0.331 0.000 4.757) 4.769 2.969 ( 0.101 0.000 1.816) 1.819 3.095 ( -3.369 -0.000 2.069) 3.953 3.173 ( 2.557 0.000 -1.759) 3.103 3.250 ( -1.478 -0.000 -3.493) 3.793 3.362 ( -1.898 -0.000 -0.882) 2.093 3.477 ( 10.206 0.000 -0.165) 10.207 3.494 ( -6.611 -0.000 1.755) 6.840 3.581 ( 1.219 0.000 1.514) 1.944 3.782 ( -1.520 -0.000 0.943) 1.788 3.800 ( -8.936 -0.000 -2.283) 9.223 3.827 ( -15.344 -0.000 -0.056) 15.344 4.113 ( -4.809 -0.000 -4.408) 6.524 4.415 ( 2.785 0.000 2.354) 3.647 4.471 ( 2.676 0.000 2.740) 3.830 4.740 ( 27.843 0.000 -1.205) 27.869 5.375 ( -0.565 -0.000 -0.309) 0.643 6.537 ( 16.074 0.000 0.368) 16.079 7.995 ( -3.065 -0.000 -0.744) 3.154 8.038 ( -2.700 -0.000 -0.273) 2.714 8.069 ( -18.136 -0.000 0.375) 18.140 8.200 ( 2.265 0.000 -0.342) 2.291 8.686 ( 0.287 0.000 -0.300) 0.415======================= Grid point 52 (18/100) =======================q-point: ( 0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( 4.876 -6.508 14.288) 16.440 0.650 ( 5.472 -8.124 16.191) 18.923 1.161 ( 18.820 -2.886 23.739) 30.431 1.378 ( 3.070 -2.424 0.426) 3.935 1.504 ( 0.776 4.042 -1.472) 4.371 1.564 ( -0.141 -1.847 1.723) 2.530 1.727 ( -6.142 2.822 -5.661) 8.817 1.743 ( -4.219 0.738 -4.832) 6.457 1.823 ( -2.489 -3.732 -4.020) 6.023 2.059 ( -1.254 0.840 -6.997) 7.158 2.239 ( 2.719 1.261 -3.678) 4.745 2.329 ( 2.041 3.589 2.321) 4.737 2.425 ( 0.628 -1.950 -3.538) 4.089 2.537 ( -3.613 0.126 0.077) 3.616 2.586 ( 0.740 -2.006 0.142) 2.142 2.604 ( -5.606 -3.486 -2.407) 7.027 2.730 ( -1.330 1.073 2.575) 3.091 2.803 ( 3.236 1.154 0.356) 3.454 2.835 ( -0.493 0.220 -1.860) 1.936 2.950 ( 1.457 5.136 3.672) 6.480 2.998 ( -5.333 2.325 1.015) 5.905 3.041 ( -2.006 -1.628 1.788) 3.142 3.132 ( -4.494 -1.635 0.421) 4.801 3.235 ( -0.339 -3.542 -0.100) 3.559 3.273 ( 0.251 0.250 -2.747) 2.770 3.414 ( -0.696 4.018 3.572) 5.421 3.584 ( 2.743 1.633 -0.294) 3.206 3.674 ( 0.212 4.264 -0.136) 4.271 3.687 ( -1.206 -3.488 0.943) 3.809 3.761 ( 4.075 -1.438 0.027) 4.321 3.828 ( -2.277 -7.215 1.956) 7.814 4.005 ( -3.379 -1.112 -4.538) 5.766 4.480 ( 3.956 2.010 2.268) 4.984 4.529 ( 0.998 -0.621 2.251) 2.540 4.864 ( 2.755 5.884 -5.642) 8.605 5.368 ( -0.017 -0.210 -0.443) 0.491 6.524 ( -3.179 9.077 2.951) 10.060 7.911 ( -0.343 -0.391 -1.465) 1.554 8.009 ( -0.550 -1.952 -1.983) 2.836 8.083 ( 2.609 -1.188 2.413) 3.747 8.298 ( 1.957 -7.972 -2.983) 8.734 8.687 ( 0.251 0.193 -0.224) 0.388======================= Grid point 53 (19/100) =======================q-point: ( 0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 3.774 -6.348 8.561) 11.306 0.933 ( 4.261 -7.138 12.324) 14.866 1.395 ( 2.276 -0.737 1.995) 3.115 1.448 ( 2.724 3.688 -6.018) 7.565 1.505 ( -2.350 3.521 -4.856) 6.442 1.582 ( 3.196 -2.327 1.966) 4.415 1.669 ( 0.776 0.229 4.084) 4.164 1.759 ( 4.020 -4.520 3.492) 6.985 1.874 ( 6.662 -4.540 4.204) 9.092 1.974 ( -2.368 3.237 -4.043) 5.695 2.227 ( 1.592 -0.352 -4.649) 4.927 2.298 ( 0.346 3.701 -0.756) 3.793 2.427 ( 1.568 0.981 0.198) 1.860 2.492 ( -4.281 -0.018 0.258) 4.289 2.537 ( -2.015 -1.462 -2.560) 3.570 2.611 ( -3.636 -3.563 0.764) 5.148 2.680 ( -4.822 -0.136 -1.174) 4.965 2.770 ( 2.031 3.694 -0.396) 4.234 2.840 ( 0.293 0.224 -1.526) 1.570 2.917 ( -3.826 -1.088 3.202) 5.106 2.924 ( 2.186 6.134 -0.049) 6.512 3.014 ( -0.639 0.771 -0.122) 1.009 3.105 ( -5.923 -1.731 -1.033) 6.257 3.255 ( 1.209 1.580 0.851) 2.164 3.295 ( -0.005 -1.157 -1.421) 1.833 3.378 ( -1.396 2.903 3.440) 4.712 3.559 ( -1.053 0.157 -5.176) 5.284 3.616 ( -1.015 -0.672 0.324) 1.260 3.702 ( 0.434 0.524 2.667) 2.752 3.879 ( -2.542 -5.856 1.170) 6.490 3.901 ( 6.139 -0.746 -0.125) 6.186 4.032 ( 5.798 -3.153 2.597) 7.092 4.509 ( -0.502 1.774 -0.384) 1.884 4.540 ( 0.822 1.530 -0.179) 1.746 4.744 ( -3.761 4.402 -3.343) 6.685 5.373 ( 0.438 -0.444 -0.178) 0.649 6.413 ( -3.202 5.012 2.599) 6.490 7.902 ( -0.262 -0.551 -0.889) 1.078 8.019 ( 0.814 -2.287 -3.143) 3.971 8.156 ( 1.678 -1.352 3.224) 3.877 8.375 ( 2.206 -4.095 -2.678) 5.367 8.687 ( 0.124 0.252 -0.091) 0.295======================= Grid point 54 (20/100) =======================q-point: ( 0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( -0.737 2.207 2.101) 3.135 1.088 ( -1.242 -0.748 6.405) 6.567 1.404 ( 0.867 1.981 -4.252) 4.771 1.444 ( 2.278 -1.380 -0.544) 2.718 1.473 ( 1.543 -4.850 1.312) 5.256 1.615 ( 1.290 0.289 -6.755) 6.884 1.686 ( -1.594 0.534 5.549) 5.798 1.844 ( -4.987 2.164 -3.011) 6.214 1.877 ( 2.790 0.489 3.553) 4.544 2.009 ( 3.176 1.392 -2.116) 4.062 2.247 ( 4.077 -3.526 -0.109) 5.392 2.335 ( 0.346 -0.729 2.167) 2.312 2.431 ( -0.627 -1.552 0.271) 1.695 2.452 ( -3.855 4.030 -1.847) 5.875 2.482 ( 1.622 2.369 0.141) 2.875 2.586 ( -2.177 0.215 2.852) 3.594 2.645 ( -2.044 -4.926 -0.657) 5.374 2.752 ( 1.865 4.733 -2.957) 5.884 2.841 ( 2.671 -0.648 -0.237) 2.759 2.890 ( -0.595 1.754 -0.399) 1.895 2.917 ( -0.014 -0.699 2.548) 2.642 3.006 ( -2.148 -2.373 0.309) 3.215 3.040 ( 0.135 -0.786 -1.012) 1.289 3.179 ( -5.283 1.560 -4.650) 7.209 3.307 ( 2.122 2.411 5.266) 6.168 3.385 ( -0.314 1.070 3.698) 3.862 3.551 ( 2.951 -1.073 -2.916) 4.285 3.607 ( -0.900 -0.241 -0.693) 1.161 3.722 ( 0.817 0.920 1.642) 2.052 3.916 ( 0.055 -1.908 2.440) 3.098 3.942 ( 0.498 1.272 -1.713) 2.191 4.213 ( 4.373 -3.973 2.147) 6.286 4.392 ( -4.173 3.160 -2.087) 5.635 4.548 ( 1.239 0.270 -0.902) 1.556 4.646 ( -3.382 -0.596 -2.459) 4.224 5.385 ( 0.372 -0.420 0.166) 0.585 6.350 ( -1.653 2.296 1.120) 3.043 7.906 ( -0.311 -1.504 0.199) 1.549 8.028 ( 0.658 -1.628 -3.069) 3.535 8.209 ( -0.471 -1.187 3.706) 3.920 8.422 ( 2.695 -0.594 -1.627) 3.204 8.685 ( -0.017 0.063 0.072) 0.097======================= Grid point 55 (21/100) =======================q-point: (-0.43 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( -3.620 8.463 -2.312) 9.491 1.019 ( -7.420 7.097 4.335) 11.145 1.319 ( -2.908 4.771 -7.025) 8.976 1.478 ( -8.866 -3.109 -7.311) 11.904 1.547 ( 3.320 -5.072 1.047) 6.152 1.611 ( 3.722 -1.854 4.423) 6.071 1.653 ( -2.286 2.944 2.250) 4.354 1.790 ( -1.530 -0.275 1.421) 2.106 1.904 ( 0.454 2.168 1.892) 2.913 2.021 ( 4.265 2.001 2.580) 5.371 2.278 ( -3.924 3.816 -3.716) 6.616 2.317 ( -1.867 -1.257 -0.386) 2.284 2.365 ( 1.737 -3.274 -5.077) 6.286 2.465 ( -1.600 -3.286 0.297) 3.667 2.514 ( 5.064 0.968 1.350) 5.329 2.595 ( 1.315 0.653 3.879) 4.147 2.676 ( 1.766 -2.782 -0.616) 3.353 2.727 ( 2.482 2.544 -0.704) 3.623 2.865 ( -0.662 0.082 -0.285) 0.725 2.884 ( -0.576 -2.972 -1.421) 3.344 2.973 ( -1.707 1.788 0.926) 2.640 2.989 ( 1.417 -1.386 3.223) 3.784 3.068 ( -2.975 -1.717 -2.618) 4.319 3.135 ( 6.906 -1.741 -0.383) 7.133 3.356 ( 2.536 3.018 4.391) 5.901 3.389 ( -0.406 1.066 3.553) 3.732 3.584 ( -1.163 -1.005 -1.540) 2.176 3.608 ( 4.107 0.618 0.478) 4.181 3.738 ( 1.108 1.118 2.181) 2.690 3.861 ( -4.469 3.196 -4.634) 7.187 3.932 ( -1.000 2.013 0.902) 2.422 4.158 ( -3.996 2.231 1.827) 4.928 4.452 ( 3.796 -2.858 -0.081) 4.752 4.539 ( -3.990 -2.693 -2.013) 5.218 4.608 ( 0.565 -3.675 -3.832) 5.340 5.394 ( -0.025 -0.168 0.565) 0.590 6.320 ( -1.101 0.663 0.164) 1.296 7.927 ( 0.243 -1.770 0.451) 1.843 8.028 ( 0.074 -1.012 -1.818) 2.082 8.221 ( -2.986 -1.063 3.056) 4.403 8.455 ( 3.829 2.327 -0.159) 4.483 8.686 ( -0.131 -0.213 0.087) 0.264======================= Grid point 56 (22/100) =======================q-point: (-0.29 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( -7.637 10.726 0.060) 13.167 0.766 ( -14.371 11.070 1.393) 18.194 1.066 ( -17.871 5.522 -4.488) 19.236 1.289 ( 0.699 7.996 -5.438) 9.695 1.601 ( -3.445 0.012 2.030) 3.999 1.630 ( -5.234 -7.684 3.273) 9.857 1.758 ( 7.016 -3.803 3.606) 8.758 1.845 ( 3.475 -0.954 5.891) 6.906 1.918 ( 3.635 3.312 2.181) 5.380 2.106 ( 2.477 -0.543 1.690) 3.048 2.220 ( 0.157 -1.168 -1.333) 1.779 2.299 ( -2.496 -1.780 -2.036) 3.680 2.357 ( 4.632 -0.524 -7.219) 8.593 2.503 ( 0.477 -4.064 2.437) 4.763 2.551 ( 3.941 3.289 -3.086) 5.989 2.623 ( 1.488 1.676 -0.597) 2.319 2.727 ( 0.894 -1.317 1.581) 2.244 2.769 ( -0.386 -2.460 -3.002) 3.900 2.867 ( -0.133 -0.908 -0.870) 1.265 2.911 ( -0.377 2.112 1.246) 2.481 2.932 ( 1.012 -2.849 2.992) 4.254 3.040 ( 3.344 -1.008 2.276) 4.169 3.059 ( -1.022 -0.779 -0.176) 1.298 3.210 ( 2.105 0.859 -0.317) 2.296 3.377 ( 0.753 0.018 1.992) 2.130 3.430 ( 3.022 5.672 5.171) 8.249 3.544 ( -2.859 -0.036 -5.490) 6.190 3.624 ( 0.199 4.834 -0.458) 4.860 3.738 ( -1.043 -1.367 -3.326) 3.744 3.782 ( 0.984 -0.410 5.025) 5.137 3.880 ( -3.318 -0.714 2.412) 4.164 4.168 ( 3.337 3.680 6.476) 8.161 4.454 ( -5.151 -1.673 -3.412) 6.401 4.471 ( -1.087 0.033 -2.762) 2.968 4.657 ( 0.116 -7.466 -8.286) 11.154 5.397 ( -0.433 0.105 0.760) 0.881 6.294 ( -1.926 -0.143 -0.080) 1.933 7.955 ( 1.521 -0.793 -0.770) 1.880 8.031 ( -1.065 -1.805 1.050) 2.344 8.188 ( -4.852 -1.246 1.426) 5.209 8.494 ( 5.571 4.395 0.787) 7.139 8.686 ( -0.195 -0.342 -0.137) 0.417======================= Grid point 57 (23/100) =======================q-point: (-0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.377 ( -10.821 7.943 9.097) 16.215 0.403 ( -15.620 7.076 6.453) 18.321 0.668 ( -18.186 15.102 15.348) 28.184 1.254 ( 6.189 3.348 -4.710) 8.467 1.564 ( -3.100 0.978 3.263) 4.606 1.665 ( -6.010 -11.623 1.476) 13.168 1.889 ( 1.988 -1.432 -1.734) 3.002 1.934 ( 1.243 0.632 0.721) 1.570 1.949 ( 1.013 0.474 0.591) 1.265 2.182 ( 2.041 -3.767 0.778) 4.355 2.224 ( 2.791 -1.031 -1.824) 3.490 2.308 ( 4.741 0.732 1.790) 5.121 2.398 ( 3.648 0.889 -5.414) 6.589 2.426 ( -6.872 -1.947 -9.765) 12.098 2.611 ( 4.610 2.571 0.829) 5.343 2.670 ( 4.270 -0.612 3.560) 5.593 2.742 ( -1.481 -0.314 -0.368) 1.558 2.763 ( 0.355 -1.403 0.059) 1.448 2.843 ( -1.615 1.873 -3.712) 4.460 2.895 ( -0.255 -0.025 3.374) 3.384 2.988 ( -1.909 0.816 0.649) 2.175 3.059 ( 0.871 -2.802 2.182) 3.657 3.148 ( 4.816 -0.780 0.251) 4.885 3.232 ( 3.697 0.973 3.571) 5.231 3.349 ( -4.346 3.018 -3.622) 6.412 3.424 ( 1.556 1.450 0.997) 2.349 3.474 ( -1.379 -2.057 2.069) 3.227 3.606 ( 2.913 5.447 0.931) 6.247 3.753 ( -1.704 -5.682 -0.526) 5.956 3.814 ( 0.932 -0.301 1.490) 1.784 3.967 ( 3.870 -4.494 11.581) 13.011 4.245 ( 9.082 8.796 6.470) 14.203 4.359 ( -5.164 0.363 -5.678) 7.684 4.436 ( -0.174 0.150 -0.929) 0.957 4.548 ( -10.618 -3.116 -14.353) 18.123 5.389 ( -0.810 0.205 0.241) 0.870 6.284 ( 0.045 -1.223 5.731) 5.860 7.978 ( 2.434 0.536 -1.411) 2.864 8.056 ( -1.756 -3.008 2.894) 4.529 8.132 ( -6.057 -4.918 0.055) 7.803 8.503 ( 2.854 8.111 -7.987) 11.736 8.685 ( -0.036 -0.202 -0.397) 0.447======================= Grid point 59 (24/100) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 4.417 0.000 13.608) 14.307 0.846 ( 7.612 0.000 13.697) 15.670 1.373 ( -1.706 -0.000 1.195) 2.083 1.489 ( 0.785 0.000 -7.061) 7.105 1.530 ( -3.486 -0.000 -5.241) 6.295 1.611 ( 13.397 0.000 9.950) 16.688 1.637 ( -0.968 -0.000 3.079) 3.227 1.715 ( 1.120 0.000 0.952) 1.470 1.825 ( 7.512 0.000 4.747) 8.886 2.014 ( 1.232 0.000 -6.447) 6.564 2.238 ( 0.521 0.000 -4.413) 4.443 2.364 ( -0.004 -0.000 -4.133) 4.133 2.423 ( 1.181 0.000 1.350) 1.794 2.483 ( -4.716 -0.000 0.334) 4.727 2.502 ( -2.511 -0.000 1.020) 2.711 2.548 ( -2.120 -0.000 -1.872) 2.828 2.705 ( -3.426 -0.000 0.638) 3.485 2.800 ( -1.824 -0.000 -0.115) 1.827 2.837 ( 0.813 0.000 -1.848) 2.019 2.897 ( -4.013 -0.000 3.421) 5.273 3.031 ( -3.179 -0.000 -1.631) 3.574 3.048 ( -3.024 -0.000 -0.122) 3.027 3.073 ( 2.671 0.000 0.155) 2.675 3.253 ( 4.105 0.000 -0.500) 4.136 3.294 ( 2.273 0.000 1.635) 2.800 3.418 ( -3.934 -0.000 2.647) 4.742 3.575 ( -4.384 -0.000 -4.915) 6.586 3.620 ( -1.092 -0.000 2.836) 3.039 3.696 ( -3.741 -0.000 0.295) 3.752 3.778 ( 3.218 0.000 4.117) 5.225 3.882 ( 7.721 0.000 -0.664) 7.750 4.004 ( 4.506 0.000 0.647) 4.552 4.527 ( -1.855 -0.000 0.351) 1.888 4.553 ( 2.340 0.000 -0.289) 2.358 4.803 ( -5.979 -0.000 -6.529) 8.852 5.369 ( 0.731 0.000 -0.408) 0.837 6.485 ( -7.407 -0.000 2.869) 7.943 7.925 ( 3.295 0.000 -5.212) 6.166 7.955 ( -1.274 -0.000 -1.348) 1.855 8.143 ( 2.750 0.000 2.565) 3.761 8.315 ( 4.431 0.000 0.324) 4.443 8.690 ( 0.149 0.000 -0.254) 0.295======================= Grid point 60 (25/100) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 2.724 -2.295 8.838) 9.529 1.055 ( 4.802 -1.238 10.219) 11.359 1.333 ( -5.358 -3.994 -2.968) 7.312 1.438 ( -2.300 0.268 -0.382) 2.347 1.443 ( 2.061 0.472 -6.623) 6.952 1.641 ( -1.116 -1.791 2.845) 3.542 1.698 ( 2.099 4.679 -3.228) 6.059 1.864 ( 5.592 -1.697 3.800) 6.970 1.974 ( 2.987 4.862 -0.413) 5.721 2.022 ( 6.943 -0.201 1.113) 7.035 2.198 ( 0.819 -0.160 -4.243) 4.324 2.337 ( -5.353 0.010 -0.725) 5.401 2.399 ( 0.356 -1.067 1.418) 1.810 2.464 ( -1.437 0.413 1.797) 2.338 2.495 ( -2.143 -3.484 -0.028) 4.090 2.541 ( 2.647 -1.458 -0.482) 3.061 2.662 ( -0.428 4.754 1.820) 5.108 2.806 ( 1.556 -1.642 -0.476) 2.312 2.814 ( -1.184 -1.087 -2.534) 3.001 2.891 ( -3.371 1.632 0.577) 3.789 2.938 ( -5.179 -1.983 -0.442) 5.563 2.982 ( 1.396 1.836 -1.100) 2.555 3.071 ( -0.560 1.556 -0.353) 1.691 3.269 ( -0.490 6.421 -2.426) 6.881 3.357 ( 2.434 1.554 6.093) 6.743 3.396 ( 0.864 -1.621 2.203) 2.868 3.504 ( -0.086 -1.603 -3.906) 4.223 3.620 ( -0.785 0.986 1.960) 2.330 3.687 ( -1.921 -3.425 2.518) 4.665 3.874 ( 2.839 -1.072 4.305) 5.267 3.950 ( 2.083 -0.383 -2.766) 3.484 4.124 ( 6.531 -2.323 2.661) 7.425 4.462 ( -4.865 1.940 -1.880) 5.565 4.552 ( -1.203 0.100 -2.346) 2.638 4.638 ( -6.625 -0.091 -5.228) 8.440 5.382 ( 1.082 0.024 -0.224) 1.105 6.396 ( -4.947 1.337 2.161) 5.562 7.906 ( 1.085 1.647 -1.920) 2.752 7.968 ( 1.052 -3.365 -3.685) 5.100 8.197 ( 1.031 0.019 3.193) 3.355 8.397 ( 4.484 -1.051 -0.146) 4.608 8.688 ( -0.084 0.120 -0.113) 0.184======================= Grid point 61 (26/100) =======================q-point: (-0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( -0.902 2.884 -0.284) 3.035 1.138 ( -1.650 3.224 6.791) 7.696 1.300 ( -6.309 -8.581 -0.433) 10.659 1.395 ( -2.702 2.162 -4.769) 5.892 1.459 ( 1.216 -2.889 0.140) 3.138 1.629 ( 1.081 2.691 -2.468) 3.808 1.698 ( -0.107 -4.456 4.043) 6.018 1.803 ( -1.179 7.231 -2.765) 7.831 2.011 ( 3.516 5.873 1.866) 7.095 2.107 ( 4.932 3.599 0.077) 6.106 2.256 ( -2.155 -3.454 -0.474) 4.098 2.288 ( 2.196 -2.915 -0.338) 3.665 2.373 ( -1.262 -2.511 -1.003) 2.984 2.414 ( -6.774 4.230 -5.124) 9.488 2.518 ( 4.091 0.269 2.155) 4.632 2.554 ( -1.847 -4.687 1.133) 5.164 2.635 ( 0.733 1.556 1.833) 2.514 2.787 ( 0.875 0.551 -3.586) 3.732 2.810 ( -2.329 -2.333 -1.949) 3.829 2.885 ( 1.971 0.291 -0.637) 2.091 2.949 ( -2.392 -2.465 6.006) 6.919 3.010 ( 3.247 1.505 1.594) 3.918 3.096 ( 4.207 -0.240 2.431) 4.865 3.146 ( 1.919 7.731 -4.858) 9.330 3.406 ( 0.406 1.378 3.844) 4.103 3.437 ( 1.879 2.915 5.638) 6.619 3.560 ( 3.900 -4.361 -1.836) 6.132 3.599 ( -0.275 1.294 -1.007) 1.663 3.722 ( -1.546 -2.967 3.227) 4.648 3.885 ( -3.706 0.404 -3.457) 5.084 3.983 ( 3.124 0.745 3.143) 4.494 4.207 ( -3.364 1.630 -1.177) 3.920 4.364 ( 0.664 -2.274 0.440) 2.409 4.482 ( -6.302 -2.853 -1.977) 7.194 4.555 ( -1.750 -1.366 -4.918) 5.396 5.396 ( 0.889 0.255 0.066) 0.928 6.335 ( -3.168 0.603 1.022) 3.383 7.907 ( 1.154 0.080 -0.057) 1.158 7.991 ( 1.328 -2.265 -3.477) 4.357 8.218 ( -1.275 0.572 3.196) 3.488 8.473 ( 4.445 -0.268 -0.359) 4.468 8.684 ( -0.272 0.045 0.104) 0.295======================= Grid point 62 (27/100) =======================q-point: (-0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -3.983 7.301 -2.625) 8.721 1.013 ( -9.898 11.111 -0.559) 14.891 1.186 ( -8.417 3.380 -0.205) 9.073 1.313 ( -3.175 -5.625 -3.676) 7.432 1.502 ( -3.670 -3.301 2.872) 5.711 1.672 ( 3.939 -2.462 0.425) 4.664 1.718 ( 0.808 7.845 0.964) 7.946 1.795 ( 1.750 -2.892 6.133) 7.003 2.009 ( 3.213 4.624 -0.023) 5.630 2.119 ( 1.718 1.671 0.669) 2.488 2.207 ( -4.350 0.043 0.990) 4.462 2.241 ( -4.798 -2.359 -4.945) 7.283 2.339 ( 5.212 -0.773 -3.729) 6.455 2.415 ( -0.166 -2.125 0.243) 2.145 2.603 ( 0.474 -1.730 0.284) 1.816 2.616 ( 2.858 -0.483 -0.228) 2.908 2.662 ( 2.313 -2.627 -0.722) 3.574 2.779 ( 3.429 2.248 -3.264) 5.240 2.814 ( -1.411 -4.678 1.805) 5.209 2.899 ( 2.246 0.645 1.708) 2.895 2.987 ( -0.934 -2.311 -1.120) 2.733 3.002 ( -1.600 3.677 3.018) 5.019 3.084 ( 5.711 4.355 0.292) 7.188 3.220 ( 4.055 -0.147 -0.749) 4.127 3.414 ( 0.640 2.024 1.887) 2.840 3.501 ( 2.558 1.570 4.812) 5.671 3.553 ( 0.509 1.542 -2.080) 2.639 3.677 ( 4.553 -2.526 0.453) 5.227 3.746 ( -1.687 0.500 -4.335) 4.678 3.766 ( -4.981 0.094 4.175) 6.499 3.925 ( -5.886 4.856 -0.540) 7.649 4.192 ( 2.857 -1.072 5.322) 6.135 4.391 ( -6.088 -4.076 -2.397) 7.708 4.454 ( 1.154 -3.045 -1.222) 3.478 4.504 ( -3.195 -3.664 -4.793) 6.827 5.404 ( 0.420 0.547 0.323) 0.762 6.291 ( -2.812 -0.138 0.239) 2.825 7.936 ( 1.256 -0.703 1.488) 2.070 8.005 ( 1.234 -0.891 -2.647) 3.053 8.193 ( -3.337 1.326 2.530) 4.393 8.540 ( 4.710 0.261 -1.069) 4.837 8.681 ( -0.334 -0.115 0.142) 0.381======================= Grid point 63 (28/100) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( -9.836 10.495 2.604) 14.617 0.681 ( -5.017 15.876 -1.137) 16.688 1.033 ( -5.965 13.082 10.451) 17.775 1.317 ( 0.738 -4.434 -4.452) 6.327 1.452 ( -5.866 -0.853 2.660) 6.497 1.633 ( -1.774 5.668 2.872) 6.597 1.804 ( 2.587 -6.636 0.581) 7.146 1.887 ( -0.019 -2.873 1.200) 3.114 1.994 ( 1.207 3.112 -3.195) 4.621 2.128 ( -0.035 0.050 2.369) 2.370 2.180 ( 0.287 -2.451 -4.575) 5.198 2.259 ( 2.960 -4.735 3.400) 6.537 2.367 ( -2.955 -1.431 -4.204) 5.334 2.433 ( 2.896 0.008 -3.125) 4.260 2.603 ( 0.475 -1.784 4.403) 4.774 2.657 ( 0.013 -2.778 -1.561) 3.187 2.724 ( 3.122 0.017 -1.482) 3.456 2.782 ( 4.163 2.481 -3.382) 5.909 2.843 ( 0.451 -1.490 -1.782) 2.366 2.897 ( -1.629 1.764 -3.197) 3.998 2.976 ( 1.536 -2.271 2.484) 3.700 3.059 ( 0.005 0.718 6.226) 6.267 3.147 ( 6.002 1.302 -0.543) 6.165 3.236 ( 0.180 0.891 0.792) 1.206 3.402 ( -1.497 1.886 -1.541) 2.859 3.470 ( 0.065 1.444 -3.316) 3.617 3.556 ( -3.100 7.338 -0.260) 7.970 3.609 ( -1.182 -2.159 -2.009) 3.177 3.743 ( 3.541 1.183 -0.250) 3.742 3.809 ( -1.166 0.477 2.519) 2.816 3.885 ( 0.190 -3.744 8.620) 9.400 4.289 ( 0.714 -2.618 1.433) 3.069 4.365 ( 1.501 -1.365 1.771) 2.692 4.432 ( -3.554 -1.464 -2.847) 4.783 4.461 ( -2.843 -2.546 -3.389) 5.104 5.400 ( -0.258 0.793 0.063) 0.837 6.260 ( -1.873 -0.850 1.666) 2.647 7.979 ( 0.328 -1.236 2.764) 3.045 8.008 ( 1.281 0.469 -1.840) 2.290 8.127 ( -4.503 1.949 1.639) 5.173 8.586 ( 3.703 0.647 -5.170) 6.392 8.679 ( -0.079 -0.217 -0.018) 0.232======================= Grid point 64 (29/100) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.513 ( 3.435 12.628 10.829) 16.986 0.550 ( 4.991 9.925 14.084) 17.938 0.906 ( 0.866 17.877 21.085) 27.657 1.348 ( 4.845 2.102 -3.132) 6.141 1.447 ( -3.155 -8.303 1.116) 8.952 1.583 ( -2.436 2.584 4.007) 5.355 1.813 ( -3.533 -1.924 -5.873) 7.118 1.875 ( -4.988 -3.399 -5.007) 7.842 1.931 ( -1.452 2.810 -3.714) 4.878 2.142 ( -2.086 -2.418 -5.527) 6.383 2.211 ( -0.950 -1.944 -2.301) 3.158 2.243 ( 1.394 -2.088 0.394) 2.542 2.430 ( 5.132 0.737 -1.734) 5.467 2.503 ( 5.524 -1.789 6.226) 8.513 2.618 ( -3.684 -0.371 -2.757) 4.617 2.685 ( -0.774 -2.509 1.309) 2.934 2.718 ( 1.574 -1.694 -0.264) 2.327 2.767 ( -1.106 4.998 -6.474) 8.253 2.849 ( 2.025 0.970 -1.020) 2.466 2.889 ( -0.203 -3.412 1.528) 3.744 2.997 ( -1.247 -0.031 0.815) 1.490 3.087 ( -0.490 1.992 4.663) 5.094 3.183 ( -0.503 -0.210 -1.216) 1.333 3.278 ( 0.772 -3.881 1.778) 4.339 3.308 ( -1.556 2.363 0.141) 2.833 3.403 ( -4.734 3.218 -4.612) 7.351 3.498 ( 5.128 1.071 0.732) 5.289 3.628 ( -0.359 -2.946 0.362) 2.990 3.734 ( 0.421 5.060 -0.112) 5.078 3.800 ( -2.854 -1.333 -1.031) 3.315 3.925 ( -7.165 -0.285 3.343) 7.912 4.192 ( -8.682 4.150 -7.864) 12.427 4.372 ( 2.418 -3.594 1.473) 4.575 4.480 ( 2.742 0.564 3.440) 4.435 4.622 ( 14.931 -7.289 5.272) 17.431 5.382 ( -0.587 0.707 -0.349) 0.983 6.337 ( 3.773 -7.179 6.526) 10.410 7.977 ( -4.912 -0.308 1.478) 5.139 8.022 ( 1.594 0.875 -0.208) 1.830 8.060 ( -0.797 1.785 1.519) 2.475 8.493 ( -2.003 8.040 -12.085) 14.652 8.683 ( 0.186 -0.266 -0.173) 0.368======================= Grid point 67 (30/100) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 0.508 0.000 1.644) 1.721 1.175 ( -7.082 -0.000 0.726) 7.120 1.187 ( 2.390 0.000 7.764) 8.124 1.417 ( -1.758 -0.000 1.114) 2.081 1.426 ( -0.195 -0.000 -5.192) 5.195 1.644 ( -0.137 -0.000 3.132) 3.135 1.680 ( -1.188 -0.000 -3.406) 3.607 1.896 ( 0.707 0.000 -4.440) 4.496 2.083 ( 2.422 0.000 0.486) 2.470 2.193 ( 8.380 0.000 5.886) 10.241 2.202 ( 2.152 0.000 -3.585) 4.182 2.209 ( -3.849 -0.000 -1.248) 4.047 2.351 ( 0.038 0.000 -1.467) 1.467 2.404 ( -1.959 -0.000 -2.682) 3.321 2.536 ( 1.589 0.000 2.613) 3.058 2.550 ( -4.385 -0.000 -1.457) 4.621 2.667 ( -2.852 -0.000 -1.554) 3.248 2.716 ( -0.400 -0.000 -0.798) 0.892 2.846 ( -0.868 -0.000 -2.044) 2.220 2.879 ( 4.395 0.000 -0.356) 4.409 2.916 ( -3.810 -0.000 5.153) 6.408 3.027 ( 2.765 0.000 1.554) 3.171 3.073 ( 3.973 0.000 3.612) 5.370 3.339 ( 0.975 0.000 -4.736) 4.835 3.416 ( 5.979 0.000 -0.871) 6.042 3.442 ( 0.087 0.000 4.564) 4.565 3.483 ( 1.117 0.000 2.925) 3.131 3.623 ( -1.108 -0.000 0.584) 1.252 3.657 ( -2.236 -0.000 4.684) 5.191 3.890 ( -3.275 -0.000 -2.929) 4.393 3.983 ( 4.960 0.000 1.745) 5.258 4.211 ( 2.950 0.000 0.829) 3.064 4.387 ( -3.960 -0.000 -1.552) 4.254 4.418 ( -10.401 -0.000 -2.219) 10.635 4.540 ( -1.353 -0.000 -5.222) 5.395 5.400 ( 1.293 0.000 -0.268) 1.320 6.342 ( -4.226 -0.000 1.482) 4.478 7.920 ( -0.269 -0.000 -0.129) 0.298 7.951 ( 3.957 0.000 -4.406) 5.922 8.228 ( -0.654 -0.000 3.344) 3.408 8.465 ( 4.648 0.000 -0.234) 4.654 8.685 ( -0.327 -0.000 0.075) 0.335======================= Grid point 68 (31/100) =======================q-point: (-0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( -4.771 -0.448 -6.447) 8.033 1.165 ( -2.868 -1.465 7.724) 8.369 1.216 ( -2.739 5.273 4.078) 7.207 1.293 ( -7.705 2.223 -5.259) 9.590 1.409 ( -2.347 -3.964 0.822) 4.680 1.648 ( -1.220 -0.307 -0.335) 1.302 1.723 ( 4.815 -1.261 3.201) 5.918 1.864 ( 2.383 2.815 -0.934) 3.805 2.086 ( -1.843 0.857 -3.419) 3.978 2.117 ( -0.280 -0.894 -0.757) 1.204 2.183 ( -0.328 -0.005 -3.551) 3.566 2.298 ( -1.117 4.058 -1.988) 4.655 2.345 ( -2.662 1.151 -2.123) 3.594 2.392 ( 2.216 -1.419 -2.017) 3.315 2.531 ( 4.604 -1.365 4.824) 6.807 2.597 ( 4.293 -1.754 0.564) 4.672 2.670 ( 1.024 1.505 0.162) 1.828 2.715 ( -1.973 -3.024 2.235) 4.247 2.823 ( 1.592 2.268 -0.388) 2.798 2.893 ( -1.970 -2.056 -0.030) 2.848 2.917 ( 1.755 -1.314 1.868) 2.880 3.085 ( 0.560 1.731 2.485) 3.079 3.194 ( 4.141 -0.652 -1.322) 4.396 3.255 ( 4.420 7.997 -2.801) 9.557 3.468 ( 1.763 2.708 2.994) 4.405 3.522 ( 0.550 0.021 2.231) 2.298 3.539 ( 1.933 -5.096 -1.145) 5.569 3.610 ( 1.037 -0.202 0.491) 1.165 3.688 ( -1.735 -3.240 5.673) 6.760 3.795 ( -3.491 0.716 -3.647) 5.100 4.037 ( -2.428 3.261 -0.235) 4.073 4.165 ( -1.945 0.227 -1.277) 2.338 4.291 ( -6.474 -4.104 0.405) 7.676 4.381 ( 0.740 -1.837 0.638) 2.080 4.480 ( -2.009 -0.265 -3.602) 4.133 5.416 ( 1.105 0.363 -0.205) 1.181 6.289 ( -3.533 -0.042 0.595) 3.583 7.923 ( 0.152 -0.429 1.154) 1.241 7.992 ( 4.259 -0.237 -3.377) 5.441 8.224 ( -2.361 0.975 2.989) 3.932 8.532 ( 3.990 -0.426 -0.956) 4.125 8.680 ( -0.445 0.018 0.279) 0.525======================= Grid point 69 (32/100) =======================q-point: (-0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( -4.191 2.139 -0.493) 4.731 0.998 ( -4.496 11.383 -6.005) 13.632 1.173 ( -4.827 -1.204 0.134) 4.976 1.203 ( -1.606 2.335 9.015) 9.450 1.444 ( -2.062 -3.355 2.733) 4.793 1.652 ( -0.070 -4.423 0.005) 4.424 1.825 ( 2.338 0.447 1.254) 2.691 1.852 ( -0.004 5.914 0.377) 5.926 2.042 ( -0.384 -1.068 -3.257) 3.449 2.136 ( -1.151 1.074 -0.527) 1.660 2.147 ( 2.656 -0.490 -2.758) 3.860 2.205 ( -0.206 1.795 3.161) 3.641 2.345 ( 1.799 -1.332 -3.094) 3.819 2.390 ( -0.897 -1.249 -1.383) 2.068 2.601 ( -1.404 0.287 -0.670) 1.582 2.629 ( 0.708 0.902 -0.756) 1.374 2.693 ( 3.723 -2.069 1.313) 4.457 2.778 ( 0.044 -3.439 1.894) 3.926 2.846 ( 3.653 2.277 -1.431) 4.536 2.912 ( 1.069 -2.299 1.601) 2.999 2.959 ( -3.527 1.917 -5.651) 6.932 3.037 ( 1.484 -1.276 4.231) 4.662 3.222 ( 4.696 3.463 -0.281) 5.841 3.280 ( 4.103 3.610 -0.712) 5.511 3.457 ( -0.091 3.072 -3.443) 4.615 3.496 ( -0.931 0.759 -1.099) 1.627 3.561 ( -0.586 -2.193 -1.344) 2.638 3.692 ( -4.231 0.960 0.757) 4.404 3.716 ( 1.550 -1.668 -0.004) 2.277 3.759 ( 0.914 -3.220 4.278) 5.432 3.892 ( -4.539 4.040 2.889) 6.728 4.181 ( -1.667 -6.053 -1.518) 6.459 4.298 ( -0.402 -3.521 1.885) 4.014 4.396 ( -1.087 -0.701 -0.372) 1.346 4.447 ( 0.048 -0.130 0.713) 0.727 5.420 ( 0.476 0.889 -0.266) 1.043 6.246 ( -2.341 -0.411 0.358) 2.404 7.948 ( -0.182 -1.238 2.396) 2.703 8.031 ( 3.858 1.017 -2.199) 4.556 8.181 ( -3.316 2.269 2.273) 4.616 8.580 ( 2.620 -0.681 -2.692) 3.818 8.676 ( -0.293 -0.061 0.265) 0.399======================= Grid point 70 (33/100) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 5.086 8.187 9.581) 13.590 0.819 ( 1.469 10.714 -1.576) 10.928 1.148 ( -1.756 -1.165 4.358) 4.841 1.267 ( 3.253 0.236 7.514) 8.191 1.435 ( -1.591 0.986 1.196) 2.222 1.682 ( -1.145 2.267 -2.139) 3.321 1.770 ( -1.422 0.634 2.402) 2.863 1.801 ( -3.884 0.181 -3.442) 5.192 2.006 ( 0.567 3.264 -4.822) 5.850 2.101 ( -0.628 -0.827 -3.180) 3.346 2.175 ( 0.382 0.008 3.415) 3.436 2.241 ( -0.661 1.010 -1.640) 2.037 2.398 ( 6.803 -2.541 -1.484) 7.412 2.437 ( 2.230 -4.593 4.112) 6.556 2.592 ( -1.210 -2.050 3.644) 4.353 2.610 ( -1.571 -0.780 -4.332) 4.673 2.724 ( -2.067 0.731 -4.463) 4.972 2.785 ( -2.708 -2.555 -4.611) 5.926 2.830 ( 1.412 -2.148 1.031) 2.770 2.894 ( 1.513 1.669 -2.166) 3.125 2.960 ( -2.195 -2.193 2.506) 3.988 3.092 ( -0.790 -1.023 1.595) 2.053 3.225 ( 0.481 4.797 0.301) 4.830 3.289 ( 2.339 3.351 0.758) 4.156 3.390 ( 1.196 3.672 -3.982) 5.547 3.454 ( -2.721 0.104 -7.547) 8.023 3.545 ( -0.473 2.514 1.336) 2.886 3.600 ( 1.132 0.648 0.846) 1.555 3.757 ( -0.591 -2.586 -2.134) 3.404 3.791 ( -4.025 -1.506 1.225) 4.469 3.893 ( -0.036 0.155 7.060) 7.062 4.241 ( -4.731 -0.286 -2.834) 5.523 4.268 ( 1.531 -4.777 -0.531) 5.044 4.471 ( 4.135 -5.569 3.416) 7.732 4.492 ( 3.395 0.266 5.212) 6.226 5.406 ( -0.283 1.333 -0.462) 1.438 6.248 ( 0.549 -2.033 1.788) 2.763 7.970 ( -1.251 -0.555 2.389) 2.754 8.054 ( 2.101 1.666 -1.055) 2.882 8.118 ( -1.788 2.989 1.930) 3.983 8.570 ( -0.010 0.839 -5.982) 6.041 8.677 ( 0.001 -0.200 0.089) 0.219======================= Grid point 71 (34/100) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.777 ( 4.960 8.798 4.758) 11.164 0.867 ( 6.353 9.041 12.400) 16.609 1.235 ( 5.480 -1.313 9.770) 11.278 1.378 ( 4.744 -1.369 -1.836) 5.268 1.460 ( 4.765 0.642 4.419) 6.530 1.605 ( -2.102 1.832 0.821) 2.907 1.684 ( -4.465 1.974 -3.708) 6.130 1.766 ( -1.067 1.384 0.661) 1.868 1.917 ( -0.842 4.951 -4.189) 6.540 2.035 ( -2.904 0.222 -4.629) 5.469 2.215 ( 2.054 -0.452 0.029) 2.104 2.253 ( 2.165 -2.311 -0.529) 3.210 2.433 ( -1.660 -1.285 -3.302) 3.913 2.526 ( -3.649 -1.541 -0.940) 4.072 2.581 ( 2.454 -1.896 0.529) 3.146 2.650 ( -0.778 -2.218 2.200) 3.219 2.731 ( 1.048 -4.092 -1.060) 4.355 2.743 ( 0.804 -1.837 -2.075) 2.886 2.806 ( -3.249 -0.085 -2.983) 4.411 2.883 ( -1.623 1.378 0.148) 2.134 2.948 ( -2.491 -2.303 1.752) 3.818 3.070 ( -3.420 1.175 0.739) 3.691 3.166 ( -2.405 2.093 2.462) 4.028 3.301 ( -4.865 1.888 1.185) 5.351 3.315 ( 2.204 1.892 -3.284) 4.384 3.347 ( 0.295 1.162 -3.112) 3.335 3.575 ( 2.857 -0.611 -3.067) 4.236 3.635 ( 2.039 0.444 0.770) 2.224 3.703 ( -5.612 -0.614 0.135) 5.647 3.804 ( 4.278 -0.231 1.093) 4.422 3.941 ( 1.909 3.835 6.486) 7.773 4.062 ( -6.008 3.404 -5.842) 9.045 4.410 ( 5.178 -4.030 2.207) 6.922 4.532 ( -0.085 -1.194 1.433) 1.867 4.681 ( 3.571 -8.183 1.971) 9.144 5.383 ( -0.244 1.140 -0.321) 1.209 6.336 ( 1.330 -5.906 3.129) 6.815 7.943 ( -2.537 1.918 1.003) 3.335 8.038 ( 0.676 1.233 -1.497) 2.054 8.121 ( 1.926 1.904 2.924) 3.986 8.467 ( -1.209 5.008 -6.984) 8.679 8.681 ( 0.132 -0.271 0.034) 0.303======================= Grid point 75 (35/100) =======================q-point: ( 0.43 -0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -2.580 -0.000 -4.305) 5.019 1.147 ( -4.638 -0.000 -2.368) 5.207 1.174 ( -5.723 -0.000 0.301) 5.730 1.254 ( -2.304 -0.000 5.308) 5.787 1.363 ( -0.061 -0.000 5.143) 5.143 1.609 ( -1.232 -0.000 0.626) 1.382 1.808 ( 1.996 0.000 1.705) 2.625 1.926 ( 3.152 0.000 -3.625) 4.804 2.004 ( -1.130 -0.000 0.345) 1.181 2.132 ( 3.601 0.000 -2.520) 4.395 2.187 ( 1.166 0.000 -0.607) 1.314 2.232 ( -6.029 -0.000 -0.402) 6.042 2.356 ( 2.758 0.000 -0.589) 2.820 2.371 ( 1.352 0.000 -5.167) 5.341 2.597 ( 0.313 0.000 -4.094) 4.106 2.634 ( 1.942 0.000 2.366) 3.061 2.691 ( -1.172 -0.000 2.405) 2.675 2.727 ( 0.198 0.000 3.421) 3.427 2.866 ( 0.494 0.000 2.964) 3.005 2.895 ( 3.115 0.000 0.813) 3.220 2.960 ( 1.005 0.000 -2.296) 2.506 3.035 ( -2.407 -0.000 -4.196) 4.837 3.252 ( 4.689 0.000 0.942) 4.782 3.367 ( 4.413 0.000 0.146) 4.416 3.494 ( -2.838 -0.000 -2.098) 3.529 3.495 ( 0.970 0.000 -3.737) 3.861 3.557 ( -0.839 -0.000 4.511) 4.588 3.595 ( -0.664 -0.000 -1.126) 1.307 3.705 ( -0.434 -0.000 4.842) 4.862 3.757 ( 0.795 0.000 -2.268) 2.404 3.984 ( -6.848 -0.000 1.775) 7.074 4.073 ( -2.517 -0.000 -2.677) 3.675 4.253 ( 0.297 0.000 2.196) 2.216 4.390 ( 0.228 0.000 0.416) 0.475 4.446 ( -0.192 -0.000 1.067) 1.084 5.432 ( 0.815 0.000 -0.460) 0.936 6.241 ( -2.480 -0.000 0.121) 2.483 7.933 ( -0.017 -0.000 2.323) 2.323 8.043 ( 4.504 0.000 -2.391) 5.099 8.209 ( -3.042 -0.000 2.553) 3.971 8.570 ( 2.364 0.000 -1.836) 2.993 8.676 ( -0.430 -0.000 0.426) 0.605======================= Grid point 77 (36/100) =======================q-point: (-0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( 4.959 -3.215 -1.905) 6.210 0.990 ( -2.974 5.925 -3.779) 7.631 1.166 ( 0.816 1.380 3.899) 4.215 1.267 ( -0.252 -0.125 7.642) 7.647 1.415 ( -1.037 -1.478 3.231) 3.701 1.640 ( 1.085 -1.413 2.233) 2.856 1.780 ( -4.042 0.284 -2.758) 4.902 1.884 ( -0.652 0.558 -3.043) 3.162 2.069 ( 4.260 3.199 3.175) 6.202 2.141 ( 0.648 2.657 -1.589) 3.162 2.177 ( 0.173 -0.313 0.235) 0.428 2.246 ( 2.399 -1.804 2.511) 3.914 2.370 ( 5.429 -0.360 -3.998) 6.752 2.382 ( 1.400 1.821 -0.211) 2.307 2.576 ( -0.578 -0.644 -1.728) 1.933 2.615 ( -2.880 1.116 -1.829) 3.590 2.697 ( -1.249 -1.750 1.893) 2.864 2.721 ( -5.478 -2.710 -3.384) 6.986 2.801 ( -4.519 -0.257 -7.053) 8.380 2.909 ( -0.288 0.333 0.612) 0.754 2.925 ( 0.261 -1.041 3.204) 3.378 3.076 ( 2.083 -0.467 -1.589) 2.662 3.348 ( 4.889 4.631 4.506) 8.103 3.381 ( 0.031 3.362 0.288) 3.374 3.431 ( -0.230 1.038 -4.726) 4.844 3.469 ( -2.245 2.249 -4.019) 5.123 3.527 ( 0.726 -3.044 -1.047) 3.300 3.603 ( -2.958 -4.579 -0.601) 5.484 3.694 ( -2.175 0.274 0.310) 2.214 3.762 ( -1.060 -0.196 -1.250) 1.651 3.937 ( 1.940 2.879 6.369) 7.254 4.124 ( 3.770 -5.622 2.029) 7.067 4.244 ( -3.332 -0.507 -1.433) 3.662 4.391 ( -0.341 -1.525 -0.075) 1.565 4.498 ( 2.909 0.138 5.650) 6.356 5.431 ( 0.088 0.700 -0.557) 0.899 6.223 ( -0.080 -0.498 0.101) 0.514 7.958 ( -0.218 -0.376 3.384) 3.412 8.083 ( 2.784 0.761 -1.721) 3.360 8.172 ( -2.602 1.425 2.251) 3.724 8.574 ( 0.212 -0.105 -3.049) 3.058 8.674 ( -0.179 -0.051 0.409) 0.449======================= Grid point 78 (37/100) =======================q-point: (-0.29 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( 2.266 -2.680 -8.304) 9.015 1.007 ( 8.933 2.008 9.803) 13.414 1.174 ( 0.261 2.849 4.766) 5.559 1.388 ( 3.361 -1.244 4.127) 5.466 1.422 ( 0.167 -2.179 1.455) 2.626 1.625 ( -3.179 0.156 -3.750) 4.919 1.718 ( -0.822 -0.273 2.300) 2.458 1.853 ( 0.183 5.200 1.443) 5.400 2.041 ( 0.448 5.754 -1.972) 6.099 2.147 ( 1.522 8.499 -1.351) 8.740 2.188 ( 0.258 -1.865 2.117) 2.833 2.256 ( 3.163 1.505 -0.848) 3.604 2.379 ( -1.279 -2.222 -1.456) 2.949 2.482 ( -7.143 -1.544 -5.169) 8.951 2.523 ( 6.984 -3.465 1.836) 8.010 2.581 ( -0.590 -2.406 -0.606) 2.551 2.632 ( 0.027 -3.270 -3.833) 5.038 2.695 ( -2.758 -1.866 -0.079) 3.331 2.774 ( -3.195 -2.990 -0.458) 4.400 2.897 ( 0.229 -0.709 0.750) 1.057 2.947 ( -1.185 1.325 1.182) 2.135 3.078 ( -0.420 -0.323 0.203) 0.567 3.278 ( -3.169 6.429 -0.593) 7.192 3.305 ( -6.900 -1.059 -4.321) 8.210 3.359 ( 1.397 4.205 -0.799) 4.502 3.434 ( -1.038 4.025 -1.907) 4.574 3.541 ( -0.171 -2.387 -3.383) 4.144 3.635 ( -0.119 -1.991 2.113) 2.905 3.696 ( -3.200 -0.244 -1.870) 3.715 3.743 ( 5.542 -3.151 0.922) 6.441 4.029 ( 5.148 3.816 6.916) 9.429 4.129 ( -5.141 2.648 -3.572) 6.797 4.303 ( 6.508 -5.776 2.942) 9.186 4.424 ( -1.484 -6.259 -1.092) 6.525 4.599 ( 3.245 -0.420 5.853) 6.705 5.413 ( -0.325 1.324 -0.339) 1.404 6.254 ( 1.766 -2.013 0.571) 2.738 7.975 ( -1.194 0.843 3.390) 3.692 8.072 ( -0.396 1.531 -1.773) 2.376 8.159 ( 0.724 1.331 2.860) 3.237 8.527 ( -1.558 1.104 -4.429) 4.823 8.677 ( 0.078 -0.088 0.301) 0.323======================= Grid point 79 (38/100) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 1.448 -2.855 -1.445) 3.512 1.100 ( -1.060 6.528 8.641) 10.881 1.309 ( 8.649 -5.932 2.955) 10.896 1.394 ( 1.107 -1.192 -3.384) 3.755 1.469 ( 0.687 -0.252 -3.568) 3.642 1.608 ( 0.077 -1.282 3.614) 3.836 1.730 ( -0.232 4.472 -0.257) 4.485 1.824 ( 1.747 1.775 3.638) 4.409 1.956 ( -3.217 5.465 -0.514) 6.363 2.019 ( 0.040 5.373 -3.248) 6.278 2.221 ( 0.289 -1.140 0.183) 1.191 2.301 ( 5.101 3.318 -2.120) 6.444 2.380 ( 1.681 -2.043 0.773) 2.756 2.433 ( -2.153 -5.349 -0.288) 5.773 2.539 ( -4.442 0.608 -2.202) 4.995 2.629 ( 1.209 -4.920 1.829) 5.386 2.651 ( -4.102 0.696 0.849) 4.247 2.718 ( 1.256 -2.628 -2.720) 3.985 2.790 ( 4.768 -4.588 -0.647) 6.648 2.879 ( -2.434 3.127 -1.472) 4.228 2.932 ( -0.480 0.155 3.136) 3.176 3.060 ( -2.140 3.105 1.000) 3.901 3.137 ( -6.648 0.670 -0.887) 6.741 3.228 ( -0.017 0.707 -1.227) 1.416 3.316 ( -4.995 1.527 -1.598) 5.462 3.356 ( 0.344 0.982 1.275) 1.646 3.544 ( 1.486 -1.589 -4.668) 5.150 3.633 ( -1.928 -0.684 -0.302) 2.068 3.680 ( 1.138 -0.425 1.009) 1.579 3.881 ( 4.657 -2.382 1.112) 5.348 3.974 ( -3.954 3.012 -1.430) 5.172 4.141 ( 7.135 5.537 4.703) 10.182 4.434 ( -4.164 -5.861 -2.630) 7.656 4.471 ( 5.088 -3.520 1.526) 6.373 4.673 ( 0.077 -1.313 1.836) 2.258 5.392 ( -0.150 1.217 0.006) 1.226 6.316 ( 0.812 -3.312 0.977) 3.547 7.944 ( -2.011 2.739 1.658) 3.781 8.047 ( 0.690 0.647 -2.036) 2.245 8.189 ( 0.866 1.211 4.006) 4.274 8.448 ( -0.862 2.080 -4.282) 4.838 8.682 ( 0.145 -0.080 0.180) 0.245======================= Grid point 84 (39/100) =======================q-point: (-0.43 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 4.102 0.000 -12.447) 13.105 1.028 ( 4.370 0.000 7.771) 8.915 1.238 ( -1.619 -0.000 5.034) 5.288 1.355 ( 6.243 0.000 5.585) 8.377 1.398 ( -2.019 -0.000 -0.595) 2.105 1.620 ( -2.339 -0.000 -1.865) 2.992 1.729 ( -0.717 -0.000 1.741) 1.883 1.904 ( 2.850 0.000 1.950) 3.454 2.129 ( -1.789 -0.000 -1.520) 2.348 2.148 ( 0.741 0.000 2.708) 2.807 2.263 ( 0.601 0.000 -1.287) 1.420 2.283 ( 5.176 0.000 -0.313) 5.185 2.373 ( -1.039 -0.000 0.489) 1.148 2.444 ( 0.713 0.000 -8.354) 8.384 2.469 ( -1.859 -0.000 -3.076) 3.594 2.577 ( -0.595 -0.000 2.672) 2.738 2.595 ( 0.369 0.000 -4.038) 4.055 2.664 ( -2.910 -0.000 0.893) 3.044 2.735 ( -1.344 -0.000 -1.111) 1.744 2.890 ( -1.160 -0.000 0.748) 1.380 2.957 ( -0.440 -0.000 2.855) 2.888 3.068 ( 0.020 0.000 -1.019) 1.020 3.275 ( -8.963 -0.000 -3.035) 9.463 3.389 ( -1.507 -0.000 -4.451) 4.700 3.457 ( -0.757 -0.000 -6.450) 6.494 3.464 ( -1.623 -0.000 1.615) 2.289 3.515 ( -0.745 -0.000 -2.928) 3.021 3.558 ( 2.385 0.000 7.282) 7.663 3.674 ( -1.674 -0.000 2.261) 2.814 3.727 ( 2.684 0.000 -4.253) 5.029 4.093 ( 3.993 0.000 4.856) 6.287 4.178 ( 0.057 0.000 -0.544) 0.547 4.190 ( 5.048 0.000 2.796) 5.771 4.348 ( -1.602 -0.000 -1.750) 2.373 4.598 ( 2.829 0.000 6.064) 6.691 5.430 ( -0.288 -0.000 -0.362) 0.462 6.233 ( 1.718 0.000 -0.204) 1.730 7.983 ( -0.355 -0.000 4.382) 4.396 8.091 ( -0.604 -0.000 -1.988) 2.077 8.175 ( -0.246 -0.000 2.748) 2.759 8.537 ( -1.700 -0.000 -3.127) 3.560 8.677 ( 0.071 0.000 0.437) 0.442======================= Grid point 86 (40/100) =======================q-point: (-0.29 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 1.491 -4.723 -9.827) 11.005 1.183 ( -7.299 1.126 3.123) 8.019 1.230 ( 9.935 -1.438 8.884) 13.405 1.346 ( -2.848 -2.334 -4.237) 5.614 1.474 ( 4.759 0.760 1.002) 4.922 1.584 ( -0.699 -0.456 0.038) 0.836 1.794 ( 2.822 2.287 5.618) 6.690 1.931 ( 1.187 4.557 0.848) 4.784 2.067 ( -5.050 3.044 -3.153) 6.687 2.087 ( -6.150 0.853 -7.388) 9.650 2.209 ( 1.904 -0.499 1.151) 2.280 2.272 ( 0.785 -3.270 -3.440) 4.810 2.305 ( -2.437 -3.395 -2.162) 4.705 2.472 ( 5.376 6.176 -0.033) 8.188 2.556 ( -0.246 0.966 -0.242) 1.026 2.603 ( 1.340 -3.766 -3.139) 5.083 2.614 ( -1.484 0.701 7.629) 7.803 2.665 ( 6.825 -0.759 1.235) 6.977 2.714 ( -0.636 -1.721 -1.647) 2.465 2.894 ( -0.375 -0.261 1.548) 1.614 2.945 ( -1.436 -0.046 0.879) 1.685 3.081 ( -0.453 -1.204 1.958) 2.343 3.134 ( -6.454 0.050 -0.711) 6.493 3.299 ( -1.684 2.932 -4.491) 5.622 3.362 ( -4.974 1.918 -4.583) 7.030 3.406 ( -1.114 2.866 0.135) 3.078 3.510 ( 0.653 -1.424 -2.297) 2.780 3.587 ( -1.351 -0.961 2.306) 2.840 3.680 ( -0.574 -0.771 0.776) 1.235 3.814 ( 4.700 -2.815 -0.616) 5.513 4.029 ( -4.011 1.937 -1.389) 4.666 4.223 ( -0.006 -0.125 -0.057) 0.137 4.327 ( 4.751 -0.048 1.672) 5.037 4.394 ( 6.853 -3.600 2.425) 8.112 4.664 ( 0.601 0.032 3.268) 3.323 5.417 ( -0.493 0.741 -0.023) 0.891 6.269 ( 2.001 -1.005 -0.112) 2.242 8.000 ( -1.309 1.798 3.989) 4.567 8.053 ( -0.943 -0.054 -2.100) 2.302 8.203 ( 0.537 0.145 3.812) 3.853 8.473 ( -2.632 0.422 -3.423) 4.338 8.682 ( 0.240 0.034 0.327) 0.407======================= Grid point 87 (41/100) =======================q-point: (-0.14 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -1.091 -7.973 -4.246) 9.099 1.070 ( -8.615 -1.696 2.295) 9.075 1.321 ( -1.664 -5.877 -4.452) 7.558 1.465 ( 8.409 -0.649 7.150) 11.057 1.525 ( 5.347 2.928 -1.350) 6.244 1.612 ( 0.827 -1.078 3.503) 3.757 1.711 ( -6.444 4.061 -4.455) 8.824 1.866 ( -7.837 -0.412 -4.556) 9.074 1.935 ( 2.771 5.878 2.315) 6.899 1.981 ( -3.589 -0.062 -3.492) 5.008 2.297 ( 3.296 -1.086 3.278) 4.774 2.311 ( -0.905 -4.019 -3.270) 5.260 2.367 ( 5.144 -0.101 -0.653) 5.186 2.449 ( 0.671 -0.033 1.694) 1.823 2.490 ( -1.713 2.987 -1.536) 3.770 2.598 ( -3.232 -0.071 1.023) 3.391 2.657 ( 0.524 -0.328 4.495) 4.537 2.677 ( 1.551 -1.740 -5.323) 5.811 2.841 ( 4.131 -1.593 1.134) 4.571 2.909 ( 4.206 2.204 3.374) 5.825 2.957 ( -0.334 1.186 1.890) 2.256 3.009 ( -5.881 -0.017 -0.871) 5.945 3.103 ( 0.506 3.453 1.246) 3.706 3.193 ( -4.624 1.510 -5.119) 7.061 3.285 ( 1.184 1.067 1.514) 2.199 3.375 ( -0.782 0.660 1.322) 1.671 3.539 ( 2.784 -1.871 -1.305) 3.600 3.611 ( 0.226 -0.516 0.777) 0.959 3.683 ( 0.368 -1.429 0.313) 1.509 3.866 ( -2.117 -4.938 -0.242) 5.378 3.967 ( -0.496 2.387 -1.458) 2.841 4.198 ( -4.623 -4.118 -1.558) 6.384 4.402 ( 5.312 2.676 1.520) 6.139 4.544 ( 5.574 0.035 1.099) 5.682 4.661 ( -1.743 0.618 -0.815) 2.021 5.401 ( -0.452 0.829 0.306) 0.992 6.307 ( 0.857 -1.400 0.132) 1.647 7.960 ( -1.466 2.983 0.866) 3.435 8.043 ( 0.068 -0.032 -0.857) 0.861 8.237 ( -0.682 0.951 4.892) 5.030 8.414 ( -0.641 -0.987 -2.847) 3.081 8.687 ( 0.151 0.152 0.172) 0.275======================= Grid point 93 (42/100) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -0.748 -0.000 -6.543) 6.585 1.048 ( -11.833 -0.000 1.955) 11.993 1.232 ( -2.714 -0.000 -5.650) 6.268 1.449 ( 9.415 0.000 8.086) 12.410 1.583 ( 5.539 0.000 3.539) 6.573 1.595 ( 2.403 0.000 0.613) 2.480 1.786 ( -7.895 -0.000 -6.189) 10.031 1.820 ( -10.664 -0.000 -5.142) 11.839 1.991 ( -5.479 -0.000 -1.355) 5.644 2.030 ( 2.933 0.000 -0.591) 2.992 2.249 ( -0.694 -0.000 -5.543) 5.587 2.265 ( 4.428 0.000 -1.382) 4.639 2.349 ( 7.264 0.000 7.982) 10.792 2.512 ( 1.257 0.000 -5.369) 5.515 2.520 ( -4.317 -0.000 -0.087) 4.318 2.550 ( -0.894 -0.000 -0.567) 1.058 2.666 ( 1.253 0.000 6.320) 6.443 2.680 ( -0.330 -0.000 -1.534) 1.569 2.845 ( 4.697 0.000 4.048) 6.201 2.904 ( -2.652 -0.000 0.504) 2.700 2.925 ( 3.092 0.000 1.580) 3.473 3.049 ( -0.496 -0.000 0.027) 0.497 3.146 ( 1.634 0.000 3.257) 3.644 3.214 ( -3.615 -0.000 -3.284) 4.884 3.304 ( -1.348 -0.000 -4.390) 4.592 3.412 ( -0.739 -0.000 1.402) 1.585 3.496 ( 2.349 0.000 -2.172) 3.199 3.612 ( 0.368 0.000 3.651) 3.670 3.662 ( -1.120 -0.000 1.362) 1.764 3.781 ( -2.654 -0.000 -3.737) 4.583 4.016 ( -0.132 -0.000 0.160) 0.208 4.127 ( -4.637 -0.000 -2.508) 5.272 4.435 ( 3.681 0.000 0.532) 3.719 4.547 ( 9.651 0.000 2.614) 9.999 4.668 ( -1.311 -0.000 -0.323) 1.350 5.412 ( -0.764 -0.000 0.258) 0.806 6.292 ( 1.592 0.000 -0.160) 1.600 8.008 ( -0.916 -0.000 -3.397) 3.518 8.035 ( -1.025 -0.000 4.772) 4.881 8.245 ( 0.372 0.000 5.321) 5.334 8.399 ( -3.404 -0.000 -3.219) 4.686 8.689 ( 0.259 0.000 0.177) 0.314======================= Grid point 94 (43/100) =======================q-point: (-0.14 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -5.799 -6.068 -1.263) 8.488 0.874 ( -14.058 -4.376 2.481) 14.930 1.197 ( 0.759 -4.261 -6.362) 7.695 1.477 ( -18.037 0.061 -11.161) 21.211 1.619 ( 2.728 -0.018 4.095) 4.921 1.645 ( 2.433 2.077 -0.983) 3.347 1.694 ( 3.388 1.838 6.443) 7.508 1.732 ( 2.843 -2.724 3.610) 5.342 1.892 ( -6.188 0.932 2.045) 6.583 2.058 ( 3.229 2.397 0.960) 4.134 2.216 ( 1.172 -1.590 -4.223) 4.662 2.320 ( 2.630 -1.380 -3.882) 4.888 2.431 ( -0.535 3.087 -2.782) 4.190 2.472 ( 1.003 -0.689 0.597) 1.355 2.489 ( -0.627 -1.482 -2.748) 3.185 2.595 ( 2.825 -0.904 2.741) 4.038 2.705 ( 0.607 2.112 4.176) 4.719 2.738 ( 6.389 2.595 7.111) 9.906 2.860 ( -0.339 0.113 -0.706) 0.792 2.904 ( -2.524 -3.370 0.403) 4.229 2.955 ( -1.001 0.095 -2.277) 2.489 3.045 ( 2.157 2.082 -0.139) 3.001 3.120 ( -3.617 3.118 -1.709) 5.072 3.178 ( 2.390 3.184 -0.635) 4.032 3.304 ( 1.074 -4.676 1.854) 5.144 3.389 ( -0.183 3.223 0.473) 3.263 3.553 ( 2.187 -3.636 -0.302) 4.254 3.622 ( -1.325 1.353 -1.103) 2.191 3.705 ( 3.429 -1.152 4.069) 5.444 3.749 ( -1.758 -4.094 -0.503) 4.484 3.961 ( -3.200 3.593 -1.008) 4.916 4.088 ( -2.629 -4.137 1.272) 5.064 4.474 ( 1.682 0.100 -1.108) 2.017 4.582 ( -4.102 0.932 -2.530) 4.908 4.696 ( 7.075 2.867 -3.167) 8.265 5.401 ( -0.731 0.280 0.680) 1.037 6.309 ( 0.291 -0.275 -0.338) 0.524 7.968 ( 0.209 1.226 -2.680) 2.955 8.048 ( -0.989 0.924 3.072) 3.357 8.267 ( -2.749 3.126 3.261) 5.288 8.367 ( 0.685 -5.048 0.531) 5.122 8.691 ( 0.061 0.191 -0.029) 0.203======================= Grid point 101 (44/100) =======================q-point: (-0.14 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( -11.629 -0.000 6.294) 13.223 0.599 ( -18.153 -0.000 2.668) 18.348 0.998 ( -28.677 -0.000 -6.871) 29.489 1.179 ( 5.419 0.000 -6.190) 8.227 1.585 ( -3.108 -0.000 1.676) 3.532 1.790 ( 8.095 0.000 4.164) 9.103 1.813 ( -6.343 -0.000 2.960) 7.000 1.844 ( 5.221 0.000 6.118) 8.043 1.854 ( 5.090 0.000 6.040) 7.899 2.112 ( 3.297 0.000 0.531) 3.339 2.242 ( 3.375 0.000 -2.840) 4.411 2.296 ( 0.318 0.000 -4.643) 4.653 2.375 ( 1.440 0.000 -10.217) 10.318 2.484 ( 3.030 0.000 -0.204) 3.037 2.523 ( 3.251 0.000 6.714) 7.460 2.688 ( -7.412 -0.000 -1.328) 7.530 2.709 ( 5.815 0.000 4.697) 7.475 2.813 ( -1.860 -0.000 -3.130) 3.641 2.850 ( -2.679 -0.000 -0.666) 2.760 2.896 ( -1.430 -0.000 -1.128) 1.821 2.955 ( 7.237 0.000 6.915) 10.010 3.055 ( -0.783 -0.000 -2.039) 2.184 3.122 ( -0.024 -0.000 3.598) 3.598 3.183 ( -1.047 -0.000 -4.047) 4.181 3.307 ( 2.626 0.000 4.102) 4.870 3.423 ( 0.278 0.000 0.429) 0.511 3.534 ( 1.236 0.000 -1.327) 1.813 3.541 ( -4.126 -0.000 -5.379) 6.779 3.774 ( 2.384 0.000 2.792) 3.671 3.791 ( 1.351 0.000 3.829) 4.060 3.928 ( -4.992 -0.000 4.304) 6.591 4.071 ( 3.117 0.000 3.684) 4.826 4.464 ( -0.680 -0.000 -2.515) 2.605 4.477 ( -5.502 -0.000 -4.318) 6.994 4.757 ( 3.494 0.000 -12.218) 12.708 5.396 ( -0.806 -0.000 0.851) 1.172 6.296 ( -1.526 -0.000 -0.201) 1.539 7.962 ( 1.587 0.000 -3.166) 3.542 8.069 ( -1.194 -0.000 3.895) 4.074 8.243 ( -2.681 -0.000 -3.349) 4.290 8.384 ( 2.053 0.000 7.682) 7.951 8.691 ( -0.071 -0.000 -0.320) 0.328======================= Grid point 102 (45/100) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 2.506 0.000 18.117) 18.290 0.748 ( -3.337 -0.000 17.749) 18.060 1.214 ( 8.045 0.000 26.466) 27.662 1.274 ( 6.590 0.000 -0.283) 6.596 1.529 ( -4.646 -0.000 -7.392) 8.731 1.594 ( -1.978 -0.000 0.983) 2.209 1.762 ( -4.412 -0.000 -6.738) 8.054 1.775 ( -2.680 -0.000 -4.696) 5.406 1.791 ( -3.842 -0.000 -3.312) 5.073 1.986 ( -3.571 -0.000 -10.396) 10.992 2.148 ( 3.377 0.000 -3.445) 4.824 2.319 ( 3.278 0.000 -5.767) 6.633 2.367 ( 1.455 0.000 5.363) 5.556 2.561 ( 3.049 0.000 2.682) 4.061 2.620 ( -5.132 -0.000 0.127) 5.134 2.657 ( -4.821 -0.000 -1.155) 4.957 2.735 ( 6.015 0.000 0.961) 6.091 2.782 ( -0.557 -0.000 2.051) 2.125 2.817 ( -0.064 -0.000 -2.725) 2.726 3.011 ( 0.236 0.000 1.848) 1.863 3.011 ( 0.762 0.000 2.939) 3.036 3.135 ( -4.472 -0.000 0.827) 4.548 3.139 ( 0.015 0.000 -5.413) 5.413 3.144 ( 4.799 0.000 -0.134) 4.801 3.359 ( -5.141 -0.000 0.340) 5.152 3.479 ( 10.208 0.000 0.736) 10.235 3.536 ( -3.682 -0.000 2.040) 4.209 3.624 ( 1.413 0.000 2.772) 3.112 3.735 ( -4.117 -0.000 -4.327) 5.973 3.796 ( -1.950 -0.000 0.403) 1.991 3.834 ( -7.149 -0.000 0.848) 7.199 4.019 ( -5.502 -0.000 -5.008) 7.440 4.474 ( 2.908 0.000 3.679) 4.690 4.524 ( 2.318 0.000 2.458) 3.379 4.703 ( 11.044 0.000 -2.696) 11.369 5.368 ( -0.674 -0.000 -0.355) 0.762 6.545 ( 5.406 0.000 0.421) 5.422 7.981 ( -2.511 -0.000 -0.618) 2.585 8.031 ( -3.463 -0.000 -0.352) 3.481 8.076 ( -5.011 -0.000 0.287) 5.019 8.192 ( 2.925 0.000 -0.436) 2.957 8.678 ( 0.355 0.000 -0.519) 0.629======================= Grid point 103 (46/100) =======================q-point: ( 0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 1.024 -1.936 14.491) 14.655 0.961 ( 3.423 -5.633 15.928) 17.238 1.353 ( 4.522 1.951 -0.875) 5.002 1.399 ( -1.560 1.186 -6.911) 7.184 1.527 ( -4.408 0.572 -5.975) 7.447 1.551 ( 6.696 -0.101 9.679) 11.770 1.701 ( -0.856 0.731 0.474) 1.221 1.709 ( 1.215 -2.407 2.746) 3.849 1.785 ( 3.787 -1.641 2.039) 4.603 1.915 ( 1.026 -2.213 -6.951) 7.366 2.156 ( 1.770 0.822 -3.905) 4.366 2.300 ( 1.646 1.816 -3.040) 3.905 2.441 ( 0.929 -1.452 3.811) 4.183 2.541 ( -2.551 1.569 -0.494) 3.035 2.560 ( -4.509 -1.108 -1.549) 4.895 2.597 ( -1.951 -1.194 -0.206) 2.296 2.756 ( -4.254 -0.092 -0.886) 4.346 2.775 ( 1.749 2.572 -1.025) 3.275 2.811 ( 0.995 -0.771 -0.679) 1.430 2.988 ( -0.534 4.952 -0.477) 5.003 3.034 ( -3.401 3.711 2.547) 5.641 3.057 ( -5.016 0.350 0.057) 5.029 3.110 ( 1.536 -4.845 -2.350) 5.600 3.226 ( -0.110 -3.546 -0.586) 3.596 3.276 ( -0.163 2.161 3.549) 4.158 3.489 ( -1.900 3.228 3.160) 4.901 3.555 ( -0.462 3.559 -3.297) 4.873 3.632 ( 0.577 4.063 -1.612) 4.408 3.725 ( 1.183 -3.416 0.954) 3.739 3.782 ( 3.229 -1.605 1.972) 4.110 3.857 ( -1.984 -6.959 1.578) 7.406 3.962 ( 2.079 -1.683 0.176) 2.680 4.514 ( 1.544 2.221 1.271) 2.989 4.557 ( -0.742 -0.463 0.664) 1.099 4.745 ( 1.423 2.087 -6.512) 6.985 5.363 ( 0.001 -0.389 -0.029) 0.390 6.537 ( -1.046 5.505 -0.518) 5.627 7.904 ( -3.931 -1.513 0.261) 4.221 7.993 ( -2.149 -1.629 0.258) 2.709 8.126 ( 3.623 -1.681 1.994) 4.464 8.258 ( 3.696 -2.606 -1.813) 4.873 8.680 ( 0.408 -0.012 -0.458) 0.613======================= Grid point 104 (47/100) =======================q-point: ( 0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( -0.277 -0.060 7.127) 7.132 1.168 ( 0.541 -4.096 11.482) 12.203 1.302 ( 2.835 1.718 -8.461) 9.087 1.410 ( -1.564 -1.096 -6.030) 6.326 1.436 ( 2.863 -1.293 3.663) 4.826 1.563 ( -0.340 3.735 -2.571) 4.547 1.712 ( 0.119 -2.543 1.904) 3.179 1.854 ( 6.625 -0.199 5.598) 8.676 1.906 ( 0.050 -1.116 -2.903) 3.111 1.920 ( 3.202 -1.158 -1.258) 3.629 2.140 ( 1.474 -0.398 -2.702) 3.103 2.337 ( 4.808 1.383 0.472) 5.026 2.451 ( -4.395 -1.352 0.627) 4.640 2.490 ( -0.271 3.229 -1.184) 3.450 2.537 ( -0.467 -0.277 6.188) 6.211 2.583 ( -1.996 -5.564 -3.935) 7.102 2.666 ( -2.980 2.099 1.001) 3.780 2.760 ( 0.600 2.832 -0.838) 3.014 2.807 ( -1.019 -0.430 -1.504) 1.867 2.915 ( 1.611 5.573 -0.422) 5.817 2.976 ( -5.731 -0.511 0.659) 5.791 3.007 ( 0.263 1.720 -0.115) 1.743 3.063 ( -5.942 -2.845 -1.487) 6.754 3.247 ( -2.892 0.868 -1.509) 3.375 3.335 ( 4.891 2.180 4.359) 6.905 3.423 ( -0.094 -0.347 -1.485) 1.528 3.489 ( -1.231 1.738 1.078) 2.387 3.616 ( 0.611 1.657 -0.579) 1.858 3.736 ( -0.303 -0.093 0.514) 0.604 3.876 ( 3.040 -0.790 -0.622) 3.202 3.934 ( 1.434 -3.201 3.595) 5.023 4.104 ( 5.827 -5.501 4.107) 9.004 4.476 ( -3.466 3.371 -3.020) 5.701 4.529 ( -0.134 0.941 -0.812) 1.250 4.660 ( -3.088 0.238 -5.029) 5.906 5.374 ( 0.403 -0.636 0.281) 0.803 6.440 ( -2.503 5.049 0.415) 5.651 7.886 ( -1.278 -2.241 -0.901) 2.732 7.996 ( -1.422 -2.751 0.926) 3.232 8.215 ( 2.188 -1.878 2.773) 4.001 8.327 ( 4.214 -1.521 -2.448) 5.106 8.684 ( 0.278 -0.041 -0.175) 0.331======================= Grid point 105 (48/100) =======================q-point: (-0.57 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( -3.386 6.066 -0.191) 6.950 1.209 ( -2.200 4.428 3.985) 6.350 1.300 ( 1.591 -0.951 -5.615) 5.913 1.411 ( 1.939 -3.178 -4.142) 5.569 1.494 ( -3.105 -1.709 -0.604) 3.596 1.574 ( 4.672 -3.014 6.761) 8.753 1.780 ( -2.011 3.103 2.598) 4.519 1.790 ( -2.931 -3.230 -1.037) 4.484 1.940 ( 1.380 2.491 2.265) 3.639 1.983 ( 5.776 2.424 0.750) 6.309 2.226 ( 4.790 -3.554 -2.082) 6.317 2.331 ( 0.227 4.465 -4.634) 6.439 2.376 ( -5.200 0.849 -0.872) 5.341 2.432 ( -0.444 -1.030 -0.918) 1.450 2.535 ( -4.253 -1.900 0.625) 4.700 2.599 ( 0.511 -3.270 -0.487) 3.345 2.675 ( -1.187 4.450 2.406) 5.196 2.721 ( 0.317 0.019 0.228) 0.390 2.806 ( 1.571 -1.758 -1.736) 2.928 2.887 ( -2.656 -0.886 -0.664) 2.878 2.926 ( 2.217 1.502 -2.467) 3.640 3.023 ( 5.094 1.012 0.699) 5.240 3.073 ( -0.656 -1.278 6.472) 6.630 3.107 ( -5.858 0.665 -3.111) 6.666 3.407 ( 3.027 3.544 4.374) 6.392 3.463 ( -1.399 2.143 3.351) 4.217 3.510 ( 5.597 -3.455 -0.065) 6.578 3.590 ( -1.651 0.168 -1.528) 2.256 3.735 ( 1.114 0.978 -0.685) 1.633 3.892 ( -1.019 0.073 -1.083) 1.489 3.986 ( 0.394 1.806 2.828) 3.379 4.239 ( -0.940 -0.822 1.027) 1.617 4.368 ( 0.805 -0.479 -0.417) 1.026 4.524 ( 0.192 -1.001 -1.659) 1.947 4.574 ( -4.298 -1.743 -4.745) 6.635 5.391 ( 0.408 -0.587 0.365) 0.802 6.368 ( -1.647 2.684 0.729) 3.232 7.889 ( 0.101 -1.797 -1.897) 2.615 8.019 ( -1.362 -3.016 2.102) 3.920 8.265 ( -0.553 -1.170 1.840) 2.250 8.387 ( 4.518 0.144 -1.689) 4.826 8.687 ( 0.054 -0.071 0.074) 0.116======================= Grid point 106 (49/100) =======================q-point: (-0.43 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( -3.900 6.672 1.685) 7.910 1.085 ( -9.682 7.006 0.303) 11.955 1.194 ( -3.338 4.672 -4.450) 7.265 1.393 ( -6.248 -1.100 0.790) 6.393 1.571 ( 7.418 -3.198 0.674) 8.106 1.665 ( -4.104 -0.994 0.750) 4.289 1.715 ( 1.391 -1.390 4.434) 4.850 1.859 ( 0.933 -0.894 4.719) 4.893 1.936 ( 0.651 3.126 0.666) 3.262 2.079 ( 4.513 0.155 3.454) 5.685 2.192 ( 1.899 3.852 -5.253) 6.786 2.247 ( -2.012 -0.958 -5.161) 5.621 2.314 ( -3.097 -0.575 -0.532) 3.194 2.478 ( -2.579 -4.475 -0.553) 5.194 2.507 ( 3.361 2.187 -0.694) 4.069 2.619 ( 1.117 2.551 -0.822) 2.904 2.668 ( 1.606 -3.260 0.316) 3.648 2.733 ( -1.408 -3.221 -0.520) 3.553 2.843 ( 0.832 -2.318 -1.803) 3.052 2.878 ( 1.952 1.086 -1.993) 2.994 2.910 ( 1.048 -0.629 0.134) 1.230 3.032 ( -0.940 -1.422 -0.591) 1.804 3.122 ( 4.422 2.514 0.163) 5.089 3.133 ( -0.442 -1.925 5.857) 6.181 3.429 ( 0.394 5.040 2.033) 5.449 3.455 ( 2.960 0.934 2.406) 3.927 3.542 ( -3.154 -1.180 -2.003) 3.918 3.629 ( 4.444 0.006 1.658) 4.743 3.724 ( -2.017 0.158 -3.307) 3.877 3.846 ( -1.454 1.894 3.391) 4.147 3.946 ( -1.827 2.450 0.939) 3.198 4.222 ( 0.983 1.681 4.084) 4.525 4.437 ( 1.741 -1.569 -1.191) 2.629 4.476 ( -4.980 -1.470 -4.267) 6.721 4.534 ( -0.592 -3.919 -3.535) 5.311 5.404 ( 0.122 -0.359 0.295) 0.481 6.336 ( -1.542 0.401 1.374) 2.104 7.899 ( 1.708 -0.460 -2.499) 3.062 8.050 ( -1.645 -3.118 3.063) 4.670 8.252 ( -2.587 0.250 0.180) 2.606 8.437 ( 4.060 1.110 -1.562) 4.489 8.687 ( -0.191 -0.039 0.037) 0.198======================= Grid point 107 (50/100) =======================q-point: (-0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -6.827 4.901 8.763) 12.141 0.787 ( -15.498 6.266 3.967) 17.181 1.121 ( 0.519 5.045 2.978) 5.881 1.251 ( -8.122 8.257 5.205) 12.698 1.620 ( -1.852 -1.039 -0.574) 2.200 1.686 ( -4.894 -4.027 2.171) 6.699 1.784 ( 5.217 -2.506 -0.743) 5.835 1.920 ( 0.626 -0.517 -1.985) 2.145 1.933 ( 1.575 -0.088 2.847) 3.255 2.119 ( 3.065 -1.928 -2.081) 4.176 2.153 ( -2.506 -0.451 -4.500) 5.170 2.278 ( 8.410 2.340 0.678) 8.756 2.287 ( 0.951 1.882 -0.232) 2.121 2.416 ( -5.470 -2.125 -6.050) 8.429 2.580 ( 2.686 0.057 0.461) 2.726 2.633 ( 3.652 -1.180 2.382) 4.517 2.718 ( 1.530 -2.116 -0.006) 2.611 2.744 ( -0.954 -2.711 -0.684) 2.954 2.842 ( -1.034 -1.726 -1.828) 2.719 2.875 ( 1.265 -1.018 -2.178) 2.717 2.984 ( 2.109 -2.065 1.670) 3.391 3.068 ( -1.006 1.339 0.594) 1.777 3.098 ( 4.155 -0.164 0.274) 4.168 3.216 ( 1.969 1.116 2.843) 3.634 3.382 ( -0.307 2.609 -5.168) 5.797 3.448 ( -3.786 1.004 0.641) 3.969 3.535 ( 1.466 3.133 3.771) 5.118 3.610 ( -0.066 2.425 -0.724) 2.532 3.703 ( 0.064 -3.809 -0.708) 3.875 3.853 ( -1.595 0.871 2.492) 3.085 3.979 ( 2.403 -2.370 6.187) 7.048 4.270 ( 4.270 4.389 3.419) 7.013 4.383 ( -4.321 -0.404 -3.700) 5.703 4.432 ( -0.036 0.792 -0.952) 1.238 4.514 ( -3.544 -3.560 -4.999) 7.087 5.404 ( -0.557 -0.023 -0.081) 0.564 6.334 ( -1.428 -1.620 3.432) 4.054 7.917 ( 3.168 0.679 -2.245) 3.941 8.083 ( -1.752 -3.366 3.038) 4.861 8.189 ( -3.728 1.278 -0.813) 4.024 8.450 ( 1.921 2.296 -4.657) 5.536 8.682 ( -0.270 0.031 -0.181) 0.327======================= Grid point 108 (51/100) =======================q-point: (-0.14 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -4.635 3.889 15.595) 16.728 0.685 ( -5.896 0.145 17.583) 18.545 1.057 ( -7.672 9.585 22.450) 25.588 1.189 ( 6.791 2.977 -1.942) 7.665 1.599 ( -3.079 -3.071 -1.121) 4.491 1.647 ( -4.145 -1.561 -1.396) 4.644 1.815 ( -1.159 -2.770 -5.056) 5.881 1.867 ( -1.827 0.054 -6.670) 6.915 1.925 ( -3.877 1.690 -3.223) 5.317 2.107 ( 1.429 -2.400 -5.374) 6.056 2.181 ( -6.106 1.480 -9.157) 11.105 2.252 ( 5.295 -4.201 -1.956) 7.037 2.343 ( 1.009 2.731 1.956) 3.507 2.426 ( 9.371 1.952 5.980) 11.287 2.621 ( 3.715 -1.095 -0.362) 3.890 2.689 ( -2.167 -0.332 1.540) 2.679 2.727 ( -2.596 -1.382 -2.152) 3.644 2.786 ( 2.300 1.408 1.587) 3.129 2.808 ( -1.086 -1.089 -0.869) 1.766 2.950 ( 2.061 -4.984 2.099) 5.787 3.011 ( -0.743 2.000 2.111) 3.001 3.061 ( 2.741 -1.771 -2.236) 3.956 3.179 ( 0.237 2.130 2.894) 3.601 3.241 ( 2.653 0.555 -2.841) 3.927 3.259 ( 1.290 2.054 -3.577) 4.321 3.437 ( -0.770 -0.915 1.156) 1.663 3.532 ( -1.780 -2.034 2.081) 3.411 3.625 ( 2.770 4.173 0.872) 5.083 3.741 ( -2.699 -7.130 -0.814) 7.667 3.838 ( -1.487 0.248 0.872) 1.741 4.040 ( -5.089 -0.064 -2.161) 5.529 4.182 ( -6.688 6.422 -6.765) 11.477 4.368 ( 5.119 -0.588 3.678) 6.330 4.455 ( 3.688 0.480 2.863) 4.694 4.515 ( 4.674 -0.903 3.644) 5.995 5.387 ( -1.025 0.172 -0.389) 1.110 6.406 ( 3.100 -3.559 5.401) 7.173 7.951 ( 3.932 0.674 -1.317) 4.201 8.103 ( -4.250 1.184 -0.283) 4.421 8.119 ( -1.787 -4.766 1.097) 5.207 8.328 ( -5.435 6.731 -7.665) 11.558 8.678 ( 0.065 0.024 -0.338) 0.345======================= Grid point 110 (52/100) =======================q-point: ( 0.14 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 0.573 0.000 10.105) 10.121 1.118 ( 3.900 0.000 13.677) 14.222 1.324 ( 1.664 0.000 -8.759) 8.916 1.369 ( -5.628 -0.000 -2.972) 6.364 1.435 ( 1.449 0.000 -1.863) 2.360 1.679 ( -1.255 -0.000 1.506) 1.960 1.682 ( 2.009 0.000 -0.691) 2.124 1.773 ( 4.634 0.000 0.355) 4.648 1.912 ( 7.090 0.000 0.661) 7.120 1.917 ( 6.433 0.000 0.798) 6.482 2.148 ( 0.446 0.000 -2.963) 2.997 2.353 ( 5.039 0.000 -1.738) 5.330 2.423 ( -5.584 -0.000 -0.433) 5.601 2.499 ( -1.241 -0.000 -0.474) 1.328 2.535 ( -1.649 -0.000 4.696) 4.977 2.543 ( -3.035 -0.000 1.513) 3.391 2.692 ( -0.865 -0.000 -0.055) 0.866 2.794 ( -1.047 -0.000 -0.542) 1.180 2.795 ( 0.181 0.000 -2.204) 2.212 2.953 ( -3.090 -0.000 1.205) 3.316 2.993 ( -7.594 -0.000 -4.772) 8.969 3.022 ( -2.520 -0.000 1.582) 2.976 3.079 ( 1.387 0.000 0.738) 1.572 3.225 ( 4.708 0.000 -2.354) 5.263 3.377 ( 4.032 0.000 6.361) 7.531 3.427 ( -7.128 -0.000 -3.637) 8.002 3.510 ( -1.143 -0.000 -0.465) 1.234 3.657 ( -1.017 -0.000 0.121) 1.025 3.736 ( -1.740 -0.000 3.901) 4.271 3.842 ( 6.383 0.000 0.807) 6.434 3.877 ( 2.555 0.000 2.311) 3.445 4.038 ( 6.492 0.000 2.893) 7.108 4.517 ( -3.282 -0.000 -1.408) 3.571 4.534 ( -0.366 -0.000 -1.846) 1.882 4.667 ( -4.558 -0.000 -7.177) 8.503 5.367 ( 0.619 0.000 0.227) 0.659 6.507 ( -4.830 -0.000 -0.111) 4.831 7.862 ( -0.109 -0.000 -1.685) 1.688 7.953 ( -1.824 -0.000 1.179) 2.172 8.196 ( 3.403 0.000 2.835) 4.429 8.307 ( 4.891 0.000 -1.221) 5.041 8.684 ( 0.389 0.000 -0.383) 0.546======================= Grid point 111 (53/100) =======================q-point: ( 0.29 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( -3.134 0.359 0.212) 3.161 1.246 ( 1.723 0.097 5.543) 5.805 1.296 ( -2.004 -3.188 -0.580) 3.810 1.326 ( 3.678 0.085 -2.537) 4.469 1.458 ( -1.016 -1.109 2.716) 3.105 1.623 ( 1.129 5.365 -2.361) 5.969 1.698 ( -0.358 -2.230 2.675) 3.501 1.819 ( -0.149 -2.121 -5.180) 5.599 2.002 ( 6.128 1.823 -0.274) 6.400 2.076 ( 6.333 5.347 4.634) 9.495 2.162 ( 5.267 -1.884 1.601) 5.818 2.310 ( -7.295 -2.589 -1.811) 7.950 2.361 ( -1.173 -1.851 -5.498) 5.918 2.440 ( -4.111 -2.202 -4.274) 6.326 2.530 ( -1.662 1.036 1.795) 2.657 2.547 ( 1.428 1.627 1.001) 2.385 2.715 ( -2.393 -0.036 2.909) 3.766 2.740 ( -3.253 -0.675 -2.953) 4.444 2.811 ( 1.365 3.213 -0.364) 3.510 2.847 ( -1.792 -1.927 -1.310) 2.940 2.958 ( 1.643 -0.918 -0.322) 1.909 3.046 ( 1.345 -0.046 7.876) 7.990 3.082 ( 1.775 2.480 1.413) 3.361 3.210 ( -2.664 7.550 -3.698) 8.819 3.378 ( 3.927 -6.519 -3.984) 8.590 3.470 ( 1.292 1.626 4.384) 4.851 3.498 ( 0.380 0.779 3.248) 3.362 3.631 ( -1.216 1.142 -0.603) 1.774 3.740 ( -0.280 0.852 1.993) 2.186 3.888 ( -0.639 -0.976 -1.988) 2.305 3.966 ( 2.795 -2.470 4.505) 5.849 4.173 ( 4.706 -2.162 2.166) 5.613 4.417 ( -4.707 2.659 -2.617) 6.006 4.504 ( -0.681 -0.689 -3.525) 3.655 4.536 ( -6.250 -1.451 -4.195) 7.666 5.383 ( 0.824 -0.152 0.312) 0.894 6.422 ( -4.401 1.573 0.620) 4.715 7.862 ( 1.586 -0.514 -2.274) 2.819 7.955 ( -1.171 -2.068 1.925) 3.058 8.259 ( 1.258 0.241 3.068) 3.325 8.379 ( 5.094 -0.535 -1.656) 5.383 8.686 ( 0.190 0.009 -0.062) 0.200======================= Grid point 112 (54/100) =======================q-point: (-0.57 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -4.197 0.742 -3.803) 5.713 1.231 ( -4.907 5.781 -2.680) 8.042 1.289 ( -0.423 1.044 -2.113) 2.395 1.337 ( -4.116 0.164 5.994) 7.273 1.487 ( 2.140 -3.999 2.382) 5.123 1.638 ( 0.742 -0.064 1.930) 2.069 1.719 ( -0.000 -0.801 -0.550) 0.971 1.806 ( 1.445 -1.530 2.265) 3.092 2.028 ( 1.915 4.515 -0.427) 4.923 2.105 ( 2.634 1.044 0.452) 2.870 2.219 ( -2.917 -1.706 -4.832) 5.896 2.246 ( -1.043 -2.634 -1.717) 3.313 2.319 ( -3.648 4.665 -4.214) 7.268 2.398 ( 0.751 -2.705 1.583) 3.223 2.537 ( 3.644 -0.656 0.958) 3.825 2.573 ( 0.947 -1.803 0.247) 2.052 2.662 ( -3.275 0.017 0.863) 3.387 2.731 ( 2.031 1.287 -1.180) 2.678 2.778 ( 0.645 -0.893 -0.712) 1.311 2.879 ( 1.145 -0.370 -0.723) 1.404 2.985 ( -0.420 -2.901 1.331) 3.219 3.048 ( 0.469 9.558 -4.247) 10.470 3.112 ( 2.667 0.980 3.375) 4.411 3.163 ( 2.127 0.439 4.606) 5.093 3.425 ( 0.408 -0.478 -2.495) 2.572 3.532 ( 0.817 -0.024 1.949) 2.113 3.547 ( 2.699 -1.681 0.938) 3.315 3.596 ( 1.732 2.128 2.420) 3.658 3.724 ( -0.779 0.019 -3.203) 3.296 3.861 ( -2.789 -0.901 2.096) 3.603 4.028 ( -0.778 2.610 0.461) 2.762 4.204 ( -1.984 -2.299 0.866) 3.158 4.377 ( 1.284 -1.822 0.931) 2.415 4.437 ( -5.383 -2.293 -2.696) 6.442 4.479 ( -1.274 -1.244 -2.247) 2.867 5.399 ( 0.692 -0.074 0.207) 0.726 6.351 ( -3.463 0.825 0.667) 3.622 7.887 ( 3.040 -0.375 -1.964) 3.639 7.984 ( -1.038 -2.616 2.723) 3.916 8.272 ( -1.180 1.298 2.220) 2.829 8.446 ( 4.585 -0.180 -2.218) 5.097 8.687 ( -0.112 0.063 0.205) 0.242======================= Grid point 113 (55/100) =======================q-point: (-0.43 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( -2.850 2.065 0.289) 3.532 0.965 ( -11.717 9.989 -0.292) 15.400 1.222 ( -1.063 2.844 -1.937) 3.601 1.329 ( -4.029 0.788 7.934) 8.933 1.567 ( -5.099 -2.948 3.308) 6.756 1.652 ( 4.099 -2.126 -1.639) 4.900 1.771 ( 2.334 1.742 2.840) 4.068 1.868 ( -0.171 -2.457 2.027) 3.190 1.991 ( 0.170 3.762 -2.069) 4.297 2.087 ( -0.435 -1.047 -4.370) 4.515 2.152 ( -2.820 -0.005 -2.945) 4.078 2.250 ( -1.180 -1.886 1.690) 2.794 2.294 ( 4.907 -1.128 -0.583) 5.069 2.404 ( -1.071 0.034 -0.943) 1.428 2.602 ( 1.514 -1.955 -1.285) 2.787 2.623 ( 2.066 1.286 3.007) 3.869 2.645 ( 1.529 -2.762 -0.742) 3.243 2.718 ( 2.531 3.572 -2.617) 5.100 2.817 ( 0.077 -1.297 -1.260) 1.809 2.879 ( 0.258 0.249 -2.928) 2.950 2.973 ( 1.865 0.966 2.309) 3.121 3.065 ( 4.471 -0.499 0.617) 4.541 3.142 ( -2.278 2.436 1.332) 3.592 3.195 ( 4.062 -0.901 0.903) 4.258 3.412 ( -1.391 -1.103 -1.972) 2.653 3.476 ( -2.137 3.573 -3.834) 5.660 3.577 ( 0.539 -0.067 0.804) 0.971 3.662 ( 0.864 1.371 -1.393) 2.137 3.698 ( 0.814 1.406 0.598) 1.731 3.871 ( -0.923 -0.900 4.012) 4.214 3.944 ( -1.897 1.007 2.362) 3.193 4.254 ( -0.436 -4.870 0.440) 4.909 4.372 ( -2.593 -1.320 0.179) 2.915 4.429 ( -0.515 -2.634 -0.534) 2.737 4.451 ( -0.818 0.401 0.097) 0.916 5.406 ( 0.184 0.244 -0.099) 0.321 6.306 ( -2.938 -0.778 1.194) 3.265 7.931 ( 4.137 0.504 -1.679) 4.493 8.018 ( -1.366 -2.414 3.466) 4.439 8.231 ( -3.074 2.314 1.333) 4.073 8.484 ( 3.422 0.809 -4.265) 5.528 8.684 ( -0.320 0.141 0.205) 0.405======================= Grid point 114 (56/100) =======================q-point: (-0.29 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -3.349 5.360 8.569) 10.648 0.765 ( -2.506 8.191 10.809) 13.791 1.216 ( 2.666 -2.156 -0.809) 3.523 1.310 ( -2.483 7.817 11.795) 14.366 1.498 ( -6.268 -0.273 1.685) 6.496 1.665 ( -1.371 1.037 -0.536) 1.801 1.787 ( -0.700 0.694 -1.498) 1.793 1.854 ( -3.986 -1.694 -3.636) 5.655 1.935 ( -1.029 0.666 -3.023) 3.262 2.068 ( -0.056 -0.744 -6.234) 6.278 2.169 ( 4.763 -2.571 -0.132) 5.415 2.219 ( -4.080 1.701 -4.530) 6.329 2.347 ( 2.557 -2.388 2.108) 4.085 2.458 ( 5.657 0.427 3.147) 6.487 2.613 ( -0.100 -1.670 -0.830) 1.868 2.677 ( 0.848 1.658 0.110) 1.866 2.678 ( -0.305 -5.052 -0.289) 5.069 2.757 ( 0.247 -1.964 -2.180) 2.944 2.802 ( 4.038 0.195 0.617) 4.089 2.857 ( -0.243 -0.155 -1.199) 1.233 3.032 ( -1.163 -0.711 2.370) 2.734 3.105 ( 5.177 4.250 -0.964) 6.767 3.150 ( 3.156 -3.417 1.321) 4.835 3.242 ( -0.088 0.392 -1.942) 1.983 3.342 ( -2.807 2.093 -3.534) 4.975 3.405 ( -1.668 0.290 -1.182) 2.065 3.553 ( -2.911 1.289 -1.361) 3.462 3.600 ( -0.415 0.741 0.517) 0.994 3.737 ( 2.823 0.247 -0.493) 2.877 3.850 ( -2.419 1.751 1.655) 3.414 3.999 ( -1.646 -3.146 2.560) 4.377 4.284 ( -6.681 2.013 -4.582) 8.348 4.309 ( 0.797 -4.952 0.441) 5.035 4.473 ( 5.147 -0.419 4.389) 6.777 4.489 ( 2.683 -0.302 3.333) 4.289 5.396 ( -0.501 0.668 -0.354) 0.907 6.313 ( -0.705 -3.704 3.165) 4.923 7.975 ( 3.924 1.236 -1.168) 4.276 8.045 ( -1.850 -1.938 3.279) 4.234 8.151 ( -4.012 2.933 1.039) 5.078 8.450 ( 0.728 3.713 -7.641) 8.527 8.680 ( -0.132 0.128 0.030) 0.186======================= Grid point 115 (57/100) =======================q-point: (-0.14 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 0.331 4.549 14.263) 14.974 0.852 ( 4.457 5.052 16.217) 17.561 1.271 ( 3.165 4.819 3.231) 6.609 1.337 ( 3.639 0.382 12.642) 13.161 1.454 ( -1.549 -1.323 -0.348) 2.067 1.629 ( -1.861 1.268 -0.411) 2.290 1.704 ( -3.861 -1.281 -4.222) 5.863 1.770 ( -3.175 0.883 -3.865) 5.079 1.848 ( -3.381 2.202 -5.296) 6.658 1.998 ( -1.412 1.343 -7.208) 7.467 2.145 ( 1.754 0.530 -3.139) 3.634 2.265 ( 2.796 -3.179 -1.734) 4.575 2.416 ( 1.478 0.860 2.015) 2.643 2.544 ( 0.396 -2.676 0.733) 2.802 2.625 ( -0.725 -0.656 0.330) 1.032 2.659 ( -1.299 2.800 -4.531) 5.483 2.697 ( 1.153 -2.082 1.884) 3.036 2.770 ( 1.474 -3.468 2.001) 4.267 2.821 ( -1.675 0.617 -1.515) 2.341 2.927 ( 1.125 -6.239 1.862) 6.607 3.016 ( -1.562 0.168 0.856) 1.789 3.127 ( 4.180 4.990 -1.484) 6.677 3.151 ( -3.601 0.911 -1.788) 4.123 3.239 ( -1.516 0.288 -0.799) 1.738 3.332 ( -0.216 -1.945 0.073) 1.959 3.374 ( 0.949 -3.982 1.821) 4.480 3.514 ( 0.573 0.645 0.269) 0.904 3.616 ( 0.482 -3.090 -2.414) 3.951 3.745 ( 1.448 3.898 0.909) 4.256 3.795 ( -4.052 0.366 0.756) 4.138 3.961 ( -3.035 2.865 0.903) 4.271 4.066 ( -7.824 4.913 -5.245) 10.624 4.419 ( 3.267 -4.018 3.094) 6.033 4.544 ( 1.522 0.737 2.785) 3.258 4.655 ( 8.734 -3.869 -0.624) 9.573 5.376 ( -0.575 0.713 -0.240) 0.947 6.425 ( 2.638 -7.856 2.826) 8.756 7.994 ( -2.183 1.170 0.504) 2.528 8.023 ( -2.188 0.333 0.010) 2.213 8.100 ( 0.181 2.028 2.563) 3.273 8.318 ( -0.124 7.438 -6.610) 9.952 8.679 ( 0.217 0.049 -0.259) 0.342======================= Grid point 118 (58/100) =======================q-point: ( 0.29 0.29 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -5.561 -0.000 -7.076) 9.000 1.276 ( -0.898 -0.000 5.869) 5.937 1.299 ( 1.883 0.000 -2.531) 3.155 1.375 ( -1.700 -0.000 6.694) 6.907 1.431 ( -3.517 -0.000 0.684) 3.583 1.662 ( 2.803 0.000 0.648) 2.877 1.687 ( -2.128 -0.000 1.333) 2.511 1.796 ( 3.004 0.000 -4.917) 5.762 2.099 ( 3.911 0.000 0.835) 3.999 2.127 ( -0.745 -0.000 -3.778) 3.850 2.137 ( -7.338 -0.000 -3.162) 7.990 2.275 ( 1.259 0.000 -6.055) 6.184 2.294 ( 1.629 0.000 -0.420) 1.682 2.403 ( 1.230 0.000 3.226) 3.452 2.542 ( 0.764 0.000 -1.576) 1.752 2.556 ( -0.629 -0.000 3.032) 3.097 2.671 ( -0.358 -0.000 1.822) 1.857 2.701 ( 0.999 0.000 0.578) 1.154 2.825 ( 0.566 0.000 0.110) 0.577 2.861 ( 1.922 0.000 -2.057) 2.815 2.940 ( -2.872 -0.000 0.248) 2.883 3.125 ( 2.604 0.000 2.841) 3.854 3.155 ( 0.044 0.000 4.852) 4.853 3.230 ( 0.745 0.000 -4.612) 4.672 3.370 ( 5.902 0.000 -3.651) 6.940 3.523 ( 2.118 0.000 3.454) 4.051 3.552 ( 0.984 0.000 3.018) 3.174 3.603 ( -0.783 -0.000 -1.847) 2.006 3.768 ( -1.770 -0.000 5.608) 5.880 3.807 ( -4.047 -0.000 -3.994) 5.686 4.032 ( 3.231 0.000 2.301) 3.966 4.190 ( -2.472 -0.000 -3.238) 4.074 4.373 ( -0.416 -0.000 0.315) 0.522 4.394 ( -6.874 -0.000 -0.299) 6.881 4.465 ( -0.714 -0.000 -1.976) 2.101 5.398 ( 0.939 0.000 0.136) 0.949 6.362 ( -4.481 -0.000 0.583) 4.518 7.884 ( 3.847 0.000 -2.460) 4.566 7.950 ( -0.653 -0.000 3.211) 3.277 8.290 ( -0.874 -0.000 3.058) 3.181 8.441 ( 4.906 0.000 -2.204) 5.379 8.689 ( -0.054 -0.000 0.238) 0.244======================= Grid point 119 (59/100) =======================q-point: (-0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( -3.623 -3.319 -7.298) 8.798 1.184 ( -8.249 8.375 -1.234) 11.820 1.280 ( -3.832 0.987 3.278) 5.139 1.362 ( -2.770 2.096 6.773) 7.611 1.449 ( -0.652 -5.693 3.650) 6.794 1.642 ( -1.663 0.331 -0.288) 1.720 1.761 ( 6.126 -1.352 0.496) 6.293 1.830 ( 3.011 -1.259 -2.145) 3.905 2.037 ( -2.501 -0.335 -1.829) 3.117 2.072 ( -1.144 -0.285 -4.109) 4.275 2.149 ( 1.508 0.284 -0.190) 1.547 2.263 ( 2.043 1.530 -1.830) 3.141 2.305 ( -0.500 1.999 -2.845) 3.513 2.351 ( -2.914 -2.699 0.019) 3.972 2.553 ( 0.507 -2.412 -2.407) 3.444 2.624 ( 2.240 1.057 2.073) 3.230 2.703 ( 2.743 3.777 4.493) 6.479 2.769 ( 1.881 -2.317 2.396) 3.828 2.819 ( 1.793 4.580 -0.084) 4.919 2.869 ( 1.226 -0.657 -1.786) 2.264 2.948 ( 0.466 -4.117 0.771) 4.214 3.063 ( -5.004 0.282 -3.741) 6.254 3.196 ( 4.489 0.486 1.265) 4.689 3.235 ( 3.812 5.880 0.049) 7.007 3.433 ( 2.703 -1.081 -4.421) 5.293 3.504 ( -1.702 1.263 -3.037) 3.703 3.563 ( -2.083 0.927 0.264) 2.295 3.663 ( 1.730 -2.535 4.165) 5.174 3.715 ( 1.425 1.119 -1.383) 2.279 3.806 ( -3.163 -3.560 3.585) 5.961 4.021 ( -3.493 4.341 -1.544) 5.782 4.127 ( -2.040 -5.029 -2.163) 5.842 4.331 ( -3.946 -1.608 3.245) 5.356 4.395 ( 0.491 -0.671 0.923) 1.242 4.458 ( 0.474 0.126 1.479) 1.558 5.412 ( 0.782 0.179 -0.159) 0.818 6.298 ( -3.947 -0.103 0.293) 3.959 7.939 ( 4.967 0.237 -1.626) 5.231 7.978 ( -0.430 -1.062 3.910) 4.074 8.275 ( -2.684 1.286 2.269) 3.743 8.492 ( 3.870 0.074 -3.056) 4.932 8.688 ( -0.328 0.107 0.440) 0.559======================= Grid point 120 (60/100) =======================q-point: (-0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 0.373 -6.431 -4.860) 8.069 0.968 ( -4.852 9.229 4.901) 11.521 1.204 ( -3.194 3.546 2.300) 5.297 1.386 ( -0.964 0.003 9.763) 9.811 1.496 ( -3.085 -2.054 2.005) 4.214 1.647 ( 1.171 -1.147 -1.109) 1.979 1.811 ( -2.308 -0.975 -2.572) 3.591 1.852 ( 0.577 0.914 1.211) 1.623 1.995 ( 0.238 3.402 -1.901) 3.904 2.075 ( 2.463 1.759 -4.139) 5.128 2.139 ( 2.657 0.253 0.176) 2.675 2.250 ( 0.098 0.951 0.277) 0.996 2.293 ( 1.069 -1.425 -2.615) 3.165 2.387 ( 0.668 -5.343 2.513) 5.942 2.570 ( 0.322 -1.392 -1.553) 2.111 2.625 ( -0.792 -0.280 -0.812) 1.168 2.724 ( -1.823 1.985 -2.557) 3.714 2.758 ( -0.040 2.232 -1.543) 2.713 2.795 ( 0.404 -1.166 0.120) 1.240 2.884 ( 1.216 1.593 -0.402) 2.044 2.993 ( 0.353 -2.044 4.476) 4.934 3.061 ( 0.030 -4.337 -0.505) 4.367 3.223 ( 5.639 6.172 -3.035) 8.894 3.268 ( 3.742 2.380 0.386) 4.452 3.382 ( -0.954 2.903 -3.732) 4.823 3.443 ( -1.955 0.961 -2.773) 3.526 3.536 ( -0.462 -1.624 -1.534) 2.282 3.672 ( -2.961 1.140 -1.807) 3.651 3.708 ( -0.798 -0.196 -1.051) 1.334 3.847 ( -2.547 -4.014 3.020) 5.632 3.956 ( 0.121 1.372 3.207) 3.490 4.171 ( 1.029 -6.519 0.818) 6.650 4.300 ( -4.572 -0.274 -0.992) 4.686 4.420 ( 0.532 -2.511 1.910) 3.199 4.509 ( 2.987 0.831 5.225) 6.076 5.413 ( 0.244 0.727 -0.367) 0.850 6.257 ( -2.256 -1.424 0.701) 2.758 7.999 ( 3.883 0.818 -0.787) 4.045 8.016 ( 0.018 -0.891 4.041) 4.138 8.218 ( -3.491 2.614 1.574) 4.636 8.503 ( 2.086 1.370 -4.768) 5.381 8.684 ( -0.341 0.198 0.428) 0.582======================= Grid point 121 (61/100) =======================q-point: (-0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 1.492 -3.950 0.110) 4.224 0.970 ( 5.524 5.096 12.385) 14.486 1.191 ( 1.576 -1.515 2.000) 2.963 1.433 ( -4.047 2.777 2.968) 5.736 1.475 ( 0.125 -1.009 5.052) 5.154 1.629 ( -1.282 -0.063 -2.452) 2.768 1.738 ( -2.571 2.062 -1.595) 3.661 1.833 ( -1.123 4.247 3.016) 5.328 1.927 ( 0.933 6.266 -2.955) 6.990 2.044 ( 1.039 2.969 -2.643) 4.109 2.179 ( -0.610 2.295 -3.686) 4.385 2.208 ( 2.137 -1.309 -0.473) 2.551 2.379 ( 3.372 -3.508 0.129) 4.867 2.488 ( -0.796 -2.974 -1.242) 3.320 2.566 ( -0.531 -5.350 1.078) 5.483 2.620 ( 0.888 -4.245 -2.593) 5.053 2.647 ( -2.478 -1.919 0.251) 3.144 2.742 ( -0.626 1.578 -0.651) 1.818 2.831 ( -1.118 -0.334 -0.870) 1.456 2.879 ( 2.363 0.381 0.042) 2.394 3.001 ( -4.485 -1.198 1.371) 4.840 3.119 ( -0.987 -3.360 2.501) 4.303 3.218 ( 1.219 4.013 -1.522) 4.461 3.246 ( 3.410 1.936 -4.565) 6.018 3.340 ( 1.760 3.232 -1.271) 3.893 3.381 ( -2.877 2.243 -0.421) 3.672 3.531 ( 0.357 0.396 -1.857) 1.932 3.597 ( -0.904 0.140 -3.336) 3.459 3.731 ( 1.423 -2.348 0.759) 2.848 3.816 ( -5.197 -1.564 1.009) 5.521 3.996 ( 2.316 2.073 3.887) 4.977 4.164 ( -7.355 3.058 -3.461) 8.685 4.311 ( 4.433 -5.519 3.427) 7.865 4.494 ( 0.557 -5.713 -0.510) 5.763 4.603 ( 4.361 0.249 5.062) 6.686 5.399 ( -0.237 1.239 -0.201) 1.277 6.283 ( 0.505 -4.391 1.633) 4.712 8.022 ( -0.348 1.061 2.331) 2.585 8.043 ( -0.201 1.104 0.225) 1.144 8.156 ( -0.559 2.812 2.176) 3.599 8.447 ( 0.238 4.012 -6.250) 7.431 8.681 ( -0.061 0.159 0.240) 0.294======================= Grid point 122 (62/100) =======================q-point: (-0.14 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 2.043 -2.023 6.692) 7.284 1.116 ( 4.814 6.556 13.314) 15.602 1.287 ( 3.808 -3.728 -3.458) 6.353 1.357 ( -1.019 -1.099 0.524) 1.588 1.468 ( -2.818 -1.989 -3.329) 4.793 1.610 ( -0.701 2.708 -2.381) 3.673 1.701 ( 0.921 2.181 4.016) 4.662 1.798 ( 1.569 4.544 2.149) 5.265 1.869 ( 3.377 5.112 -0.863) 6.187 1.986 ( -1.314 3.923 -0.536) 4.172 2.149 ( 2.089 1.001 -3.914) 4.548 2.250 ( 1.842 -2.124 -0.348) 2.832 2.420 ( -0.706 -2.801 2.468) 3.800 2.485 ( -0.800 -3.402 -1.889) 3.973 2.577 ( -3.660 0.027 -0.524) 3.697 2.660 ( 1.830 -2.282 -2.920) 4.134 2.701 ( -0.630 1.267 -0.889) 1.671 2.755 ( -4.677 -1.695 0.495) 4.999 2.773 ( 3.960 -5.843 0.474) 7.074 2.865 ( -3.346 0.049 -1.505) 3.670 2.986 ( -0.836 -1.206 1.706) 2.250 3.095 ( -4.755 2.064 1.571) 5.416 3.199 ( -2.238 0.930 0.390) 2.454 3.224 ( 0.306 -0.113 -2.332) 2.354 3.297 ( -0.329 3.524 -0.601) 3.590 3.384 ( 0.976 -3.478 3.239) 4.852 3.505 ( -1.239 -1.976 -4.278) 4.872 3.596 ( 3.233 0.519 -3.262) 4.622 3.740 ( -3.291 -1.304 1.993) 4.062 3.828 ( 4.164 0.767 1.459) 4.478 3.985 ( -4.371 3.881 -2.062) 6.199 4.049 ( 3.960 5.299 4.858) 8.207 4.449 ( 3.189 -3.363 1.667) 4.925 4.526 ( -2.048 -4.308 -1.783) 5.093 4.686 ( 1.640 -1.730 -0.993) 2.582 5.381 ( -0.124 1.170 0.102) 1.181 6.377 ( 0.689 -6.961 1.179) 7.094 7.963 ( -3.743 3.381 0.541) 5.073 8.028 ( -0.439 1.276 0.782) 1.560 8.179 ( 2.734 2.317 3.021) 4.687 8.350 ( 0.990 4.797 -5.310) 7.224 8.682 ( 0.190 0.095 -0.021) 0.214======================= Grid point 126 (63/100) =======================q-point: ( 0.43 -0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( -0.074 -0.000 -9.588) 9.589 1.113 ( -7.708 -0.000 1.221) 7.805 1.226 ( -2.664 -0.000 4.917) 5.593 1.394 ( -2.663 -0.000 8.574) 8.978 1.457 ( -0.500 -0.000 2.495) 2.545 1.638 ( 1.092 0.000 0.898) 1.414 1.805 ( -0.668 -0.000 -1.602) 1.736 1.836 ( 1.799 0.000 -2.227) 2.863 2.031 ( 3.887 0.000 0.641) 3.939 2.074 ( 5.777 0.000 -3.761) 6.893 2.177 ( 1.893 0.000 -0.783) 2.048 2.257 ( -6.094 -0.000 3.272) 6.917 2.281 ( 1.323 0.000 -3.985) 4.198 2.345 ( 3.797 0.000 -0.860) 3.894 2.524 ( 1.034 0.000 -2.630) 2.826 2.641 ( -1.514 -0.000 -0.464) 1.584 2.755 ( -6.619 -0.000 -5.325) 8.495 2.783 ( -1.683 -0.000 6.291) 6.512 2.784 ( -1.691 -0.000 -4.245) 4.569 2.905 ( 1.324 0.000 -0.015) 1.324 2.965 ( 0.804 0.000 4.619) 4.689 3.000 ( 3.459 0.000 -1.615) 3.818 3.301 ( 7.456 0.000 0.409) 7.467 3.355 ( 5.028 0.000 0.625) 5.066 3.402 ( 1.738 0.000 -5.675) 5.935 3.429 ( -4.095 -0.000 -4.078) 5.779 3.562 ( -1.170 -0.000 -2.846) 3.077 3.593 ( -6.282 -0.000 -0.565) 6.308 3.761 ( -3.187 -0.000 0.710) 3.265 3.762 ( 1.595 0.000 2.345) 2.836 4.019 ( -2.181 -0.000 1.591) 2.699 4.053 ( 2.175 0.000 1.153) 2.461 4.292 ( -3.602 -0.000 1.902) 4.073 4.392 ( -0.891 -0.000 -0.316) 0.946 4.518 ( 2.951 0.000 5.762) 6.474 5.422 ( 0.595 0.000 -0.386) 0.709 6.242 ( -2.676 -0.000 -0.020) 2.676 8.003 ( -0.119 -0.000 4.687) 4.689 8.010 ( 4.779 0.000 -1.019) 4.886 8.250 ( -3.285 -0.000 1.643) 3.673 8.518 ( 2.269 0.000 -3.361) 4.055 8.686 ( -0.421 -0.000 0.585) 0.721======================= Grid point 128 (64/100) =======================q-point: (-0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 2.866 -7.371 -10.991) 13.541 1.058 ( 0.777 2.792 7.487) 8.028 1.265 ( 2.389 3.356 5.911) 7.205 1.423 ( -2.298 -1.500 7.486) 7.973 1.434 ( -3.254 -1.352 -1.567) 3.856 1.634 ( -1.386 0.314 -1.898) 2.371 1.760 ( -1.606 0.363 1.004) 1.928 1.881 ( 2.022 0.124 2.216) 3.002 2.090 ( -0.142 4.367 -2.668) 5.120 2.123 ( 8.623 4.393 0.128) 9.679 2.197 ( 0.355 1.217 2.162) 2.506 2.240 ( -1.020 0.900 -3.100) 3.385 2.300 ( 6.279 -4.783 -2.104) 8.169 2.382 ( 1.514 -1.004 0.440) 1.869 2.524 ( -6.971 0.513 -5.407) 8.838 2.550 ( -0.521 -2.746 -5.428) 6.106 2.597 ( -3.309 -2.588 -1.884) 4.604 2.762 ( -2.917 0.892 3.576) 4.700 2.797 ( -1.992 -2.020 2.600) 3.848 2.900 ( 0.009 0.957 0.044) 0.958 2.986 ( -0.943 -0.180 0.327) 1.014 3.066 ( 1.927 -1.307 2.980) 3.781 3.315 ( -0.051 3.641 -6.542) 7.487 3.329 ( -1.044 4.165 -4.553) 6.258 3.365 ( 0.214 1.556 -2.746) 3.163 3.472 ( 2.678 3.064 1.667) 4.398 3.511 ( 0.424 -1.882 -0.838) 2.103 3.553 ( -0.325 -4.945 -2.846) 5.715 3.710 ( -0.281 1.371 1.127) 1.797 3.758 ( -5.773 -2.158 0.359) 6.173 4.050 ( 4.838 2.375 5.100) 7.420 4.179 ( 5.368 -5.423 3.455) 8.376 4.213 ( -5.960 1.385 -1.651) 6.337 4.378 ( -1.741 -3.361 -1.313) 4.007 4.616 ( 3.145 0.433 5.856) 6.661 5.422 ( 0.141 0.637 -0.290) 0.714 6.225 ( -0.152 -1.159 0.112) 1.174 8.038 ( -0.158 0.340 4.398) 4.414 8.060 ( 1.936 0.380 -0.572) 2.054 8.208 ( -1.767 1.410 1.520) 2.724 8.504 ( 0.268 1.231 -3.875) 4.075 8.684 ( -0.266 0.114 0.568) 0.637======================= Grid point 129 (65/100) =======================q-point: (-0.29 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 2.934 -11.699 -6.353) 13.632 1.191 ( 8.077 -0.367 8.866) 11.999 1.298 ( 1.658 5.547 7.403) 9.398 1.354 ( -5.356 -0.478 -3.648) 6.498 1.436 ( -1.651 -1.622 -1.858) 2.968 1.619 ( -0.247 -1.200 0.976) 1.566 1.776 ( 1.595 3.101 3.888) 5.223 1.884 ( -0.567 3.413 1.777) 3.890 2.002 ( 0.402 5.842 -3.552) 6.849 2.086 ( -4.316 4.658 -4.453) 7.755 2.214 ( 2.117 2.861 -1.799) 3.988 2.223 ( 4.679 0.477 0.512) 4.731 2.335 ( -1.938 -4.300 -2.646) 5.408 2.405 ( -1.771 -3.286 -1.479) 4.016 2.524 ( 2.257 -4.107 0.072) 4.687 2.594 ( 5.934 -4.636 1.475) 7.673 2.599 ( -0.732 -1.666 -1.485) 2.348 2.734 ( -3.011 0.386 3.759) 4.832 2.771 ( -3.874 -0.258 -0.292) 3.894 2.931 ( 2.360 1.789 0.549) 3.011 2.938 ( -2.877 -0.363 0.776) 3.002 3.124 ( -0.188 -0.167 3.733) 3.741 3.205 ( -3.248 0.002 -4.654) 5.675 3.242 ( -2.402 2.767 -2.353) 4.355 3.354 ( 0.479 -0.188 -1.211) 1.316 3.394 ( -2.777 2.911 -2.106) 4.541 3.489 ( -1.316 1.624 -2.059) 2.934 3.614 ( 4.939 1.075 -3.304) 6.039 3.688 ( -5.409 -2.954 1.302) 6.299 3.796 ( 4.848 -2.985 3.347) 6.604 4.065 ( -6.198 2.866 -2.367) 7.227 4.148 ( 6.179 4.003 4.708) 8.739 4.360 ( 4.745 -6.312 2.416) 8.257 4.385 ( -1.795 -5.216 -2.343) 5.993 4.681 ( 1.092 0.472 2.368) 2.650 5.410 ( -0.140 1.199 -0.022) 1.207 6.264 ( 1.546 -3.112 0.483) 3.509 8.031 ( -2.692 2.199 -0.572) 3.522 8.055 ( -0.251 1.235 2.755) 3.029 8.215 ( 2.055 1.002 2.794) 3.610 8.440 ( -0.997 2.917 -4.365) 5.344 8.685 ( -0.019 0.152 0.396) 0.425======================= Grid point 130 (66/100) =======================q-point: (-0.14 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 1.165 -11.364 -1.194) 11.486 1.232 ( -6.606 0.185 1.852) 6.863 1.322 ( 2.331 3.315 -0.070) 4.053 1.401 ( 7.400 -1.082 1.643) 7.657 1.420 ( 2.421 -0.081 1.533) 2.867 1.612 ( -0.911 3.081 -1.877) 3.721 1.750 ( -2.307 0.313 3.081) 3.862 1.874 ( 0.762 3.481 1.469) 3.854 1.923 ( -0.922 0.164 -5.106) 5.192 1.953 ( -2.762 2.957 0.033) 4.047 2.211 ( 4.906 5.239 -1.909) 7.427 2.293 ( 2.898 -2.611 -2.237) 4.497 2.359 ( -0.705 -7.122 -2.085) 7.454 2.474 ( 0.825 -1.377 3.646) 3.983 2.534 ( -1.180 0.080 3.959) 4.132 2.621 ( 0.201 -2.257 -0.945) 2.456 2.657 ( -2.892 -1.284 -2.366) 3.951 2.712 ( -0.888 0.280 1.649) 1.894 2.806 ( 5.365 -2.647 2.865) 6.633 2.839 ( -0.966 4.249 -2.536) 5.042 2.981 ( -1.369 0.350 0.626) 1.546 3.061 ( -3.557 4.807 -0.983) 6.060 3.110 ( -6.068 -0.519 -0.611) 6.121 3.209 ( -2.299 0.014 -1.446) 2.716 3.304 ( -0.514 -1.399 0.906) 1.744 3.405 ( 1.410 -1.514 3.102) 3.729 3.471 ( 3.173 0.696 -1.986) 3.808 3.623 ( 0.122 0.890 -0.879) 1.256 3.696 ( 0.024 -2.964 0.698) 3.045 3.895 ( 2.285 -0.227 0.183) 2.303 3.963 ( -1.894 0.636 0.659) 2.104 4.220 ( 4.128 3.384 3.065) 6.155 4.376 ( -2.700 -4.654 -2.985) 6.153 4.495 ( 3.454 -1.966 0.886) 4.072 4.668 ( -1.886 0.816 -2.240) 3.040 5.395 ( -0.013 1.141 0.215) 1.161 6.332 ( 0.690 -4.001 0.642) 4.111 7.949 ( -2.337 2.820 -1.454) 3.940 8.048 ( -0.850 2.060 2.355) 3.242 8.265 ( 1.596 1.725 3.701) 4.384 8.365 ( 0.859 1.932 -4.344) 4.831 8.686 ( 0.101 0.148 0.172) 0.248======================= Grid point 135 (67/100) =======================q-point: (-0.43 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( 4.652 0.000 -11.864) 12.743 1.189 ( 6.622 0.000 8.200) 10.540 1.346 ( -3.599 -0.000 -4.053) 5.420 1.360 ( -6.322 -0.000 6.879) 9.343 1.422 ( 4.328 0.000 2.222) 4.865 1.598 ( -1.870 -0.000 -0.384) 1.909 1.815 ( 3.416 0.000 5.008) 6.063 1.929 ( 2.169 0.000 0.549) 2.238 2.070 ( -0.938 -0.000 -4.623) 4.717 2.186 ( -9.134 -0.000 -4.319) 10.104 2.200 ( -0.781 -0.000 -3.887) 3.964 2.213 ( -1.401 -0.000 1.440) 2.009 2.290 ( -1.075 -0.000 -5.728) 5.828 2.400 ( 3.405 0.000 -4.138) 5.359 2.454 ( 9.073 0.000 3.954) 9.898 2.553 ( 1.251 0.000 -0.122) 1.257 2.575 ( 5.351 0.000 -0.718) 5.398 2.749 ( -3.220 -0.000 1.513) 3.558 2.749 ( -3.800 -0.000 5.661) 6.819 2.920 ( -0.125 -0.000 2.641) 2.644 2.971 ( -1.027 -0.000 -0.642) 1.211 3.111 ( 0.240 0.000 4.505) 4.511 3.210 ( -5.987 -0.000 -3.124) 6.753 3.291 ( -1.464 -0.000 -5.383) 5.579 3.347 ( -1.667 -0.000 -4.693) 4.980 3.435 ( 0.463 0.000 -4.847) 4.869 3.490 ( -1.894 -0.000 0.884) 2.090 3.643 ( -2.399 -0.000 -3.083) 3.906 3.694 ( 6.545 0.000 5.144) 8.325 3.714 ( -1.214 -0.000 1.690) 2.080 4.102 ( -6.031 -0.000 -1.893) 6.321 4.223 ( 0.527 0.000 -0.027) 0.528 4.238 ( 9.293 0.000 4.663) 10.398 4.323 ( 1.071 0.000 -0.179) 1.086 4.688 ( 0.887 0.000 2.907) 3.039 5.425 ( -0.094 -0.000 -0.156) 0.182 6.232 ( 1.718 0.000 0.071) 1.720 8.053 ( -1.741 -0.000 -1.879) 2.561 8.073 ( -0.299 -0.000 4.462) 4.472 8.226 ( 1.116 0.000 2.392) 2.640 8.473 ( -1.563 -0.000 -3.242) 3.599 8.687 ( -0.098 -0.000 0.544) 0.553======================= Grid point 137 (68/100) =======================q-point: (-0.29 -0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 4.657 -8.395 -6.513) 11.601 1.235 ( -7.083 1.474 0.006) 7.234 1.309 ( -5.866 -3.879 3.735) 7.963 1.385 ( 9.024 -0.459 5.671) 10.668 1.485 ( 4.295 4.211 0.669) 6.053 1.597 ( 0.329 -2.516 0.596) 2.606 1.800 ( -4.574 2.868 -4.290) 6.896 1.936 ( -7.206 1.226 -3.477) 8.095 1.957 ( 0.128 2.307 -1.630) 2.827 2.029 ( -0.973 2.716 0.484) 2.925 2.192 ( 0.055 -5.083 -6.925) 8.590 2.242 ( 0.615 -2.880 0.864) 3.069 2.312 ( 5.742 2.003 1.577) 6.283 2.419 ( 2.331 -0.805 -0.611) 2.540 2.546 ( 2.913 -1.475 -2.831) 4.321 2.561 ( -1.322 1.212 1.050) 2.079 2.675 ( 0.349 0.465 1.564) 1.668 2.719 ( -1.667 -1.222 1.385) 2.488 2.795 ( 5.464 2.174 7.084) 9.207 2.910 ( -1.373 2.215 -0.161) 2.611 2.974 ( 0.417 -2.233 2.388) 3.296 3.077 ( -4.197 -0.573 -1.585) 4.523 3.161 ( -3.065 2.442 -0.415) 3.941 3.228 ( -1.289 0.857 -1.013) 1.850 3.283 ( -1.088 -0.381 -2.130) 2.422 3.406 ( 0.143 2.054 0.113) 2.062 3.474 ( 0.272 -2.110 -1.390) 2.541 3.623 ( 0.267 0.224 0.755) 0.832 3.678 ( 0.158 2.287 0.435) 2.334 3.824 ( 0.326 -5.452 1.023) 5.557 4.004 ( -2.366 2.581 -0.899) 3.615 4.188 ( -3.541 -4.019 -2.823) 6.055 4.364 ( 5.352 2.569 1.703) 6.176 4.444 ( 7.153 -2.536 2.146) 7.887 4.685 ( -1.754 0.481 -1.180) 2.168 5.417 ( -0.246 0.622 -0.035) 0.670 6.274 ( 2.097 -1.216 0.643) 2.508 7.992 ( -2.496 0.929 -2.801) 3.865 8.091 ( -0.642 1.387 3.690) 3.994 8.276 ( 2.074 -0.206 3.356) 3.950 8.406 ( -2.533 1.248 -3.182) 4.254 8.689 ( 0.017 0.099 0.345) 0.359======================= Grid point 138 (69/100) =======================q-point: (-0.14 -0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 1.240 -10.088 -0.957) 10.209 1.122 ( -7.231 -2.022 1.913) 7.749 1.284 ( -7.471 -4.521 0.799) 8.769 1.453 ( 4.868 3.344 -5.082) 7.791 1.567 ( 1.155 3.646 1.690) 4.182 1.641 ( 3.428 0.046 1.307) 3.669 1.690 ( -2.310 -2.102 1.816) 3.613 1.810 ( -3.488 -1.830 0.978) 4.058 1.955 ( -1.313 1.956 -0.421) 2.393 1.997 ( 2.546 3.923 3.783) 6.016 2.190 ( -0.518 -5.203 -7.272) 8.957 2.288 ( 0.875 -2.093 -2.854) 3.646 2.330 ( 2.272 0.403 -3.079) 3.848 2.475 ( -0.661 0.958 0.994) 1.531 2.546 ( -2.172 -3.948 0.266) 4.514 2.609 ( 1.362 -0.548 3.216) 3.535 2.635 ( 1.794 5.498 1.687) 6.024 2.729 ( 1.280 0.799 2.424) 2.855 2.845 ( 0.278 1.662 -0.365) 1.724 2.922 ( 0.583 -1.124 -4.183) 4.371 2.971 ( -2.199 4.488 0.162) 5.000 3.013 ( 1.633 -0.266 0.392) 1.700 3.107 ( -0.252 3.537 2.254) 4.202 3.133 ( -3.965 0.426 -1.758) 4.358 3.327 ( 2.406 -1.210 2.710) 3.820 3.411 ( -0.386 -2.472 2.100) 3.266 3.537 ( 4.331 -1.303 0.961) 4.624 3.619 ( -1.583 1.830 -0.344) 2.444 3.700 ( 2.605 -1.188 2.019) 3.504 3.855 ( -3.684 -5.231 -0.776) 6.445 3.948 ( -0.976 1.660 -0.023) 1.925 4.180 ( -2.054 -4.541 -0.155) 4.986 4.417 ( 3.586 1.864 0.072) 4.042 4.548 ( 3.628 1.129 -0.895) 3.904 4.609 ( -3.445 1.208 -4.354) 5.682 5.407 ( -0.081 0.730 0.256) 0.778 6.321 ( 0.697 -1.378 1.206) 1.959 7.926 ( -1.004 1.168 -3.022) 3.392 8.081 ( -1.157 2.543 3.146) 4.208 8.306 ( -2.520 1.984 1.011) 3.362 8.367 ( 2.966 -1.529 -0.980) 3.477 8.690 ( -0.032 0.140 0.104) 0.177======================= Grid point 144 (70/100) =======================q-point: (-0.29 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 4.554 0.000 -1.383) 4.760 1.138 ( -14.210 -0.000 6.667) 15.697 1.170 ( -5.434 -0.000 -0.051) 5.434 1.554 ( 6.954 0.000 -0.706) 6.990 1.571 ( 0.638 0.000 -6.641) 6.672 1.603 ( 3.621 0.000 3.026) 4.718 1.687 ( -4.766 -0.000 0.544) 4.797 1.789 ( -4.769 -0.000 1.948) 5.152 2.009 ( 3.498 0.000 -1.505) 3.808 2.034 ( -4.204 -0.000 4.031) 5.824 2.119 ( 1.622 0.000 -6.992) 7.178 2.231 ( 0.903 0.000 -1.745) 1.965 2.355 ( 1.952 0.000 -8.272) 8.499 2.479 ( 2.159 0.000 3.480) 4.096 2.510 ( -2.203 -0.000 -0.715) 2.316 2.596 ( 0.002 0.000 4.967) 4.967 2.735 ( 5.328 0.000 5.224) 7.462 2.751 ( 3.758 0.000 1.703) 4.126 2.878 ( -0.921 -0.000 -1.100) 1.435 2.904 ( -3.311 -0.000 -0.790) 3.404 2.944 ( -0.729 -0.000 0.919) 1.173 3.042 ( -1.699 -0.000 -0.312) 1.728 3.096 ( 0.724 0.000 -3.509) 3.583 3.231 ( -1.407 -0.000 -3.190) 3.486 3.292 ( 0.455 0.000 6.562) 6.578 3.417 ( -0.235 -0.000 -1.065) 1.090 3.483 ( 2.712 0.000 0.778) 2.821 3.642 ( -0.674 -0.000 -0.141) 0.688 3.712 ( 1.249 0.000 4.329) 4.506 3.746 ( -1.884 -0.000 0.081) 1.886 4.019 ( -0.137 -0.000 0.436) 0.457 4.084 ( -2.634 -0.000 -1.955) 3.280 4.437 ( 2.074 0.000 -0.387) 2.110 4.562 ( 6.391 0.000 -1.077) 6.482 4.623 ( -3.239 -0.000 -4.169) 5.280 5.416 ( -0.271 -0.000 0.138) 0.304 6.307 ( 1.459 0.000 1.594) 2.161 7.938 ( -1.401 -0.000 -3.564) 3.829 8.116 ( -0.655 -0.000 2.960) 3.032 8.335 ( 2.229 0.000 3.444) 4.103 8.339 ( -3.731 -0.000 -2.545) 4.516 8.691 ( -0.044 -0.000 0.071) 0.083======================= Grid point 145 (71/100) =======================q-point: (-0.14 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( -1.412 -3.530 5.662) 6.821 0.949 ( -15.370 -3.919 3.787) 16.308 1.110 ( -3.786 -2.677 -2.164) 5.117 1.361 ( -16.194 -1.894 0.693) 16.319 1.608 ( 2.356 -0.058 -1.418) 2.751 1.691 ( 5.608 1.996 2.586) 6.490 1.758 ( 5.126 -0.009 -0.223) 5.131 1.841 ( 3.672 -0.945 5.939) 7.046 1.945 ( -4.013 4.285 2.713) 6.467 2.077 ( 2.599 -1.748 1.294) 3.389 2.134 ( 4.786 -1.188 -3.969) 6.331 2.245 ( 0.679 -2.619 -3.270) 4.244 2.286 ( -1.837 -0.482 -8.099) 8.319 2.477 ( -1.088 0.385 0.504) 1.260 2.531 ( 2.937 0.552 2.963) 4.209 2.653 ( 1.974 2.198 3.356) 4.471 2.739 ( -2.724 4.529 -1.466) 5.485 2.803 ( -0.785 2.367 -3.560) 4.347 2.831 ( 1.846 -1.313 -1.737) 2.855 2.891 ( 1.110 2.512 0.546) 2.800 2.960 ( 2.032 -2.285 3.234) 4.451 3.047 ( 0.348 -2.838 0.344) 2.880 3.101 ( -1.574 4.325 -0.998) 4.710 3.154 ( 1.595 0.460 -0.333) 1.693 3.371 ( 1.020 -1.514 3.235) 3.714 3.396 ( 0.686 -0.988 0.875) 1.487 3.547 ( 0.669 -4.596 0.047) 4.645 3.575 ( -4.743 -0.468 -1.918) 5.138 3.755 ( 1.156 2.413 0.901) 2.823 3.811 ( 2.479 -0.743 5.372) 5.962 3.965 ( -1.210 4.091 1.809) 4.634 4.125 ( 1.316 -6.572 2.334) 7.097 4.444 ( 0.225 -0.062 -1.972) 1.986 4.504 ( -4.891 0.691 -5.121) 7.115 4.608 ( 2.030 1.897 -5.357) 6.035 5.412 ( -0.322 0.270 0.278) 0.504 6.334 ( -0.256 0.127 2.618) 2.634 7.903 ( 0.784 0.029 -3.298) 3.390 8.114 ( -0.866 2.107 2.566) 3.431 8.256 ( -3.936 0.283 -1.952) 4.403 8.403 ( 2.708 -1.467 1.027) 3.246 8.689 ( -0.196 0.055 -0.212) 0.293======================= Grid point 152 (72/100) =======================q-point: (-0.14 -0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -6.786 -0.000 14.090) 15.639 0.680 ( -16.748 -0.000 6.624) 18.011 1.082 ( -19.535 -0.000 13.260) 23.610 1.091 ( 4.366 0.000 -2.669) 5.117 1.612 ( -0.459 -0.000 0.860) 0.975 1.772 ( -2.076 -0.000 -4.569) 5.018 1.824 ( 5.244 0.000 -0.954) 5.330 1.905 ( 1.619 0.000 -1.659) 2.318 1.967 ( -1.164 -0.000 3.608) 3.791 2.163 ( 7.214 0.000 5.161) 8.870 2.165 ( -2.509 -0.000 -7.267) 7.688 2.206 ( 7.629 0.000 -5.062) 9.155 2.234 ( 2.998 0.000 -0.204) 3.005 2.451 ( -4.705 -0.000 -4.135) 6.264 2.614 ( -4.412 -0.000 -3.365) 5.548 2.646 ( 6.285 0.000 4.653) 7.819 2.746 ( -1.026 -0.000 -2.204) 2.431 2.783 ( 3.493 0.000 2.434) 4.258 2.810 ( -2.172 -0.000 -2.316) 3.175 2.949 ( 1.683 0.000 2.952) 3.398 2.988 ( 0.030 0.000 -2.247) 2.247 3.090 ( 3.866 0.000 5.262) 6.530 3.101 ( -1.455 -0.000 -3.523) 3.812 3.164 ( 2.893 0.000 -0.131) 2.896 3.345 ( -4.347 -0.000 -1.166) 4.501 3.428 ( 1.663 0.000 0.276) 1.686 3.522 ( 0.509 0.000 2.944) 2.988 3.534 ( 1.481 0.000 1.408) 2.043 3.815 ( 0.444 0.000 1.668) 1.726 3.846 ( -1.210 -0.000 1.704) 2.090 4.027 ( 2.613 0.000 4.273) 5.008 4.141 ( 3.184 0.000 3.115) 4.455 4.392 ( -4.896 -0.000 -3.861) 6.235 4.421 ( -0.072 -0.000 -1.611) 1.613 4.556 ( -3.374 -0.000 -6.310) 7.155 5.405 ( -0.872 -0.000 -0.094) 0.877 6.358 ( -0.288 -0.000 4.933) 4.941 7.907 ( 2.758 0.000 -2.511) 3.729 8.137 ( -0.179 -0.000 1.960) 1.968 8.175 ( -3.772 -0.000 -2.549) 4.553 8.409 ( -0.870 -0.000 -3.403) 3.512 8.682 ( -0.233 -0.000 -0.396) 0.460======================= Grid point 153 (73/100) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -2.861 -0.000 9.906) 10.311 1.049 ( 3.035 0.000 15.236) 15.535 1.298 ( 5.814 0.000 2.948) 6.519 1.331 ( -3.481 -0.000 -11.813) 12.315 1.507 ( -3.009 -0.000 -8.392) 8.915 1.593 ( 2.603 0.000 9.732) 10.074 1.702 ( -1.120 -0.000 -1.879) 2.187 1.721 ( 0.548 0.000 1.509) 1.605 1.772 ( -0.060 -0.000 1.488) 1.489 1.827 ( -2.646 -0.000 -5.850) 6.420 2.119 ( 0.656 0.000 0.642) 0.918 2.232 ( 2.201 0.000 -3.120) 3.818 2.459 ( 0.649 0.000 3.529) 3.588 2.565 ( 0.088 0.000 -1.267) 1.270 2.581 ( -4.182 -0.000 -3.758) 5.622 2.663 ( -2.094 -0.000 0.699) 2.207 2.745 ( 2.501 0.000 0.329) 2.522 2.771 ( 0.341 0.000 -1.145) 1.194 2.810 ( 0.003 0.000 0.782) 0.782 2.999 ( -0.579 -0.000 -1.750) 1.843 3.014 ( 0.820 0.000 -1.017) 1.306 3.099 ( 1.852 0.000 0.725) 1.989 3.148 ( -2.243 -0.000 0.061) 2.244 3.178 ( 2.600 0.000 2.000) 3.281 3.364 ( -4.082 -0.000 0.012) 4.082 3.512 ( 4.581 0.000 2.115) 5.046 3.568 ( 4.178 0.000 1.981) 4.624 3.644 ( -6.156 -0.000 -4.915) 7.877 3.670 ( 0.776 0.000 1.621) 1.797 3.796 ( -1.099 -0.000 -0.208) 1.118 3.851 ( -2.019 -0.000 0.653) 2.122 3.944 ( -2.543 -0.000 -2.340) 3.456 4.548 ( 0.581 0.000 3.710) 3.755 4.557 ( 0.853 0.000 0.927) 1.260 4.642 ( 3.831 0.000 -3.409) 5.128 5.363 ( -0.289 -0.000 -0.149) 0.325 6.551 ( 1.370 0.000 0.174) 1.381 7.973 ( -0.894 -0.000 -0.198) 0.915 8.026 ( -1.577 -0.000 -0.161) 1.585 8.079 ( -1.114 -0.000 0.098) 1.118 8.186 ( 1.339 0.000 -0.197) 1.353 8.670 ( 0.157 0.000 -0.284) 0.324======================= Grid point 154 (74/100) =======================q-point: ( 0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -1.217 -1.819 5.835) 6.232 1.172 ( -0.853 -2.256 -7.608) 7.981 1.242 ( 3.083 2.593 4.863) 6.315 1.324 ( 0.710 0.427 -6.204) 6.259 1.458 ( -0.314 -1.729 5.123) 5.416 1.608 ( -0.518 4.744 -1.500) 5.002 1.705 ( 0.445 -0.878 1.339) 1.662 1.777 ( 3.477 -5.572 0.874) 6.626 1.817 ( 3.405 -0.593 -2.291) 4.146 1.848 ( 3.972 -0.830 2.607) 4.823 2.126 ( 0.059 0.283 0.167) 0.334 2.236 ( 2.814 0.282 -4.953) 5.703 2.488 ( -1.689 -3.559 -0.759) 4.012 2.531 ( -0.757 2.031 0.944) 2.364 2.584 ( -0.094 0.651 3.094) 3.163 2.605 ( -1.980 1.653 3.969) 4.734 2.723 ( -1.397 2.009 -1.796) 3.035 2.765 ( -1.022 -0.870 -0.729) 1.527 2.807 ( -0.707 -0.715 -0.005) 1.006 2.969 ( -0.991 4.842 -0.567) 4.974 3.042 ( -2.379 2.495 -1.179) 3.643 3.066 ( 0.357 -3.825 -1.390) 4.085 3.080 ( -4.247 1.554 1.270) 4.697 3.206 ( -1.839 -4.803 -1.052) 5.249 3.375 ( 2.803 2.807 5.393) 6.695 3.449 ( -5.770 3.874 -6.538) 9.542 3.525 ( -0.317 -0.213 0.543) 0.664 3.633 ( 3.557 7.129 1.178) 8.054 3.725 ( 0.316 -2.677 -0.637) 2.770 3.822 ( 2.555 -1.731 1.829) 3.587 3.903 ( 1.568 -4.745 3.211) 5.941 3.998 ( 5.586 -3.849 3.203) 7.502 4.514 ( -1.844 2.875 -1.885) 3.901 4.560 ( -2.977 -0.473 -0.279) 3.027 4.628 ( -0.304 0.203 -5.301) 5.314 5.367 ( 0.292 -0.410 0.395) 0.640 6.519 ( -1.242 4.118 -1.353) 4.509 7.913 ( -4.900 -1.335 0.662) 5.121 8.016 ( -1.552 -1.757 1.979) 3.068 8.160 ( 4.938 -2.090 1.657) 5.612 8.223 ( 3.698 -0.683 -1.774) 4.157 8.673 ( 0.382 -0.205 -0.238) 0.495======================= Grid point 155 (75/100) =======================q-point: ( 0.29 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -5.020 2.901 -0.965) 5.878 1.126 ( 4.632 -0.934 -10.038) 11.095 1.212 ( 2.657 0.624 -8.976) 9.382 1.392 ( -0.302 -2.227 7.590) 7.916 1.542 ( -0.376 2.394 0.238) 2.435 1.566 ( 2.123 -3.151 8.336) 9.161 1.753 ( 1.211 -3.054 2.220) 3.965 1.821 ( -0.541 -1.772 -4.306) 4.688 1.897 ( 3.934 -1.128 1.777) 4.462 1.984 ( 7.102 3.114 5.026) 9.240 2.126 ( 1.256 -0.103 0.327) 1.301 2.243 ( 4.150 -0.969 -6.781) 8.009 2.438 ( -5.657 -1.570 -2.291) 6.302 2.467 ( -4.268 2.466 -3.450) 6.016 2.536 ( -0.123 -2.042 0.670) 2.153 2.629 ( -5.931 0.716 1.562) 6.174 2.737 ( -0.072 2.000 -0.591) 2.086 2.746 ( 3.332 2.578 5.016) 6.551 2.797 ( -2.062 -2.028 0.196) 2.899 2.888 ( -0.886 3.211 -4.034) 5.232 2.961 ( -4.845 0.732 2.181) 5.364 3.004 ( 0.865 1.928 0.601) 2.198 3.115 ( 0.892 -1.982 5.188) 5.625 3.192 ( -6.290 3.723 -4.530) 8.599 3.339 ( 4.165 -4.908 -1.852) 6.698 3.456 ( 3.361 2.251 3.234) 5.179 3.539 ( -0.411 -0.275 2.506) 2.554 3.599 ( 0.683 4.342 -0.683) 4.449 3.723 ( -0.749 -0.237 -1.396) 1.601 3.878 ( 1.833 -0.438 0.598) 1.977 4.010 ( 1.991 -0.997 3.792) 4.397 4.180 ( 4.850 -5.968 4.071) 8.701 4.407 ( -3.153 3.752 -3.808) 6.206 4.502 ( -2.256 -0.771 -2.373) 3.364 4.566 ( -2.731 -0.576 -4.451) 5.254 5.383 ( 0.436 -0.496 0.609) 0.898 6.433 ( -1.424 4.363 -1.117) 4.724 7.874 ( -2.805 -1.894 -0.168) 3.388 8.040 ( -1.512 -2.951 3.193) 4.604 8.245 ( 2.846 -0.699 -0.990) 3.094 8.298 ( 4.486 -1.386 0.983) 4.797 8.681 ( 0.395 -0.258 -0.089) 0.480======================= Grid point 156 (76/100) =======================q-point: ( 0.43 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( -3.283 3.929 -1.422) 5.313 1.158 ( 1.601 0.554 -7.051) 7.251 1.182 ( 3.893 0.144 -4.117) 5.668 1.458 ( -0.460 -1.362 5.204) 5.399 1.512 ( -2.368 -0.429 1.533) 2.853 1.697 ( 2.604 -1.837 4.744) 5.715 1.738 ( -3.803 1.076 -2.171) 4.509 1.867 ( 1.554 -4.071 4.713) 6.419 1.952 ( 1.576 1.630 0.764) 2.393 2.051 ( 5.211 1.576 4.769) 7.238 2.132 ( 1.372 2.151 -7.127) 7.570 2.258 ( -1.189 2.220 -2.546) 3.581 2.353 ( -4.356 -2.105 -2.554) 5.471 2.420 ( 2.579 -1.488 -0.178) 2.983 2.522 ( -4.402 0.160 -0.721) 4.464 2.587 ( 0.120 -3.186 -0.196) 3.195 2.676 ( -0.427 2.838 -0.704) 2.955 2.747 ( -2.552 0.917 0.199) 2.719 2.796 ( -0.582 -1.841 0.215) 1.942 2.848 ( 2.484 2.042 -1.064) 3.387 2.926 ( -2.432 0.851 1.791) 3.138 3.017 ( -1.274 2.207 -3.911) 4.668 3.077 ( 2.209 -1.039 2.800) 3.715 3.210 ( 1.032 -0.110 6.013) 6.102 3.417 ( 1.298 -2.598 -2.557) 3.870 3.487 ( 1.777 4.822 -0.277) 5.147 3.562 ( -1.775 -0.475 -0.326) 1.867 3.576 ( 3.179 -1.103 4.635) 5.728 3.710 ( -0.226 -0.946 -1.558) 1.837 3.900 ( -0.072 0.091 1.175) 1.181 4.011 ( -1.371 3.563 -0.367) 3.835 4.267 ( -0.961 -0.007 1.801) 2.042 4.372 ( 2.726 -1.823 0.845) 3.387 4.477 ( -2.428 -2.320 -3.937) 5.175 4.494 ( -1.475 -0.014 -2.224) 2.668 5.398 ( 0.302 -0.356 0.385) 0.606 6.375 ( -0.721 2.043 -0.119) 2.169 7.859 ( -0.733 -1.089 -0.898) 1.591 8.076 ( -1.274 -2.690 3.064) 4.271 8.265 ( 0.984 0.458 -1.606) 1.938 8.377 ( 2.678 -0.650 0.742) 2.854 8.688 ( 0.155 -0.119 0.016) 0.197======================= Grid point 157 (77/100) =======================q-point: (-0.43 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( -0.948 1.477 3.972) 4.343 1.074 ( -7.608 3.059 1.135) 8.278 1.148 ( -1.856 2.895 -0.646) 3.499 1.468 ( -4.326 -0.806 3.961) 5.921 1.554 ( 5.557 -0.513 -2.184) 5.993 1.696 ( -0.508 -1.969 2.133) 2.947 1.751 ( 1.132 0.414 -0.707) 1.398 1.922 ( 0.432 3.039 -1.291) 3.330 1.964 ( -2.596 -1.989 4.894) 5.886 2.054 ( -0.439 0.861 -4.517) 4.619 2.147 ( -1.973 0.680 -3.585) 4.148 2.199 ( 5.609 0.571 3.195) 6.480 2.312 ( -0.624 0.688 0.636) 1.125 2.432 ( -4.486 -1.226 -2.015) 5.069 2.515 ( 5.235 -0.758 0.421) 5.306 2.598 ( 1.062 2.069 -1.137) 2.589 2.673 ( -0.349 -3.243 -0.065) 3.262 2.728 ( -0.896 -2.363 0.935) 2.695 2.807 ( -0.167 -0.237 -1.274) 1.307 2.854 ( 0.450 0.166 -0.699) 0.848 2.943 ( 2.342 -3.146 2.523) 4.663 2.983 ( 2.805 0.445 -3.371) 4.408 3.125 ( -1.123 2.173 -0.993) 2.640 3.237 ( 0.868 -1.677 3.750) 4.199 3.407 ( -1.438 6.214 -2.593) 6.885 3.467 ( -0.012 -4.011 0.722) 4.076 3.554 ( 0.777 0.772 1.326) 1.720 3.655 ( -2.011 -1.319 -2.715) 3.627 3.676 ( 0.462 2.614 1.399) 3.000 3.905 ( -0.350 0.946 1.395) 1.721 3.978 ( 1.018 -1.381 2.436) 2.979 4.281 ( 1.553 1.295 1.264) 2.385 4.404 ( -3.072 0.160 -2.651) 4.061 4.426 ( 1.504 0.155 0.672) 1.654 4.483 ( -1.173 -1.743 -1.340) 2.492 5.404 ( -0.045 -0.137 -0.201) 0.248 6.362 ( -0.611 -0.864 1.188) 1.591 7.861 ( 1.507 0.274 -1.155) 1.918 8.100 ( -0.677 -1.288 1.179) 1.873 8.243 ( -1.673 0.975 -0.148) 1.942 8.403 ( 0.895 0.441 -1.797) 2.056 8.688 ( -0.209 0.104 0.024) 0.234======================= Grid point 158 (78/100) =======================q-point: (-0.29 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -3.918 1.567 11.773) 12.506 0.938 ( -6.577 0.414 10.276) 12.207 1.125 ( 2.845 2.784 0.374) 3.998 1.421 ( -4.282 3.665 7.076) 9.046 1.573 ( -0.745 -1.513 -3.812) 4.168 1.688 ( -3.166 0.225 -2.968) 4.346 1.764 ( 0.821 0.802 -0.293) 1.185 1.836 ( -1.954 2.978 -4.965) 6.111 1.963 ( -3.108 -0.426 -2.484) 4.001 2.027 ( -2.123 -3.086 -1.682) 4.107 2.117 ( 3.321 -1.737 -0.722) 3.817 2.229 ( -6.027 1.500 -4.281) 7.543 2.358 ( 7.413 2.442 5.798) 9.723 2.393 ( 1.079 -0.185 2.873) 3.074 2.562 ( 1.228 0.336 -1.442) 1.924 2.659 ( 6.289 -1.343 -1.064) 6.518 2.714 ( 0.018 -3.117 0.698) 3.194 2.779 ( 2.231 1.151 3.179) 4.051 2.810 ( -1.475 -4.159 -1.657) 4.714 2.840 ( 0.324 -2.989 -1.012) 3.172 3.001 ( 4.197 2.290 -0.451) 4.803 3.046 ( -1.869 -0.202 -2.912) 3.466 3.106 ( 5.882 -5.145 2.866) 8.324 3.240 ( -3.577 -0.038 -6.252) 7.203 3.300 ( -1.584 7.163 2.025) 7.610 3.474 ( -2.573 -1.198 0.857) 2.965 3.570 ( -0.142 2.588 -0.239) 2.603 3.599 ( 0.012 -3.071 -0.437) 3.102 3.702 ( 0.888 -1.655 0.575) 1.964 3.882 ( -1.822 0.733 0.522) 2.033 4.049 ( 0.357 -1.554 0.478) 1.665 4.261 ( -1.947 5.824 -4.013) 7.336 4.352 ( -0.200 -2.077 1.434) 2.532 4.447 ( 2.108 1.806 2.443) 3.698 4.500 ( 1.266 -1.343 2.422) 3.045 5.396 ( -0.551 0.151 -0.648) 0.864 6.397 ( 0.187 -3.360 2.750) 4.346 7.883 ( 3.490 1.160 -1.160) 3.856 8.097 ( 0.284 0.785 -2.087) 2.248 8.198 ( -3.949 0.142 2.461) 4.655 8.357 ( -2.196 2.063 -4.389) 5.324 8.681 ( -0.363 0.237 -0.031) 0.434======================= Grid point 159 (79/100) =======================q-point: (-0.14 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -1.292 1.469 14.817) 14.945 1.009 ( -4.012 0.055 15.601) 16.108 1.170 ( 6.415 0.837 -0.209) 6.473 1.413 ( 0.426 2.724 7.120) 7.635 1.521 ( -4.760 -2.178 -0.686) 5.279 1.606 ( -1.223 1.568 -6.094) 6.410 1.734 ( -1.015 1.434 -1.001) 2.022 1.748 ( -1.885 -0.261 -3.818) 4.266 1.845 ( -5.067 2.115 -4.262) 6.951 1.969 ( -7.331 -2.484 -8.107) 11.209 2.107 ( -0.637 1.565 1.151) 2.044 2.198 ( 3.920 -1.427 -2.004) 4.628 2.423 ( 1.567 2.303 4.719) 5.480 2.528 ( 5.549 0.456 3.241) 6.443 2.605 ( 3.857 -4.337 -0.955) 5.882 2.693 ( -3.239 -1.309 -0.688) 3.561 2.731 ( -2.757 1.014 0.591) 2.996 2.761 ( 1.477 -0.384 -3.847) 4.139 2.804 ( 1.365 1.762 0.401) 2.264 2.973 ( 4.504 -6.025 -0.096) 7.523 3.020 ( -0.387 -1.483 -0.057) 1.534 3.064 ( 4.933 -0.189 1.963) 5.313 3.104 ( -4.244 2.528 -5.124) 7.117 3.207 ( 0.968 5.605 -1.002) 5.776 3.317 ( 7.352 -4.126 6.368) 10.566 3.445 ( -3.813 -1.634 -1.051) 4.279 3.540 ( -0.114 -0.066 -1.011) 1.019 3.641 ( 0.924 -1.288 0.704) 1.735 3.723 ( -2.627 -3.488 -0.794) 4.439 3.843 ( -2.367 0.843 -0.381) 2.541 3.972 ( -5.361 4.515 -3.924) 8.033 4.076 ( -6.650 3.796 -4.816) 9.046 4.446 ( 3.963 -2.627 4.487) 6.537 4.521 ( 4.505 2.011 3.543) 6.074 4.569 ( 3.562 -1.276 1.814) 4.196 5.377 ( -0.727 0.278 -0.590) 0.977 6.482 ( 2.121 -3.742 2.741) 5.101 7.929 ( 4.773 0.881 -1.002) 4.956 8.061 ( -0.611 1.304 -2.620) 2.989 8.163 ( -4.184 -1.222 1.987) 4.790 8.227 ( -4.691 3.924 -3.137) 6.873 8.673 ( -0.166 0.193 -0.175) 0.309======================= Grid point 161 (80/100) =======================q-point: ( 0.14 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -4.944 -0.000 0.578) 4.977 1.100 ( 4.605 0.000 -11.364) 12.261 1.226 ( 2.078 0.000 -10.342) 10.549 1.391 ( 2.026 0.000 9.911) 10.116 1.512 ( -0.435 -0.000 7.491) 7.503 1.628 ( 1.352 0.000 -4.111) 4.327 1.714 ( 0.711 0.000 -1.279) 1.464 1.726 ( 0.257 0.000 2.519) 2.532 1.903 ( 6.645 0.000 0.827) 6.696 2.049 ( 11.075 0.000 9.125) 14.350 2.123 ( -0.549 -0.000 -0.439) 0.702 2.223 ( 2.582 0.000 -9.043) 9.404 2.403 ( -4.984 -0.000 -2.061) 5.393 2.455 ( -7.057 -0.000 -4.076) 8.150 2.574 ( -1.383 -0.000 1.065) 1.745 2.636 ( -6.132 -0.000 3.035) 6.842 2.738 ( 0.926 0.000 2.725) 2.878 2.767 ( 1.169 0.000 -0.593) 1.311 2.794 ( 2.256 0.000 1.275) 2.592 2.916 ( -8.302 -0.000 -1.886) 8.513 2.955 ( -3.153 -0.000 -0.030) 3.153 3.090 ( 3.957 0.000 5.264) 6.585 3.112 ( -0.837 -0.000 2.828) 2.950 3.169 ( 4.919 0.000 -3.355) 5.954 3.320 ( -6.081 -0.000 -6.338) 8.783 3.486 ( 2.633 0.000 2.344) 3.525 3.514 ( 0.250 0.000 1.642) 1.661 3.633 ( -1.499 -0.000 -2.318) 2.760 3.811 ( 0.130 0.000 3.359) 3.362 3.837 ( 2.987 0.000 -0.039) 2.987 3.954 ( 2.898 0.000 4.650) 5.479 4.105 ( 6.012 0.000 3.720) 7.070 4.464 ( -2.335 -0.000 -5.506) 5.981 4.475 ( -4.331 -0.000 -2.853) 5.187 4.564 ( -3.015 -0.000 -3.328) 4.491 5.378 ( 0.600 0.000 0.800) 1.000 6.490 ( -3.074 -0.000 -1.658) 3.492 7.850 ( -2.467 -0.000 0.282) 2.483 7.998 ( -1.584 -0.000 3.443) 3.790 8.252 ( 4.274 0.000 3.215) 5.348 8.271 ( 4.882 0.000 -2.452) 5.464 8.678 ( 0.542 0.000 -0.153) 0.563======================= Grid point 162 (81/100) =======================q-point: ( 0.29 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( -7.507 -1.094 -5.542) 9.394 1.139 ( 8.480 -0.777 -8.007) 11.688 1.236 ( 5.502 1.576 -5.524) 7.954 1.461 ( 0.927 1.454 6.663) 6.882 1.524 ( -3.531 0.775 2.904) 4.637 1.650 ( 1.513 -0.840 4.502) 4.823 1.730 ( -2.167 -1.226 -1.049) 2.702 1.770 ( 0.917 -3.796 2.841) 4.830 2.002 ( 4.780 2.154 0.640) 5.282 2.099 ( 0.504 1.804 0.409) 1.917 2.169 ( 2.579 1.413 -7.279) 7.851 2.250 ( -9.217 -3.085 -5.387) 11.112 2.268 ( 3.779 -2.070 -0.235) 4.315 2.406 ( 2.002 -0.492 2.512) 3.250 2.554 ( -2.871 1.098 1.704) 3.515 2.565 ( -0.858 1.462 0.538) 1.779 2.720 ( -1.744 0.020 0.751) 1.899 2.758 ( -2.442 -0.636 1.595) 2.985 2.797 ( -3.633 2.973 0.103) 4.696 2.840 ( 1.087 -1.579 -0.486) 1.977 2.963 ( 1.576 -0.651 0.744) 1.860 3.098 ( 2.147 3.334 0.387) 3.984 3.130 ( -3.740 6.069 -4.243) 8.296 3.220 ( 3.052 1.164 8.510) 9.116 3.294 ( 3.312 -6.830 -4.692) 8.924 3.499 ( 1.062 -0.759 -0.650) 1.458 3.556 ( 1.087 0.559 1.544) 1.969 3.609 ( -0.289 -1.927 -1.575) 2.505 3.754 ( -1.009 7.234 0.274) 7.309 3.884 ( -0.540 -2.361 0.768) 2.541 4.036 ( 0.766 -2.083 2.038) 3.013 4.194 ( 0.032 -2.724 -0.193) 2.731 4.381 ( -1.016 1.474 -0.556) 1.874 4.428 ( -0.795 -1.809 -2.816) 3.439 4.497 ( -2.895 0.096 -0.587) 2.956 5.394 ( 0.477 -0.063 0.787) 0.923 6.419 ( -3.097 1.374 -0.916) 3.510 7.837 ( 0.205 -0.616 -0.206) 0.681 8.018 ( -1.227 -1.736 4.288) 4.787 8.301 ( 2.710 2.264 0.098) 3.533 8.350 ( 3.500 -1.764 0.020) 3.920 8.686 ( 0.445 -0.035 0.009) 0.447======================= Grid point 163 (82/100) =======================q-point: (-0.57 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( -5.051 -4.937 -4.207) 8.221 1.172 ( -0.090 5.303 -1.445) 5.497 1.242 ( 2.971 4.830 -2.536) 6.211 1.451 ( -3.103 -0.321 3.406) 4.619 1.551 ( 3.243 -1.440 3.525) 5.001 1.653 ( -4.177 -0.183 0.082) 4.181 1.726 ( 1.005 -2.467 0.268) 2.677 1.860 ( 0.343 -5.207 2.913) 5.976 1.990 ( 0.372 2.056 -1.942) 2.852 2.089 ( -3.724 0.776 -4.581) 5.954 2.152 ( -1.910 -1.757 -1.855) 3.190 2.183 ( 5.310 -0.148 -2.328) 5.800 2.281 ( -1.307 -1.831 -0.078) 2.251 2.427 ( -2.388 0.017 2.312) 3.324 2.542 ( 2.922 0.861 -0.844) 3.161 2.590 ( 2.563 1.438 2.243) 3.696 2.702 ( -3.029 1.068 2.952) 4.362 2.728 ( 1.043 4.084 0.068) 4.216 2.783 ( 1.483 -1.132 0.906) 2.074 2.851 ( -0.435 -0.525 -1.716) 1.847 2.991 ( 0.294 5.706 -1.331) 5.866 3.009 ( 2.755 -0.522 0.868) 2.935 3.120 ( 1.497 -0.584 -1.665) 2.314 3.235 ( -2.473 1.082 1.318) 3.004 3.365 ( 1.798 -2.933 -1.957) 3.958 3.485 ( -1.644 -0.091 -3.464) 3.835 3.585 ( 0.936 0.500 0.793) 1.325 3.662 ( -1.459 2.709 -1.802) 3.565 3.678 ( 4.147 -1.497 3.423) 5.582 3.895 ( -1.126 -1.694 0.203) 2.044 4.003 ( -2.202 2.814 -2.413) 4.312 4.211 ( -2.195 -6.243 -0.609) 6.645 4.403 ( -0.810 -0.887 -0.050) 1.202 4.415 ( 0.925 0.244 2.909) 3.062 4.474 ( -0.870 0.037 1.595) 1.818 5.404 ( 0.224 0.088 0.309) 0.392 6.357 ( -2.884 0.276 -0.132) 2.900 7.863 ( 2.585 -0.090 -0.326) 2.607 8.056 ( -1.111 -2.012 4.158) 4.751 8.296 ( 0.201 2.954 0.141) 2.964 8.403 ( 2.340 -0.518 -1.863) 3.036 8.691 ( 0.101 0.142 0.096) 0.199======================= Grid point 164 (83/100) =======================q-point: (-0.43 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( -1.984 -8.045 0.711) 8.316 1.043 ( -6.485 6.946 7.650) 12.200 1.186 ( 0.412 4.529 -0.896) 4.635 1.477 ( 0.497 1.066 5.389) 5.516 1.585 ( -1.902 1.663 -1.605) 2.993 1.632 ( -1.614 -4.419 -0.860) 4.783 1.780 ( 2.746 -0.518 -1.046) 2.984 1.911 ( -0.957 -3.250 -0.460) 3.419 1.946 ( -3.638 5.294 0.143) 6.425 1.991 ( -0.860 -0.370 -4.489) 4.586 2.104 ( 0.707 0.598 -1.559) 1.813 2.233 ( -0.652 -0.927 -1.938) 2.245 2.321 ( 0.070 -3.920 2.405) 4.599 2.438 ( 2.464 1.261 3.469) 4.438 2.581 ( 0.840 -2.608 -0.744) 2.839 2.620 ( 1.428 -0.561 -1.783) 2.352 2.690 ( 0.428 1.382 -0.186) 1.459 2.697 ( 1.735 1.855 3.971) 4.714 2.794 ( -1.577 -0.392 -0.998) 1.907 2.848 ( 2.423 1.376 0.152) 2.791 3.027 ( 6.216 -0.513 1.260) 6.363 3.060 ( 1.869 1.707 -2.717) 3.714 3.072 ( -0.014 1.042 -1.393) 1.740 3.232 ( -0.873 -0.702 -1.298) 1.715 3.365 ( -2.935 -1.738 -2.085) 3.998 3.439 ( -0.833 0.873 0.496) 1.304 3.549 ( -3.030 -0.415 -3.152) 4.392 3.644 ( 1.431 2.526 -1.260) 3.165 3.708 ( -0.582 0.750 0.093) 0.954 3.904 ( -0.588 0.410 0.214) 0.748 3.985 ( 0.941 -3.098 1.089) 3.416 4.247 ( -0.435 -5.741 -0.192) 5.760 4.351 ( -4.046 1.345 -1.388) 4.484 4.466 ( -0.144 -1.053 2.590) 2.799 4.499 ( 3.262 1.630 4.566) 5.843 5.403 ( -0.074 0.445 -0.211) 0.498 6.328 ( -2.254 -2.305 0.953) 3.362 7.909 ( 4.114 1.003 -0.335) 4.248 8.085 ( -1.052 -1.165 2.777) 3.189 8.248 ( -2.109 3.269 0.943) 4.003 8.400 ( 0.863 1.686 -4.185) 4.594 8.688 ( -0.201 0.356 0.112) 0.424======================= Grid point 165 (84/100) =======================q-point: (-0.29 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( -1.809 -6.917 7.637) 10.461 1.007 ( 0.914 4.613 12.963) 13.790 1.184 ( 2.278 -0.498 -0.184) 2.340 1.489 ( -1.740 3.206 -2.414) 4.375 1.509 ( -1.840 1.774 2.632) 3.669 1.621 ( -0.712 -0.751 -2.437) 2.648 1.745 ( -3.643 2.052 -1.085) 4.320 1.823 ( -1.071 5.070 -0.805) 5.244 1.885 ( -5.391 0.225 -0.655) 5.436 1.955 ( 0.943 2.566 -4.556) 5.313 2.151 ( 1.876 -0.524 -2.593) 3.243 2.165 ( -1.046 0.902 1.075) 1.750 2.406 ( 1.775 -4.377 3.161) 5.684 2.515 ( 3.512 -0.474 3.128) 4.726 2.589 ( 0.725 0.787 -1.365) 1.734 2.637 ( -0.827 -2.957 -2.962) 4.266 2.717 ( -0.623 -4.941 0.630) 5.020 2.731 ( -2.538 -0.273 0.642) 2.632 2.810 ( 4.941 -3.244 -0.914) 5.981 2.856 ( -0.465 1.564 0.250) 1.650 3.011 ( 2.454 1.448 -2.293) 3.657 3.117 ( 5.246 2.882 0.300) 5.993 3.152 ( -0.274 1.331 -2.202) 2.588 3.209 ( 4.333 -4.272 3.156) 6.854 3.308 ( -3.026 0.691 -0.759) 3.196 3.398 ( -3.385 0.603 -0.658) 3.501 3.512 ( -1.075 -3.242 -2.571) 4.275 3.589 ( -2.017 1.983 -1.953) 3.437 3.738 ( 1.892 -1.105 0.793) 2.330 3.866 ( -1.988 2.089 0.008) 2.883 4.006 ( -1.822 -0.506 -1.103) 2.189 4.197 ( -6.757 4.516 -3.899) 9.014 4.360 ( 2.687 -5.082 3.871) 6.930 4.517 ( 2.390 -2.847 0.479) 3.748 4.573 ( 3.607 2.161 4.727) 6.327 5.390 ( -0.335 0.830 -0.305) 0.946 6.363 ( -0.314 -5.620 1.920) 5.947 7.961 ( 4.538 1.697 -0.284) 4.853 8.083 ( -1.776 0.467 0.154) 1.843 8.185 ( -2.954 2.558 2.956) 4.899 8.325 ( -0.852 4.662 -5.366) 7.159 8.680 ( -0.173 0.441 0.034) 0.474======================= Grid point 166 (85/100) =======================q-point: (-0.14 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -0.565 -1.292 12.379) 12.459 1.144 ( 3.503 2.168 13.532) 14.145 1.208 ( 2.417 -1.603 -6.129) 6.781 1.365 ( -2.981 1.602 -7.143) 7.904 1.538 ( -3.838 -2.121 -0.685) 4.439 1.542 ( 1.987 0.996 -2.362) 3.243 1.713 ( -0.456 1.180 1.055) 1.648 1.770 ( -2.371 3.958 0.913) 4.703 1.785 ( 1.320 2.174 1.473) 2.939 1.900 ( 1.015 5.491 -2.176) 5.993 2.122 ( -0.291 0.560 0.828) 1.041 2.211 ( 2.283 -1.550 -2.434) 3.680 2.481 ( 0.112 -1.693 3.156) 3.583 2.561 ( -2.901 -1.202 -0.467) 3.174 2.575 ( 0.532 1.503 -2.280) 2.782 2.626 ( -1.191 -1.983 -0.352) 2.340 2.685 ( 1.131 -2.485 -2.665) 3.815 2.781 ( 0.864 -1.361 0.145) 1.618 2.817 ( -1.136 0.273 0.482) 1.264 2.943 ( 0.801 -8.133 -0.072) 8.173 3.016 ( -1.131 0.220 -0.614) 1.305 3.088 ( 2.021 5.257 -0.648) 5.669 3.144 ( -0.201 1.572 0.209) 1.598 3.268 ( 0.814 1.463 2.818) 3.278 3.331 ( -4.856 -2.081 -0.990) 5.374 3.425 ( 6.528 -5.762 3.877) 9.532 3.511 ( -0.739 -1.512 -0.355) 1.719 3.532 ( -2.091 -4.050 -5.539) 7.173 3.774 ( 2.078 3.424 1.640) 4.328 3.804 ( -2.657 0.578 -0.194) 2.726 3.969 ( 1.233 3.219 0.059) 3.447 4.000 ( -5.251 7.091 -1.613) 8.970 4.477 ( 1.623 -3.758 2.447) 4.769 4.572 ( -0.482 -2.778 0.063) 2.820 4.633 ( 3.480 0.975 -0.855) 3.714 5.373 ( -0.225 0.857 -0.074) 0.890 6.457 ( 0.801 -7.091 0.741) 7.175 8.002 ( 0.190 2.390 0.287) 2.415 8.021 ( -1.885 0.335 -0.147) 1.920 8.153 ( -0.628 3.763 2.927) 4.809 8.222 ( 0.932 4.042 -3.900) 5.693 8.674 ( 0.094 0.387 -0.141) 0.422======================= Grid point 169 (86/100) =======================q-point: ( 0.29 0.29 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( -7.299 -0.000 -7.537) 10.492 1.244 ( 8.425 0.000 -1.345) 8.531 1.313 ( 5.257 0.000 -2.464) 5.805 1.455 ( -7.451 -0.000 1.964) 7.706 1.512 ( -2.687 -0.000 4.173) 4.963 1.677 ( -2.820 -0.000 -1.451) 3.172 1.678 ( 2.270 0.000 1.125) 2.534 1.779 ( 0.378 0.000 2.818) 2.843 2.034 ( -0.319 -0.000 -4.596) 4.607 2.069 ( -5.317 -0.000 -4.126) 6.731 2.137 ( 1.187 0.000 2.006) 2.331 2.170 ( 4.131 0.000 -3.361) 5.326 2.250 ( 0.924 0.000 -2.806) 2.954 2.464 ( -3.069 -0.000 2.496) 3.955 2.521 ( -1.959 -0.000 -0.292) 1.980 2.633 ( 2.282 0.000 4.369) 4.929 2.730 ( 1.705 0.000 1.677) 2.392 2.750 ( 2.317 0.000 5.731) 6.181 2.805 ( 2.164 0.000 -3.165) 3.834 2.853 ( 1.032 0.000 2.878) 3.058 2.948 ( -3.360 -0.000 -0.169) 3.364 3.086 ( -3.927 -0.000 -5.146) 6.473 3.125 ( 2.656 0.000 -2.535) 3.671 3.288 ( 4.916 0.000 -4.652) 6.768 3.292 ( -0.564 -0.000 4.917) 4.949 3.511 ( -0.241 -0.000 -3.505) 3.513 3.559 ( -0.187 -0.000 -2.637) 2.643 3.626 ( 5.876 0.000 3.223) 6.702 3.758 ( -4.970 -0.000 -1.331) 5.145 3.847 ( -1.438 -0.000 1.981) 2.448 4.053 ( 0.939 0.000 -0.215) 0.963 4.105 ( -4.559 -0.000 -4.696) 6.545 4.394 ( 0.689 0.000 1.507) 1.657 4.419 ( -0.945 -0.000 3.219) 3.355 4.472 ( -0.733 -0.000 2.360) 2.471 5.405 ( 0.324 0.000 0.546) 0.635 6.363 ( -3.923 -0.000 -0.576) 3.966 7.861 ( 3.093 0.000 -0.012) 3.093 8.031 ( -0.698 -0.000 4.901) 4.951 8.341 ( -1.495 -0.000 2.187) 2.649 8.388 ( 4.881 0.000 -3.196) 5.834 8.692 ( 0.244 0.000 0.127) 0.276======================= Grid point 170 (87/100) =======================q-point: (-0.57 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -4.633 -6.932 -7.045) 10.916 1.211 ( -6.377 7.377 3.206) 10.264 1.320 ( -1.258 4.534 1.014) 4.813 1.449 ( 2.465 -2.309 3.237) 4.678 1.514 ( -1.124 -3.966 0.756) 4.191 1.629 ( -1.148 0.208 -1.115) 1.614 1.753 ( 4.339 -0.829 -0.236) 4.424 1.827 ( 0.761 -3.054 1.832) 3.641 1.990 ( -0.218 0.004 -3.382) 3.389 1.997 ( -0.527 -0.137 -2.155) 2.223 2.149 ( 0.273 1.299 -0.306) 1.362 2.219 ( 2.590 -0.450 -1.970) 3.285 2.268 ( 1.739 -0.100 -0.390) 1.785 2.399 ( -4.126 -0.215 3.803) 5.615 2.522 ( -0.516 -3.262 -0.984) 3.446 2.650 ( -0.776 1.805 1.430) 2.430 2.752 ( -2.163 1.494 -4.732) 5.413 2.765 ( 0.699 3.020 -0.517) 3.143 2.842 ( -0.266 4.883 2.888) 5.679 2.859 ( 3.798 0.057 2.530) 4.564 2.965 ( 1.945 -4.904 1.405) 5.459 3.036 ( -1.981 -3.718 0.728) 4.276 3.140 ( 5.462 4.555 -4.216) 8.268 3.266 ( 1.902 3.555 -1.015) 4.158 3.367 ( 1.735 -1.511 -0.561) 2.368 3.431 ( -2.307 0.543 -4.120) 4.753 3.536 ( -2.294 -0.071 -2.652) 3.507 3.668 ( -2.017 -0.056 -2.042) 2.871 3.740 ( 1.147 1.228 0.949) 1.930 3.833 ( -0.975 -4.445 -0.332) 4.562 3.999 ( -0.266 3.380 -0.350) 3.408 4.106 ( -0.626 -6.094 0.205) 6.130 4.379 ( -3.515 1.621 1.244) 4.066 4.426 ( -1.931 -2.270 2.401) 3.828 4.526 ( 3.334 0.635 5.119) 6.142 5.412 ( 0.281 0.268 0.141) 0.413 6.299 ( -3.721 -0.528 -0.229) 3.765 7.924 ( 4.661 0.326 0.203) 4.677 8.064 ( -0.501 -0.573 4.551) 4.614 8.307 ( -2.852 1.563 1.025) 3.410 8.428 ( 3.388 0.728 -3.358) 4.825 8.694 ( -0.071 0.185 0.193) 0.276======================= Grid point 171 (88/100) =======================q-point: (-0.43 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -1.190 -14.207 -3.784) 14.751 1.117 ( -1.841 4.294 9.052) 10.186 1.245 ( -0.101 5.741 1.987) 6.077 1.489 ( -4.497 -2.545 -2.891) 5.921 1.541 ( 0.121 -0.539 4.216) 4.252 1.611 ( 0.374 0.907 -1.731) 1.989 1.779 ( -0.344 0.450 0.035) 0.568 1.893 ( 1.255 0.205 2.839) 3.111 1.967 ( 3.065 1.459 -1.571) 3.740 1.997 ( 0.470 4.775 -2.843) 5.577 2.150 ( 3.777 1.648 0.603) 4.165 2.194 ( -1.894 1.541 -2.384) 3.412 2.303 ( 1.209 -3.289 1.372) 3.763 2.451 ( 0.010 -7.041 3.438) 7.836 2.539 ( -1.133 -3.431 -4.445) 5.728 2.563 ( -3.677 0.558 -1.853) 4.155 2.666 ( -3.016 -1.315 -0.682) 3.360 2.789 ( 0.561 1.560 -0.484) 1.727 2.807 ( 2.032 3.621 2.583) 4.890 2.885 ( -0.692 1.138 -0.759) 1.533 3.042 ( -1.164 -1.043 -0.955) 1.832 3.082 ( 4.054 -3.405 3.196) 6.184 3.167 ( 4.287 1.676 -0.279) 4.611 3.225 ( 1.092 4.839 -3.311) 5.964 3.326 ( -0.288 1.970 -2.603) 3.277 3.433 ( 0.607 0.458 0.972) 1.234 3.484 ( -1.157 -0.295 -4.115) 4.285 3.616 ( -4.226 -0.929 -3.189) 5.375 3.698 ( 0.491 0.085 0.071) 0.503 3.873 ( -3.339 -2.715 -0.050) 4.303 4.002 ( 3.071 1.343 1.725) 3.770 4.207 ( 2.564 -5.365 2.266) 6.363 4.284 ( -5.347 1.196 -0.307) 5.488 4.440 ( -1.608 -3.874 -0.058) 4.195 4.614 ( 3.499 1.381 5.121) 6.354 5.409 ( 0.130 0.814 -0.033) 0.825 6.268 ( -2.026 -2.663 0.406) 3.370 7.993 ( 4.407 1.038 0.269) 4.536 8.090 ( -0.618 0.165 2.981) 3.049 8.242 ( -3.352 2.178 1.089) 4.144 8.418 ( 1.579 3.282 -3.798) 5.263 8.690 ( -0.184 0.389 0.207) 0.478======================= Grid point 172 (89/100) =======================q-point: (-0.29 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 0.460 -15.622 0.022) 15.629 1.193 ( 4.607 1.650 9.994) 11.128 1.232 ( 1.855 3.296 1.782) 4.181 1.400 ( -3.834 0.431 -4.742) 6.113 1.490 ( -4.021 0.284 -1.954) 4.480 1.612 ( 0.271 1.694 -0.749) 1.872 1.777 ( 0.539 3.203 5.119) 6.062 1.876 ( 0.374 7.028 -3.398) 7.815 1.885 ( -1.441 5.865 1.548) 6.234 2.011 ( 3.426 3.000 -0.451) 4.576 2.122 ( -1.040 0.001 -1.934) 2.196 2.185 ( 1.543 0.195 -0.917) 1.805 2.397 ( 0.722 -4.698 1.102) 4.879 2.480 ( -2.625 -4.707 0.788) 5.447 2.570 ( 0.775 -2.918 0.560) 3.070 2.605 ( 2.338 -4.504 -0.781) 5.134 2.632 ( -2.510 -6.056 -0.762) 6.600 2.727 ( -0.316 5.709 -2.233) 6.138 2.818 ( -1.478 -0.340 0.001) 1.516 2.877 ( 1.567 0.999 -0.088) 1.860 3.016 ( -2.505 -0.578 0.249) 2.583 3.150 ( 0.194 0.873 -0.274) 0.935 3.199 ( 0.817 -3.017 1.592) 3.508 3.210 ( 1.405 1.897 -0.154) 2.366 3.349 ( 2.705 -1.843 2.004) 3.837 3.370 ( -2.382 4.876 -0.931) 5.505 3.486 ( 3.159 -0.206 -4.533) 5.529 3.504 ( -4.459 0.223 -2.324) 5.033 3.769 ( 2.703 -1.542 2.037) 3.719 3.820 ( -3.691 -1.631 -0.484) 4.064 4.044 ( 2.707 4.117 1.212) 5.074 4.121 ( -4.491 3.254 -1.061) 5.646 4.384 ( 3.471 -4.913 3.853) 7.144 4.459 ( -1.702 -6.279 -2.865) 7.109 4.669 ( 1.650 1.654 1.775) 2.934 5.398 ( -0.070 1.240 0.020) 1.242 6.305 ( 0.170 -5.531 0.580) 5.564 8.034 ( 1.011 0.908 0.019) 1.359 8.069 ( -1.601 2.841 1.093) 3.440 8.201 ( 0.072 1.421 2.133) 2.564 8.349 ( 0.208 5.800 -3.498) 6.776 8.685 ( -0.035 0.478 0.114) 0.493======================= Grid point 173 (90/100) =======================q-point: (-0.14 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( 0.091 -13.002 1.398) 13.077 1.184 ( 0.423 4.193 -5.990) 7.324 1.283 ( -0.863 0.431 -9.075) 9.126 1.355 ( 4.100 4.036 10.572) 12.036 1.459 ( -1.568 -1.665 3.844) 4.473 1.584 ( 0.258 2.801 0.728) 2.906 1.763 ( 0.819 5.180 2.144) 5.666 1.811 ( 1.585 1.354 -2.558) 3.300 1.853 ( 2.593 1.886 2.087) 3.826 1.964 ( -0.540 5.653 -2.830) 6.345 2.116 ( -0.263 -0.466 0.597) 0.801 2.224 ( 3.629 -1.162 -3.605) 5.246 2.440 ( -1.445 -5.451 -0.042) 5.639 2.540 ( -2.179 -1.206 2.912) 3.832 2.578 ( 1.559 -1.968 1.649) 3.004 2.606 ( 0.592 2.730 -1.901) 3.379 2.660 ( -0.684 -0.148 0.610) 0.928 2.764 ( 3.190 -6.454 -1.084) 7.281 2.791 ( -3.703 -0.249 1.377) 3.959 2.845 ( -1.977 -1.242 -0.082) 2.336 3.003 ( -1.565 0.441 0.109) 1.629 3.110 ( -5.904 1.820 -0.299) 6.186 3.153 ( -2.022 3.768 -1.598) 4.564 3.254 ( 0.308 -5.891 0.854) 5.960 3.303 ( -1.371 3.348 0.423) 3.643 3.395 ( 0.478 -1.243 -1.941) 2.354 3.466 ( 1.577 -4.528 1.730) 5.097 3.559 ( 4.434 0.888 0.106) 4.523 3.755 ( -2.606 -1.400 -0.438) 2.990 3.854 ( 2.347 1.913 1.108) 3.224 3.980 ( -0.743 2.095 1.095) 2.478 4.128 ( 5.573 5.576 3.657) 8.690 4.437 ( -2.195 -4.368 -3.525) 6.027 4.509 ( -0.125 -4.072 0.755) 4.143 4.648 ( -1.227 1.687 -3.029) 3.678 5.385 ( 0.073 1.097 0.234) 1.124 6.384 ( 0.371 -6.547 -0.380) 6.568 7.962 ( -4.454 2.552 -0.265) 5.140 8.060 ( 0.208 2.027 2.006) 2.860 8.235 ( 3.513 1.546 2.101) 4.376 8.264 ( 0.961 5.185 -2.893) 6.015 8.681 ( 0.200 0.441 -0.038) 0.486======================= Grid point 177 (91/100) =======================q-point: ( 0.43 -0.57 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( -2.604 -0.000 -8.847) 9.223 1.178 ( -4.413 -0.000 4.450) 6.267 1.335 ( -1.278 -0.000 5.561) 5.706 1.436 ( -2.691 -0.000 -4.050) 4.862 1.537 ( 0.103 0.000 4.811) 4.812 1.619 ( 1.071 0.000 -1.566) 1.897 1.777 ( 0.548 0.000 -0.438) 0.702 1.874 ( 2.393 0.000 4.081) 4.731 1.996 ( 3.807 0.000 -3.004) 4.850 2.037 ( 7.736 0.000 0.702) 7.768 2.162 ( 1.406 0.000 -0.929) 1.685 2.230 ( -0.197 -0.000 -1.121) 1.139 2.305 ( 1.615 0.000 -0.808) 1.806 2.356 ( -3.457 -0.000 4.159) 5.408 2.482 ( -0.881 -0.000 -3.923) 4.020 2.594 ( -7.406 -0.000 -5.274) 9.092 2.631 ( -4.478 -0.000 -0.585) 4.516 2.783 ( 1.249 0.000 0.002) 1.249 2.874 ( -2.577 -0.000 -0.628) 2.652 2.919 ( 0.503 0.000 4.661) 4.688 2.969 ( 0.796 0.000 -1.016) 1.291 3.064 ( 3.833 0.000 5.121) 6.397 3.228 ( 5.301 0.000 -4.501) 6.954 3.302 ( 2.246 0.000 -4.030) 4.614 3.341 ( -3.687 -0.000 -5.247) 6.413 3.430 ( 6.294 0.000 4.499) 7.736 3.477 ( -2.728 -0.000 -5.776) 6.388 3.575 ( -5.252 -0.000 -0.658) 5.293 3.752 ( -1.236 -0.000 -0.903) 1.531 3.796 ( -1.049 -0.000 0.497) 1.161 4.044 ( 2.451 0.000 1.117) 2.694 4.109 ( 4.108 0.000 3.969) 5.712 4.318 ( -6.976 -0.000 0.603) 7.002 4.377 ( -2.272 -0.000 -1.268) 2.602 4.630 ( 3.399 0.000 5.284) 6.283 5.419 ( 0.328 0.000 0.067) 0.335 6.240 ( -2.569 -0.000 -0.196) 2.577 8.005 ( 4.438 0.000 0.391) 4.456 8.091 ( -0.184 -0.000 3.933) 3.937 8.268 ( -3.277 -0.000 0.311) 3.292 8.456 ( 2.118 0.000 -2.728) 3.454 8.695 ( -0.187 -0.000 0.258) 0.319======================= Grid point 179 (92/100) =======================q-point: (-0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( 1.211 -12.945 -5.808) 14.240 1.199 ( 2.005 0.300 6.385) 6.699 1.335 ( -0.513 2.610 -1.744) 3.181 1.391 ( 0.359 0.165 0.433) 0.586 1.510 ( -4.791 0.841 1.612) 5.124 1.619 ( -0.046 -0.474 0.022) 0.477 1.817 ( 1.813 0.835 3.891) 4.373 1.928 ( -0.022 -1.763 2.353) 2.940 2.006 ( 1.332 1.211 -4.087) 4.466 2.091 ( 2.435 8.173 -3.590) 9.253 2.187 ( 0.519 4.131 -0.911) 4.262 2.250 ( 2.348 1.213 1.539) 3.058 2.291 ( -0.581 -2.939 0.768) 3.093 2.375 ( -1.938 -2.803 -1.415) 3.691 2.415 ( 0.653 -6.336 -2.219) 6.745 2.529 ( -1.153 -0.988 0.137) 1.524 2.573 ( -1.570 -3.029 -0.757) 3.494 2.800 ( -0.497 -0.466 0.924) 1.148 2.826 ( -1.904 1.401 -0.139) 2.368 2.936 ( 1.617 2.960 2.177) 4.014 2.980 ( -1.816 -1.686 0.323) 2.499 3.152 ( 2.223 -0.335 4.716) 5.224 3.213 ( -1.307 2.984 -3.311) 4.645 3.247 ( -0.472 1.651 -3.931) 4.290 3.316 ( 1.098 -0.532 -1.301) 1.784 3.407 ( -2.264 -2.351 -4.876) 5.868 3.503 ( 0.358 0.149 -0.111) 0.403 3.562 ( 2.486 4.304 1.218) 5.117 3.735 ( 2.673 -0.770 1.451) 3.138 3.757 ( -5.449 -2.513 -0.659) 6.037 4.128 ( 6.729 2.655 3.191) 7.906 4.176 ( -6.808 2.412 -2.031) 7.502 4.247 ( 3.453 -6.096 2.872) 7.572 4.344 ( -2.439 -3.484 -1.958) 4.682 4.697 ( 1.279 0.690 2.280) 2.704 5.420 ( 0.075 0.595 0.009) 0.599 6.226 ( -0.086 -1.636 0.047) 1.639 8.051 ( 0.830 0.473 -0.157) 0.968 8.111 ( -0.240 0.809 2.315) 2.464 8.229 ( -0.569 0.888 0.636) 1.231 8.443 ( 0.120 2.268 -2.013) 3.035 8.693 ( -0.130 0.224 0.264) 0.370======================= Grid point 180 (93/100) =======================q-point: (-0.29 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 2.609 -16.862 -1.720) 17.149 1.257 ( -0.057 -0.514 -4.464) 4.494 1.293 ( 1.119 4.296 -2.178) 4.945 1.401 ( 3.417 -0.478 3.829) 5.154 1.480 ( -1.335 2.967 7.663) 8.325 1.620 ( -0.498 -0.245 -0.638) 0.845 1.818 ( -2.309 -0.065 -1.759) 2.903 1.914 ( -1.903 3.251 1.113) 3.927 1.945 ( -0.896 7.400 0.150) 7.455 2.001 ( -1.144 -0.524 -3.764) 3.969 2.166 ( 2.873 3.559 -2.474) 5.200 2.207 ( -0.097 1.000 -2.081) 2.311 2.313 ( -2.319 -5.099 0.263) 5.608 2.440 ( 2.886 -5.199 4.256) 7.312 2.509 ( 1.114 -6.860 -2.279) 7.314 2.569 ( 0.330 -0.520 -1.313) 1.450 2.646 ( 5.400 -2.122 2.656) 6.381 2.767 ( -2.446 3.398 0.986) 4.301 2.803 ( 0.359 0.912 2.911) 3.071 2.891 ( -1.945 4.016 -2.217) 4.983 2.999 ( -0.214 -0.707 2.895) 2.988 3.137 ( -3.663 -2.431 -2.484) 5.050 3.173 ( -2.131 3.389 0.172) 4.007 3.219 ( 0.222 0.533 -0.353) 0.677 3.305 ( -2.606 -1.668 -2.022) 3.696 3.399 ( 1.157 -0.480 3.071) 3.317 3.458 ( -0.749 3.447 -1.263) 3.746 3.581 ( 4.835 0.975 0.196) 4.936 3.702 ( -3.328 -1.965 0.042) 3.865 3.851 ( 4.083 -2.458 2.212) 5.254 4.030 ( -4.987 2.425 -1.459) 5.734 4.213 ( 4.072 1.919 1.956) 4.908 4.315 ( -1.432 -5.360 -3.324) 6.468 4.418 ( 3.995 -3.990 2.169) 6.048 4.684 ( -1.603 1.301 -1.926) 2.823 5.410 ( -0.115 1.005 -0.015) 1.012 6.271 ( 1.711 -3.320 0.131) 3.737 8.007 ( -3.661 1.356 -1.147) 4.069 8.106 ( 0.056 1.808 1.381) 2.276 8.253 ( 3.251 0.561 0.643) 3.361 8.382 ( -1.408 4.266 -0.826) 4.568 8.690 ( 0.008 0.362 0.173) 0.401======================= Grid point 181 (94/100) =======================q-point: (-0.14 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 1.311 -13.938 -0.725) 14.018 1.197 ( -1.923 1.423 -2.086) 3.174 1.220 ( 3.381 4.777 -9.820) 11.432 1.464 ( -3.169 1.685 5.879) 6.888 1.534 ( 3.048 1.690 4.251) 5.497 1.611 ( 1.601 -0.245 1.404) 2.144 1.780 ( -2.084 -2.886 -1.039) 3.708 1.853 ( 0.223 3.572 1.704) 3.964 1.926 ( 1.008 1.385 1.912) 2.567 1.965 ( 0.728 1.930 1.223) 2.398 2.147 ( 1.288 -0.309 -5.345) 5.506 2.223 ( 2.762 -1.027 -1.291) 3.217 2.353 ( -0.187 -5.092 -0.678) 5.140 2.488 ( -3.255 1.149 -1.194) 3.653 2.578 ( 0.241 -2.289 -0.501) 2.356 2.598 ( 0.900 -2.244 -0.105) 2.420 2.702 ( -2.495 -1.235 1.122) 3.001 2.716 ( 0.431 1.258 2.545) 2.872 2.787 ( 1.041 2.764 -2.603) 3.937 2.881 ( 1.976 0.514 1.263) 2.401 2.949 ( -3.212 2.155 0.732) 3.936 3.043 ( -5.593 2.160 -0.324) 6.004 3.133 ( -4.410 -0.114 -1.878) 4.795 3.170 ( -0.144 1.158 1.785) 2.133 3.336 ( 3.570 -3.743 1.545) 5.398 3.455 ( 1.073 -1.601 0.104) 1.930 3.477 ( 4.173 1.175 3.588) 5.628 3.618 ( 0.021 1.863 0.808) 2.031 3.705 ( 0.102 -1.780 0.269) 1.803 3.899 ( 0.260 0.986 0.390) 1.092 3.983 ( -0.847 -2.501 0.974) 2.814 4.249 ( -0.377 -2.759 0.123) 2.787 4.340 ( 2.715 0.432 -0.494) 2.794 4.498 ( 1.504 -1.006 -0.677) 1.932 4.596 ( -3.432 1.713 -4.965) 6.274 5.399 ( 0.097 0.858 0.183) 0.882 6.338 ( 1.332 -3.517 -0.050) 3.761 7.919 ( -3.382 1.774 -1.227) 4.012 8.096 ( -0.375 1.868 1.690) 2.547 8.288 ( 1.480 2.218 -3.416) 4.334 8.330 ( 1.311 1.914 3.325) 4.054 8.688 ( 0.108 0.341 0.048) 0.360======================= Grid point 186 (95/100) =======================q-point: (-0.43 -0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( 5.509 0.000 -3.385) 6.466 1.257 ( 0.983 0.000 -3.503) 3.638 1.338 ( 4.018 0.000 5.702) 6.976 1.404 ( -1.218 -0.000 -1.407) 1.861 1.520 ( -1.157 -0.000 5.803) 5.918 1.599 ( -1.475 -0.000 0.523) 1.565 1.815 ( -2.944 -0.000 -3.785) 4.795 1.926 ( 0.817 0.000 -1.095) 1.367 2.011 ( 1.915 0.000 -3.041) 3.594 2.085 ( -11.800 -0.000 -4.466) 12.617 2.136 ( -1.559 -0.000 0.089) 1.562 2.245 ( 3.042 0.000 -1.694) 3.482 2.268 ( -2.746 -0.000 2.681) 3.838 2.380 ( 3.694 0.000 3.663) 5.202 2.441 ( 5.282 0.000 -3.843) 6.532 2.561 ( 1.339 0.000 0.501) 1.430 2.607 ( 7.957 0.000 2.348) 8.296 2.774 ( -2.990 -0.000 0.983) 3.147 2.830 ( 0.397 0.000 3.135) 3.160 2.961 ( -0.497 -0.000 -0.143) 0.517 2.970 ( -0.323 -0.000 0.926) 0.980 3.140 ( -5.291 -0.000 -1.983) 5.650 3.201 ( -3.206 -0.000 -2.778) 4.242 3.236 ( 3.332 0.000 5.332) 6.288 3.283 ( -2.627 -0.000 -2.075) 3.348 3.389 ( 2.871 0.000 1.692) 3.332 3.489 ( -3.850 -0.000 -1.343) 4.078 3.587 ( 1.482 0.000 -2.152) 2.613 3.737 ( -0.663 -0.000 0.833) 1.064 3.774 ( 3.193 0.000 2.776) 4.231 4.068 ( -5.383 -0.000 -1.539) 5.599 4.183 ( -3.740 -0.000 -3.511) 5.129 4.305 ( 8.912 0.000 2.129) 9.162 4.345 ( 3.363 0.000 1.855) 3.841 4.699 ( -1.661 -0.000 -1.677) 2.360 5.422 ( -0.167 -0.000 -0.147) 0.222 6.235 ( 2.143 0.000 0.277) 2.161 8.022 ( -3.360 -0.000 -1.343) 3.618 8.127 ( 0.059 0.000 0.625) 0.628 8.261 ( 2.626 0.000 1.148) 2.866 8.432 ( -1.889 -0.000 -0.570) 1.973 8.695 ( -0.071 -0.000 0.258) 0.267======================= Grid point 187 (96/100) =======================q-point: (-0.29 -0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( 6.127 -9.777 0.723) 11.561 1.236 ( -1.534 2.518 0.702) 3.031 1.367 ( 4.328 6.485 -3.609) 8.591 1.437 ( -7.642 -2.056 5.897) 9.869 1.517 ( 3.494 -4.804 -0.972) 6.019 1.598 ( 0.473 -0.447 1.191) 1.357 1.750 ( -2.871 0.931 0.027) 3.018 1.873 ( -5.195 -0.272 -2.612) 5.821 1.950 ( 1.563 1.375 0.600) 2.166 2.021 ( 1.350 -1.599 -4.003) 4.517 2.116 ( -2.057 1.024 1.648) 2.828 2.237 ( 0.892 0.608 -2.346) 2.582 2.269 ( -1.023 -2.241 -1.115) 2.704 2.464 ( 2.423 -0.240 -1.401) 2.809 2.504 ( 2.325 -2.521 0.370) 3.449 2.622 ( 5.259 2.268 5.343) 7.833 2.691 ( 1.167 -0.080 -0.127) 1.176 2.741 ( -1.924 -0.029 1.326) 2.337 2.874 ( 1.044 1.200 -0.010) 1.591 2.900 ( -1.044 3.937 -0.001) 4.073 3.002 ( -2.665 -4.123 -1.425) 5.112 3.039 ( -1.552 3.520 -0.344) 3.862 3.123 ( -3.918 -2.472 -2.041) 5.063 3.214 ( -2.298 4.036 1.265) 4.813 3.334 ( 2.698 1.156 4.681) 5.525 3.409 ( -1.790 -1.028 -1.277) 2.428 3.476 ( 3.139 -1.614 2.724) 4.459 3.633 ( 2.197 -0.178 1.182) 2.502 3.710 ( 0.669 2.935 2.521) 3.927 3.834 ( -2.018 -5.888 -0.099) 6.225 3.997 ( -1.230 3.311 -0.006) 3.532 4.135 ( -2.034 -5.304 -2.512) 6.211 4.385 ( 3.901 2.363 0.454) 4.583 4.460 ( 5.263 -2.205 -0.607) 5.738 4.626 ( -3.586 0.733 -4.702) 5.959 5.415 ( -0.116 0.453 -0.169) 0.497 6.289 ( 2.925 -0.989 0.752) 3.178 7.945 ( -3.751 0.587 -1.901) 4.246 8.123 ( 0.171 0.601 -0.878) 1.078 8.314 ( 3.081 0.456 0.409) 3.141 8.380 ( -3.229 1.602 1.081) 3.763 8.694 ( -0.098 0.164 0.163) 0.252======================= Grid point 188 (97/100) =======================q-point: (-0.14 -0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 4.114 -9.205 2.485) 10.384 1.150 ( -5.602 1.827 1.614) 6.109 1.249 ( -5.874 3.084 -3.663) 7.578 1.454 ( 2.864 -0.877 3.047) 4.273 1.570 ( -3.690 2.310 0.270) 4.362 1.657 ( 4.497 -3.155 -0.203) 5.497 1.720 ( -0.148 -1.092 1.092) 1.551 1.867 ( 1.036 -2.703 2.032) 3.537 1.976 ( 0.131 1.924 4.174) 4.598 2.037 ( 3.388 -1.881 -3.666) 5.334 2.091 ( -0.489 0.885 1.460) 1.776 2.220 ( -0.493 -0.517 -3.617) 3.687 2.292 ( -0.436 -4.868 -1.075) 5.004 2.477 ( 2.130 1.017 -2.159) 3.199 2.520 ( -2.595 -1.187 0.644) 2.925 2.640 ( -1.713 5.933 -1.365) 6.325 2.705 ( 0.360 2.146 3.007) 3.711 2.738 ( 2.209 0.535 -0.784) 2.404 2.814 ( -1.051 -0.225 -2.748) 2.951 2.846 ( -0.227 2.774 -1.629) 3.225 2.978 ( -1.867 3.048 0.578) 3.621 3.029 ( 0.429 -0.189 0.320) 0.568 3.080 ( -0.267 1.089 -0.305) 1.161 3.200 ( -0.290 -1.487 4.204) 4.468 3.360 ( 1.207 -1.346 0.366) 1.845 3.439 ( 0.795 -2.252 1.154) 2.653 3.569 ( 3.033 -1.394 2.038) 3.911 3.623 ( -2.118 2.197 1.302) 3.318 3.728 ( -0.217 0.988 -0.491) 1.124 3.863 ( -0.687 -3.461 2.175) 4.145 3.964 ( -0.014 1.034 1.480) 1.806 4.191 ( 1.236 -5.788 1.081) 6.017 4.410 ( 1.870 0.937 -0.654) 2.191 4.498 ( -1.834 0.583 -4.741) 5.117 4.524 ( -0.344 1.237 -3.385) 3.620 5.408 ( 0.079 0.489 -0.106) 0.507 6.345 ( 1.701 -0.601 1.086) 2.106 7.877 ( -1.762 0.497 -1.801) 2.568 8.112 ( 0.132 0.546 -0.780) 0.961 8.291 ( -2.443 2.369 -0.374) 3.424 8.380 ( 1.698 -0.367 0.972) 1.991 8.691 ( -0.179 0.140 0.045) 0.232======================= Grid point 194 (98/100) =======================q-point: (-0.29 -0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( 7.945 0.000 4.287) 9.027 1.226 ( -7.269 -0.000 5.062) 8.858 1.234 ( -15.536 -0.000 1.620) 15.620 1.502 ( 6.782 0.000 -2.953) 7.397 1.504 ( 2.385 0.000 1.407) 2.770 1.654 ( 3.496 0.000 1.565) 3.830 1.703 ( -3.183 -0.000 -0.309) 3.198 1.827 ( 1.030 0.000 -0.310) 1.076 2.000 ( 3.378 0.000 1.840) 3.847 2.013 ( 3.454 0.000 -3.067) 4.619 2.106 ( -4.221 -0.000 3.001) 5.179 2.215 ( -1.480 -0.000 0.457) 1.549 2.220 ( -0.198 -0.000 -5.605) 5.608 2.495 ( 0.608 0.000 -0.982) 1.155 2.514 ( 2.540 0.000 0.927) 2.704 2.698 ( -0.779 -0.000 4.706) 4.770 2.722 ( 3.379 0.000 -4.252) 5.431 2.794 ( 0.055 0.000 -0.433) 0.436 2.833 ( -4.748 -0.000 -2.923) 5.576 2.908 ( 2.793 0.000 2.797) 3.953 2.927 ( -0.870 -0.000 -3.569) 3.674 3.040 ( -0.096 -0.000 -0.146) 0.175 3.075 ( 0.386 0.000 1.812) 1.853 3.215 ( -3.330 -0.000 2.148) 3.963 3.366 ( 0.599 0.000 -2.616) 2.684 3.421 ( 0.807 0.000 5.250) 5.311 3.512 ( 0.424 0.000 2.114) 2.156 3.644 ( -4.072 -0.000 0.504) 4.103 3.751 ( 1.669 0.000 -0.040) 1.669 3.814 ( 3.436 0.000 5.087) 6.139 4.035 ( -0.104 -0.000 1.174) 1.179 4.059 ( 0.707 0.000 -0.152) 0.723 4.421 ( 0.417 0.000 -1.234) 1.302 4.505 ( 0.611 0.000 -4.853) 4.891 4.536 ( -0.784 -0.000 -4.099) 4.173 5.415 ( -0.006 -0.000 -0.326) 0.326 6.341 ( 2.686 0.000 1.663) 3.160 7.882 ( -2.211 -0.000 -2.155) 3.088 8.115 ( 0.531 0.000 -3.091) 3.137 8.333 ( -4.798 -0.000 2.001) 5.198 8.366 ( 2.418 0.000 -0.098) 2.420 8.693 ( -0.325 -0.000 0.068) 0.332======================= Grid point 195 (99/100) =======================q-point: (-0.14 -0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 5.649 -2.285 7.138) 9.385 1.015 ( -13.912 -1.838 4.527) 14.745 1.130 ( -7.335 0.685 4.200) 8.480 1.458 ( -9.625 -1.523 5.839) 11.360 1.578 ( 4.581 0.923 -2.096) 5.122 1.712 ( 3.815 -0.259 -0.964) 3.943 1.733 ( 2.456 -0.571 -1.461) 2.914 1.850 ( 1.212 -1.817 -3.888) 4.460 2.029 ( -0.653 4.168 2.886) 5.112 2.049 ( 1.131 -0.059 -0.407) 1.203 2.140 ( 3.350 -1.432 1.314) 3.873 2.149 ( 0.158 -2.046 -1.734) 2.687 2.240 ( 0.432 -3.761 1.439) 4.050 2.471 ( -3.001 1.570 -1.754) 3.814 2.570 ( 5.051 2.205 0.579) 5.542 2.618 ( -3.995 3.044 -5.462) 7.420 2.742 ( 1.019 1.980 1.488) 2.678 2.752 ( -1.317 -0.712 -0.946) 1.771 2.809 ( 4.076 -1.383 -0.775) 4.373 2.865 ( 0.243 3.332 -2.584) 4.224 2.986 ( -0.813 -1.192 -1.692) 2.224 3.060 ( 4.107 3.521 2.853) 6.116 3.097 ( -0.957 2.222 0.267) 2.434 3.200 ( -0.905 -5.225 4.534) 6.976 3.345 ( -0.663 1.867 -4.207) 4.650 3.458 ( 0.253 -2.209 3.314) 3.991 3.562 ( -2.334 0.121 0.692) 2.437 3.574 ( -1.320 -4.869 1.584) 5.288 3.761 ( 1.551 6.673 -0.221) 6.854 3.881 ( 0.269 -1.296 1.653) 2.118 4.022 ( 1.285 1.886 3.139) 3.881 4.169 ( 3.298 -6.479 2.112) 7.570 4.404 ( -1.132 0.028 -2.283) 2.549 4.421 ( -2.491 -0.036 -2.358) 3.431 4.521 ( 0.200 0.975 -3.231) 3.380 5.408 ( -0.265 0.159 -0.601) 0.676 6.387 ( 1.387 0.886 2.460) 2.959 7.853 ( 0.648 -0.277 -1.835) 1.965 8.100 ( 0.828 -0.594 -3.655) 3.795 8.262 ( -4.876 1.563 2.472) 5.686 8.386 ( 0.289 -0.862 -2.241) 2.418 8.686 ( -0.458 -0.024 -0.026) 0.460======================= Grid point 202 (100/100) =======================q-point: (-0.14 -0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( -9.276 -0.000 12.162) 15.296 0.950 ( 1.421 0.000 13.140) 13.216 1.082 ( -1.084 -0.000 1.974) 2.252 1.359 ( -8.369 -0.000 12.603) 15.129 1.611 ( 1.297 0.000 -1.488) 1.974 1.661 ( -3.514 -0.000 -6.655) 7.526 1.757 ( 1.567 0.000 -5.583) 5.799 1.809 ( -0.164 -0.000 -5.670) 5.672 1.972 ( -6.727 -0.000 -5.049) 8.411 2.073 ( 0.360 0.000 2.760) 2.783 2.152 ( 4.598 0.000 -1.492) 4.834 2.194 ( -5.822 -0.000 -4.107) 7.125 2.329 ( 10.086 0.000 7.323) 12.464 2.378 ( -2.365 -0.000 -0.166) 2.370 2.585 ( 1.550 0.000 -0.486) 1.625 2.671 ( 4.898 0.000 -1.115) 5.024 2.742 ( 1.944 0.000 0.982) 2.178 2.774 ( -2.580 -0.000 -1.313) 2.895 2.814 ( 0.273 0.000 0.358) 0.450 2.936 ( 7.030 0.000 -2.970) 7.632 2.958 ( 1.002 0.000 -0.609) 1.173 3.104 ( -4.932 -0.000 3.076) 5.813 3.141 ( 1.489 0.000 -1.439) 2.071 3.192 ( 4.106 0.000 4.245) 5.906 3.253 ( -5.477 -0.000 -6.449) 8.461 3.461 ( 0.344 0.000 2.432) 2.456 3.557 ( 0.013 0.000 -0.336) 0.336 3.579 ( 1.562 0.000 2.997) 3.380 3.836 ( -1.007 -0.000 0.460) 1.107 3.853 ( -1.275 -0.000 -0.999) 1.620 4.036 ( -0.364 -0.000 -3.069) 3.091 4.160 ( -2.378 -0.000 -1.434) 2.777 4.375 ( -0.510 -0.000 2.559) 2.609 4.423 ( 3.412 0.000 1.977) 3.943 4.520 ( 0.894 0.000 1.230) 1.520 5.394 ( -0.765 -0.000 -0.847) 1.141 6.442 ( 1.744 0.000 3.522) 3.930 7.868 ( 3.229 0.000 -1.549) 3.581 8.076 ( 0.904 0.000 -4.509) 4.598 8.216 ( -4.592 -0.000 3.226) 5.612 8.324 ( -4.132 -0.000 -4.462) 6.081 8.678 ( -0.438 -0.000 -0.112) 0.452=================== 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 3/14406 10.0 41.906 53.154 61.152 -0.000 3.186 0.000 3/14406 20.0 8.478 8.710 11.924 -0.000 1.893 0.000 3/14406 30.0 3.850 3.586 5.203 -0.000 0.935 0.000 3/14406 40.0 2.426 2.159 3.186 -0.000 0.601 0.000 3/14406 50.0 1.787 1.552 2.298 -0.000 0.447 0.000 3/14406 60.0 1.430 1.225 1.810 -0.000 0.360 0.000 3/14406 70.0 1.201 1.019 1.503 -0.000 0.304 0.000 3/14406 80.0 1.041 0.878 1.291 -0.000 0.264 0.000 3/14406 90.0 0.922 0.773 1.135 -0.000 0.233 0.000 3/14406 100.0 0.829 0.693 1.015 -0.000 0.210 0.000 3/14406 110.0 0.754 0.629 0.919 -0.000 0.190 0.000 3/14406 120.0 0.692 0.576 0.841 -0.000 0.174 0.000 3/14406 130.0 0.641 0.532 0.776 -0.000 0.161 0.000 3/14406 140.0 0.597 0.495 0.721 -0.000 0.149 0.000 3/14406 150.0 0.558 0.463 0.673 -0.000 0.139 0.000 3/14406 160.0 0.525 0.435 0.632 -0.000 0.131 0.000 3/14406 170.0 0.495 0.410 0.596 -0.000 0.123 0.000 3/14406 180.0 0.469 0.388 0.563 -0.000 0.116 0.000 3/14406 190.0 0.446 0.368 0.535 -0.000 0.110 0.000 3/14406 200.0 0.425 0.350 0.509 -0.000 0.104 0.000 3/14406 210.0 0.405 0.334 0.485 -0.000 0.099 0.000 3/14406 220.0 0.388 0.320 0.464 -0.000 0.095 0.000 3/14406 230.0 0.372 0.306 0.445 -0.000 0.091 0.000 3/14406 240.0 0.357 0.294 0.427 -0.000 0.087 0.000 3/14406 250.0 0.344 0.283 0.410 -0.000 0.083 0.000 3/14406 260.0 0.331 0.272 0.395 -0.000 0.080 0.000 3/14406 270.0 0.319 0.263 0.381 -0.000 0.077 0.000 3/14406 280.0 0.309 0.254 0.368 -0.000 0.074 0.000 3/14406 290.0 0.298 0.245 0.356 -0.000 0.072 0.000 3/14406 300.0 0.289 0.237 0.344 -0.000 0.069 0.000 3/14406 310.0 0.280 0.230 0.334 -0.000 0.067 0.000 3/14406 320.0 0.272 0.223 0.324 -0.000 0.065 0.000 3/14406 330.0 0.264 0.217 0.314 -0.000 0.063 0.000 3/14406 340.0 0.256 0.211 0.305 -0.000 0.061 0.000 3/14406 350.0 0.250 0.205 0.297 -0.000 0.059 0.000 3/14406 360.0 0.243 0.199 0.289 -0.000 0.058 0.000 3/14406 370.0 0.237 0.194 0.282 -0.000 0.056 0.000 3/14406 380.0 0.231 0.189 0.274 -0.000 0.054 0.000 3/14406 390.0 0.225 0.185 0.268 -0.000 0.053 0.000 3/14406 400.0 0.220 0.180 0.261 -0.000 0.052 0.000 3/14406 410.0 0.215 0.176 0.255 -0.000 0.050 0.000 3/14406 420.0 0.210 0.172 0.249 -0.000 0.049 0.000 3/14406 430.0 0.205 0.168 0.244 -0.000 0.048 0.000 3/14406 440.0 0.201 0.164 0.238 -0.000 0.047 0.000 3/14406 450.0 0.196 0.161 0.233 -0.000 0.046 0.000 3/14406 460.0 0.192 0.157 0.228 -0.000 0.045 0.000 3/14406 470.0 0.188 0.154 0.224 -0.000 0.044 0.000 3/14406 480.0 0.185 0.151 0.219 -0.000 0.043 0.000 3/14406 490.0 0.181 0.148 0.215 -0.000 0.042 0.000 3/14406 500.0 0.177 0.145 0.211 -0.000 0.041 0.000 3/14406 510.0 0.174 0.142 0.207 -0.000 0.040 0.000 3/14406 520.0 0.171 0.140 0.203 -0.000 0.040 0.000 3/14406 530.0 0.168 0.137 0.199 -0.000 0.039 0.000 3/14406 540.0 0.165 0.135 0.196 -0.000 0.038 0.000 3/14406 550.0 0.162 0.132 0.192 -0.000 0.037 0.000 3/14406 560.0 0.159 0.130 0.189 -0.000 0.037 0.000 3/14406 570.0 0.157 0.128 0.186 -0.000 0.036 0.000 3/14406 580.0 0.154 0.126 0.183 -0.000 0.035 0.000 3/14406 590.0 0.151 0.124 0.180 -0.000 0.035 0.000 3/14406 600.0 0.149 0.122 0.177 -0.000 0.034 0.000 3/14406 610.0 0.147 0.120 0.174 -0.000 0.034 0.000 3/14406 620.0 0.144 0.118 0.171 -0.000 0.033 0.000 3/14406 630.0 0.142 0.116 0.169 -0.000 0.033 0.000 3/14406 640.0 0.140 0.114 0.166 -0.000 0.032 0.000 3/14406 650.0 0.138 0.113 0.164 -0.000 0.032 0.000 3/14406 660.0 0.136 0.111 0.161 -0.000 0.031 0.000 3/14406 670.0 0.134 0.109 0.159 -0.000 0.031 0.000 3/14406 680.0 0.132 0.108 0.157 -0.000 0.030 0.000 3/14406 690.0 0.130 0.106 0.154 -0.000 0.030 0.000 3/14406 700.0 0.128 0.105 0.152 -0.000 0.029 0.000 3/14406 710.0 0.127 0.103 0.150 -0.000 0.029 0.000 3/14406 720.0 0.125 0.102 0.148 -0.000 0.028 0.000 3/14406 730.0 0.123 0.101 0.146 -0.000 0.028 0.000 3/14406 740.0 0.122 0.099 0.144 -0.000 0.028 0.000 3/14406 750.0 0.120 0.098 0.142 -0.000 0.027 0.000 3/14406 760.0 0.119 0.097 0.141 -0.000 0.027 0.000 3/14406 770.0 0.117 0.096 0.139 -0.000 0.027 0.000 3/14406 780.0 0.116 0.094 0.137 -0.000 0.026 0.000 3/14406 790.0 0.114 0.093 0.135 -0.000 0.026 0.000 3/14406 800.0 0.113 0.092 0.134 -0.000 0.026 0.000 3/14406 810.0 0.112 0.091 0.132 -0.000 0.025 0.000 3/14406 820.0 0.110 0.090 0.131 -0.000 0.025 0.000 3/14406 830.0 0.109 0.089 0.129 -0.000 0.025 0.000 3/14406 840.0 0.108 0.088 0.128 -0.000 0.024 0.000 3/14406 850.0 0.107 0.087 0.126 -0.000 0.024 0.000 3/14406 860.0 0.105 0.086 0.125 -0.000 0.024 0.000 3/14406 870.0 0.104 0.085 0.123 -0.000 0.023 0.000 3/14406 880.0 0.103 0.084 0.122 -0.000 0.023 0.000 3/14406 890.0 0.102 0.083 0.121 -0.000 0.023 0.000 3/14406 900.0 0.101 0.082 0.119 -0.000 0.023 0.000 3/14406 910.0 0.100 0.081 0.118 -0.000 0.022 0.000 3/14406 920.0 0.099 0.080 0.117 -0.000 0.022 0.000 3/14406 930.0 0.098 0.080 0.116 -0.000 0.022 0.000 3/14406 940.0 0.097 0.079 0.114 -0.000 0.022 0.000 3/14406 950.0 0.096 0.078 0.113 -0.000 0.021 0.000 3/14406 960.0 0.095 0.077 0.112 -0.000 0.021 0.000 3/14406 970.0 0.094 0.076 0.111 -0.000 0.021 0.000 3/14406 980.0 0.093 0.076 0.110 -0.000 0.021 0.000 3/14406 990.0 0.092 0.075 0.109 -0.000 0.021 0.000 3/14406 1000.0 0.091 0.074 0.108 -0.000 0.020 0.000 3/14406Thermal conductivity related properties were written into "kappa-m777.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:39:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|