----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.277162315067151 -2.845532990000000 0.000000000000000 b 6.277162315067151 2.845532990000000 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): *1 K 0.11610384189321 0.11610384189321 0.47957203701396 39.098 2 K 0.88389615810679 0.88389615810679 0.52042796298604 39.098 *3 Nd 0.12960580691667 0.12960580691667 0.93016810497046 144.242 *4 Nd 0.58832365112555 0.58832365112555 0.20236577616194 144.242 5 Nd 0.41167634887445 0.41167634887445 0.79763422383806 144.242 6 Nd 0.87039419308333 0.87039419308333 0.06983189502954 144.242 *7 Nb 0.65858459553683 0.65858459553683 0.70313287384633 92.906 8 Nb 0.34141540446317 0.34141540446317 0.29686712615367 92.906 *9 O 0.00078872170184 0.52965261786616 0.83421124990564 15.999 *10 O 0.21801890370698 0.68747057757422 0.29013247622744 15.999 *11 O 0.25018108864774 0.74981891135226 0.00000000000000 15.999 12 O 0.78198109629302 0.31252942242578 0.70986752377256 15.999 13 O 0.68747057757422 0.21801890370698 0.29013247622744 15.999 14 O 0.74981891135226 0.25018108864774 0.00000000000000 15.999 15 O 0.31252942242578 0.78198109629302 0.70986752377256 15.999 16 O 0.99921127829816 0.47034738213384 0.16578875009436 15.999 *17 O 0.67280295481530 0.67280295481530 0.49724530301249 15.999 18 O 0.32719704518470 0.32719704518470 0.50275469698751 15.999 19 O 0.47034738213384 0.99921127829816 0.16578875009436 15.999 20 O 0.52965261786616 0.00078872170184 0.83421124990564 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.554324630134301 0.000000000000000 0.000000000000000 b 0.000000000000000 5.691065979999999 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): *1 K 0.11610384189321 0.00000000000000 0.47957203701396 39.098 > 1 2 K 0.38389615810679 0.50000000000000 0.52042796298604 39.098 > 2 3 K 0.61610384189321 0.50000000000000 0.47957203701396 39.098 > 1 4 K 0.88389615810679 0.00000000000000 0.52042796298604 39.098 > 2 *5 Nd 0.12960580691667 0.00000000000000 0.93016810497046 144.242 > 3 *6 Nd 0.08832365112555 0.50000000000000 0.20236577616194 144.242 > 4 7 Nd 0.41167634887445 0.00000000000000 0.79763422383806 144.242 > 5 8 Nd 0.37039419308333 0.50000000000000 0.06983189502954 144.242 > 6 9 Nd 0.62960580691667 0.50000000000000 0.93016810497046 144.242 > 3 10 Nd 0.58832365112555 0.00000000000000 0.20236577616194 144.242 > 4 11 Nd 0.91167634887445 0.50000000000000 0.79763422383806 144.242 > 5 12 Nd 0.87039419308333 0.00000000000000 0.06983189502954 144.242 > 6 *13 Nb 0.15858459553683 0.50000000000000 0.70313287384633 92.906 > 7 14 Nb 0.34141540446317 0.00000000000000 0.29686712615367 92.906 > 8 15 Nb 0.65858459553683 0.00000000000000 0.70313287384633 92.906 > 7 16 Nb 0.84141540446317 0.50000000000000 0.29686712615367 92.906 > 8 *17 O 0.26522066978400 0.26443194808216 0.83421124990564 15.999 > 9 *18 O 0.45274474064060 0.23472583693362 0.29013247622744 15.999 > 10 *19 O 0.00000000000000 0.74981891135226 0.00000000000000 15.999 > 11 20 O 0.04725525935940 0.26527416306638 0.70986752377256 15.999 > 12 21 O 0.45274474064060 0.76527416306638 0.29013247622744 15.999 > 13 22 O 0.00000000000000 0.25018108864774 0.00000000000000 15.999 > 14 23 O 0.04725525935940 0.73472583693362 0.70986752377256 15.999 > 15 24 O 0.23477933021600 0.23556805191784 0.16578875009436 15.999 > 16 *25 O 0.17280295481530 0.50000000000000 0.49724530301249 15.999 > 17 26 O 0.32719704518470 0.00000000000000 0.50275469698751 15.999 > 18 27 O 0.23477933021600 0.76443194808216 0.16578875009436 15.999 > 19 28 O 0.26522066978400 0.73556805191784 0.83421124990564 15.999 > 20 29 O 0.76522066978400 0.76443194808216 0.83421124990564 15.999 > 9 30 O 0.95274474064060 0.73472583693362 0.29013247622744 15.999 > 10 31 O 0.50000000000000 0.24981891135226 0.00000000000000 15.999 > 11 32 O 0.54725525935940 0.76527416306638 0.70986752377256 15.999 > 12 33 O 0.95274474064060 0.26527416306638 0.29013247622744 15.999 > 13 34 O 0.50000000000000 0.75018108864774 0.00000000000000 15.999 > 14 35 O 0.54725525935940 0.23472583693362 0.70986752377256 15.999 > 15 36 O 0.73477933021600 0.73556805191784 0.16578875009436 15.999 > 16 37 O 0.67280295481530 0.00000000000000 0.49724530301249 15.999 > 17 38 O 0.82719704518470 0.50000000000000 0.50275469698751 15.999 > 18 39 O 0.73477933021600 0.26443194808216 0.16578875009436 15.999 > 19 40 O 0.76522066978400 0.23556805191784 0.83421124990564 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.554324630134301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382131959999999 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): *1 K 0.11610384189321 0.00000000000000 0.47957203701396 39.098 > 1 2 K 0.11610384189321 0.50000000000000 0.47957203701396 39.098 > 1 3 K 0.38389615810679 0.25000000000000 0.52042796298604 39.098 > 2 4 K 0.38389615810679 0.75000000000000 0.52042796298604 39.098 > 2 5 K 0.61610384189321 0.25000000000000 0.47957203701396 39.098 > 1 6 K 0.61610384189321 0.75000000000000 0.47957203701396 39.098 > 1 7 K 0.88389615810679 0.00000000000000 0.52042796298604 39.098 > 2 8 K 0.88389615810679 0.50000000000000 0.52042796298604 39.098 > 2 *9 Nd 0.12960580691667 0.00000000000000 0.93016810497046 144.242 > 3 10 Nd 0.12960580691667 0.50000000000000 0.93016810497046 144.242 > 3 *11 Nd 0.08832365112555 0.25000000000000 0.20236577616194 144.242 > 4 12 Nd 0.08832365112555 0.75000000000000 0.20236577616194 144.242 > 4 13 Nd 0.41167634887445 0.00000000000000 0.79763422383806 144.242 > 5 14 Nd 0.41167634887445 0.50000000000000 0.79763422383806 144.242 > 5 15 Nd 0.37039419308333 0.25000000000000 0.06983189502954 144.242 > 6 16 Nd 0.37039419308333 0.75000000000000 0.06983189502954 144.242 > 6 17 Nd 0.62960580691667 0.25000000000000 0.93016810497046 144.242 > 3 18 Nd 0.62960580691667 0.75000000000000 0.93016810497046 144.242 > 3 19 Nd 0.58832365112555 0.00000000000000 0.20236577616194 144.242 > 4 20 Nd 0.58832365112555 0.50000000000000 0.20236577616194 144.242 > 4 21 Nd 0.91167634887445 0.25000000000000 0.79763422383806 144.242 > 5 22 Nd 0.91167634887445 0.75000000000000 0.79763422383806 144.242 > 5 23 Nd 0.87039419308333 0.00000000000000 0.06983189502954 144.242 > 6 24 Nd 0.87039419308333 0.50000000000000 0.06983189502954 144.242 > 6 *25 Nb 0.15858459553683 0.25000000000000 0.70313287384633 92.906 > 7 26 Nb 0.15858459553683 0.75000000000000 0.70313287384633 92.906 > 7 27 Nb 0.34141540446317 0.00000000000000 0.29686712615367 92.906 > 8 28 Nb 0.34141540446317 0.50000000000000 0.29686712615367 92.906 > 8 29 Nb 0.65858459553683 0.00000000000000 0.70313287384633 92.906 > 7 30 Nb 0.65858459553683 0.50000000000000 0.70313287384633 92.906 > 7 31 Nb 0.84141540446317 0.25000000000000 0.29686712615367 92.906 > 8 32 Nb 0.84141540446317 0.75000000000000 0.29686712615367 92.906 > 8 *33 O 0.26522066978400 0.13221597404108 0.83421124990564 15.999 > 9 34 O 0.26522066978400 0.63221597404108 0.83421124990564 15.999 > 9 *35 O 0.45274474064060 0.11736291846681 0.29013247622744 15.999 > 10 36 O 0.45274474064060 0.61736291846681 0.29013247622744 15.999 > 10 *37 O 0.00000000000000 0.37490945567613 0.00000000000000 15.999 > 11 38 O 0.00000000000000 0.87490945567613 0.00000000000000 15.999 > 11 39 O 0.04725525935940 0.13263708153319 0.70986752377256 15.999 > 12 40 O 0.04725525935940 0.63263708153319 0.70986752377256 15.999 > 12 41 O 0.45274474064060 0.38263708153319 0.29013247622744 15.999 > 13 42 O 0.45274474064060 0.88263708153319 0.29013247622744 15.999 > 13 43 O 0.00000000000000 0.12509054432387 0.00000000000000 15.999 > 14 44 O 0.00000000000000 0.62509054432387 0.00000000000000 15.999 > 14 45 O 0.04725525935940 0.36736291846681 0.70986752377256 15.999 > 15 46 O 0.04725525935940 0.86736291846681 0.70986752377256 15.999 > 15 47 O 0.23477933021600 0.11778402595892 0.16578875009436 15.999 > 16 48 O 0.23477933021600 0.61778402595892 0.16578875009436 15.999 > 16 *49 O 0.17280295481530 0.25000000000000 0.49724530301249 15.999 > 17 50 O 0.17280295481530 0.75000000000000 0.49724530301249 15.999 > 17 51 O 0.32719704518470 0.00000000000000 0.50275469698751 15.999 > 18 52 O 0.32719704518470 0.50000000000000 0.50275469698751 15.999 > 18 53 O 0.23477933021600 0.38221597404108 0.16578875009436 15.999 > 19 54 O 0.23477933021600 0.88221597404108 0.16578875009436 15.999 > 19 55 O 0.26522066978400 0.36778402595892 0.83421124990564 15.999 > 20 56 O 0.26522066978400 0.86778402595892 0.83421124990564 15.999 > 20 57 O 0.76522066978400 0.38221597404108 0.83421124990564 15.999 > 9 58 O 0.76522066978400 0.88221597404108 0.83421124990564 15.999 > 9 59 O 0.95274474064060 0.36736291846681 0.29013247622744 15.999 > 10 60 O 0.95274474064060 0.86736291846681 0.29013247622744 15.999 > 10 61 O 0.50000000000000 0.12490945567613 0.00000000000000 15.999 > 11 62 O 0.50000000000000 0.62490945567613 0.00000000000000 15.999 > 11 63 O 0.54725525935940 0.38263708153319 0.70986752377256 15.999 > 12 64 O 0.54725525935940 0.88263708153319 0.70986752377256 15.999 > 12 65 O 0.95274474064060 0.13263708153319 0.29013247622744 15.999 > 13 66 O 0.95274474064060 0.63263708153319 0.29013247622744 15.999 > 13 67 O 0.50000000000000 0.37509054432387 0.00000000000000 15.999 > 14 68 O 0.50000000000000 0.87509054432387 0.00000000000000 15.999 > 14 69 O 0.54725525935940 0.11736291846681 0.70986752377256 15.999 > 15 70 O 0.54725525935940 0.61736291846681 0.70986752377256 15.999 > 15 71 O 0.73477933021600 0.36778402595892 0.16578875009436 15.999 > 16 72 O 0.73477933021600 0.86778402595892 0.16578875009436 15.999 > 16 73 O 0.67280295481530 0.00000000000000 0.49724530301249 15.999 > 17 74 O 0.67280295481530 0.50000000000000 0.49724530301249 15.999 > 17 75 O 0.82719704518470 0.25000000000000 0.50275469698751 15.999 > 18 76 O 0.82719704518470 0.75000000000000 0.50275469698751 15.999 > 18 77 O 0.73477933021600 0.13221597404108 0.16578875009436 15.999 > 19 78 O 0.73477933021600 0.63221597404108 0.16578875009436 15.999 > 19 79 O 0.76522066978400 0.11778402595892 0.83421124990564 15.999 > 20 80 O 0.76522066978400 0.61778402595892 0.83421124990564 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2486740 0.0000000 0.0200993 0.0000000 4.3231449 0.0000000 0.0200942 0.0000000 4.1319035 -------------------------- Born effective charges -------------------------- 1 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 2 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 3 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 4 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 5 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 6 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 7 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 8 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 9 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 10 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 11 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 12 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 13 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 14 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 15 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 16 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 17 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 18 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 19 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 20 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1870), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 439), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.219 Solver_block: 200 / 640 - Time: 2.224 Solver_block: 300 / 640 - Time: 2.221 Solver_block: 400 / 640 - Time: 2.222 Solver_block: 500 / 640 - Time: 2.216 Solver_block: 600 / 640 - Time: 2.220 Solver_block: 640 / 640 - Time: 0.957 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.328 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1870), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 439), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:54:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.277162315067151 -2.845532990000000 0.000000000000000 b 6.277162315067151 2.845532990000000 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): 1 K 0.11610384189321 0.11610384189321 0.47957203701396 39.098 2 K 0.88389615810679 0.88389615810679 0.52042796298604 39.098 3 Nd 0.12960580691667 0.12960580691667 0.93016810497046 144.242 4 Nd 0.58832365112555 0.58832365112555 0.20236577616194 144.242 5 Nd 0.41167634887445 0.41167634887445 0.79763422383806 144.242 6 Nd 0.87039419308333 0.87039419308333 0.06983189502954 144.242 7 Nb 0.65858459553683 0.65858459553683 0.70313287384633 92.906 8 Nb 0.34141540446317 0.34141540446317 0.29686712615367 92.906 9 O 0.00078872170184 0.52965261786616 0.83421124990564 15.999 10 O 0.21801890370698 0.68747057757422 0.29013247622744 15.999 11 O 0.25018108864774 0.74981891135226 0.00000000000000 15.999 12 O 0.78198109629302 0.31252942242578 0.70986752377256 15.999 13 O 0.68747057757422 0.21801890370698 0.29013247622744 15.999 14 O 0.74981891135226 0.25018108864774 0.00000000000000 15.999 15 O 0.31252942242578 0.78198109629302 0.70986752377256 15.999 16 O 0.99921127829816 0.47034738213384 0.16578875009436 15.999 17 O 0.67280295481530 0.67280295481530 0.49724530301249 15.999 18 O 0.32719704518470 0.32719704518470 0.50275469698751 15.999 19 O 0.47034738213384 0.99921127829816 0.16578875009436 15.999 20 O 0.52965261786616 0.00078872170184 0.83421124990564 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.554324630134301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382131959999999 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): 1 K 0.11610384189321 0.00000000000000 0.47957203701396 39.098 > 1 2 K 0.11610384189321 0.50000000000000 0.47957203701396 39.098 > 1 3 K 0.38389615810679 0.25000000000000 0.52042796298604 39.098 > 3 4 K 0.38389615810679 0.75000000000000 0.52042796298604 39.098 > 3 5 K 0.61610384189321 0.25000000000000 0.47957203701396 39.098 > 1 6 K 0.61610384189321 0.75000000000000 0.47957203701396 39.098 > 1 7 K 0.88389615810679 0.00000000000000 0.52042796298604 39.098 > 3 8 K 0.88389615810679 0.50000000000000 0.52042796298604 39.098 > 3 9 Nd 0.12960580691667 0.00000000000000 0.93016810497046 144.242 > 9 10 Nd 0.12960580691667 0.50000000000000 0.93016810497046 144.242 > 9 11 Nd 0.08832365112555 0.25000000000000 0.20236577616194 144.242 > 11 12 Nd 0.08832365112555 0.75000000000000 0.20236577616194 144.242 > 11 13 Nd 0.41167634887445 0.00000000000000 0.79763422383806 144.242 > 13 14 Nd 0.41167634887445 0.50000000000000 0.79763422383806 144.242 > 13 15 Nd 0.37039419308333 0.25000000000000 0.06983189502954 144.242 > 15 16 Nd 0.37039419308333 0.75000000000000 0.06983189502954 144.242 > 15 17 Nd 0.62960580691667 0.25000000000000 0.93016810497046 144.242 > 9 18 Nd 0.62960580691667 0.75000000000000 0.93016810497046 144.242 > 9 19 Nd 0.58832365112555 0.00000000000000 0.20236577616194 144.242 > 11 20 Nd 0.58832365112555 0.50000000000000 0.20236577616194 144.242 > 11 21 Nd 0.91167634887445 0.25000000000000 0.79763422383806 144.242 > 13 22 Nd 0.91167634887445 0.75000000000000 0.79763422383806 144.242 > 13 23 Nd 0.87039419308333 0.00000000000000 0.06983189502954 144.242 > 15 24 Nd 0.87039419308333 0.50000000000000 0.06983189502954 144.242 > 15 25 Nb 0.15858459553683 0.25000000000000 0.70313287384633 92.906 > 25 26 Nb 0.15858459553683 0.75000000000000 0.70313287384633 92.906 > 25 27 Nb 0.34141540446317 0.00000000000000 0.29686712615367 92.906 > 27 28 Nb 0.34141540446317 0.50000000000000 0.29686712615367 92.906 > 27 29 Nb 0.65858459553683 0.00000000000000 0.70313287384633 92.906 > 25 30 Nb 0.65858459553683 0.50000000000000 0.70313287384633 92.906 > 25 31 Nb 0.84141540446317 0.25000000000000 0.29686712615367 92.906 > 27 32 Nb 0.84141540446317 0.75000000000000 0.29686712615367 92.906 > 27 33 O 0.26522066978400 0.13221597404108 0.83421124990564 15.999 > 33 34 O 0.26522066978400 0.63221597404108 0.83421124990564 15.999 > 33 35 O 0.45274474064060 0.11736291846681 0.29013247622744 15.999 > 35 36 O 0.45274474064060 0.61736291846681 0.29013247622744 15.999 > 35 37 O 0.00000000000000 0.37490945567613 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.87490945567613 0.00000000000000 15.999 > 37 39 O 0.04725525935940 0.13263708153319 0.70986752377256 15.999 > 39 40 O 0.04725525935940 0.63263708153319 0.70986752377256 15.999 > 39 41 O 0.45274474064060 0.38263708153319 0.29013247622744 15.999 > 41 42 O 0.45274474064060 0.88263708153319 0.29013247622744 15.999 > 41 43 O 0.00000000000000 0.12509054432387 0.00000000000000 15.999 > 43 44 O 0.00000000000000 0.62509054432387 0.00000000000000 15.999 > 43 45 O 0.04725525935940 0.36736291846681 0.70986752377256 15.999 > 45 46 O 0.04725525935940 0.86736291846681 0.70986752377256 15.999 > 45 47 O 0.23477933021600 0.11778402595892 0.16578875009436 15.999 > 47 48 O 0.23477933021600 0.61778402595892 0.16578875009436 15.999 > 47 49 O 0.17280295481530 0.25000000000000 0.49724530301249 15.999 > 49 50 O 0.17280295481530 0.75000000000000 0.49724530301249 15.999 > 49 51 O 0.32719704518470 0.00000000000000 0.50275469698751 15.999 > 51 52 O 0.32719704518470 0.50000000000000 0.50275469698751 15.999 > 51 53 O 0.23477933021600 0.38221597404108 0.16578875009436 15.999 > 53 54 O 0.23477933021600 0.88221597404108 0.16578875009436 15.999 > 53 55 O 0.26522066978400 0.36778402595892 0.83421124990564 15.999 > 55 56 O 0.26522066978400 0.86778402595892 0.83421124990564 15.999 > 55 57 O 0.76522066978400 0.38221597404108 0.83421124990564 15.999 > 33 58 O 0.76522066978400 0.88221597404108 0.83421124990564 15.999 > 33 59 O 0.95274474064060 0.36736291846681 0.29013247622744 15.999 > 35 60 O 0.95274474064060 0.86736291846681 0.29013247622744 15.999 > 35 61 O 0.50000000000000 0.12490945567613 0.00000000000000 15.999 > 37 62 O 0.50000000000000 0.62490945567613 0.00000000000000 15.999 > 37 63 O 0.54725525935940 0.38263708153319 0.70986752377256 15.999 > 39 64 O 0.54725525935940 0.88263708153319 0.70986752377256 15.999 > 39 65 O 0.95274474064060 0.13263708153319 0.29013247622744 15.999 > 41 66 O 0.95274474064060 0.63263708153319 0.29013247622744 15.999 > 41 67 O 0.50000000000000 0.37509054432387 0.00000000000000 15.999 > 43 68 O 0.50000000000000 0.87509054432387 0.00000000000000 15.999 > 43 69 O 0.54725525935940 0.11736291846681 0.70986752377256 15.999 > 45 70 O 0.54725525935940 0.61736291846681 0.70986752377256 15.999 > 45 71 O 0.73477933021600 0.36778402595892 0.16578875009436 15.999 > 47 72 O 0.73477933021600 0.86778402595892 0.16578875009436 15.999 > 47 73 O 0.67280295481530 0.00000000000000 0.49724530301249 15.999 > 49 74 O 0.67280295481530 0.50000000000000 0.49724530301249 15.999 > 49 75 O 0.82719704518470 0.25000000000000 0.50275469698751 15.999 > 51 76 O 0.82719704518470 0.75000000000000 0.50275469698751 15.999 > 51 77 O 0.73477933021600 0.13221597404108 0.16578875009436 15.999 > 53 78 O 0.73477933021600 0.63221597404108 0.16578875009436 15.999 > 53 79 O 0.76522066978400 0.11778402595892 0.83421124990564 15.999 > 55 80 O 0.76522066978400 0.61778402595892 0.83421124990564 15.999 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2486740 0.0000000 0.0200993 0.0000000 4.3231449 0.0000000 0.0200942 0.0000000 4.1319035 -------------------------- Born effective charges -------------------------- 1 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 2 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 3 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 4 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 5 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 6 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 7 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 8 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 9 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 10 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 11 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 12 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 13 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 14 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 15 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 16 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 17 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 18 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 19 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 20 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 11, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 35, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yzy) 0.00000007 (yzy) 0.00000007 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:55:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:55:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.277162315067151 -2.845532990000000 0.000000000000000 b 6.277162315067151 2.845532990000000 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): 1 K 0.11610384189321 0.11610384189321 0.47957203701396 39.098 2 K 0.88389615810679 0.88389615810679 0.52042796298604 39.098 3 Nd 0.12960580691667 0.12960580691667 0.93016810497046 144.242 4 Nd 0.58832365112555 0.58832365112555 0.20236577616194 144.242 5 Nd 0.41167634887445 0.41167634887445 0.79763422383806 144.242 6 Nd 0.87039419308333 0.87039419308333 0.06983189502954 144.242 7 Nb 0.65858459553683 0.65858459553683 0.70313287384633 92.906 8 Nb 0.34141540446317 0.34141540446317 0.29686712615367 92.906 9 O 0.00078872170184 0.52965261786616 0.83421124990564 15.999 10 O 0.21801890370698 0.68747057757422 0.29013247622744 15.999 11 O 0.25018108864774 0.74981891135226 0.00000000000000 15.999 12 O 0.78198109629302 0.31252942242578 0.70986752377256 15.999 13 O 0.68747057757422 0.21801890370698 0.29013247622744 15.999 14 O 0.74981891135226 0.25018108864774 0.00000000000000 15.999 15 O 0.31252942242578 0.78198109629302 0.70986752377256 15.999 16 O 0.99921127829816 0.47034738213384 0.16578875009436 15.999 17 O 0.67280295481530 0.67280295481530 0.49724530301249 15.999 18 O 0.32719704518470 0.32719704518470 0.50275469698751 15.999 19 O 0.47034738213384 0.99921127829816 0.16578875009436 15.999 20 O 0.52965261786616 0.00078872170184 0.83421124990564 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.554324630134301 0.000000000000000 0.000000000000000 b 0.000000000000000 11.382131959999999 0.000000000000000 c -2.398706873506284 0.000000000000000 8.406991355303116 Atomic positions (fractional): 1 K 0.11610384189321 0.00000000000000 0.47957203701396 39.098 > 1 2 K 0.11610384189321 0.50000000000000 0.47957203701396 39.098 > 1 3 K 0.38389615810679 0.25000000000000 0.52042796298604 39.098 > 3 4 K 0.38389615810679 0.75000000000000 0.52042796298604 39.098 > 3 5 K 0.61610384189321 0.25000000000000 0.47957203701396 39.098 > 1 6 K 0.61610384189321 0.75000000000000 0.47957203701396 39.098 > 1 7 K 0.88389615810679 0.00000000000000 0.52042796298604 39.098 > 3 8 K 0.88389615810679 0.50000000000000 0.52042796298604 39.098 > 3 9 Nd 0.12960580691667 0.00000000000000 0.93016810497046 144.242 > 9 10 Nd 0.12960580691667 0.50000000000000 0.93016810497046 144.242 > 9 11 Nd 0.08832365112555 0.25000000000000 0.20236577616194 144.242 > 11 12 Nd 0.08832365112555 0.75000000000000 0.20236577616194 144.242 > 11 13 Nd 0.41167634887445 0.00000000000000 0.79763422383806 144.242 > 13 14 Nd 0.41167634887445 0.50000000000000 0.79763422383806 144.242 > 13 15 Nd 0.37039419308333 0.25000000000000 0.06983189502954 144.242 > 15 16 Nd 0.37039419308333 0.75000000000000 0.06983189502954 144.242 > 15 17 Nd 0.62960580691667 0.25000000000000 0.93016810497046 144.242 > 9 18 Nd 0.62960580691667 0.75000000000000 0.93016810497046 144.242 > 9 19 Nd 0.58832365112555 0.00000000000000 0.20236577616194 144.242 > 11 20 Nd 0.58832365112555 0.50000000000000 0.20236577616194 144.242 > 11 21 Nd 0.91167634887445 0.25000000000000 0.79763422383806 144.242 > 13 22 Nd 0.91167634887445 0.75000000000000 0.79763422383806 144.242 > 13 23 Nd 0.87039419308333 0.00000000000000 0.06983189502954 144.242 > 15 24 Nd 0.87039419308333 0.50000000000000 0.06983189502954 144.242 > 15 25 Nb 0.15858459553683 0.25000000000000 0.70313287384633 92.906 > 25 26 Nb 0.15858459553683 0.75000000000000 0.70313287384633 92.906 > 25 27 Nb 0.34141540446317 0.00000000000000 0.29686712615367 92.906 > 27 28 Nb 0.34141540446317 0.50000000000000 0.29686712615367 92.906 > 27 29 Nb 0.65858459553683 0.00000000000000 0.70313287384633 92.906 > 25 30 Nb 0.65858459553683 0.50000000000000 0.70313287384633 92.906 > 25 31 Nb 0.84141540446317 0.25000000000000 0.29686712615367 92.906 > 27 32 Nb 0.84141540446317 0.75000000000000 0.29686712615367 92.906 > 27 33 O 0.26522066978400 0.13221597404108 0.83421124990564 15.999 > 33 34 O 0.26522066978400 0.63221597404108 0.83421124990564 15.999 > 33 35 O 0.45274474064060 0.11736291846681 0.29013247622744 15.999 > 35 36 O 0.45274474064060 0.61736291846681 0.29013247622744 15.999 > 35 37 O 0.00000000000000 0.37490945567613 0.00000000000000 15.999 > 37 38 O 0.00000000000000 0.87490945567613 0.00000000000000 15.999 > 37 39 O 0.04725525935940 0.13263708153319 0.70986752377256 15.999 > 39 40 O 0.04725525935940 0.63263708153319 0.70986752377256 15.999 > 39 41 O 0.45274474064060 0.38263708153319 0.29013247622744 15.999 > 41 42 O 0.45274474064060 0.88263708153319 0.29013247622744 15.999 > 41 43 O 0.00000000000000 0.12509054432387 0.00000000000000 15.999 > 43 44 O 0.00000000000000 0.62509054432387 0.00000000000000 15.999 > 43 45 O 0.04725525935940 0.36736291846681 0.70986752377256 15.999 > 45 46 O 0.04725525935940 0.86736291846681 0.70986752377256 15.999 > 45 47 O 0.23477933021600 0.11778402595892 0.16578875009436 15.999 > 47 48 O 0.23477933021600 0.61778402595892 0.16578875009436 15.999 > 47 49 O 0.17280295481530 0.25000000000000 0.49724530301249 15.999 > 49 50 O 0.17280295481530 0.75000000000000 0.49724530301249 15.999 > 49 51 O 0.32719704518470 0.00000000000000 0.50275469698751 15.999 > 51 52 O 0.32719704518470 0.50000000000000 0.50275469698751 15.999 > 51 53 O 0.23477933021600 0.38221597404108 0.16578875009436 15.999 > 53 54 O 0.23477933021600 0.88221597404108 0.16578875009436 15.999 > 53 55 O 0.26522066978400 0.36778402595892 0.83421124990564 15.999 > 55 56 O 0.26522066978400 0.86778402595892 0.83421124990564 15.999 > 55 57 O 0.76522066978400 0.38221597404108 0.83421124990564 15.999 > 33 58 O 0.76522066978400 0.88221597404108 0.83421124990564 15.999 > 33 59 O 0.95274474064060 0.36736291846681 0.29013247622744 15.999 > 35 60 O 0.95274474064060 0.86736291846681 0.29013247622744 15.999 > 35 61 O 0.50000000000000 0.12490945567613 0.00000000000000 15.999 > 37 62 O 0.50000000000000 0.62490945567613 0.00000000000000 15.999 > 37 63 O 0.54725525935940 0.38263708153319 0.70986752377256 15.999 > 39 64 O 0.54725525935940 0.88263708153319 0.70986752377256 15.999 > 39 65 O 0.95274474064060 0.13263708153319 0.29013247622744 15.999 > 41 66 O 0.95274474064060 0.63263708153319 0.29013247622744 15.999 > 41 67 O 0.50000000000000 0.37509054432387 0.00000000000000 15.999 > 43 68 O 0.50000000000000 0.87509054432387 0.00000000000000 15.999 > 43 69 O 0.54725525935940 0.11736291846681 0.70986752377256 15.999 > 45 70 O 0.54725525935940 0.61736291846681 0.70986752377256 15.999 > 45 71 O 0.73477933021600 0.36778402595892 0.16578875009436 15.999 > 47 72 O 0.73477933021600 0.86778402595892 0.16578875009436 15.999 > 47 73 O 0.67280295481530 0.00000000000000 0.49724530301249 15.999 > 49 74 O 0.67280295481530 0.50000000000000 0.49724530301249 15.999 > 49 75 O 0.82719704518470 0.25000000000000 0.50275469698751 15.999 > 51 76 O 0.82719704518470 0.75000000000000 0.50275469698751 15.999 > 51 77 O 0.73477933021600 0.13221597404108 0.16578875009436 15.999 > 53 78 O 0.73477933021600 0.63221597404108 0.16578875009436 15.999 > 53 79 O 0.76522066978400 0.11778402595892 0.83421124990564 15.999 > 55 80 O 0.76522066978400 0.61778402595892 0.83421124990564 15.999 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2486740 0.0000000 0.0200993 0.0000000 4.3231449 0.0000000 0.0200942 0.0000000 4.1319035 -------------------------- Born effective charges -------------------------- 1 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 2 K 1.2454512 0.0000000 0.1434953 0.0000000 1.3591098 0.0000000 -0.0130641 0.0000000 1.2601934 3 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 4 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 5 Nd 4.6393768 0.0000000 -0.4025842 0.0000000 3.5514236 0.0000000 0.4009119 0.0000000 4.1581381 6 Nd 3.6788500 0.0000000 -0.3469316 0.0000000 4.5244307 0.0000000 -0.2128747 0.0000000 3.6982703 7 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 8 Nb 4.7659461 0.0000000 0.8279709 0.0000000 5.1262048 0.0000000 0.1845183 0.0000000 3.9328816 9 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 10 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 11 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 12 O -2.6656853 -0.5087633 0.2322500 -0.5393076 -2.5948458 0.4135540 0.0100744 0.2951528 -1.4633629 13 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 14 O -2.5799159 0.0000000 0.1900924 0.0000000 -2.8240199 0.0000000 -0.1043432 0.0000000 -2.3233308 15 O -2.6656853 0.5087633 0.2322500 0.5393076 -2.5948458 -0.4135540 0.0100744 -0.2951528 -1.4633629 16 O -2.5485883 0.6973677 -0.6725008 0.6174703 -2.8157395 0.5627853 -0.5255460 0.4063762 -1.9560262 17 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 18 O -1.3211608 0.0000000 0.4684587 0.0000000 -0.9159786 0.0000000 0.7757947 0.0000000 -3.8873745 19 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 20 O -2.5485883 -0.6973677 -0.6725008 -0.6174703 -2.8157395 -0.5627853 -0.5255460 -0.4063762 -1.9560262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yzy) 0.00000007 (yzy) 0.00000007 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 12.405 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 15.006 ( 0.000 0.000 0.000) 0.000 15.242 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 16.996 ( 0.000 0.000 0.000) 0.000 17.366 ( 0.000 0.000 0.000) 0.000 17.561 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 23.301 ( 0.000 0.000 0.000) 0.000 23.530 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 11.641 -25.475 6.314) 28.711 0.604 ( 29.700 -19.614 8.377) 36.565 1.155 ( 13.550 -57.204 4.056) 58.927 2.899 ( -0.971 -1.618 -1.783) 2.596 2.946 ( 3.904 -3.245 0.133) 5.078 3.264 ( -2.807 1.538 -1.768) 3.657 3.356 ( -3.788 0.287 3.336) 5.056 3.395 ( 4.753 -0.952 -8.058) 9.403 3.521 ( -1.682 1.730 -0.180) 2.419 3.839 ( -3.152 -2.928 -1.073) 4.434 3.846 ( -1.387 -1.848 7.549) 7.895 4.012 ( -4.238 7.566 0.579) 8.691 4.081 ( -0.180 4.091 -2.213) 4.655 4.118 ( 4.996 7.201 1.200) 8.846 4.497 ( -2.599 -2.216 0.483) 3.450 4.756 ( -2.048 -5.760 -1.334) 6.257 4.832 ( -7.390 -1.316 -1.153) 7.594 5.023 ( -0.345 -0.997 -0.049) 1.056 5.120 ( -1.014 1.014 -0.617) 1.561 5.382 ( 1.210 -6.433 -11.630) 13.346 5.431 ( 0.147 1.152 8.162) 8.244 5.637 ( 1.384 2.383 6.681) 7.227 5.839 ( 8.132 8.478 -2.334) 11.977 6.216 ( -5.052 -13.763 -2.271) 14.836 6.393 ( -5.909 -6.792 6.613) 11.170 6.530 ( 8.104 1.868 -5.226) 9.822 6.717 ( 5.684 -9.834 -0.257) 11.362 6.792 ( -4.020 3.630 -0.043) 5.417 7.348 ( 5.237 -4.124 1.950) 6.945 7.479 ( -3.389 -4.778 0.111) 5.859 7.549 ( 5.413 -5.845 -5.070) 9.443 8.458 ( -5.776 0.397 0.549) 5.815 9.066 ( 5.017 14.568 -1.145) 15.450 9.479 ( 7.764 -2.823 0.887) 8.309 9.865 ( -0.375 -6.524 -6.739) 9.387 9.909 ( 1.856 4.545 4.484) 6.648 10.404 ( -3.312 -4.776 0.212) 5.815 10.535 ( 3.037 3.402 -3.741) 5.899 10.618 ( -1.859 -7.405 0.977) 7.697 11.052 ( -5.216 -2.818 -1.852) 6.211 11.116 ( -2.769 -7.038 0.168) 7.565 11.187 ( -1.189 -19.349 -6.599) 20.478 12.442 ( -0.221 -4.269 0.053) 4.275 12.469 ( -5.122 7.544 3.752) 9.861 12.718 ( 4.872 1.859 -16.747) 17.540 13.193 ( -7.903 -7.109 7.602) 13.068 13.865 ( -0.628 3.422 -1.140) 3.661 14.525 ( -0.658 9.702 3.164) 10.226 14.772 ( -8.317 -8.876 -3.267) 12.594 15.138 ( 21.633 17.772 15.240) 31.877 15.351 ( -1.387 -11.256 0.659) 11.361 15.853 ( 2.171 3.315 -0.110) 3.964 17.039 ( 0.321 -4.165 0.638) 4.226 17.314 ( 3.089 4.830 -5.056) 7.644 17.536 ( -5.092 -7.814 -1.352) 9.424 20.088 ( -32.209 -3.915 42.052) 53.114 20.865 ( -4.096 4.330 -1.084) 6.058 21.263 ( 27.603 7.588 -37.059) 46.828 23.301 ( 0.795 0.377 -0.085) 0.884 23.517 ( -1.412 1.400 4.305) 4.742 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 10.472 -25.397 6.649) 28.264 1.196 ( 28.001 -19.414 7.421) 34.871 2.201 ( 9.438 -48.502 2.393) 49.470 2.910 ( -0.507 -1.379 -0.846) 1.695 3.058 ( 5.930 -3.870 1.718) 7.287 3.222 ( -3.462 1.640 1.043) 3.970 3.317 ( -1.155 0.830 0.228) 1.440 3.429 ( 0.511 -1.914 -3.156) 3.726 3.520 ( 0.873 -3.154 -5.195) 6.140 3.776 ( -6.487 7.417 -0.267) 9.857 3.795 ( -4.827 9.536 -2.045) 10.882 3.839 ( 0.335 3.048 3.805) 4.887 3.972 ( -0.310 7.038 -3.200) 7.738 4.069 ( 3.606 3.611 2.856) 5.848 4.589 ( -4.818 -9.430 -0.225) 10.592 4.761 ( -4.744 -1.331 -5.518) 7.397 4.858 ( 1.216 -3.972 -0.065) 4.155 5.043 ( 4.702 6.089 4.220) 8.774 5.078 ( -4.250 -2.680 1.847) 5.353 5.391 ( 4.843 1.274 -8.265) 9.664 5.517 ( -2.518 -5.982 0.796) 6.539 5.655 ( 4.252 0.344 4.190) 5.979 5.765 ( 4.722 4.636 1.630) 6.815 6.383 ( -3.361 -8.801 -0.767) 9.453 6.505 ( -6.859 -8.989 4.925) 12.333 6.572 ( 2.764 -0.528 -4.526) 5.329 6.684 ( -1.472 1.817 -4.997) 5.517 6.994 ( 7.368 -14.020 2.079) 15.974 7.452 ( 2.376 0.633 -1.738) 3.011 7.559 ( 2.491 -9.976 4.811) 11.353 7.771 ( 1.443 -14.586 -2.351) 14.845 8.401 ( -8.616 -0.902 0.076) 8.663 8.857 ( 1.188 11.021 -0.596) 11.100 9.571 ( 7.699 -0.748 0.123) 7.737 9.834 ( -0.253 3.554 2.966) 4.635 10.018 ( -0.283 -10.561 -2.215) 10.794 10.359 ( -4.798 3.123 -2.975) 6.452 10.597 ( 3.499 -3.809 2.688) 5.829 10.808 ( -1.116 -13.291 1.059) 13.380 11.069 ( -7.533 -7.749 -4.577) 11.736 11.257 ( -3.454 -11.294 1.417) 11.895 11.543 ( -1.628 -21.638 -2.239) 21.815 12.263 ( -3.946 11.778 4.198) 13.112 12.552 ( 0.718 -7.582 -0.174) 7.618 12.672 ( 8.827 6.128 -5.224) 11.948 13.286 ( -5.868 -8.227 1.273) 10.185 13.777 ( -1.927 4.590 -2.626) 5.628 14.332 ( -0.042 11.638 0.465) 11.647 14.780 ( -1.664 7.149 2.594) 7.785 15.053 ( 3.626 3.996 2.931) 6.141 15.572 ( -4.273 -15.129 0.625) 15.733 15.821 ( 1.489 -0.147 -1.881) 2.404 17.074 ( 9.146 4.257 -0.791) 10.119 17.245 ( 11.544 9.901 -0.934) 15.237 17.711 ( -0.897 -15.991 -1.198) 16.061 19.946 ( -25.016 2.020 17.729) 30.727 20.725 ( -5.392 6.641 0.565) 8.573 21.250 ( 15.824 7.039 -16.072) 23.628 23.299 ( 1.211 0.723 -0.247) 1.432 23.483 ( -1.208 2.061 2.521) 3.473 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 9.080 -24.485 6.805) 26.987 1.759 ( 25.023 -18.676 5.985) 31.793 2.823 ( -0.235 -11.579 -5.808) 12.957 3.020 ( -1.271 -9.559 9.333) 13.420 3.104 ( -1.154 1.970 -1.183) 2.572 3.160 ( -0.258 1.315 4.796) 4.980 3.367 ( 5.046 -2.208 -6.641) 8.628 3.472 ( -5.440 -2.363 6.314) 8.663 3.559 ( -1.969 2.141 -2.717) 3.981 3.573 ( -2.001 2.761 -2.823) 4.427 3.621 ( 1.310 3.379 -3.858) 5.294 3.806 ( 0.844 3.430 4.285) 5.553 3.895 ( 3.433 -2.586 -4.734) 6.394 4.033 ( 0.076 0.953 -1.907) 2.134 4.590 ( -5.341 0.463 -7.732) 9.409 4.851 ( -4.151 -3.684 6.810) 8.785 4.882 ( -1.774 4.918 1.056) 5.333 4.964 ( 4.313 -2.921 2.374) 5.724 5.166 ( 4.070 -4.976 0.882) 6.488 5.401 ( 5.060 1.850 -6.629) 8.542 5.542 ( -2.842 0.238 -3.173) 4.266 5.643 ( 2.101 0.859 -3.954) 4.560 5.828 ( 3.067 -4.475 8.426) 10.021 6.395 ( -9.065 8.704 3.104) 12.945 6.494 ( -0.325 -5.442 0.884) 5.523 6.675 ( -2.908 -7.224 4.743) 9.118 6.746 ( 6.810 -5.355 -14.336) 16.750 7.293 ( 9.748 -10.061 2.448) 14.221 7.419 ( -0.257 1.530 -0.809) 1.750 7.813 ( 1.584 -12.904 6.343) 14.466 8.021 ( -0.296 -12.657 -2.158) 12.843 8.370 ( -8.468 -4.180 -0.387) 9.451 8.706 ( -2.590 5.166 -1.745) 6.037 9.626 ( 4.451 0.426 -0.050) 4.472 9.826 ( 6.364 0.222 3.556) 7.293 10.202 ( -0.686 -9.911 -2.320) 10.202 10.256 ( -4.533 3.022 0.679) 5.490 10.669 ( -0.627 -1.540 1.857) 2.492 10.948 ( -1.980 -5.551 -0.330) 5.902 11.274 ( -5.909 -19.859 -1.264) 20.758 11.448 ( -4.582 -12.740 1.345) 13.606 11.825 ( -4.255 -10.372 -10.658) 15.469 12.072 ( 2.590 7.223 9.606) 12.295 12.622 ( 11.115 4.103 0.536) 11.860 12.738 ( 0.374 -10.346 -1.264) 10.430 13.384 ( -4.982 -7.189 1.236) 8.833 13.680 ( -4.707 1.749 -4.401) 6.677 14.131 ( 0.001 10.981 -1.059) 11.032 14.541 ( -4.196 15.580 4.669) 16.797 14.968 ( 3.153 11.737 0.343) 12.158 15.782 ( -9.826 -15.329 1.903) 18.308 15.929 ( -1.190 -11.394 -4.619) 12.352 17.093 ( 15.941 7.117 0.863) 17.479 17.125 ( 20.202 14.050 -1.277) 24.640 18.044 ( -1.870 -21.633 -0.487) 21.720 19.701 ( -23.715 6.848 7.834) 25.897 20.570 ( -4.383 6.342 2.134) 7.999 21.194 ( 9.777 7.470 -8.952) 15.216 23.293 ( 1.091 0.908 -0.444) 1.487 23.443 ( -0.967 1.877 1.790) 2.769 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 7.654 -22.146 6.358) 24.279 2.269 ( 20.882 -16.881 4.336) 27.200 2.852 ( -3.759 7.433 1.840) 8.530 2.937 ( -4.992 1.485 -3.869) 6.487 3.041 ( -5.421 7.369 -1.428) 9.259 3.173 ( -0.037 3.040 4.478) 5.413 3.347 ( 0.730 3.709 -1.197) 3.965 3.353 ( -5.504 -0.035 -2.149) 5.909 3.464 ( -1.029 2.998 -0.458) 3.202 3.625 ( 1.891 1.176 -5.003) 5.477 3.674 ( 1.211 -2.429 3.211) 4.204 3.754 ( -0.241 1.270 1.594) 2.053 4.045 ( 1.513 -3.481 -5.944) 7.053 4.224 ( 5.831 -21.852 3.660) 22.911 4.551 ( -0.105 -1.671 -10.004) 10.143 4.720 ( -6.825 5.869 5.345) 10.468 4.832 ( 1.691 4.940 8.842) 10.269 5.082 ( 2.109 3.074 -0.733) 3.799 5.263 ( 5.331 -1.854 -0.162) 5.646 5.370 ( -2.285 -4.093 -6.782) 8.244 5.549 ( 0.872 -1.139 -4.974) 5.176 5.653 ( 2.105 -0.976 0.075) 2.322 5.944 ( 2.618 -3.545 5.668) 7.180 6.169 ( -10.159 7.888 2.293) 13.064 6.570 ( 0.244 -2.640 0.597) 2.718 6.718 ( 4.664 2.349 -1.543) 5.445 6.889 ( -1.297 -9.346 -4.265) 10.355 7.319 ( 0.431 4.456 -1.520) 4.728 7.594 ( 12.580 -8.136 4.145) 15.545 7.979 ( -6.067 -4.910 2.929) 8.337 8.151 ( -1.832 -4.169 -2.174) 5.046 8.453 ( -1.337 -8.495 2.923) 9.083 8.624 ( -5.094 0.115 -4.457) 6.769 9.635 ( 0.371 0.159 0.609) 0.731 9.926 ( 13.816 -0.514 2.120) 13.987 10.145 ( -9.445 1.284 -1.427) 9.638 10.366 ( 1.036 -6.158 2.585) 6.759 10.646 ( -3.009 1.533 -1.079) 3.545 11.062 ( 0.440 -8.091 1.893) 8.321 11.493 ( -6.735 -1.689 -3.671) 7.854 11.552 ( -6.001 -8.781 1.623) 10.759 11.863 ( 1.516 -4.713 -5.288) 7.244 12.094 ( 5.461 0.688 4.110) 6.869 12.708 ( 7.848 -3.535 2.172) 8.878 12.927 ( -0.299 -10.604 -0.788) 10.637 13.454 ( 1.224 -2.436 0.451) 2.763 13.635 ( -8.875 -3.286 -2.584) 9.811 13.942 ( -3.072 9.373 -0.717) 9.890 14.274 ( -2.306 9.247 0.975) 9.579 14.718 ( 3.074 17.589 1.890) 17.955 15.955 ( -8.036 -10.817 -2.886) 13.781 16.111 ( -5.111 -12.251 1.294) 13.337 16.923 ( 13.070 16.577 -1.313) 21.151 17.249 ( 19.985 -0.652 0.553) 20.003 18.389 ( -0.186 -17.272 0.308) 17.276 19.390 ( -18.459 9.274 2.608) 20.822 20.458 ( -2.148 3.654 1.836) 4.619 21.117 ( 4.598 5.494 -4.389) 8.402 23.284 ( 0.585 0.690 -0.406) 0.992 23.414 ( -0.509 1.043 1.027) 1.549 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -0.000 0.000 -0.000) 0.000 2.596 ( 0.000 -0.000 0.000) 0.000 2.667 ( -0.000 0.000 -0.000) 0.000 2.730 ( 0.000 -0.000 0.000) 0.000 2.992 ( 0.000 -0.000 -0.000) 0.000 3.116 ( -0.000 -0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.330 ( -0.000 -0.000 0.000) 0.000 3.455 ( 0.000 -0.000 0.000) 0.000 3.581 ( 0.000 -0.000 0.000) 0.000 3.702 ( 0.000 -0.000 -0.000) 0.000 3.766 ( -0.000 -0.000 0.000) 0.000 4.077 ( 0.000 -0.000 -0.000) 0.000 4.494 ( 0.000 -0.000 0.000) 0.000 4.588 ( -0.000 0.000 0.000) 0.000 4.632 ( 0.000 -0.000 -0.000) 0.000 4.853 ( -0.000 -0.000 0.000) 0.000 4.913 ( 0.000 -0.000 0.000) 0.000 5.329 ( 0.000 -0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 -0.000 0.000) 0.000 5.702 ( 0.000 -0.000 -0.000) 0.000 6.007 ( 0.000 -0.000 0.000) 0.000 6.025 ( -0.000 -0.000 -0.000) 0.000 6.594 ( 0.000 -0.000 -0.000) 0.000 6.706 ( 0.000 -0.000 0.000) 0.000 6.976 ( 0.000 -0.000 -0.000) 0.000 7.266 ( 0.000 -0.000 0.000) 0.000 7.765 ( -0.000 -0.000 -0.000) 0.000 7.949 ( 0.000 -0.000 0.000) 0.000 8.179 ( -0.000 -0.000 0.000) 0.000 8.549 ( 0.000 -0.000 0.000) 0.000 8.595 ( 0.000 -0.000 0.000) 0.000 9.636 ( 0.000 -0.000 -0.000) 0.000 10.038 ( -0.000 -0.000 -0.000) 0.000 10.048 ( 0.000 -0.000 0.000) 0.000 10.432 ( 0.000 -0.000 0.000) 0.000 10.610 ( -0.000 -0.000 -0.000) 0.000 11.187 ( 0.000 -0.000 -0.000) 0.000 11.379 ( 0.000 -0.000 0.000) 0.000 11.643 ( 0.000 -0.000 0.000) 0.000 11.907 ( 0.000 -0.000 0.000) 0.000 12.128 ( 0.000 -0.000 0.000) 0.000 12.785 ( 0.000 -0.000 0.000) 0.000 13.044 ( 0.000 -0.000 0.000) 0.000 13.490 ( 0.000 -0.000 0.000) 0.000 13.634 ( 0.000 -0.000 0.000) 0.000 13.794 ( -0.000 0.000 0.000) 0.000 14.221 ( 0.000 -0.000 0.000) 0.000 14.532 ( 0.000 -0.000 0.000) 0.000 16.009 ( 0.000 -0.000 -0.000) 0.000 16.226 ( 0.000 -0.000 0.000) 0.000 16.804 ( 0.000 -0.000 0.000) 0.000 17.354 ( 0.000 -0.000 0.000) 0.000 18.571 ( 0.000 -0.000 0.000) 0.000 19.199 ( 0.000 -0.000 0.000) 0.000 20.419 ( 0.000 -0.000 0.000) 0.000 21.078 ( 0.000 -0.000 0.000) 0.000 23.280 ( 0.000 -0.000 0.000) 0.000 23.404 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 24.362 0.000 9.004) 25.972 0.483 ( 24.993 0.000 18.060) 30.835 1.010 ( 57.612 0.000 13.410) 59.152 2.872 ( 0.348 0.000 -4.367) 4.381 2.955 ( 5.854 0.000 0.133) 5.856 3.254 ( -4.503 -0.000 0.671) 4.553 3.309 ( -3.640 -0.000 -9.406) 10.086 3.418 ( 4.902 0.000 -6.029) 7.771 3.532 ( -3.084 -0.000 1.116) 3.279 3.780 ( -5.555 -0.000 6.205) 8.328 3.813 ( 2.397 0.000 12.372) 12.602 4.057 ( -3.480 -0.000 2.126) 4.078 4.070 ( -5.848 -0.000 -5.722) 8.181 4.249 ( 5.183 0.000 2.500) 5.754 4.458 ( -5.424 -0.000 1.035) 5.521 4.655 ( -0.665 -0.000 -0.324) 0.740 4.698 ( -7.268 -0.000 -5.024) 8.835 5.004 ( 8.211 0.000 4.002) 9.134 5.125 ( -0.062 -0.000 -3.368) 3.369 5.316 ( 4.290 0.000 -11.652) 12.417 5.472 ( 2.184 0.000 3.187) 3.864 5.709 ( 3.122 0.000 11.596) 12.009 5.963 ( 0.472 0.000 -3.758) 3.788 6.040 ( -1.604 -0.000 -8.756) 8.902 6.274 ( -10.730 -0.000 9.843) 14.561 6.606 ( -4.219 -0.000 -3.888) 5.737 6.689 ( 9.425 0.000 -0.170) 9.426 6.781 ( -7.880 -0.000 0.515) 7.897 7.337 ( 4.415 0.000 3.585) 5.687 7.397 ( 2.716 0.000 -1.694) 3.201 7.576 ( 6.399 0.000 -13.167) 14.640 8.445 ( -5.583 -0.000 4.177) 6.973 9.160 ( -8.194 -0.000 0.324) 8.200 9.614 ( -1.457 -0.000 -1.420) 2.034 9.759 ( 5.091 0.000 -7.179) 8.801 10.241 ( 3.174 0.000 -2.239) 3.884 10.363 ( -0.037 -0.000 3.086) 3.087 10.374 ( -6.160 -0.000 -30.691) 31.304 10.633 ( 3.716 0.000 -1.289) 3.933 10.708 ( 7.786 0.000 -8.425) 11.471 11.006 ( -4.722 -0.000 -5.634) 7.351 11.060 ( -1.166 -0.000 0.307) 1.206 12.404 ( 0.013 0.000 -0.021) 0.025 12.491 ( -4.565 -0.000 2.494) 5.202 12.599 ( 8.114 0.000 -28.908) 30.025 13.127 ( -0.953 -0.000 22.609) 22.629 13.931 ( 2.513 0.000 3.390) 4.220 14.633 ( -3.208 -0.000 9.257) 9.797 14.636 ( 4.280 0.000 -0.096) 4.281 15.228 ( -1.752 -0.000 0.206) 1.764 15.779 ( -15.927 -0.000 16.558) 22.975 15.912 ( 3.377 0.000 -1.868) 3.859 16.974 ( -2.244 -0.000 2.724) 3.529 16.990 ( 0.090 0.000 -2.720) 2.722 17.491 ( 13.106 0.000 4.602) 13.891 19.903 ( -24.133 -0.000 82.996) 86.433 20.863 ( -4.998 -0.000 -7.038) 8.632 21.526 ( 24.648 0.000 -70.565) 74.746 23.314 ( 1.611 0.000 -0.072) 1.613 23.529 ( -4.065 -0.000 11.604) 12.296 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 20.208 -15.860 13.530) 29.034 1.044 ( 18.769 -29.115 6.685) 35.280 1.677 ( 42.077 -24.497 9.735) 49.652 2.886 ( 0.422 -1.532 -4.003) 4.307 3.035 ( 7.102 -3.588 -0.007) 7.957 3.207 ( -1.892 0.533 -1.709) 2.605 3.279 ( -4.988 -1.414 -4.108) 6.615 3.447 ( 4.239 0.829 -5.568) 7.047 3.472 ( -2.943 0.357 -2.620) 3.957 3.757 ( -3.505 -0.572 -0.884) 3.660 3.882 ( -3.812 3.327 9.862) 11.084 3.937 ( -3.346 5.054 0.697) 6.101 4.027 ( -3.370 1.726 -1.079) 3.937 4.224 ( 5.454 6.408 1.632) 8.571 4.432 ( -5.237 -3.391 0.976) 6.315 4.655 ( -9.057 -2.648 -2.143) 9.676 4.737 ( -0.271 -7.524 -3.366) 8.247 5.051 ( -0.359 1.266 1.281) 1.836 5.150 ( 5.962 -0.377 -0.763) 6.023 5.368 ( 3.590 -4.969 -11.591) 13.112 5.473 ( 2.229 2.184 2.397) 3.935 5.730 ( 3.889 2.410 11.689) 12.552 5.914 ( 2.759 5.788 -3.607) 7.357 6.136 ( -2.543 -13.211 -7.442) 15.375 6.274 ( -10.112 -7.643 6.097) 14.065 6.564 ( -2.945 -1.940 -2.008) 4.058 6.673 ( -10.338 3.035 -0.556) 10.789 6.853 ( 9.483 -8.924 1.881) 13.157 7.440 ( -0.704 -5.005 -0.408) 5.071 7.487 ( 9.438 -4.847 2.874) 10.992 7.611 ( 6.100 -3.435 -7.406) 10.191 8.364 ( -6.360 3.261 4.947) 8.693 9.029 ( -7.553 8.021 -2.712) 11.346 9.612 ( 4.350 -1.857 0.809) 4.798 9.836 ( 0.269 -6.775 -5.085) 8.475 9.955 ( 1.404 11.117 -1.812) 11.351 10.339 ( -2.403 0.450 -3.974) 4.666 10.542 ( -0.419 -12.567 -1.647) 12.681 10.631 ( 3.338 0.356 2.308) 4.074 10.919 ( -9.009 -4.071 -3.378) 10.448 11.022 ( -5.848 -11.540 -4.063) 13.560 11.167 ( -0.709 -15.641 -1.603) 15.738 12.404 ( -4.162 6.404 3.830) 8.544 12.445 ( 0.845 -4.323 -0.249) 4.412 12.690 ( 1.674 -6.893 -18.095) 19.436 13.176 ( 1.639 -0.583 8.803) 8.973 13.894 ( 3.086 6.629 2.794) 7.828 14.524 ( -1.644 9.715 3.641) 10.504 14.749 ( 3.051 -6.100 -0.070) 6.820 15.313 ( -3.338 -10.267 -0.100) 10.796 15.348 ( 0.030 22.907 7.076) 23.975 15.893 ( 2.688 4.474 -1.184) 5.352 17.054 ( 0.356 -8.725 2.188) 9.002 17.256 ( -4.092 -15.130 -9.989) 18.586 17.616 ( 13.290 -0.183 5.299) 14.308 19.854 ( -18.880 3.829 37.002) 41.717 20.768 ( -6.155 3.540 -4.577) 8.448 21.473 ( 16.729 7.994 -27.392) 33.077 23.324 ( 2.057 0.591 -0.263) 2.156 23.509 ( -2.516 1.370 5.739) 6.414 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 15.767 -19.690 10.998) 27.518 1.653 ( 22.283 -20.494 6.368) 30.937 2.441 ( 17.636 -28.655 1.466) 33.679 2.917 ( 0.917 -3.122 0.039) 3.254 3.149 ( 2.994 0.627 4.022) 5.053 3.207 ( 0.100 0.840 2.917) 3.037 3.282 ( -0.433 -7.722 -2.950) 8.278 3.400 ( -2.870 0.545 -4.009) 4.960 3.505 ( 1.222 -2.238 -7.887) 8.289 3.688 ( -5.807 9.681 -1.382) 11.374 3.708 ( -1.007 4.836 -1.373) 5.126 3.856 ( -0.168 2.220 1.639) 2.765 3.972 ( 3.055 4.725 1.301) 5.775 4.131 ( 2.082 8.006 1.719) 8.449 4.488 ( -6.540 -4.665 -1.250) 8.130 4.663 ( -5.628 -8.240 -1.692) 10.121 4.883 ( 0.895 -8.361 -1.572) 8.555 4.976 ( -3.683 5.001 0.536) 6.234 5.198 ( 7.187 1.104 4.645) 8.629 5.443 ( 6.662 -0.476 -11.255) 13.088 5.482 ( -1.483 -2.771 1.466) 3.468 5.744 ( 3.602 5.227 2.015) 6.660 5.826 ( 1.568 1.284 3.549) 4.087 6.339 ( -1.973 -11.103 -1.748) 11.411 6.396 ( -7.425 -8.051 -0.909) 10.990 6.487 ( -9.501 0.219 -0.164) 9.505 6.673 ( 0.619 -7.926 -4.380) 9.077 7.129 ( 6.808 -13.748 3.623) 15.763 7.452 ( 0.273 1.671 -2.977) 3.424 7.696 ( 9.668 -7.401 6.638) 13.868 7.785 ( 2.747 -12.711 -3.980) 13.600 8.277 ( -7.106 1.379 2.952) 7.818 8.805 ( -6.188 9.039 -2.707) 11.284 9.665 ( 2.039 0.611 -1.136) 2.412 9.866 ( 0.539 -0.075 3.483) 3.525 9.997 ( 0.046 -12.077 -3.098) 12.468 10.277 ( -1.782 3.457 -1.997) 4.372 10.671 ( 3.200 -0.318 2.788) 4.256 10.799 ( -1.112 -11.853 1.026) 11.949 10.916 ( -7.296 -10.910 -3.099) 13.486 11.176 ( -7.063 -13.155 0.391) 14.936 11.474 ( -4.809 -19.374 -5.194) 20.627 12.254 ( -0.068 8.700 5.035) 10.052 12.564 ( 1.391 -8.001 -0.935) 8.174 12.753 ( 3.259 -1.832 -7.419) 8.307 13.214 ( -1.600 -2.714 1.954) 3.707 13.782 ( 2.453 8.610 0.850) 8.993 14.325 ( -1.680 11.521 1.368) 11.723 14.765 ( -1.897 9.236 2.942) 9.877 15.115 ( 3.354 5.593 0.609) 6.550 15.481 ( -7.143 -12.275 0.350) 14.206 15.830 ( 1.159 1.780 -2.976) 3.656 17.250 ( 10.953 -6.161 1.012) 12.608 17.390 ( 5.804 -1.809 -6.000) 8.542 17.754 ( 8.438 -6.955 2.008) 11.118 19.650 ( -20.416 7.930 17.115) 27.796 20.639 ( -5.170 4.798 -0.648) 7.083 21.392 ( 9.966 8.602 -12.552) 18.190 23.324 ( 1.920 1.192 -0.478) 2.310 23.472 ( -1.824 1.887 3.386) 4.284 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 12.536 -20.315 9.084) 25.542 2.162 ( 20.359 -16.681 5.414) 26.872 2.806 ( 1.121 -7.096 -6.255) 9.525 3.020 ( -2.256 1.263 6.881) 7.351 3.072 ( -3.265 1.543 -0.473) 3.642 3.167 ( -3.616 2.259 3.375) 5.438 3.346 ( -0.465 3.578 -6.706) 7.615 3.432 ( -1.007 0.786 0.290) 1.310 3.508 ( -2.033 1.882 -2.492) 3.726 3.538 ( -2.304 -2.724 1.620) 3.918 3.665 ( 3.970 -3.436 -3.823) 6.495 3.876 ( 5.343 7.121 -2.569) 9.266 3.952 ( 4.097 -2.545 6.297) 7.932 4.065 ( 8.087 -3.833 -2.729) 9.356 4.481 ( -4.021 -2.428 -5.944) 7.576 4.738 ( -10.632 -0.133 6.550) 12.488 4.891 ( 0.072 0.051 0.112) 0.142 5.029 ( 3.513 -7.717 -1.094) 8.549 5.257 ( 3.306 -1.434 3.812) 5.246 5.407 ( -1.089 7.170 -3.211) 7.931 5.518 ( 4.271 -1.960 -8.657) 9.850 5.671 ( 2.489 1.709 -1.590) 3.413 5.905 ( 2.362 -3.972 5.895) 7.490 6.218 ( -13.934 6.904 1.278) 15.603 6.494 ( 0.017 -6.357 -2.743) 6.924 6.639 ( -3.109 -12.504 5.466) 13.996 6.803 ( 5.792 -3.260 -8.461) 10.759 7.383 ( 1.320 1.681 -2.398) 3.212 7.474 ( 6.098 -14.548 2.748) 16.012 7.865 ( -0.041 -4.412 3.022) 5.348 8.041 ( 4.924 -9.764 1.997) 11.116 8.250 ( -5.909 -7.395 -0.421) 9.476 8.631 ( -4.662 4.927 -0.784) 6.828 9.634 ( -2.502 0.914 -3.052) 4.050 9.936 ( -1.439 -4.772 2.765) 5.700 10.163 ( 5.454 1.413 -2.300) 6.085 10.253 ( 1.176 -7.300 3.257) 8.080 10.659 ( -2.013 1.994 -0.710) 2.921 10.912 ( -1.775 -8.149 1.414) 8.460 11.201 ( -3.755 -18.404 2.029) 18.892 11.361 ( -6.153 -11.888 0.956) 13.420 11.694 ( -5.171 -12.463 -12.260) 18.231 12.167 ( 3.289 3.588 8.295) 9.617 12.724 ( 1.264 -8.233 -0.988) 8.387 12.806 ( 8.266 -1.491 -0.645) 8.424 13.273 ( -6.668 -8.194 -0.713) 10.588 13.653 ( 1.605 7.382 -1.611) 7.724 14.103 ( -3.733 11.641 1.166) 12.280 14.500 ( -1.915 15.876 1.585) 16.070 15.019 ( 2.161 12.006 1.692) 12.315 15.636 ( -8.417 -13.799 -0.277) 16.166 15.885 ( -2.015 -8.241 -3.177) 9.059 17.306 ( 10.969 12.228 -1.664) 16.511 17.476 ( 21.708 1.250 -1.844) 21.822 18.046 ( 2.895 -19.522 1.910) 19.828 19.357 ( -22.617 7.937 7.567) 25.136 20.527 ( -2.139 4.453 1.491) 5.160 21.269 ( 4.366 9.079 -7.110) 12.331 23.311 ( 1.314 1.513 -0.450) 2.053 23.434 ( -1.185 1.583 1.996) 2.810 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 9.657 -18.577 6.831) 22.023 2.578 ( 13.061 -12.551 4.399) 18.640 2.785 ( -6.939 7.434 -2.518) 10.476 2.830 ( -2.705 13.993 -1.231) 14.305 2.974 ( -2.381 0.670 -2.131) 3.265 3.173 ( -2.807 0.488 4.399) 5.241 3.239 ( -4.136 1.451 -3.506) 5.612 3.393 ( 3.321 2.718 -1.409) 4.517 3.475 ( 3.821 1.227 -1.934) 4.455 3.609 ( -1.033 -2.335 -0.378) 2.581 3.733 ( 3.577 2.014 0.341) 4.119 3.738 ( -2.433 2.228 0.190) 3.304 4.044 ( 1.530 -4.625 -4.175) 6.416 4.369 ( 7.312 -12.256 7.654) 16.194 4.513 ( 1.168 -4.431 -7.607) 8.881 4.637 ( -4.463 0.898 3.160) 5.542 4.868 ( -2.258 2.852 6.376) 7.341 5.086 ( -1.069 10.924 -2.075) 11.170 5.278 ( -3.527 -6.464 -5.519) 9.202 5.360 ( 5.293 -3.173 0.448) 6.187 5.539 ( 0.538 1.000 -3.595) 3.770 5.697 ( 1.545 -0.966 -0.184) 1.831 5.974 ( -4.015 -0.299 0.014) 4.026 6.048 ( -1.981 0.542 2.589) 3.305 6.558 ( -2.145 -2.581 1.489) 3.672 6.774 ( 2.946 2.924 -0.170) 4.154 6.883 ( 1.480 -8.920 0.036) 9.042 7.314 ( 0.926 4.650 -3.495) 5.890 7.779 ( 4.951 -2.226 -0.344) 5.439 7.855 ( -5.642 -7.099 -0.507) 9.082 8.155 ( 1.201 -3.169 2.837) 4.420 8.469 ( -0.135 -12.713 -0.361) 12.719 8.563 ( 1.539 0.511 3.266) 3.647 9.602 ( -3.479 -1.400 -4.792) 6.084 9.926 ( -13.059 -0.314 0.662) 13.080 10.187 ( 12.767 2.935 1.130) 13.149 10.412 ( 3.779 -4.633 0.414) 5.993 10.618 ( -0.288 0.308 1.266) 1.335 11.078 ( 0.363 -10.015 2.317) 10.285 11.381 ( -4.504 -1.068 -3.949) 6.085 11.470 ( -6.291 -11.896 3.426) 13.887 11.836 ( -1.159 -8.366 -6.816) 10.853 12.174 ( 2.178 1.765 4.250) 5.091 12.816 ( 3.321 -0.276 -0.084) 3.333 12.970 ( 6.774 -7.828 1.684) 10.488 13.416 ( -5.373 -13.927 -0.022) 14.928 13.555 ( -0.375 3.368 -3.174) 4.643 13.874 ( -5.164 9.516 1.785) 10.973 14.263 ( 1.137 8.963 -1.998) 9.254 14.758 ( 0.377 17.389 3.241) 17.692 15.830 ( -6.052 -14.195 -2.173) 15.584 16.027 ( -5.530 -11.442 0.292) 12.712 17.094 ( 8.872 18.953 -2.280) 21.050 17.545 ( 16.252 10.754 -0.485) 19.494 18.425 ( 3.630 -17.124 2.839) 17.734 19.121 ( -15.451 -0.486 1.870) 15.571 20.462 ( 1.452 2.943 1.507) 3.611 21.128 ( -0.617 6.588 -3.676) 7.570 23.293 ( 0.617 1.217 -0.033) 1.364 23.409 ( -0.566 0.768 0.700) 1.183 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -12.873 16.548 -3.545) 21.263 2.461 ( -6.169 20.094 -2.434) 21.161 2.697 ( 7.399 -13.223 3.119) 15.470 2.931 ( 8.220 -10.474 1.538) 13.403 2.989 ( 1.596 -0.139 1.350) 2.095 3.132 ( 2.241 0.331 -1.351) 2.637 3.247 ( -3.972 -4.446 -1.721) 6.205 3.403 ( 4.251 -0.581 -0.864) 4.377 3.465 ( 1.664 2.424 -2.216) 3.682 3.566 ( -2.750 0.535 2.974) 4.086 3.726 ( 1.482 1.537 3.712) 4.283 3.761 ( 0.104 -1.077 -2.740) 2.945 4.080 ( 0.336 0.701 1.869) 2.024 4.471 ( -1.586 2.690 -2.499) 3.999 4.604 ( 2.137 -2.890 -1.505) 3.897 4.645 ( -0.271 1.501 4.992) 5.220 4.788 ( -4.548 7.562 -2.488) 9.168 4.950 ( 2.477 -6.978 0.508) 7.422 5.267 ( -5.523 1.817 -0.573) 5.843 5.480 ( 0.433 3.964 2.350) 4.629 5.520 ( 1.916 -5.688 -1.314) 6.144 5.665 ( -3.338 2.250 0.748) 4.095 5.941 ( -2.127 -0.099 -2.857) 3.563 6.132 ( 7.664 -4.706 -1.352) 9.094 6.575 ( -3.458 -1.305 5.246) 6.417 6.693 ( -0.255 4.633 -3.587) 5.865 7.030 ( 3.876 -0.616 7.177) 8.180 7.244 ( -1.317 -0.045 -4.789) 4.967 7.614 ( -11.076 7.091 -3.780) 13.684 8.039 ( 5.328 -3.738 -3.008) 7.170 8.214 ( 2.849 -0.592 5.065) 5.841 8.523 ( 0.987 0.411 -2.812) 3.009 8.683 ( 5.285 -1.877 6.298) 8.433 9.607 ( -1.736 -2.272 -5.113) 5.858 9.805 ( -14.223 0.358 0.540) 14.238 10.217 ( 5.948 2.007 -0.949) 6.349 10.454 ( 3.871 2.988 -0.634) 4.931 10.657 ( 4.115 -1.435 2.915) 5.242 11.158 ( -1.837 3.416 -2.534) 4.633 11.421 ( 3.653 -9.687 1.991) 10.542 11.627 ( -2.713 -7.296 2.312) 8.120 11.881 ( -2.294 -0.361 -2.234) 3.223 12.107 ( -2.181 7.331 0.295) 7.654 12.778 ( -0.239 6.247 -1.339) 6.393 13.074 ( 2.783 2.912 1.852) 4.434 13.456 ( -3.575 2.828 -0.378) 4.574 13.678 ( 5.020 -8.598 -0.193) 9.958 13.806 ( 0.697 -7.751 1.408) 7.908 14.221 ( 1.036 -2.259 -3.823) 4.560 14.522 ( -1.897 5.310 2.637) 6.225 16.004 ( -0.501 -8.680 -0.006) 8.694 16.190 ( -3.987 -9.684 0.241) 10.476 16.816 ( 1.788 15.002 -1.641) 15.197 17.319 ( -3.936 18.856 0.138) 19.263 18.582 ( 0.856 2.862 1.546) 3.364 19.247 ( 5.131 -16.975 -0.307) 17.736 20.456 ( 4.544 0.481 -0.151) 4.571 21.035 ( -5.050 0.577 0.076) 5.083 23.281 ( 0.058 0.469 0.405) 0.623 23.402 ( -0.071 -0.259 -0.336) 0.430 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -15.787 21.633 -3.677) 27.032 2.015 ( -4.385 24.763 -3.448) 25.384 2.899 ( 3.470 -1.691 -3.419) 5.156 3.010 ( 2.214 -5.131 4.202) 6.992 3.124 ( -1.141 -1.031 1.816) 2.380 3.160 ( 5.943 -1.442 -4.493) 7.588 3.349 ( 1.414 -10.212 -1.577) 10.429 3.423 ( -0.783 2.738 2.008) 3.484 3.483 ( 0.782 -5.246 0.810) 5.366 3.592 ( -2.752 -3.613 5.992) 7.518 3.685 ( 3.106 5.384 -5.014) 7.986 3.735 ( -2.009 1.740 0.508) 2.706 4.065 ( 1.784 2.368 3.008) 4.224 4.156 ( -2.162 24.158 -0.413) 24.258 4.595 ( -0.810 -2.226 10.652) 10.912 4.739 ( -0.429 -7.489 -13.190) 15.174 4.802 ( 2.631 -6.148 -1.089) 6.775 5.044 ( -2.393 1.733 0.495) 2.996 5.201 ( -2.527 0.490 0.847) 2.710 5.375 ( -3.822 4.473 3.408) 6.799 5.572 ( 0.865 0.424 6.996) 7.062 5.653 ( 1.620 -0.348 -2.881) 3.324 5.875 ( -2.510 4.489 -4.731) 6.988 6.310 ( 9.015 -7.563 -3.987) 12.425 6.555 ( -1.135 2.654 0.717) 2.974 6.638 ( -6.413 -1.921 2.984) 7.329 6.950 ( 2.961 11.460 4.554) 12.682 7.285 ( -4.717 -2.628 -0.809) 5.460 7.419 ( -5.251 3.724 -3.170) 7.175 8.014 ( 1.518 8.322 -3.853) 9.296 8.209 ( 2.415 6.313 3.246) 7.498 8.504 ( 5.170 3.466 -0.930) 6.294 8.706 ( 2.333 2.135 3.162) 4.472 9.595 ( -3.527 0.963 -1.751) 4.054 9.737 ( -7.357 -3.130 -1.274) 8.096 10.234 ( 1.622 -1.340 -2.147) 3.006 10.377 ( 2.545 8.128 1.466) 8.643 10.710 ( 3.881 0.496 0.330) 3.927 11.048 ( -0.442 5.406 -1.122) 5.539 11.604 ( 5.021 7.848 2.713) 9.704 11.661 ( 8.034 0.442 -0.407) 8.057 11.836 ( -3.538 1.312 1.800) 4.181 11.972 ( -7.808 -2.715 -1.364) 8.379 12.593 ( -4.747 10.266 -2.085) 11.501 12.947 ( 1.215 11.652 0.860) 11.747 13.416 ( -2.330 -1.107 -0.315) 2.599 13.809 ( 10.950 0.704 -1.558) 11.083 13.970 ( -1.625 -5.538 6.415) 8.629 14.319 ( 4.323 -10.856 -4.630) 12.569 14.650 ( -4.358 -18.200 0.030) 18.715 16.105 ( 7.781 3.434 4.404) 9.578 16.176 ( 4.755 12.930 -3.216) 14.147 16.717 ( -12.390 -10.202 0.072) 16.050 16.947 ( -15.653 9.200 -0.754) 18.172 18.412 ( 1.816 16.530 0.684) 16.643 19.639 ( 12.508 -16.832 -1.724) 21.042 20.521 ( 6.787 -2.966 -2.294) 7.753 21.024 ( -8.773 -4.617 4.053) 10.711 23.279 ( -0.352 -0.175 0.451) 0.598 23.416 ( 0.298 -1.333 -0.806) 1.586 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -12.988 24.613 -2.896) 27.980 1.517 ( -3.304 27.236 -2.777) 27.576 2.874 ( 2.868 15.639 5.425) 16.800 2.960 ( -3.424 10.774 -6.075) 12.834 3.127 ( 1.468 12.315 -5.146) 13.428 3.170 ( 3.076 -6.538 -0.647) 7.255 3.286 ( -6.189 0.622 5.758) 8.476 3.524 ( 3.725 3.811 -4.706) 7.109 3.579 ( -2.044 3.964 4.008) 5.996 3.607 ( 1.401 -10.410 0.737) 10.529 3.646 ( 1.324 -10.582 1.724) 10.803 3.805 ( 2.295 -7.320 -4.323) 8.806 3.861 ( -3.392 4.411 4.842) 7.376 4.056 ( 1.488 1.309 0.198) 1.992 4.708 ( 4.278 -4.909 8.791) 10.940 4.821 ( -1.582 -5.459 -10.112) 11.600 4.885 ( -2.393 11.931 1.701) 12.287 4.906 ( -0.745 -3.549 -1.203) 3.821 5.169 ( 3.928 2.511 -1.549) 4.913 5.332 ( -5.463 -1.827 3.233) 6.606 5.593 ( 1.392 1.269 3.422) 3.907 5.649 ( 0.052 0.135 3.624) 3.627 5.742 ( -2.311 6.187 -7.335) 9.871 6.446 ( -0.282 -1.621 0.661) 1.773 6.544 ( 7.880 -0.984 -10.083) 12.835 6.631 ( -7.210 -2.494 8.113) 11.137 6.761 ( 0.939 12.082 3.961) 12.749 7.154 ( -4.954 9.036 -1.188) 10.373 7.427 ( 0.164 -2.155 0.032) 2.161 7.781 ( -0.052 16.108 -2.491) 16.300 8.035 ( 0.252 14.213 0.880) 14.243 8.496 ( 5.384 2.430 1.323) 6.053 8.714 ( -1.138 -3.186 -0.656) 3.446 9.537 ( -4.194 1.080 0.316) 4.343 9.769 ( -0.448 -3.703 -1.683) 4.093 10.197 ( -0.271 8.665 -0.903) 8.716 10.321 ( 1.715 -2.596 1.730) 3.560 10.676 ( 0.835 5.269 -1.022) 5.432 10.967 ( 0.458 4.968 -0.067) 4.990 11.378 ( 4.526 19.322 2.561) 20.010 11.480 ( 0.440 12.547 -1.799) 12.683 11.886 ( -0.754 12.789 2.826) 13.119 12.047 ( 2.945 -14.869 -2.651) 15.388 12.461 ( -6.894 -3.768 -0.585) 7.878 12.743 ( 0.177 11.389 0.463) 11.399 13.410 ( 0.275 2.103 -1.110) 2.393 13.805 ( 5.636 3.777 2.550) 7.248 14.124 ( -1.105 -11.543 1.562) 11.701 14.572 ( 1.850 -13.764 -3.351) 14.287 14.929 ( -1.465 -12.870 0.213) 12.955 15.902 ( 5.261 18.617 -3.595) 19.677 15.966 ( 0.746 15.169 4.654) 15.884 16.828 ( -11.060 -13.214 0.480) 17.238 16.929 ( -6.417 -13.479 -0.878) 14.954 18.077 ( 1.245 21.784 0.561) 21.827 19.975 ( 11.344 -10.404 -3.630) 15.815 20.648 ( 5.819 -5.889 -2.794) 8.737 21.059 ( -9.387 -5.950 6.252) 12.752 23.282 ( -0.421 -0.487 0.205) 0.676 23.448 ( 0.375 -2.075 -0.747) 2.237 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 25.970 0.000) 25.970 1.007 ( 0.000 28.449 0.000) 28.449 2.123 ( 0.000 54.155 0.000) 54.155 2.939 ( -0.000 -0.024 -0.000) 0.024 2.981 ( 0.000 4.583 0.000) 4.583 3.268 ( 0.000 0.294 0.000) 0.294 3.308 ( -0.000 -5.758 -0.000) 5.758 3.434 ( 0.000 4.585 0.000) 4.585 3.522 ( 0.000 1.702 0.000) 1.702 3.817 ( -0.000 -1.722 -0.000) 1.722 3.840 ( -0.000 -11.541 -0.000) 11.541 3.870 ( -0.000 -11.664 -0.000) 11.664 3.957 ( -0.000 -4.214 -0.000) 4.214 4.034 ( -0.000 -0.233 -0.000) 0.233 4.628 ( 0.000 11.814 0.000) 11.814 4.830 ( 0.000 0.281 0.000) 0.281 4.859 ( -0.000 -1.621 -0.000) 1.621 4.949 ( -0.000 -4.520 -0.000) 4.520 5.151 ( 0.000 2.190 0.000) 2.190 5.361 ( -0.000 -3.421 -0.000) 3.421 5.541 ( 0.000 6.859 0.000) 6.859 5.607 ( 0.000 2.282 0.000) 2.282 5.704 ( -0.000 -4.013 -0.000) 4.013 6.460 ( -0.000 -0.499 -0.000) 0.499 6.470 ( 0.000 9.795 0.000) 9.795 6.574 ( 0.000 9.506 0.000) 9.506 6.721 ( -0.000 -6.127 -0.000) 6.127 6.921 ( 0.000 14.234 0.000) 14.234 7.420 ( 0.000 4.348 0.000) 4.348 7.545 ( 0.000 7.010 0.000) 7.010 7.763 ( 0.000 15.635 0.000) 15.635 8.492 ( 0.000 1.098 0.000) 1.098 8.821 ( -0.000 -9.992 -0.000) 9.992 9.501 ( 0.000 1.455 0.000) 1.455 9.834 ( -0.000 -3.683 -0.000) 3.683 10.024 ( 0.000 9.706 0.000) 9.706 10.412 ( -0.000 -5.923 -0.000) 5.923 10.557 ( 0.000 7.778 0.000) 7.778 10.817 ( 0.000 12.195 0.000) 12.195 11.151 ( 0.000 7.767 0.000) 7.767 11.277 ( 0.000 10.592 0.000) 10.592 11.557 ( 0.000 21.420 0.000) 21.420 12.305 ( -0.000 -12.541 -0.000) 12.541 12.534 ( 0.000 1.284 0.000) 1.284 12.603 ( -0.000 -2.158 -0.000) 2.158 13.331 ( 0.000 6.283 0.000) 6.283 13.823 ( -0.000 -2.238 -0.000) 2.238 14.330 ( -0.000 -11.780 -0.000) 11.780 14.793 ( -0.000 -10.952 -0.000) 10.952 15.000 ( 0.000 4.051 0.000) 4.051 15.605 ( 0.000 16.406 0.000) 16.406 15.808 ( 0.000 1.531 0.000) 1.531 17.006 ( -0.000 -8.401 -0.000) 8.401 17.133 ( -0.000 -12.166 -0.000) 12.166 17.728 ( 0.000 16.432 0.000) 16.432 20.149 ( -0.000 -4.339 -0.000) 4.339 20.786 ( -0.000 -6.770 -0.000) 6.770 21.114 ( -0.000 -4.353 -0.000) 4.353 23.290 ( -0.000 -0.536 -0.000) 0.536 23.487 ( -0.000 -2.099 -0.000) 2.099 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 24.309 0.000 8.625) 25.793 0.957 ( 24.211 0.000 17.391) 29.810 1.910 ( 46.427 0.000 9.468) 47.382 2.845 ( -1.422 -0.000 -5.992) 6.158 3.074 ( 7.789 0.000 -0.916) 7.843 3.197 ( -2.749 -0.000 -13.458) 13.736 3.208 ( -0.853 -0.000 1.659) 1.866 3.458 ( 2.874 0.000 -5.283) 6.014 3.476 ( -3.158 -0.000 2.611) 4.098 3.752 ( 2.015 0.000 -1.112) 2.302 3.897 ( -4.480 -0.000 18.191) 18.735 3.931 ( -6.913 -0.000 -7.741) 10.379 4.007 ( -1.014 -0.000 2.690) 2.875 4.317 ( -0.444 -0.000 0.867) 0.974 4.377 ( -2.736 -0.000 1.058) 2.933 4.555 ( -6.928 -0.000 -2.594) 7.398 4.664 ( 1.629 0.000 -3.496) 3.857 5.094 ( -1.522 -0.000 -2.556) 2.975 5.143 ( 7.086 0.000 3.112) 7.739 5.343 ( 5.240 0.000 -10.499) 11.734 5.531 ( 4.670 0.000 -2.098) 5.119 5.831 ( 3.876 0.000 14.068) 14.592 5.943 ( -2.988 -0.000 -6.244) 6.922 5.947 ( -1.651 -0.000 -10.683) 10.810 6.145 ( -10.095 -0.000 10.606) 14.642 6.476 ( -10.783 -0.000 -2.248) 11.015 6.603 ( -13.811 -0.000 -0.927) 13.843 6.857 ( 9.794 0.000 2.350) 10.072 7.391 ( 2.086 0.000 -1.818) 2.767 7.515 ( 10.951 0.000 4.416) 11.808 7.637 ( 7.521 0.000 -9.352) 12.001 8.385 ( -4.543 -0.000 8.702) 9.816 8.991 ( -12.533 -0.000 0.369) 12.539 9.574 ( -2.097 -0.000 -2.220) 3.054 9.796 ( 1.772 0.000 -3.547) 3.965 10.111 ( -12.045 -0.000 -19.230) 22.691 10.283 ( 3.272 0.000 -2.321) 4.011 10.398 ( 2.334 0.000 3.157) 3.926 10.697 ( 4.399 0.000 -0.953) 4.501 10.743 ( -2.799 -0.000 2.632) 3.842 10.887 ( -4.969 -0.000 -6.751) 8.382 11.019 ( -4.065 -0.000 -0.014) 4.065 12.414 ( 1.537 0.000 -0.283) 1.563 12.433 ( -4.537 -0.000 0.203) 4.542 12.596 ( 5.107 0.000 -11.802) 12.860 13.241 ( 6.161 0.000 6.413) 8.893 13.995 ( 2.846 0.000 4.169) 5.048 14.614 ( -3.239 -0.000 4.107) 5.231 14.728 ( 6.943 0.000 0.016) 6.943 15.191 ( -3.041 -0.000 0.310) 3.057 15.573 ( -12.916 -0.000 -0.648) 12.932 15.973 ( 3.993 0.000 1.763) 4.365 16.941 ( -3.467 -0.000 3.031) 4.605 16.975 ( -0.224 -0.000 -3.034) 3.042 17.775 ( 18.344 0.000 4.947) 18.999 19.891 ( -10.666 -0.000 33.226) 34.896 20.730 ( -7.331 -0.000 -5.865) 9.388 21.604 ( 11.898 0.000 -24.830) 27.533 23.348 ( 2.553 0.000 -0.461) 2.595 23.513 ( -3.104 -0.000 6.684) 7.369 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 21.706 -10.242 13.624) 27.598 1.360 ( 17.760 -26.826 8.056) 33.166 2.329 ( 30.305 -9.081 4.127) 31.905 2.852 ( -3.499 -3.876 -3.915) 6.527 3.127 ( 3.655 -3.322 -4.189) 6.477 3.193 ( -1.195 -2.564 -8.446) 8.907 3.230 ( 6.153 -0.104 0.280) 6.160 3.394 ( -5.522 3.405 3.848) 7.543 3.497 ( 3.899 0.171 -2.788) 4.796 3.769 ( 2.269 3.147 -2.435) 4.580 3.794 ( -1.816 5.497 -0.736) 5.836 3.869 ( -5.259 0.716 1.269) 5.457 4.063 ( 4.139 -0.406 9.012) 9.926 4.269 ( -1.476 4.114 0.224) 4.377 4.369 ( -2.626 -2.458 2.186) 4.209 4.516 ( -7.014 -1.933 -2.095) 7.571 4.726 ( 0.594 -6.527 -4.938) 8.206 5.038 ( -0.353 3.388 1.233) 3.623 5.262 ( 7.054 -2.304 0.525) 7.439 5.373 ( 0.560 -3.147 -2.275) 3.923 5.534 ( 6.932 2.442 -7.701) 10.645 5.830 ( 2.870 1.650 5.001) 5.998 5.894 ( -4.015 4.328 -1.151) 6.015 6.065 ( -1.398 -14.538 -7.025) 16.206 6.174 ( -5.006 -8.364 4.941) 10.929 6.401 ( -17.433 -1.311 0.194) 17.484 6.497 ( -9.907 -4.185 -1.734) 10.894 7.000 ( 6.701 -7.437 3.036) 10.461 7.437 ( 1.298 -2.790 -2.366) 3.881 7.669 ( 7.927 -3.847 -3.140) 9.354 7.700 ( 12.069 -3.967 1.160) 12.757 8.322 ( -2.492 5.406 8.563) 10.429 8.855 ( -11.752 4.438 -1.935) 12.710 9.629 ( -0.389 -6.215 -0.721) 6.269 9.794 ( -4.156 -1.234 -8.516) 9.556 9.895 ( -5.888 2.468 -0.957) 6.456 10.346 ( 5.167 1.326 -3.166) 6.203 10.542 ( -0.138 -13.589 2.184) 13.764 10.713 ( 4.592 0.326 1.384) 4.808 10.747 ( -9.467 -3.294 -3.391) 10.581 10.897 ( -8.305 -8.343 -1.967) 11.935 11.132 ( -2.784 -13.995 -1.478) 14.346 12.363 ( -2.840 3.492 -0.042) 4.501 12.468 ( 2.314 -4.275 -0.915) 4.946 12.655 ( 2.612 -3.821 -7.089) 8.467 13.276 ( 6.110 2.830 3.363) 7.527 13.960 ( 2.871 6.961 3.474) 8.292 14.499 ( -3.418 9.273 2.520) 10.199 14.819 ( 4.895 -2.127 0.666) 5.379 15.247 ( -4.689 -8.282 0.006) 9.517 15.311 ( -3.832 13.948 -1.283) 14.521 15.933 ( 2.877 6.757 -0.031) 7.343 17.061 ( -1.006 -13.928 3.033) 14.290 17.162 ( -2.936 -17.209 -6.139) 18.506 17.900 ( 17.854 3.475 3.930) 18.609 19.768 ( -9.349 11.397 19.579) 24.508 20.644 ( -6.806 1.756 -2.797) 7.565 21.577 ( 8.599 6.565 -13.636) 17.406 23.359 ( 2.490 0.888 -0.765) 2.753 23.492 ( -2.547 1.201 4.957) 5.701 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 17.381 -14.683 11.527) 25.506 1.964 ( 14.519 -23.764 5.804) 28.447 2.662 ( 8.710 -9.702 -4.357) 13.747 2.902 ( -4.113 -6.255 0.129) 7.487 3.163 ( -4.025 4.406 6.922) 9.139 3.219 ( -1.029 1.498 1.047) 2.097 3.314 ( 7.217 -8.069 -10.765) 15.267 3.332 ( -0.329 -1.274 -7.479) 7.594 3.486 ( -1.199 1.506 0.925) 2.136 3.615 ( -1.715 7.330 -0.895) 7.581 3.681 ( -5.667 4.533 2.668) 7.732 3.998 ( 20.009 -3.416 -1.335) 20.342 4.061 ( 4.322 5.891 2.333) 7.670 4.151 ( 1.517 7.075 3.962) 8.250 4.396 ( -3.598 -2.205 -0.949) 4.325 4.568 ( -6.014 -9.077 2.517) 11.176 4.825 ( -4.464 -6.141 -6.382) 9.918 4.994 ( 3.230 1.908 2.650) 4.593 5.298 ( 1.834 1.501 5.058) 5.586 5.440 ( -0.681 -2.080 0.220) 2.200 5.547 ( 8.850 1.185 -10.650) 13.897 5.746 ( -2.627 6.143 -1.930) 6.955 5.879 ( 2.782 -2.445 3.276) 4.945 6.180 ( -18.390 3.303 1.049) 18.714 6.314 ( 0.215 -13.577 -6.896) 15.229 6.388 ( -3.526 -12.916 2.882) 13.696 6.632 ( -3.676 -15.448 -2.002) 16.005 7.224 ( 3.065 -12.799 3.362) 13.583 7.457 ( 1.750 1.565 -1.586) 2.833 7.771 ( 1.750 -6.195 -5.680) 8.585 7.951 ( 13.979 -8.841 6.860) 17.906 8.208 ( -3.463 5.996 2.826) 7.478 8.681 ( -6.996 5.022 0.073) 8.612 9.610 ( -6.469 1.855 -7.689) 10.218 9.821 ( -5.660 -4.936 3.181) 8.156 10.007 ( 0.972 -14.597 0.704) 14.647 10.336 ( 8.541 4.502 0.146) 9.656 10.649 ( -6.663 0.795 -4.671) 8.176 10.768 ( -0.911 -9.019 2.809) 9.490 10.897 ( 1.994 -13.575 4.300) 14.379 11.048 ( -8.151 -16.775 0.143) 18.651 11.356 ( -5.772 -15.425 -8.015) 18.317 12.284 ( 0.765 4.517 3.165) 5.568 12.588 ( 2.148 -7.285 -1.462) 7.735 12.730 ( -0.825 -6.144 -4.303) 7.547 13.260 ( 4.765 4.227 1.522) 6.549 13.834 ( 2.669 10.019 1.787) 10.521 14.283 ( -4.461 11.864 1.609) 12.777 14.756 ( 0.092 12.224 1.188) 12.282 15.163 ( 1.770 3.727 -0.469) 4.152 15.367 ( -6.081 -10.215 -0.116) 11.888 15.837 ( 1.225 3.982 -2.083) 4.658 17.387 ( -0.915 -13.185 -4.530) 13.972 17.395 ( 6.086 -16.258 0.700) 17.374 17.975 ( 15.570 2.165 2.034) 15.850 19.457 ( -12.203 17.232 10.705) 23.674 20.561 ( -4.294 1.985 0.028) 4.731 21.461 ( 4.692 9.890 -7.373) 13.198 23.352 ( 1.871 1.702 -0.804) 2.654 23.458 ( -1.765 1.654 3.203) 4.014 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 13.554 -16.270 8.726) 22.904 2.433 ( 10.766 -16.641 4.515) 20.328 2.788 ( 0.097 -2.787 -6.201) 6.799 2.990 ( -4.730 -1.005 -1.359) 5.023 3.001 ( -6.587 5.433 5.083) 9.937 3.089 ( -4.103 6.711 0.963) 7.924 3.322 ( 0.981 4.349 -5.467) 7.054 3.458 ( 2.501 -2.404 -1.453) 3.761 3.492 ( 2.080 -3.707 -3.285) 5.372 3.528 ( 0.708 1.580 2.256) 2.844 3.668 ( -0.246 -6.036 -4.923) 7.793 3.883 ( -3.189 10.314 -2.568) 11.097 4.047 ( 5.163 4.939 6.320) 9.539 4.305 ( 11.210 -6.079 3.724) 13.285 4.458 ( 10.477 -4.479 -2.549) 11.676 4.612 ( -7.172 -0.665 3.705) 8.100 4.853 ( -4.938 -2.604 -0.965) 5.665 5.071 ( 2.647 -7.214 -1.705) 7.871 5.254 ( -3.283 5.482 1.227) 6.506 5.400 ( -0.880 3.230 2.398) 4.118 5.563 ( 5.212 1.334 -8.951) 10.443 5.692 ( -0.499 -0.238 -0.838) 1.004 5.929 ( -5.088 -0.843 -1.412) 5.347 6.014 ( -6.298 -0.510 3.210) 7.088 6.473 ( -0.924 -6.208 -1.968) 6.578 6.624 ( -2.390 -14.747 5.345) 15.867 6.851 ( 4.133 -5.961 -4.861) 8.732 7.400 ( 2.284 3.209 -1.034) 4.073 7.550 ( 2.130 -18.393 0.777) 18.532 7.831 ( -2.532 0.804 -1.397) 3.001 8.085 ( -5.704 -1.932 -1.213) 6.143 8.268 ( 9.933 -11.047 3.989) 15.382 8.601 ( 0.614 1.372 4.586) 4.827 9.520 ( -7.898 -0.794 -8.755) 11.817 9.827 ( -8.922 -1.281 2.857) 9.455 10.299 ( 4.085 -12.165 0.982) 12.870 10.348 ( 11.800 2.854 1.684) 12.257 10.591 ( -4.764 -1.437 -1.587) 5.223 10.921 ( 0.809 -8.451 3.587) 9.216 11.146 ( -4.861 -14.683 1.287) 15.521 11.287 ( -3.852 -10.607 2.938) 11.661 11.560 ( -4.126 -16.640 -11.970) 20.910 12.239 ( 1.857 3.041 4.990) 6.132 12.737 ( 1.166 -7.794 -1.057) 7.952 12.880 ( 1.190 -12.571 -1.032) 12.670 13.230 ( 1.582 1.458 0.441) 2.196 13.678 ( 1.627 9.416 -0.902) 9.598 14.029 ( -5.716 12.263 1.709) 13.638 14.505 ( 2.049 15.380 -0.440) 15.523 15.034 ( -1.884 12.209 2.453) 12.595 15.531 ( -3.906 -13.115 -1.115) 13.730 15.840 ( -2.072 -4.909 -1.996) 5.690 17.410 ( 3.888 8.337 -2.827) 9.624 17.760 ( 14.257 -8.707 -1.583) 16.781 18.162 ( 9.318 -12.820 2.920) 16.115 19.070 ( -16.726 12.966 5.153) 21.782 20.512 ( -0.641 1.404 1.247) 1.985 21.279 ( 0.645 11.207 -4.431) 12.069 23.329 ( 1.043 1.986 -0.346) 2.270 23.425 ( -0.975 1.366 1.524) 2.266 ======================= Grid point 27 (20/172) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 8.511 -11.744 4.299) 15.128 2.627 ( -4.967 10.528 1.113) 11.694 2.712 ( -0.857 2.219 2.143) 3.201 2.833 ( -0.081 3.587 -3.990) 5.366 2.952 ( 1.999 -4.956 -1.477) 5.544 3.113 ( -4.391 -6.099 0.612) 7.540 3.222 ( 1.262 5.841 0.089) 5.976 3.447 ( 4.388 3.155 0.098) 5.406 3.539 ( 4.067 1.860 -2.438) 5.093 3.597 ( -0.083 -1.039 -1.411) 1.754 3.675 ( -5.270 0.314 0.407) 5.295 3.771 ( 1.247 -0.881 -0.846) 1.745 4.068 ( 2.658 -1.943 -0.219) 3.300 4.409 ( -4.031 -4.561 4.529) 7.587 4.546 ( 4.578 -0.497 -6.393) 7.879 4.693 ( 5.995 -1.290 8.491) 10.474 4.823 ( -1.706 -1.372 0.155) 2.195 5.050 ( -1.505 12.393 -2.499) 12.731 5.204 ( -4.602 -3.956 -1.748) 6.315 5.412 ( 0.762 -5.525 0.335) 5.587 5.538 ( 0.041 2.316 -3.103) 3.872 5.663 ( -4.049 0.825 0.393) 4.151 5.910 ( -0.622 -1.911 -1.829) 2.717 6.079 ( 1.917 -5.225 1.332) 5.723 6.528 ( -2.085 -2.204 1.322) 3.309 6.819 ( 2.623 4.048 1.193) 4.969 6.906 ( 0.070 -10.550 1.159) 10.613 7.333 ( 3.675 6.578 -2.940) 8.089 7.656 ( -9.390 6.696 -2.051) 11.714 7.916 ( 5.175 -12.690 -2.163) 13.875 8.157 ( -3.370 -8.433 2.702) 9.475 8.487 ( 4.054 -5.318 -0.745) 6.728 8.678 ( 6.551 -4.351 7.776) 11.059 9.490 ( -5.751 -4.819 -8.429) 11.285 9.744 ( -9.398 2.436 2.230) 9.961 10.309 ( 2.772 4.750 -2.151) 5.905 10.515 ( 7.764 -2.253 2.032) 8.335 10.641 ( 1.194 -4.664 2.265) 5.320 11.099 ( 1.763 -8.745 0.952) 8.971 11.324 ( -0.901 -4.020 -2.544) 4.843 11.372 ( -7.697 -12.489 3.133) 15.001 11.782 ( -1.628 -10.287 -4.836) 11.483 12.208 ( 0.361 3.643 2.355) 4.353 12.835 ( 0.444 -1.611 -0.614) 1.780 13.118 ( 8.680 -2.740 2.559) 9.455 13.340 ( -3.594 -20.833 -0.414) 21.145 13.527 ( -2.066 7.009 -2.451) 7.707 13.814 ( -2.843 6.889 1.316) 7.568 14.285 ( 2.442 10.201 -2.094) 10.696 14.760 ( -1.593 16.514 2.873) 16.837 15.748 ( -3.077 -14.884 -1.366) 15.260 15.950 ( -3.832 -10.379 -0.083) 11.064 17.182 ( 3.641 19.011 -1.710) 19.431 17.746 ( 9.102 22.003 -0.949) 23.830 18.502 ( 3.086 -13.257 3.613) 14.083 18.940 ( -7.458 -13.454 0.271) 15.385 20.507 ( 2.830 0.560 1.105) 3.089 21.080 ( -2.922 8.743 -2.302) 9.501 23.302 ( 0.414 1.551 0.177) 1.615 23.403 ( -0.400 0.607 0.255) 0.770 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -6.099 20.967 -1.307) 21.875 2.398 ( -1.580 21.459 -1.194) 21.550 2.826 ( 7.175 -10.065 0.939) 12.396 2.921 ( -4.529 -6.534 0.919) 8.003 3.084 ( 3.245 -5.038 0.816) 6.048 3.173 ( 3.185 0.240 -1.349) 3.467 3.194 ( -1.716 -6.546 -0.626) 6.796 3.457 ( 3.349 0.460 -1.358) 3.643 3.475 ( 1.007 4.658 -3.041) 5.653 3.520 ( -4.822 0.214 4.443) 6.560 3.741 ( -1.301 -2.902 1.883) 3.696 3.768 ( 1.744 2.744 -1.311) 3.506 4.107 ( 1.454 -0.375 0.971) 1.789 4.440 ( -0.796 2.536 -1.354) 2.983 4.629 ( 2.565 -3.455 -4.363) 6.128 4.655 ( -2.550 4.476 7.483) 9.084 4.728 ( -0.855 7.383 -2.701) 7.907 4.992 ( 2.322 -4.342 0.449) 4.944 5.177 ( -4.672 -0.503 0.196) 4.703 5.460 ( -2.025 5.369 0.420) 5.753 5.541 ( 0.813 -5.949 -0.317) 6.013 5.646 ( 0.289 -0.434 -0.405) 0.660 5.913 ( -0.545 1.697 -0.725) 1.924 6.224 ( 3.904 -8.265 -1.584) 9.277 6.547 ( -2.169 -1.760 3.764) 4.687 6.677 ( -0.060 9.145 -1.923) 9.345 7.119 ( 0.907 -7.678 7.676) 10.895 7.206 ( 1.391 8.008 -6.281) 10.273 7.456 ( -5.958 6.680 -2.000) 9.172 8.066 ( 0.829 -2.504 -2.108) 3.377 8.273 ( 1.291 -2.620 2.628) 3.929 8.556 ( 2.681 -0.625 -0.774) 2.859 8.775 ( 2.577 0.804 3.406) 4.346 9.560 ( -0.037 -6.486 -6.080) 8.890 9.632 ( -7.464 2.193 3.173) 8.401 10.245 ( 0.242 2.507 -1.427) 2.895 10.526 ( 3.066 5.433 0.908) 6.305 10.727 ( 2.331 -2.194 1.227) 3.428 11.130 ( -0.271 4.338 -1.614) 4.636 11.486 ( 2.913 -14.163 0.990) 14.493 11.585 ( -3.056 -13.860 1.749) 14.300 11.835 ( -1.574 1.029 -1.559) 2.442 12.079 ( -1.130 11.925 0.158) 11.980 12.770 ( -0.115 9.045 -0.697) 9.073 13.128 ( 2.172 6.106 1.189) 6.590 13.397 ( -2.590 2.507 -0.437) 3.631 13.761 ( 4.788 -9.416 -1.953) 10.743 13.814 ( -1.281 -17.212 3.163) 17.547 14.218 ( 0.616 -2.220 -3.143) 3.897 14.504 ( -1.320 8.764 1.989) 9.083 15.997 ( -0.270 -14.982 0.023) 14.985 16.132 ( -2.399 -12.235 0.046) 12.468 16.837 ( 1.241 20.732 -0.958) 20.791 17.260 ( -2.582 31.162 0.144) 31.269 18.604 ( 0.743 2.965 0.836) 3.169 19.317 ( 2.689 -24.916 -0.111) 25.061 20.542 ( 4.629 -0.919 -0.119) 4.721 20.944 ( -4.777 2.320 0.068) 5.311 23.284 ( 0.038 0.774 0.261) 0.818 23.400 ( -0.046 -0.438 -0.218) 0.492 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 24.575 0.000) 24.575 1.971 ( 0.000 25.648 0.000) 25.648 2.922 ( 0.000 0.061 0.000) 0.061 3.040 ( -0.000 -8.288 -0.000) 8.288 3.102 ( 0.000 3.898 0.000) 3.898 3.230 ( -0.000 -2.813 -0.000) 2.813 3.359 ( -0.000 -12.568 -0.000) 12.568 3.386 ( 0.000 6.415 0.000) 6.415 3.494 ( -0.000 -6.062 -0.000) 6.062 3.592 ( -0.000 -5.268 -0.000) 5.268 3.702 ( 0.000 6.907 0.000) 6.907 3.714 ( 0.000 2.116 0.000) 2.116 4.098 ( 0.000 2.141 0.000) 2.141 4.138 ( 0.000 24.585 0.000) 24.585 4.615 ( -0.000 -5.465 -0.000) 5.465 4.694 ( -0.000 -5.506 -0.000) 5.506 4.824 ( -0.000 -6.523 -0.000) 6.523 5.024 ( 0.000 2.306 0.000) 2.306 5.186 ( -0.000 -1.303 -0.000) 1.303 5.340 ( 0.000 5.667 0.000) 5.667 5.620 ( -0.000 -2.641 -0.000) 2.641 5.642 ( 0.000 1.332 0.000) 1.332 5.841 ( 0.000 5.596 0.000) 5.596 6.389 ( -0.000 -7.164 -0.000) 7.164 6.548 ( 0.000 3.110 0.000) 3.110 6.575 ( -0.000 -1.555 -0.000) 1.555 6.991 ( 0.000 12.795 0.000) 12.795 7.227 ( 0.000 1.045 0.000) 1.045 7.380 ( -0.000 -1.719 -0.000) 1.719 8.016 ( 0.000 8.676 0.000) 8.676 8.237 ( 0.000 7.547 0.000) 7.547 8.556 ( 0.000 1.633 0.000) 1.633 8.728 ( 0.000 4.041 0.000) 4.041 9.550 ( 0.000 2.335 0.000) 2.335 9.682 ( -0.000 -5.828 -0.000) 5.828 10.233 ( -0.000 -0.999 -0.000) 0.999 10.409 ( 0.000 8.411 0.000) 8.411 10.746 ( 0.000 1.589 0.000) 1.589 11.041 ( 0.000 4.419 0.000) 4.419 11.663 ( 0.000 7.710 0.000) 7.710 11.756 ( 0.000 3.800 0.000) 3.800 11.798 ( 0.000 0.489 0.000) 0.489 11.876 ( -0.000 -9.322 -0.000) 9.322 12.549 ( 0.000 13.534 0.000) 13.534 12.961 ( 0.000 12.381 0.000) 12.381 13.395 ( -0.000 -2.025 -0.000) 2.025 13.921 ( -0.000 -10.582 -0.000) 10.582 13.952 ( 0.000 6.049 0.000) 6.049 14.348 ( -0.000 -11.555 -0.000) 11.555 14.607 ( -0.000 -18.960 -0.000) 18.960 16.173 ( 0.000 3.402 0.000) 3.402 16.242 ( 0.000 4.787 0.000) 4.787 16.586 ( 0.000 0.277 0.000) 0.277 16.811 ( 0.000 10.021 0.000) 10.021 18.431 ( 0.000 16.314 0.000) 16.314 19.738 ( -0.000 -20.117 -0.000) 20.117 20.597 ( -0.000 -2.836 -0.000) 2.836 20.937 ( -0.000 -3.744 -0.000) 3.744 23.277 ( 0.000 0.042 0.000) 0.042 23.417 ( -0.000 -1.460 -0.000) 1.460 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 23.215 0.000 7.904) 24.524 1.406 ( 22.336 0.000 15.872) 27.401 2.475 ( 19.226 0.000 0.917) 19.248 2.742 ( -8.819 -0.000 -5.265) 10.271 3.116 ( 1.789 0.000 -9.194) 9.366 3.144 ( 5.201 0.000 -15.486) 16.337 3.284 ( 5.887 0.000 3.371) 6.783 3.402 ( -5.699 -0.000 7.268) 9.236 3.554 ( 5.795 0.000 3.542) 6.792 3.783 ( -14.619 -0.000 11.390) 18.532 3.809 ( -3.222 -0.000 -6.743) 7.473 3.911 ( 22.306 0.000 -4.100) 22.680 4.092 ( 4.108 0.000 10.777) 11.533 4.245 ( -5.173 -0.000 0.643) 5.213 4.364 ( -2.287 -0.000 -1.723) 2.864 4.454 ( -4.453 -0.000 -1.825) 4.813 4.678 ( 2.150 0.000 -4.337) 4.841 5.086 ( 1.604 0.000 2.078) 2.625 5.256 ( 5.503 0.000 2.127) 5.899 5.378 ( 2.624 0.000 -2.327) 3.507 5.596 ( 7.141 0.000 -11.573) 13.599 5.826 ( -3.812 -0.000 -10.771) 11.426 5.878 ( -6.142 -0.000 0.300) 6.149 5.936 ( 2.211 0.000 8.977) 9.246 6.075 ( -3.021 -0.000 4.259) 5.222 6.214 ( -21.547 -0.000 -0.499) 21.553 6.368 ( -14.076 -0.000 -1.171) 14.124 6.991 ( 5.135 0.000 2.519) 5.719 7.414 ( 2.513 0.000 -3.780) 4.539 7.725 ( 8.009 0.000 -7.199) 10.769 7.749 ( 14.442 0.000 6.352) 15.777 8.399 ( 0.408 0.000 11.802) 11.809 8.783 ( -13.158 -0.000 -0.078) 13.158 9.549 ( 0.763 0.000 -1.722) 1.884 9.744 ( -5.838 -0.000 -13.536) 14.742 9.863 ( -9.469 -0.000 -3.300) 10.028 10.311 ( 0.408 0.000 -1.143) 1.214 10.450 ( 2.611 0.000 1.234) 2.888 10.634 ( -8.413 -0.000 -3.283) 9.031 10.737 ( -0.237 -0.000 0.463) 0.521 10.826 ( -2.368 -0.000 1.516) 2.812 10.956 ( -2.094 -0.000 -0.965) 2.305 12.346 ( -4.545 -0.000 -4.154) 6.157 12.450 ( 2.982 0.000 -0.553) 3.033 12.674 ( 7.709 0.000 -1.587) 7.870 13.359 ( 5.835 0.000 2.054) 6.186 14.050 ( 1.778 0.000 3.243) 3.698 14.563 ( -4.730 -0.000 1.724) 5.034 14.845 ( 7.233 0.000 0.323) 7.240 15.139 ( -3.483 -0.000 0.178) 3.488 15.394 ( -7.456 -0.000 -4.924) 8.936 16.045 ( 3.484 0.000 2.887) 4.525 16.896 ( -3.646 -0.000 2.409) 4.370 16.958 ( -0.351 -0.000 -2.420) 2.446 18.085 ( 17.288 0.000 3.455) 17.630 19.863 ( -6.276 -0.000 14.172) 15.500 20.594 ( -6.908 -0.000 -2.189) 7.247 21.670 ( 6.298 0.000 -10.612) 12.340 23.386 ( 2.549 0.000 -1.210) 2.821 23.494 ( -2.598 -0.000 5.144) 5.762 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 20.055 -11.774 6.154) 24.056 1.686 ( 17.087 -15.697 13.735) 26.963 2.600 ( 4.857 -3.782 -3.192) 6.934 2.717 ( -10.652 -6.985 -3.622) 13.243 3.147 ( 2.858 -3.381 -11.656) 12.468 3.183 ( 6.870 -1.660 -8.935) 11.392 3.294 ( -3.873 1.312 3.231) 5.211 3.374 ( 4.230 2.248 1.007) 4.895 3.549 ( 1.823 4.628 3.567) 6.121 3.665 ( -12.144 2.448 7.978) 14.735 3.734 ( -1.272 4.914 -2.342) 5.590 4.108 ( 14.690 -2.191 -1.317) 14.911 4.159 ( -0.079 2.101 1.868) 2.812 4.258 ( 13.787 -1.140 5.700) 14.962 4.353 ( -0.370 -2.524 3.837) 4.608 4.424 ( -3.262 -1.901 -1.212) 3.965 4.699 ( -0.538 -2.132 -6.941) 7.281 5.079 ( 3.936 3.144 3.947) 6.399 5.356 ( -0.901 2.984 4.217) 5.244 5.375 ( 4.153 -5.822 1.269) 7.264 5.602 ( 6.284 1.138 -13.072) 14.548 5.792 ( -7.650 3.481 -0.362) 8.413 5.853 ( 0.004 -3.710 -6.167) 7.197 6.026 ( -10.288 -7.865 -5.938) 14.246 6.072 ( -9.197 -4.743 6.447) 12.192 6.165 ( -2.213 -9.881 0.481) 10.138 6.318 ( -12.604 -9.144 1.973) 15.696 7.082 ( 2.169 -6.317 2.437) 7.109 7.454 ( 2.103 -2.462 -2.717) 4.227 7.748 ( 6.053 1.225 -5.641) 8.364 7.946 ( 13.979 -6.394 5.875) 16.456 8.355 ( 0.970 8.445 7.536) 11.360 8.670 ( -9.975 1.265 0.501) 10.067 9.574 ( -7.312 2.973 -11.075) 13.600 9.681 ( -0.089 -8.195 -0.232) 8.199 9.821 ( -4.452 -3.889 1.640) 6.135 10.425 ( 4.644 -5.197 -2.607) 7.441 10.526 ( -4.462 -8.558 0.594) 9.670 10.586 ( -5.415 -3.618 -2.355) 6.925 10.747 ( -7.693 -4.309 -1.056) 8.880 10.813 ( 3.708 -3.588 4.707) 6.984 11.075 ( -2.746 -10.960 -3.106) 11.717 12.306 ( -3.088 -0.206 -2.480) 3.966 12.507 ( 2.829 -3.830 -0.859) 4.838 12.711 ( 5.481 1.898 -0.520) 5.823 13.376 ( 4.703 3.117 1.135) 5.755 14.009 ( 1.487 6.485 2.504) 7.109 14.440 ( -4.614 8.965 0.955) 10.128 14.898 ( 4.563 2.032 0.871) 5.071 15.164 ( -5.448 -4.470 -1.101) 7.133 15.263 ( -0.588 4.689 -2.408) 5.304 15.980 ( 2.436 8.724 0.848) 9.097 17.053 ( -1.700 -17.336 3.344) 17.737 17.103 ( -1.583 -15.823 -4.348) 16.486 18.181 ( 14.756 4.180 2.274) 15.504 19.715 ( -5.466 14.057 8.291) 17.211 20.538 ( -5.165 0.252 -0.447) 5.190 21.632 ( 4.092 6.590 -6.257) 9.966 23.391 ( 2.023 1.154 -1.359) 2.696 23.476 ( -1.977 1.064 3.986) 4.575 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 15.135 -11.334 8.943) 20.917 2.186 ( 9.773 -20.746 5.126) 23.498 2.685 ( -1.366 -6.049 -6.250) 8.805 2.796 ( -7.646 -10.523 -1.027) 13.048 3.085 ( -6.731 7.097 2.632) 10.130 3.229 ( 1.836 5.179 1.459) 5.685 3.311 ( 3.543 -4.471 -8.938) 10.603 3.391 ( 5.964 -4.034 -10.578) 12.796 3.471 ( -2.247 4.410 3.613) 6.128 3.582 ( -6.406 -1.008 4.274) 7.767 3.644 ( 4.158 5.444 1.308) 6.974 3.995 ( -7.852 7.780 -3.443) 11.578 4.221 ( 6.079 2.860 7.435) 10.020 4.303 ( 1.082 0.429 -0.374) 1.222 4.508 ( 1.757 -5.499 7.337) 9.336 4.566 ( 25.372 -2.579 -0.083) 25.503 4.714 ( -3.758 -5.542 -7.529) 10.075 5.063 ( 3.206 2.531 2.717) 4.906 5.302 ( -3.601 2.452 5.866) 7.307 5.437 ( -1.836 1.854 0.195) 2.616 5.598 ( -0.507 1.082 -8.661) 8.743 5.663 ( -6.715 0.350 -3.653) 7.652 5.845 ( -8.033 -1.477 -2.783) 8.629 5.990 ( 0.806 -0.119 1.982) 2.143 6.283 ( -2.570 -13.931 -0.774) 14.187 6.363 ( -0.785 -13.027 0.777) 13.074 6.561 ( -3.591 -23.638 -0.764) 23.921 7.267 ( 1.013 -12.959 2.306) 13.202 7.482 ( 1.628 1.171 -0.724) 2.132 7.768 ( 1.011 -2.003 -4.334) 4.881 8.128 ( -0.209 6.644 2.310) 7.038 8.234 ( 9.188 -3.227 2.078) 9.957 8.619 ( -1.974 -0.377 4.837) 5.238 9.432 ( -8.690 1.537 -9.055) 12.644 9.757 ( -4.178 -1.572 2.921) 5.334 10.043 ( 3.138 -18.365 1.294) 18.676 10.483 ( 8.141 1.611 0.639) 8.324 10.512 ( -6.797 -0.359 -2.660) 7.307 10.766 ( -1.245 -11.649 2.335) 11.945 10.860 ( -6.713 -14.219 -2.027) 15.854 11.027 ( 2.783 -15.309 8.000) 17.496 11.231 ( -4.602 -12.189 -9.787) 16.295 12.295 ( -0.448 0.136 0.735) 0.871 12.617 ( 2.141 -6.431 -1.230) 6.889 12.717 ( 0.347 -1.994 -0.552) 2.098 13.339 ( 3.790 4.866 0.638) 6.201 13.874 ( 1.410 10.236 1.186) 10.400 14.212 ( -4.371 12.484 0.721) 13.247 14.784 ( 2.835 13.137 0.105) 13.440 15.129 ( -5.215 1.680 0.008) 5.479 15.328 ( 0.863 -7.989 -0.482) 8.050 15.847 ( 0.807 6.309 -0.877) 6.421 17.350 ( -1.041 -13.583 -2.561) 13.861 17.461 ( 1.933 -25.196 1.007) 25.290 18.207 ( 11.232 3.600 0.852) 11.826 19.346 ( -6.292 23.321 4.628) 24.594 20.508 ( -2.355 -0.313 0.456) 2.419 21.485 ( 1.644 11.211 -3.332) 11.811 23.373 ( 1.136 2.032 -0.822) 2.469 23.447 ( -1.087 1.512 2.145) 2.841 ======================= Grid point 37 (26/172) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 10.018 -13.683 5.275) 17.760 2.530 ( -0.778 -13.192 1.000) 13.253 2.782 ( 4.054 -0.936 -4.492) 6.123 2.877 ( -8.366 2.422 2.736) 9.129 2.928 ( -2.645 -4.660 -0.696) 5.403 3.060 ( -0.732 10.944 -0.090) 10.969 3.335 ( 2.104 5.614 -2.323) 6.430 3.458 ( -1.179 -7.421 1.213) 7.612 3.525 ( 2.463 -5.975 -3.747) 7.471 3.573 ( 1.375 3.339 2.621) 4.462 3.662 ( 3.843 -4.025 -2.698) 6.185 3.780 ( -7.376 7.910 -1.378) 10.903 4.149 ( 3.400 6.646 2.716) 7.944 4.345 ( -0.267 -0.286 1.623) 1.670 4.544 ( -1.320 -2.279 0.448) 2.672 4.749 ( -4.277 -4.279 -1.453) 6.222 4.822 ( 21.645 1.917 2.597) 21.884 5.090 ( -0.412 -3.261 -0.852) 3.395 5.218 ( -1.104 6.867 -0.200) 6.958 5.330 ( -10.701 -0.807 2.630) 11.049 5.535 ( -3.561 -0.191 -4.895) 6.057 5.657 ( 0.154 0.385 -0.735) 0.844 5.850 ( -0.511 -3.377 -1.255) 3.639 6.021 ( 0.813 -2.241 1.337) 2.733 6.454 ( -0.625 -6.130 -0.338) 6.171 6.609 ( -1.265 -16.254 2.056) 16.433 6.886 ( 1.786 -8.568 -1.581) 8.894 7.444 ( 2.842 2.633 0.375) 3.892 7.546 ( -1.990 -13.348 -0.712) 13.514 7.830 ( 3.241 -4.078 0.220) 5.214 7.954 ( -7.484 0.600 -2.257) 7.840 8.431 ( 5.821 -6.224 1.569) 8.665 8.670 ( 3.092 -3.333 5.086) 6.822 9.357 ( -5.698 -2.081 -6.082) 8.590 9.729 ( -3.926 1.231 1.372) 4.337 10.374 ( 5.543 -7.355 -1.899) 9.404 10.447 ( -3.252 -4.351 2.726) 6.077 10.566 ( 3.318 -3.254 0.182) 4.651 10.954 ( 1.616 -9.916 2.076) 10.259 11.064 ( -4.648 -13.880 -0.485) 14.645 11.257 ( -1.481 -6.050 1.898) 6.512 11.476 ( -1.104 -20.303 -5.400) 21.038 12.272 ( 0.489 2.927 1.567) 3.356 12.750 ( 0.719 -6.846 -0.492) 6.901 12.870 ( -0.760 -17.573 -0.344) 17.593 13.278 ( 2.405 4.730 0.492) 5.329 13.688 ( 0.230 11.502 -0.520) 11.516 13.962 ( -2.644 11.809 0.726) 12.123 14.543 ( 2.060 15.547 -0.461) 15.690 14.996 ( -2.661 10.327 1.218) 10.734 15.499 ( -0.280 -11.208 -0.514) 11.223 15.807 ( -1.005 -2.578 -0.706) 2.855 17.432 ( 0.691 5.198 -1.171) 5.373 17.905 ( 4.582 -16.860 -0.465) 17.478 18.314 ( 6.463 -8.746 0.923) 10.914 18.884 ( -7.586 19.014 1.924) 20.562 20.513 ( 0.020 -1.008 0.539) 1.144 21.265 ( -0.276 13.103 -1.523) 13.194 23.339 ( 0.400 2.183 -0.141) 2.224 23.418 ( -0.385 1.302 0.576) 1.475 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 13.204 0.000) 13.204 2.641 ( -0.000 -2.709 -0.000) 2.709 2.709 ( -0.000 -10.089 -0.000) 10.089 2.782 ( 0.000 9.903 0.000) 9.903 2.983 ( -0.000 -7.784 -0.000) 7.784 3.073 ( -0.000 -6.515 -0.000) 6.515 3.239 ( 0.000 5.159 0.000) 5.159 3.510 ( 0.000 3.808 0.000) 3.808 3.564 ( 0.000 2.722 0.000) 2.722 3.579 ( 0.000 7.239 0.000) 7.239 3.622 ( -0.000 -8.590 -0.000) 8.590 3.776 ( -0.000 -3.148 -0.000) 3.148 4.098 ( 0.000 0.679 0.000) 0.679 4.377 ( -0.000 -5.388 -0.000) 5.388 4.588 ( -0.000 -1.806 -0.000) 1.806 4.688 ( 0.000 4.841 0.000) 4.841 4.945 ( -0.000 -3.106 -0.000) 3.106 4.991 ( 0.000 12.463 0.000) 12.463 5.134 ( -0.000 -0.210 -0.000) 0.210 5.410 ( -0.000 -8.523 -0.000) 8.523 5.511 ( 0.000 1.480 0.000) 1.480 5.641 ( 0.000 0.468 0.000) 0.468 5.908 ( -0.000 -2.249 -0.000) 2.249 6.099 ( -0.000 -6.303 -0.000) 6.303 6.513 ( -0.000 -1.966 -0.000) 1.966 6.856 ( 0.000 9.029 0.000) 9.029 6.895 ( -0.000 -15.480 -0.000) 15.480 7.378 ( 0.000 7.332 0.000) 7.332 7.554 ( 0.000 6.786 0.000) 6.786 7.958 ( -0.000 -8.611 -0.000) 8.611 8.120 ( -0.000 -14.758 -0.000) 14.758 8.532 ( -0.000 -3.162 -0.000) 3.162 8.764 ( -0.000 -3.669 -0.000) 3.669 9.408 ( -0.000 -7.077 -0.000) 7.077 9.671 ( 0.000 3.408 0.000) 3.408 10.317 ( 0.000 5.305 0.000) 5.305 10.602 ( 0.000 1.070 0.000) 1.070 10.649 ( -0.000 -8.515 -0.000) 8.515 11.133 ( -0.000 -6.458 -0.000) 6.458 11.294 ( -0.000 -15.517 -0.000) 15.517 11.315 ( -0.000 -4.398 -0.000) 4.398 11.756 ( -0.000 -10.632 -0.000) 10.632 12.215 ( 0.000 4.456 0.000) 4.456 12.837 ( -0.000 -1.625 -0.000) 1.625 13.215 ( 0.000 3.588 0.000) 3.588 13.301 ( -0.000 -29.147 -0.000) 29.147 13.493 ( 0.000 9.107 0.000) 9.107 13.796 ( 0.000 5.459 0.000) 5.459 14.304 ( 0.000 11.067 0.000) 11.067 14.750 ( 0.000 15.653 0.000) 15.653 15.721 ( -0.000 -14.491 -0.000) 14.491 15.917 ( -0.000 -9.990 -0.000) 9.990 17.206 ( 0.000 18.698 0.000) 18.698 17.818 ( 0.000 27.464 0.000) 27.464 18.536 ( -0.000 -9.898 -0.000) 9.898 18.884 ( -0.000 -21.300 -0.000) 21.300 20.538 ( -0.000 -1.327 -0.000) 1.327 21.045 ( 0.000 10.454 0.000) 10.454 23.306 ( 0.000 1.658 0.000) 1.658 23.401 ( 0.000 0.559 0.000) 0.559 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 19.123 0.000 6.355) 20.151 1.796 ( 17.597 0.000 12.318) 21.480 2.536 ( -12.794 -0.000 -4.928) 13.710 2.566 ( -3.215 -0.000 -4.190) 5.281 3.129 ( 6.397 0.000 -11.756) 13.384 3.216 ( 11.694 0.000 -14.224) 18.414 3.275 ( -6.371 -0.000 4.879) 8.025 3.427 ( 1.936 0.000 4.235) 4.656 3.583 ( -16.072 -0.000 10.854) 19.394 3.645 ( 4.063 0.000 2.804) 4.936 3.779 ( 2.105 0.000 -1.083) 2.367 4.091 ( -5.301 -0.000 -3.585) 6.399 4.190 ( 2.298 0.000 8.217) 8.532 4.270 ( -4.376 -0.000 -0.849) 4.458 4.398 ( -1.913 -0.000 -0.672) 2.028 4.503 ( 36.469 0.000 2.696) 36.569 4.687 ( 1.270 0.000 -3.904) 4.105 5.164 ( 5.182 0.000 3.941) 6.510 5.335 ( 3.340 0.000 1.257) 3.568 5.401 ( -2.154 -0.000 8.186) 8.465 5.630 ( 2.513 0.000 -16.385) 16.576 5.742 ( -1.789 -0.000 -5.685) 5.960 5.781 ( -5.482 -0.000 0.957) 5.565 5.793 ( -21.785 -0.000 -9.593) 23.804 5.997 ( -2.063 -0.000 5.043) 5.449 6.065 ( -0.380 -0.000 1.016) 1.085 6.162 ( -11.319 -0.000 4.720) 12.264 7.046 ( 1.126 0.000 1.469) 1.851 7.437 ( 2.109 0.000 -2.958) 3.633 7.813 ( 5.608 0.000 -3.979) 6.876 7.996 ( 11.999 0.000 5.103) 13.039 8.486 ( 3.132 0.000 9.940) 10.421 8.588 ( -10.396 -0.000 -0.891) 10.434 9.543 ( -7.765 -0.000 -12.860) 15.022 9.590 ( 4.538 0.000 -0.505) 4.566 9.764 ( -4.767 -0.000 1.616) 5.033 10.264 ( -5.426 -0.000 -0.636) 5.463 10.490 ( 2.023 0.000 -0.058) 2.024 10.503 ( -5.372 -0.000 -2.781) 6.049 10.704 ( -2.643 -0.000 0.843) 2.774 10.801 ( -1.840 -0.000 2.198) 2.867 10.958 ( 1.752 0.000 -0.815) 1.933 12.269 ( -2.681 -0.000 -2.820) 3.891 12.493 ( 2.374 0.000 -0.463) 2.419 12.792 ( 6.250 0.000 0.651) 6.283 13.436 ( 2.964 0.000 0.656) 3.036 14.080 ( 0.638 0.000 1.788) 1.898 14.492 ( -4.026 -0.000 0.034) 4.026 14.950 ( 5.428 0.000 0.627) 5.464 15.085 ( -3.145 -0.000 -0.232) 3.153 15.295 ( -2.708 -0.000 -3.465) 4.398 16.102 ( 2.013 0.000 1.967) 2.814 16.854 ( -2.415 -0.000 1.317) 2.751 16.944 ( -0.243 -0.000 -1.327) 1.350 18.328 ( 10.930 0.000 1.717) 11.064 19.824 ( -3.716 -0.000 4.668) 5.967 20.500 ( -4.087 -0.000 0.049) 4.087 21.708 ( 2.706 0.000 -4.130) 4.938 23.414 ( 1.622 0.000 -1.547) 2.241 23.479 ( -1.595 -0.000 3.522) 3.866 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 11.247 -14.694 2.542) 18.678 1.984 ( 10.463 -5.692 8.773) 14.793 2.528 ( -8.700 -9.819 -2.515) 13.358 2.553 ( -4.499 -4.301 -4.506) 7.683 3.147 ( 1.338 2.747 -4.239) 5.225 3.245 ( -0.539 -2.432 -0.626) 2.569 3.295 ( 9.697 -0.606 -6.448) 11.661 3.405 ( -2.358 2.605 -0.902) 3.628 3.503 ( -8.942 -0.581 7.559) 11.723 3.596 ( 1.071 6.697 1.421) 6.929 3.766 ( 4.163 4.010 1.348) 5.936 4.015 ( -7.404 2.656 -3.191) 8.489 4.225 ( 1.686 -1.681 0.730) 2.490 4.347 ( -0.257 -5.239 5.288) 7.449 4.376 ( -1.534 -3.557 0.164) 3.877 4.660 ( -0.329 3.110 -4.313) 5.328 4.821 ( 36.582 -0.970 2.797) 36.702 5.167 ( 3.530 4.130 2.396) 5.938 5.312 ( -10.153 2.450 6.198) 12.145 5.423 ( -8.308 -1.483 1.659) 8.601 5.539 ( -7.002 1.006 -4.020) 8.137 5.595 ( -3.918 0.552 -9.728) 10.502 5.775 ( -1.892 -2.184 -1.041) 3.071 5.934 ( 5.223 -13.616 -6.970) 16.163 6.072 ( -0.861 -4.034 3.193) 5.216 6.135 ( -7.872 -11.289 3.179) 14.125 6.161 ( -1.786 -10.980 1.040) 11.173 7.105 ( 0.211 -6.078 0.934) 6.153 7.472 ( 1.014 -2.367 -1.272) 2.872 7.803 ( 2.552 3.302 -2.078) 4.662 8.155 ( 8.078 -6.492 3.832) 11.049 8.364 ( -2.489 11.619 -0.630) 11.899 8.584 ( -1.963 -2.356 3.774) 4.863 9.413 ( -4.691 4.254 -6.217) 8.875 9.717 ( 0.878 -2.512 1.923) 3.283 9.778 ( -0.178 -11.352 -0.316) 11.358 10.385 ( -5.250 -13.616 -0.759) 14.613 10.475 ( -0.680 -3.285 -1.873) 3.842 10.573 ( 2.141 -6.346 0.310) 6.704 10.652 ( -3.717 0.301 0.178) 3.733 10.881 ( 1.782 -7.939 3.389) 8.814 11.026 ( -1.250 -6.182 -2.811) 6.905 12.260 ( -1.261 -1.462 -1.126) 2.235 12.540 ( 1.310 -3.642 -0.348) 3.886 12.785 ( 2.746 4.818 0.392) 5.560 13.430 ( 1.620 2.735 0.275) 3.190 14.031 ( 0.380 6.095 0.951) 6.181 14.382 ( -2.247 8.897 -0.004) 9.177 14.975 ( 4.561 4.140 0.829) 6.215 15.071 ( -5.254 -1.195 -1.030) 5.486 15.260 ( 0.572 -0.725 -0.953) 1.327 16.011 ( 0.947 9.624 0.445) 9.681 17.042 ( -0.976 -19.992 1.792) 20.096 17.073 ( -0.354 -13.876 -1.995) 14.023 18.360 ( 5.924 4.185 0.740) 7.291 19.674 ( -2.165 14.819 2.075) 15.120 20.481 ( -1.887 -0.572 0.210) 1.983 21.655 ( 1.189 6.855 -1.820) 7.191 23.409 ( 0.777 1.294 -0.855) 1.735 23.467 ( -0.757 1.002 1.753) 2.156 ======================= Grid point 47 (30/172) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.000 -10.399 -0.000) 10.399 2.276 ( -0.000 -15.980 -0.000) 15.980 2.648 ( -0.000 -9.272 -0.000) 9.272 2.702 ( -0.000 -12.326 -0.000) 12.326 3.032 ( 0.000 8.683 0.000) 8.683 3.253 ( 0.000 9.146 0.000) 9.146 3.331 ( -0.000 -5.896 -0.000) 5.896 3.415 ( -0.000 -5.267 -0.000) 5.267 3.447 ( 0.000 5.032 0.000) 5.032 3.538 ( -0.000 -1.778 -0.000) 1.778 3.719 ( 0.000 3.761 0.000) 3.761 3.883 ( 0.000 7.431 0.000) 7.431 4.284 ( 0.000 6.131 0.000) 6.131 4.313 ( -0.000 -5.736 -0.000) 5.736 4.557 ( 0.000 5.588 0.000) 5.588 4.583 ( -0.000 -11.515 -0.000) 11.515 5.059 ( 0.000 7.817 0.000) 7.817 5.063 ( -0.000 -0.777 -0.000) 0.777 5.200 ( -0.000 -1.810 -0.000) 1.810 5.328 ( 0.000 4.749 0.000) 4.749 5.503 ( 0.000 0.101 0.000) 0.101 5.631 ( -0.000 -3.509 -0.000) 3.509 5.802 ( -0.000 -1.818 -0.000) 1.818 6.025 ( 0.000 1.757 0.000) 1.757 6.245 ( -0.000 -16.175 -0.000) 16.175 6.363 ( -0.000 -12.037 -0.000) 12.037 6.529 ( -0.000 -27.613 -0.000) 27.613 7.280 ( -0.000 -13.585 -0.000) 13.585 7.494 ( 0.000 0.857 0.000) 0.857 7.766 ( 0.000 0.155 0.000) 0.155 8.111 ( 0.000 13.642 0.000) 13.642 8.336 ( -0.000 -7.908 -0.000) 7.908 8.627 ( -0.000 -2.980 -0.000) 2.980 9.326 ( 0.000 2.069 0.000) 2.069 9.726 ( -0.000 -0.143 -0.000) 0.143 10.084 ( -0.000 -19.634 -0.000) 19.634 10.442 ( -0.000 -0.736 -0.000) 0.736 10.561 ( 0.000 0.591 0.000) 0.591 10.768 ( -0.000 -11.528 -0.000) 11.528 10.777 ( -0.000 -17.462 -0.000) 17.462 11.111 ( -0.000 -16.783 -0.000) 16.783 11.132 ( -0.000 -7.620 -0.000) 7.620 12.290 ( -0.000 -1.633 -0.000) 1.633 12.634 ( -0.000 -6.302 -0.000) 6.302 12.721 ( 0.000 0.727 0.000) 0.727 13.372 ( 0.000 4.464 0.000) 4.464 13.888 ( 0.000 10.226 0.000) 10.226 14.174 ( 0.000 12.778 0.000) 12.778 14.817 ( 0.000 13.826 0.000) 13.826 15.071 ( 0.000 0.300 0.000) 0.300 15.340 ( -0.000 -7.042 -0.000) 7.042 15.852 ( 0.000 7.346 0.000) 7.346 17.336 ( -0.000 -13.827 -0.000) 13.827 17.477 ( -0.000 -27.553 -0.000) 27.553 18.304 ( 0.000 3.403 0.000) 3.403 19.304 ( 0.000 25.404 0.000) 25.404 20.491 ( -0.000 -1.195 -0.000) 1.195 21.489 ( 0.000 11.793 0.000) 11.793 23.380 ( 0.000 2.120 0.000) 2.120 23.443 ( 0.000 1.490 0.000) 1.490 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.000 -0.000 -0.000) 0.000 1.999 ( -0.000 -0.000 -0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 -0.000) 0.000 3.413 ( -0.000 -0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 -0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 -0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 -0.000) 0.000 5.053 ( -0.000 -0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 -0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 -0.000) 0.000 5.733 ( -0.000 -0.000 0.000) 0.000 5.970 ( 0.000 0.000 -0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 -0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 15.011 ( -0.000 -0.000 0.000) 0.000 15.044 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 16.123 ( 0.000 0.000 0.000) 0.000 16.837 ( 0.000 0.000 -0.000) 0.000 16.939 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 20.468 ( 0.000 0.000 -0.000) 0.000 21.720 ( 0.000 0.000 0.000) 0.000 23.423 ( 0.000 0.000 0.000) 0.000 23.475 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/172) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 9.910 0.000 26.460) 28.255 0.572 ( 0.345 0.000 28.505) 28.507 1.091 ( 0.798 0.000 53.874) 53.880 2.751 ( -2.323 -0.000 -14.008) 14.199 2.765 ( 3.272 0.000 -12.265) 12.694 3.275 ( -4.778 -0.000 -2.618) 5.449 3.300 ( 1.916 0.000 -1.688) 2.554 3.413 ( -6.856 -0.000 3.022) 7.492 3.539 ( -0.508 -0.000 -1.484) 1.569 3.817 ( 7.580 0.000 -2.096) 7.864 4.003 ( 1.199 0.000 3.033) 3.262 4.057 ( -5.805 -0.000 -8.140) 9.998 4.146 ( 4.943 0.000 -2.518) 5.547 4.147 ( 2.752 0.000 10.048) 10.418 4.596 ( -0.776 -0.000 -13.925) 13.947 4.713 ( -3.428 -0.000 3.452) 4.865 4.779 ( -7.568 -0.000 -1.373) 7.692 4.930 ( 7.897 0.000 3.210) 8.525 5.144 ( -4.332 -0.000 1.124) 4.476 5.257 ( -10.521 -0.000 -7.029) 12.653 5.680 ( 1.202 0.000 5.761) 5.885 5.772 ( 0.138 0.000 -15.449) 15.449 5.903 ( -7.997 -0.000 2.082) 8.264 5.917 ( -0.660 -0.000 -8.875) 8.900 6.256 ( 15.403 0.000 12.566) 19.878 6.574 ( 6.099 0.000 10.775) 12.382 6.755 ( 2.749 0.000 -8.027) 8.484 6.760 ( -9.584 -0.000 16.669) 19.228 7.343 ( -1.615 -0.000 -0.205) 1.628 7.393 ( 1.731 0.000 6.184) 6.422 7.664 ( -21.307 -0.000 -1.375) 21.351 8.513 ( -1.379 -0.000 3.025) 3.325 9.130 ( 3.583 0.000 -9.277) 9.944 9.393 ( -9.317 -0.000 3.668) 10.013 9.570 ( -0.430 -0.000 -5.849) 5.865 9.906 ( 2.904 0.000 -0.747) 2.998 10.156 ( -0.764 -0.000 -5.060) 5.117 10.398 ( 2.849 0.000 3.392) 4.429 10.509 ( 3.328 0.000 -4.122) 5.298 10.603 ( -2.126 -0.000 -0.251) 2.141 10.968 ( -1.754 -0.000 -8.677) 8.852 11.067 ( 0.373 0.000 0.047) 0.376 11.877 ( 23.604 0.000 5.588) 24.257 12.445 ( -0.962 -0.000 3.521) 3.650 12.531 ( 4.117 0.000 -2.497) 4.816 13.110 ( 4.727 0.000 5.052) 6.918 13.892 ( 0.205 0.000 -0.772) 0.799 14.601 ( -0.139 -0.000 -0.027) 0.142 15.004 ( -7.250 -0.000 3.277) 7.956 15.246 ( 0.141 0.000 0.301) 0.332 15.893 ( -1.262 -0.000 1.807) 2.204 16.244 ( 10.039 0.000 -2.383) 10.318 16.935 ( 1.099 0.000 -2.629) 2.849 17.045 ( -1.025 -0.000 2.389) 2.600 17.239 ( 4.691 0.000 -9.821) 10.884 17.934 ( 63.833 0.000 8.312) 64.372 20.934 ( 2.109 0.000 0.843) 2.271 21.678 ( -19.932 -0.000 -3.790) 20.289 23.329 ( -0.708 -0.000 2.472) 2.571 24.767 ( -23.234 -0.000 0.478) 23.239 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 21.864 -12.975 20.174) 32.456 0.950 ( 8.730 -21.135 21.507) 31.392 1.591 ( 8.935 -34.500 34.337) 49.489 2.753 ( -0.049 -4.216 -12.852) 13.526 2.808 ( 8.596 -3.337 -11.771) 14.952 3.226 ( -3.528 -1.168 -3.156) 4.876 3.305 ( -0.611 0.131 -0.836) 1.043 3.375 ( -6.141 -0.940 2.109) 6.561 3.502 ( -2.371 1.682 -2.569) 3.879 3.863 ( -4.704 3.170 -4.462) 7.217 3.940 ( -2.753 5.847 -5.186) 8.286 3.978 ( 1.530 2.390 5.258) 5.975 4.117 ( 0.647 5.887 1.536) 6.118 4.203 ( 5.739 -0.286 11.581) 12.928 4.506 ( -3.092 0.813 -3.179) 4.509 4.673 ( -1.286 2.037 -8.903) 9.223 4.749 ( -5.573 -5.168 -1.381) 7.725 4.967 ( 3.085 -0.272 -2.420) 3.930 5.116 ( -2.338 0.067 0.192) 2.346 5.166 ( -5.033 -4.736 -6.074) 9.201 5.605 ( -1.040 4.061 4.140) 5.891 5.762 ( 2.581 0.724 -2.788) 3.868 5.893 ( 0.428 0.586 7.116) 7.153 6.025 ( -0.322 -10.091 -6.963) 12.265 6.347 ( 10.180 1.974 -4.470) 11.292 6.663 ( -2.194 2.680 2.110) 4.056 6.764 ( -6.828 -3.931 9.487) 12.332 6.799 ( 1.730 -9.792 6.170) 11.703 7.448 ( 5.340 -5.318 4.142) 8.600 7.470 ( -4.927 -8.979 -0.714) 10.267 7.556 ( -3.129 -3.159 5.267) 6.893 8.483 ( -3.422 2.171 2.707) 4.873 9.065 ( -0.214 6.241 -0.497) 6.264 9.474 ( 10.505 -0.489 -0.981) 10.562 9.687 ( 1.307 -4.717 -10.343) 11.443 9.938 ( -2.047 -1.440 -1.786) 3.075 10.300 ( -4.364 -4.002 -8.773) 10.584 10.507 ( 4.862 -6.291 2.740) 8.410 10.643 ( -2.121 -7.159 0.928) 7.524 10.923 ( -4.521 -1.524 -9.337) 10.485 10.934 ( 3.463 -36.344 -13.880) 39.058 11.146 ( -0.317 -8.452 0.565) 8.477 12.236 ( 11.165 -15.760 -14.065) 23.892 12.481 ( -2.004 -3.751 2.705) 5.040 12.517 ( -2.383 -0.017 -1.142) 2.642 13.110 ( 8.857 5.399 0.098) 10.374 13.856 ( 1.910 5.039 -0.573) 5.420 14.664 ( 1.091 -3.062 2.145) 3.894 14.831 ( -10.612 9.217 6.719) 15.580 15.257 ( 4.012 3.220 -0.119) 5.145 15.639 ( -6.824 18.951 15.594) 25.473 15.867 ( 1.455 4.694 1.882) 5.263 17.052 ( 2.466 -2.437 0.430) 3.494 17.151 ( -1.052 -3.683 -8.232) 9.079 17.486 ( 2.895 -8.858 -6.661) 11.455 18.970 ( 55.424 -35.341 -49.596) 82.345 20.903 ( -0.507 4.671 1.063) 4.817 21.428 ( -15.596 8.970 6.955) 19.289 23.329 ( 0.046 0.311 2.572) 2.591 24.202 ( -23.654 24.257 28.721) 44.416 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 17.748 -18.042 15.753) 29.811 1.441 ( 15.628 -18.695 15.694) 28.984 2.330 ( 3.547 -31.469 5.807) 32.197 2.859 ( 3.380 -9.002 -4.414) 10.581 2.976 ( 13.466 -8.844 -4.418) 16.706 3.249 ( -5.150 -3.971 -2.147) 6.849 3.295 ( 1.332 -1.167 -5.458) 5.738 3.329 ( -3.462 3.837 0.123) 5.170 3.452 ( -4.252 -2.242 -2.403) 5.375 3.711 ( -5.541 6.077 -3.231) 8.836 3.778 ( -3.074 8.729 2.054) 9.480 3.933 ( 4.224 5.861 4.765) 8.655 3.979 ( -4.669 7.937 2.736) 9.607 4.223 ( 1.493 5.713 10.322) 11.892 4.533 ( -5.286 -3.058 -7.189) 9.433 4.647 ( 0.005 -5.675 -4.236) 7.082 4.810 ( 2.423 -3.776 -3.817) 5.891 5.017 ( 2.648 -5.128 -10.035) 11.576 5.093 ( -4.713 -0.873 0.848) 4.868 5.240 ( 4.073 -2.180 -1.955) 5.016 5.562 ( -0.689 0.453 1.567) 1.771 5.716 ( 2.085 7.781 4.028) 9.007 5.919 ( 0.571 -1.463 7.892) 8.047 6.201 ( 0.705 -11.347 -9.451) 14.784 6.399 ( 5.550 -3.511 -7.606) 10.049 6.578 ( -1.119 4.775 -6.960) 8.514 6.773 ( -10.352 -4.080 15.312) 18.928 7.085 ( 6.294 -14.051 5.533) 16.360 7.458 ( -4.750 -0.119 1.348) 4.939 7.693 ( 0.504 -13.511 0.037) 13.520 7.738 ( 3.944 -12.710 6.381) 14.759 8.410 ( -6.022 1.767 1.604) 6.477 8.932 ( -4.634 6.905 6.904) 10.808 9.543 ( 8.770 0.578 -3.022) 9.294 9.770 ( 7.496 -2.559 -8.401) 11.546 9.960 ( -4.407 -6.134 -4.516) 8.800 10.292 ( -2.563 -1.147 -2.897) 4.034 10.639 ( 4.627 -3.418 1.601) 5.972 10.785 ( -1.337 -5.250 -4.436) 7.002 10.967 ( -5.535 -15.563 -2.525) 16.709 11.297 ( -5.427 -14.247 1.070) 15.283 11.456 ( -2.045 -19.991 -5.673) 20.881 12.321 ( -0.223 4.790 1.328) 4.976 12.559 ( 3.671 -4.732 -4.586) 7.543 12.607 ( -2.619 -9.056 2.838) 9.845 13.122 ( 6.476 -2.582 -9.578) 11.847 13.749 ( 1.403 8.021 -0.649) 8.169 14.470 ( -5.567 15.299 9.754) 18.978 14.835 ( 0.551 -0.878 2.822) 3.006 15.094 ( -1.027 10.891 -0.058) 10.939 15.625 ( -6.597 -13.274 4.404) 15.463 15.791 ( -0.927 3.368 -0.981) 3.629 17.046 ( 12.509 5.919 -2.143) 14.004 17.210 ( 8.801 5.155 -1.380) 10.292 17.674 ( 0.873 -16.474 -3.697) 16.906 19.510 ( 12.913 -11.109 -38.748) 42.327 20.772 ( -5.005 7.364 1.093) 8.971 21.212 ( -1.478 9.415 5.305) 10.908 23.330 ( 0.388 0.529 2.915) 2.988 23.823 ( -11.578 11.986 22.740) 28.193 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 11.206 -19.978 12.402) 26.048 1.921 ( 19.788 -16.512 9.037) 27.311 2.691 ( -0.092 -12.430 -7.305) 14.418 3.038 ( 4.990 -5.626 -4.960) 9.009 3.125 ( 0.297 8.686 -5.486) 10.278 3.187 ( -6.491 0.622 0.820) 6.572 3.233 ( -0.981 -1.042 -7.986) 8.113 3.372 ( -2.130 -6.600 -8.509) 10.977 3.561 ( -0.405 7.000 -1.484) 7.167 3.598 ( -2.957 9.964 6.894) 12.472 3.664 ( 3.651 -15.298 11.234) 19.328 3.811 ( -0.613 6.560 1.961) 6.874 3.954 ( 3.159 -6.856 3.909) 8.501 4.113 ( -2.909 5.531 9.142) 11.074 4.455 ( -3.158 2.975 -5.714) 7.174 4.813 ( 2.864 -5.543 -5.010) 8.002 4.896 ( 2.878 -6.335 -2.257) 7.315 5.067 ( -9.076 -2.952 3.997) 10.347 5.155 ( 7.224 -7.623 -9.015) 13.841 5.266 ( 5.783 3.291 0.299) 6.661 5.532 ( -6.460 6.922 2.452) 9.781 5.601 ( 4.035 1.446 -0.230) 4.292 5.983 ( 1.039 -2.693 6.272) 6.904 6.307 ( -3.184 0.971 -8.890) 9.493 6.466 ( 3.307 -1.185 -6.764) 7.622 6.551 ( 2.676 -6.587 -3.796) 8.060 6.823 ( -3.107 -4.273 11.218) 12.400 7.358 ( 3.791 -6.574 3.923) 8.543 7.431 ( -1.727 -3.839 0.458) 4.234 7.898 ( -3.272 -10.011 -1.594) 10.652 8.035 ( 5.400 -13.243 7.188) 16.006 8.363 ( -7.919 -3.959 0.185) 8.856 8.798 ( -6.223 5.149 9.932) 12.801 9.585 ( 3.615 -0.362 -4.162) 5.525 9.843 ( 10.309 0.033 -2.293) 10.561 10.050 ( -2.074 -6.717 -9.572) 11.876 10.311 ( -1.524 -3.351 1.798) 4.096 10.677 ( -2.412 0.427 -2.498) 3.498 10.847 ( 3.787 -5.564 -5.381) 8.617 11.296 ( -3.837 -21.120 2.208) 21.579 11.482 ( -7.646 -7.587 -0.043) 10.772 11.627 ( -5.094 -10.360 -7.093) 13.549 12.260 ( 1.949 4.402 9.000) 10.207 12.635 ( 10.227 -0.241 0.399) 10.238 12.775 ( -2.647 -11.566 4.350) 12.638 13.266 ( -1.795 -13.276 -11.068) 17.377 13.610 ( 0.066 7.484 -1.980) 7.742 14.205 ( -2.650 13.271 7.037) 15.253 14.632 ( -7.987 16.517 3.602) 18.697 14.982 ( 4.149 9.528 0.780) 10.421 15.777 ( -8.621 -8.480 -3.004) 12.460 15.879 ( -3.335 -16.992 0.696) 17.330 17.086 ( 19.677 4.767 -1.208) 20.282 17.090 ( 15.458 15.973 -2.160) 22.333 18.039 ( -0.340 -22.938 -0.439) 22.944 19.523 ( -8.171 1.445 -20.863) 22.452 20.601 ( -4.400 7.269 0.143) 8.499 21.078 ( 5.446 8.444 -1.878) 10.222 23.331 ( 0.290 0.515 3.622) 3.670 23.637 ( -6.693 6.649 14.532) 17.326 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 7.017 -18.168 7.038) 20.709 2.366 ( 19.113 -14.342 4.718) 24.356 2.816 ( -3.645 -1.870 -5.475) 6.838 2.851 ( -2.355 11.989 -3.293) 12.654 2.987 ( -6.267 9.269 -2.858) 11.548 3.234 ( -2.906 -2.217 -5.126) 6.296 3.243 ( 3.438 -5.558 -4.109) 7.720 3.355 ( -6.607 5.092 0.044) 8.341 3.440 ( -0.032 3.697 0.785) 3.780 3.509 ( 2.744 -0.008 -4.045) 4.888 3.693 ( -0.204 2.745 -1.927) 3.360 3.832 ( 0.825 0.184 6.994) 7.045 3.997 ( -1.606 -0.606 0.369) 1.756 4.381 ( 2.494 -7.552 2.844) 8.446 4.421 ( 5.542 -12.801 5.253) 14.905 4.788 ( -2.519 3.334 2.935) 5.106 5.026 ( -3.802 -0.825 5.384) 6.643 5.108 ( 0.918 -2.597 3.217) 4.235 5.231 ( -1.720 0.635 -5.384) 5.688 5.274 ( 5.455 1.407 1.603) 5.858 5.424 ( 0.603 -5.168 -6.625) 8.424 5.634 ( 3.210 -0.878 -1.480) 3.642 6.033 ( 0.107 -0.319 2.554) 2.576 6.137 ( -8.215 7.239 -5.370) 12.195 6.526 ( 6.746 0.042 -4.402) 8.056 6.661 ( 0.665 -4.092 -1.915) 4.566 6.932 ( 2.798 -5.505 6.859) 9.230 7.335 ( -6.216 0.940 2.693) 6.839 7.618 ( 8.980 -5.920 -2.041) 10.948 7.957 ( -8.383 -3.117 -3.145) 9.481 8.228 ( 1.973 -3.179 8.861) 9.618 8.477 ( -3.206 -11.527 -1.683) 12.082 8.712 ( -2.974 2.467 12.857) 13.425 9.588 ( -3.458 -1.498 -5.322) 6.521 9.938 ( 15.167 0.637 -1.763) 15.282 10.080 ( -5.033 -1.882 -4.221) 6.833 10.357 ( -3.427 -2.390 -3.014) 5.152 10.645 ( 0.467 0.112 -0.678) 0.831 11.000 ( 5.779 -7.640 -4.489) 10.579 11.340 ( -7.566 6.262 -11.589) 15.191 11.611 ( -5.331 -14.259 4.004) 15.741 11.843 ( -1.604 -12.403 2.640) 12.782 12.195 ( 5.668 7.472 5.391) 10.817 12.756 ( 6.163 -3.766 2.344) 7.594 12.976 ( -1.111 -10.954 5.101) 12.135 13.439 ( 1.139 -3.817 -1.938) 4.430 13.540 ( -6.432 -7.752 -5.994) 11.722 13.991 ( -2.233 10.742 5.219) 12.150 14.287 ( -6.665 13.444 -0.153) 15.006 14.764 ( 4.036 17.289 2.428) 17.920 15.894 ( -6.287 -10.907 -2.714) 12.878 16.138 ( -6.882 -14.993 1.162) 16.538 16.885 ( 12.222 16.123 -2.230) 20.354 17.218 ( 19.985 0.673 -3.484) 20.298 18.408 ( 1.556 -16.803 1.411) 16.934 19.311 ( -13.059 6.821 -9.399) 17.476 20.462 ( -1.362 5.506 -1.283) 5.815 20.998 ( 4.972 3.916 -6.207) 8.864 23.334 ( -0.172 0.170 4.711) 4.717 23.532 ( -4.281 3.527 9.439) 10.948 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -4.623 14.017 -4.024) 15.298 2.609 ( -4.108 5.524 -1.351) 7.015 2.697 ( -5.993 0.922 3.313) 6.909 2.746 ( 13.328 -11.011 1.194) 17.329 2.890 ( 2.887 -1.063 -7.021) 7.665 3.199 ( -1.997 2.104 5.307) 6.048 3.268 ( -6.255 -2.428 -5.050) 8.398 3.329 ( 3.062 -1.891 -0.595) 3.648 3.410 ( 0.995 0.206 -1.898) 2.153 3.573 ( 1.624 -4.794 -2.839) 5.803 3.648 ( 1.772 1.633 -2.041) 3.158 3.830 ( 0.578 2.485 4.010) 4.753 4.060 ( 1.867 -5.223 -1.156) 5.666 4.403 ( 0.736 -1.299 -6.652) 6.817 4.580 ( 0.529 5.674 5.725) 8.077 4.821 ( -6.359 4.352 7.841) 10.993 4.977 ( -0.575 -4.012 6.399) 7.575 4.994 ( -4.520 3.533 13.457) 14.629 5.272 ( -1.014 -1.524 -5.265) 5.574 5.376 ( 4.809 -6.751 -4.392) 9.380 5.532 ( 1.105 -4.648 -0.537) 4.808 5.682 ( 3.225 -0.888 -1.488) 3.661 5.937 ( -7.291 3.711 -5.406) 9.806 6.020 ( 2.390 3.581 -1.742) 4.644 6.542 ( 5.213 2.015 -3.840) 6.781 6.713 ( -1.844 -2.446 -0.271) 3.075 7.037 ( 4.868 0.099 5.458) 7.315 7.312 ( -5.453 -3.947 4.270) 7.972 7.675 ( -2.567 2.549 -6.064) 7.061 7.926 ( -0.553 0.371 -2.551) 2.636 8.274 ( 0.850 1.047 7.830) 7.945 8.533 ( -3.132 1.350 -0.488) 3.445 8.760 ( 4.709 -1.036 14.304) 15.095 9.570 ( -4.994 -2.035 -6.652) 8.564 10.017 ( -7.498 0.642 -0.926) 7.582 10.044 ( 10.021 0.366 -1.205) 10.100 10.325 ( 0.025 1.791 -8.188) 8.382 10.674 ( 2.694 -0.405 3.397) 4.354 11.033 ( -2.311 6.866 -12.462) 14.415 11.292 ( 6.311 -8.161 -7.456) 12.728 11.726 ( 0.940 2.398 6.651) 7.132 11.961 ( -3.907 -5.094 4.062) 7.597 12.147 ( -0.252 3.278 1.827) 3.761 12.798 ( -1.936 1.989 1.299) 3.065 13.105 ( 0.886 0.333 5.366) 5.449 13.483 ( -0.250 -3.091 -0.777) 3.197 13.623 ( 0.560 0.228 -0.866) 1.056 13.831 ( -0.169 2.301 3.250) 3.986 14.184 ( -2.748 -5.345 -3.059) 6.744 14.556 ( 1.867 5.312 1.934) 5.953 16.014 ( 0.014 -5.206 0.729) 5.256 16.216 ( 0.606 4.885 -1.098) 5.044 16.796 ( -2.292 -3.884 -0.681) 4.560 17.293 ( 1.910 0.969 -5.768) 6.153 18.584 ( 2.114 1.583 1.463) 3.019 19.138 ( 0.815 1.886 -5.758) 6.113 20.388 ( 0.573 1.747 -2.491) 3.096 21.009 ( 1.788 -3.950 -6.167) 7.539 23.341 ( -1.169 -0.144 5.445) 5.571 23.488 ( -2.398 0.608 7.464) 7.863 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -7.180 21.516 -0.810) 22.697 2.227 ( -18.343 18.090 0.787) 25.775 2.770 ( 1.602 -2.392 -5.508) 6.215 2.931 ( 4.179 -2.165 -6.237) 7.814 3.002 ( 8.368 -5.285 -0.486) 9.909 3.217 ( -3.842 -1.009 3.528) 5.312 3.272 ( 0.812 -4.356 -4.173) 6.087 3.402 ( 3.428 -4.570 0.841) 5.775 3.451 ( 2.488 -3.738 -1.852) 4.857 3.570 ( 2.716 2.665 -3.309) 5.042 3.712 ( 1.986 3.609 -0.421) 4.140 3.782 ( -4.281 -3.538 6.368) 8.450 4.139 ( -1.100 -0.858 1.258) 1.878 4.266 ( -4.044 15.456 6.699) 17.324 4.546 ( 0.801 -4.526 -8.095) 9.309 4.717 ( -1.149 -0.105 3.604) 3.784 4.840 ( -1.956 6.640 7.785) 10.417 5.120 ( -3.529 1.160 3.186) 4.894 5.256 ( -2.758 -0.070 -0.960) 2.921 5.461 ( 1.381 -2.129 1.813) 3.119 5.628 ( -0.257 2.650 0.024) 2.662 5.649 ( -3.473 -5.567 3.464) 7.420 5.833 ( -1.731 5.155 -4.991) 7.380 6.066 ( 7.794 -6.117 -6.927) 12.089 6.524 ( 1.020 2.090 -4.221) 4.819 6.689 ( 0.023 4.509 -2.668) 5.240 7.054 ( -0.959 0.415 9.624) 9.681 7.390 ( -1.526 -5.289 4.618) 7.185 7.509 ( -10.013 7.358 -3.070) 12.799 7.887 ( 5.564 6.858 -4.800) 10.052 8.223 ( 0.165 7.793 3.530) 8.557 8.456 ( 2.705 5.944 3.120) 7.237 8.814 ( 2.353 1.356 13.714) 13.980 9.556 ( -3.124 -2.082 -7.330) 8.236 9.892 ( -11.951 2.903 -0.989) 12.338 10.140 ( 7.408 -2.205 -1.178) 7.818 10.272 ( 5.491 4.645 -6.029) 9.385 10.683 ( -0.245 2.378 1.754) 2.965 10.869 ( 2.631 5.196 -15.416) 16.479 11.483 ( 9.317 -3.265 -4.580) 10.883 11.601 ( 6.780 14.074 5.779) 16.656 11.951 ( -7.528 4.705 1.381) 8.984 12.099 ( -3.374 -1.487 5.718) 6.803 12.684 ( -8.282 4.778 0.013) 9.562 12.997 ( -0.093 10.644 5.262) 11.874 13.421 ( -0.044 8.158 -2.594) 8.561 13.645 ( 5.128 -1.665 -1.373) 5.564 13.991 ( 8.920 -10.267 3.373) 14.013 14.263 ( -2.919 -8.254 -0.042) 8.755 14.704 ( -1.233 -17.339 0.729) 17.398 15.980 ( 8.268 16.498 -0.732) 18.469 16.106 ( 4.549 4.442 1.173) 6.465 16.924 ( -13.916 -15.458 -1.470) 20.851 17.200 ( -19.519 -1.955 -3.917) 20.004 18.406 ( 1.756 17.742 2.207) 17.964 19.215 ( 19.696 0.317 -13.427) 23.839 20.411 ( 1.797 -4.064 -2.189) 4.953 21.129 ( -2.078 -10.496 -3.201) 11.168 23.342 ( -2.284 -0.177 4.526) 5.073 23.511 ( -0.948 -2.592 9.698) 10.083 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -9.238 22.734 2.983) 24.720 1.735 ( -20.572 20.354 4.620) 29.306 2.784 ( 1.834 1.175 -10.718) 10.937 2.947 ( -0.061 10.005 2.713) 10.367 3.029 ( 0.065 4.433 -4.834) 6.559 3.159 ( -0.658 1.792 0.521) 1.978 3.333 ( 5.275 2.039 -5.716) 8.041 3.486 ( -0.866 3.012 4.618) 5.581 3.553 ( 3.222 -6.746 -1.442) 7.614 3.579 ( 3.772 -4.876 -3.215) 6.953 3.628 ( -1.782 -1.273 -0.465) 2.239 3.814 ( -3.774 -0.976 6.133) 7.267 4.059 ( -1.484 -0.610 6.415) 6.613 4.131 ( -6.213 2.303 7.663) 10.131 4.643 ( 1.312 -5.525 -7.656) 9.532 4.736 ( 5.203 5.891 1.395) 7.983 4.801 ( 3.392 -3.394 -4.751) 6.753 5.010 ( -3.332 4.810 4.293) 7.258 5.150 ( -4.309 6.864 -1.522) 8.246 5.476 ( -7.015 1.322 -0.396) 7.149 5.578 ( 3.600 1.709 1.936) 4.431 5.694 ( -6.470 0.401 -2.541) 6.963 5.789 ( 0.411 -3.637 8.335) 9.103 6.239 ( 7.767 -5.993 -9.519) 13.669 6.461 ( -2.100 3.255 -5.229) 6.508 6.566 ( 2.557 7.688 -5.095) 9.571 7.043 ( -5.120 2.183 14.466) 15.500 7.265 ( -7.227 11.158 -0.051) 13.294 7.479 ( 0.193 -3.344 3.520) 4.859 7.735 ( 3.158 12.737 -0.903) 13.154 8.028 ( -0.342 13.076 -1.535) 13.171 8.414 ( 7.211 4.575 5.145) 9.970 8.847 ( -2.656 -3.008 10.774) 11.497 9.566 ( -2.395 -2.974 -6.485) 7.526 9.744 ( -6.767 3.820 -3.859) 8.677 10.149 ( 1.878 5.094 -2.782) 6.101 10.293 ( 6.331 -2.376 0.820) 6.812 10.591 ( 0.056 5.343 -8.187) 9.776 10.836 ( 4.587 1.240 -7.387) 8.784 11.316 ( 7.330 20.587 1.736) 21.921 11.491 ( 3.905 11.721 4.794) 13.252 11.835 ( -3.625 6.701 -9.733) 12.360 12.074 ( 3.324 2.052 10.138) 10.865 12.622 ( -11.764 -7.970 0.663) 14.225 12.817 ( -1.699 9.544 5.778) 11.285 13.249 ( 5.185 12.435 -10.573) 17.127 13.716 ( 2.259 -3.577 -0.954) 4.336 14.241 ( 5.172 -10.244 8.008) 13.994 14.480 ( 1.250 -15.539 -0.988) 15.620 14.980 ( -2.050 -11.779 1.541) 12.055 15.735 ( 6.950 14.912 -2.512) 16.643 16.010 ( 3.208 11.225 2.878) 12.024 17.045 ( -13.297 -10.382 -3.667) 17.264 17.140 ( -24.589 -13.284 0.255) 27.949 18.071 ( 2.029 21.409 2.087) 21.605 19.274 ( 27.341 10.652 -28.492) 40.900 20.545 ( 3.380 -8.557 -0.585) 9.219 21.309 ( -6.140 -13.637 0.862) 14.981 23.336 ( -2.551 -0.411 3.373) 4.249 23.609 ( -0.639 -6.197 15.627) 16.823 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -14.779 21.042 7.116) 26.680 1.232 ( -15.781 21.641 12.621) 29.609 2.297 ( -8.868 44.425 11.034) 46.625 2.822 ( 0.756 0.383 -7.719) 7.765 2.937 ( -5.278 2.194 -9.382) 10.986 3.218 ( 5.936 -0.639 -0.481) 5.989 3.323 ( 1.777 -0.869 -1.459) 2.458 3.466 ( -2.794 -0.681 0.865) 3.003 3.568 ( -2.645 1.380 -0.780) 3.084 3.716 ( 5.333 -5.526 -2.985) 8.239 3.751 ( 3.536 -9.129 0.792) 9.822 3.912 ( 4.799 -5.494 3.996) 8.317 4.073 ( -6.859 -1.228 3.784) 7.929 4.106 ( -3.595 -2.708 6.875) 8.217 4.573 ( 4.046 10.243 -1.199) 11.078 4.768 ( -0.393 -4.749 -7.302) 8.719 4.800 ( 3.765 5.523 -2.733) 7.221 5.025 ( 0.193 4.212 -0.634) 4.263 5.029 ( 0.525 -5.762 -0.389) 5.799 5.334 ( -4.211 6.188 -8.402) 11.252 5.582 ( 1.019 1.430 6.142) 6.388 5.667 ( -4.376 -2.761 4.278) 6.714 5.871 ( -4.192 -4.235 8.161) 10.105 6.229 ( 3.287 9.455 -9.407) 13.737 6.369 ( -0.818 4.081 -9.881) 10.722 6.551 ( 5.487 -4.063 -5.865) 9.001 6.937 ( -2.903 10.613 15.626) 19.111 7.015 ( -5.202 10.491 4.244) 12.455 7.491 ( -4.267 3.631 1.732) 5.865 7.579 ( 2.712 4.647 5.120) 7.427 7.784 ( -2.435 11.924 -1.505) 12.263 8.426 ( 8.157 2.244 4.000) 9.358 8.942 ( -4.718 -8.789 6.189) 11.740 9.531 ( -6.071 2.285 -4.104) 7.676 9.703 ( 0.493 -3.867 -8.405) 9.265 10.053 ( 0.324 5.923 1.234) 6.059 10.381 ( 2.625 -2.868 -1.203) 4.069 10.494 ( 1.626 4.359 -8.262) 9.482 10.791 ( 1.918 7.142 0.315) 7.402 11.061 ( 6.004 11.562 -3.455) 13.478 11.296 ( 1.940 13.157 3.232) 13.686 11.528 ( -0.250 20.267 -3.909) 20.642 12.190 ( 5.696 -5.869 -2.139) 8.453 12.593 ( -2.434 7.392 3.145) 8.394 12.787 ( -12.322 -9.338 5.149) 16.295 12.993 ( 8.433 18.063 -20.479) 28.579 13.800 ( -0.241 -4.871 -0.812) 4.944 14.496 ( 3.383 -12.515 12.396) 17.937 14.751 ( 3.025 -12.140 0.161) 12.512 15.019 ( -2.103 3.651 -0.619) 4.258 15.597 ( 4.122 8.033 2.990) 9.511 15.856 ( -2.463 3.422 1.340) 4.424 17.089 ( -6.637 -3.234 0.974) 7.447 17.207 ( -16.198 -11.903 -4.541) 20.608 17.749 ( -1.194 14.151 1.501) 14.281 19.084 ( 29.603 29.557 -47.383) 63.207 20.729 ( 3.997 -8.185 -0.085) 9.109 21.507 ( -9.894 -15.428 3.590) 18.677 23.332 ( -2.265 -0.495 2.807) 3.641 23.815 ( -0.656 -13.946 26.410) 29.873 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -15.627 16.040 15.719) 27.360 0.813 ( -5.698 20.647 22.609) 31.144 1.451 ( -11.156 42.338 30.977) 53.634 2.790 ( 0.874 1.346 -11.549) 11.660 2.837 ( -3.595 2.441 -11.050) 11.873 3.247 ( 2.322 -1.087 -3.685) 4.489 3.334 ( -2.795 0.457 2.259) 3.623 3.456 ( -3.241 0.140 -1.127) 3.434 3.539 ( -2.035 -0.275 1.095) 2.327 3.825 ( 8.599 0.223 -3.080) 9.137 3.913 ( 4.081 -3.678 4.667) 7.208 4.032 ( 5.585 -2.914 3.394) 7.155 4.072 ( -6.645 -5.535 -2.463) 8.992 4.137 ( -1.895 -1.183 5.149) 5.613 4.516 ( 2.912 -2.819 1.524) 4.330 4.713 ( 0.066 1.379 -5.340) 5.515 4.831 ( 1.446 -0.909 -3.124) 3.560 4.924 ( -1.303 6.067 -2.577) 6.719 5.129 ( 1.297 -3.170 -0.527) 3.465 5.235 ( 2.075 0.863 -6.136) 6.534 5.592 ( -0.285 -1.501 7.370) 7.527 5.735 ( 0.493 -4.868 3.545) 6.042 5.904 ( -6.008 -2.750 3.886) 7.665 6.044 ( 4.448 10.954 -5.966) 13.243 6.265 ( -1.466 3.345 -10.519) 11.135 6.644 ( 3.155 0.681 0.152) 3.231 6.750 ( 0.571 7.389 1.712) 7.606 6.853 ( -6.428 5.919 13.748) 16.290 7.387 ( -2.412 3.870 5.346) 7.027 7.490 ( 0.462 9.571 0.189) 9.584 7.669 ( -8.499 -4.825 3.263) 10.303 8.476 ( 6.004 -0.207 3.300) 6.854 9.077 ( -2.282 -7.756 -2.153) 8.367 9.438 ( -6.965 0.134 -2.496) 7.400 9.762 ( -5.878 -4.761 -8.377) 11.287 9.964 ( -1.146 4.117 1.726) 4.609 10.407 ( 3.159 5.909 -0.421) 6.714 10.428 ( -1.609 -1.893 -9.443) 9.764 10.664 ( -1.085 6.106 2.931) 6.859 10.961 ( 3.068 13.839 -11.238) 18.089 11.026 ( -2.483 16.194 -13.513) 21.237 11.187 ( -5.449 12.506 -1.729) 13.750 12.139 ( 6.834 28.383 -20.555) 35.704 12.472 ( 2.270 3.716 1.006) 4.469 12.541 ( 1.107 11.114 -7.747) 13.592 13.000 ( 0.401 -7.562 6.590) 10.039 13.867 ( -1.639 -3.582 -0.906) 4.042 14.661 ( -1.843 2.259 2.518) 3.852 14.949 ( 5.175 -6.358 2.463) 8.560 15.094 ( 4.373 -17.141 9.074) 19.881 15.530 ( 4.387 -2.962 16.742) 17.559 15.868 ( -2.681 -3.727 1.359) 4.788 17.029 ( 1.035 6.005 -0.355) 6.104 17.254 ( -7.773 -5.038 -8.057) 12.277 17.604 ( -7.232 0.800 -1.654) 7.462 18.359 ( 33.582 71.216 -50.961) 93.790 20.872 ( 3.139 -4.514 0.034) 5.499 21.686 ( -14.005 -13.738 -0.994) 19.643 23.329 ( -1.593 -0.314 2.559) 3.031 24.290 ( -0.259 -34.506 32.913) 47.686 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 12.895 0.000 24.706) 27.868 1.006 ( 23.069 0.000 24.387) 33.570 1.549 ( 27.203 0.000 36.067) 45.176 2.666 ( 0.806 0.000 -16.783) 16.802 2.841 ( 12.816 0.000 -8.359) 15.301 3.167 ( -7.554 -0.000 -1.966) 7.805 3.289 ( -2.972 -0.000 -5.782) 6.501 3.328 ( -3.899 -0.000 4.443) 5.911 3.521 ( -0.253 -0.000 -2.569) 2.581 3.875 ( -9.812 -0.000 -2.546) 10.137 3.919 ( 6.996 0.000 -4.652) 8.402 3.972 ( -5.167 -0.000 1.621) 5.415 4.221 ( -1.310 -0.000 15.232) 15.288 4.255 ( 7.409 0.000 -2.390) 7.785 4.479 ( -5.555 -0.000 -7.650) 9.454 4.606 ( -7.880 -0.000 -3.636) 8.679 4.713 ( -3.101 -0.000 4.998) 5.882 4.954 ( -6.546 -0.000 -10.530) 12.399 5.066 ( 7.374 0.000 1.814) 7.594 5.092 ( -3.846 -0.000 -0.341) 3.861 5.663 ( -3.157 -0.000 8.614) 9.175 5.717 ( 1.457 0.000 -15.166) 15.236 5.864 ( -0.358 -0.000 -7.790) 7.798 5.986 ( 6.223 0.000 9.724) 11.545 6.457 ( 1.347 0.000 -2.911) 3.208 6.625 ( -15.225 -0.000 20.754) 25.739 6.729 ( -3.170 -0.000 -5.229) 6.115 6.752 ( 9.007 0.000 4.985) 10.294 7.315 ( -0.383 -0.000 -4.611) 4.627 7.492 ( -2.590 -0.000 0.018) 2.590 7.501 ( 6.525 0.000 9.881) 11.841 8.518 ( 0.033 0.000 4.296) 4.296 9.092 ( -3.696 -0.000 -6.397) 7.389 9.526 ( -1.167 -0.000 -7.507) 7.597 9.639 ( 11.720 0.000 -5.110) 12.786 9.957 ( 4.385 0.000 -5.805) 7.275 10.152 ( 3.213 0.000 -5.586) 6.445 10.446 ( 0.375 0.000 4.873) 4.887 10.604 ( 3.358 0.000 -1.629) 3.732 10.628 ( 13.217 0.000 -4.310) 13.902 10.849 ( -7.005 -0.000 -10.295) 12.452 11.060 ( -1.487 -0.000 -0.276) 1.513 12.161 ( 13.950 0.000 -9.806) 17.052 12.443 ( -1.142 -0.000 3.479) 3.662 12.506 ( -3.747 -0.000 -1.951) 4.225 13.226 ( 5.874 0.000 2.414) 6.350 13.941 ( 5.789 0.000 -0.716) 5.833 14.636 ( 4.381 0.000 0.049) 4.381 14.872 ( -10.347 -0.000 10.153) 14.497 15.234 ( -1.700 -0.000 0.337) 1.733 15.789 ( -19.637 -0.000 -5.163) 20.304 16.035 ( -5.509 -0.000 5.463) 7.759 16.931 ( 0.019 0.000 -2.785) 2.785 17.031 ( -2.122 -0.000 2.530) 3.302 17.499 ( 20.210 0.000 -4.273) 20.657 19.075 ( 65.407 0.000 -48.005) 81.133 20.928 ( -5.685 -0.000 1.641) 5.917 21.417 ( -8.957 -0.000 8.448) 12.313 23.341 ( 0.769 0.000 2.454) 2.572 24.251 ( -35.445 -0.000 25.947) 43.927 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 13.819 -18.434 18.335) 29.444 1.347 ( 20.705 -13.288 20.016) 31.716 1.988 ( 22.703 -16.398 16.522) 32.516 2.718 ( 3.244 -7.638 -13.434) 15.790 2.972 ( 14.234 -3.386 -1.762) 14.737 3.119 ( -7.170 -2.805 -4.132) 8.738 3.277 ( -0.551 -3.375 -4.999) 6.056 3.311 ( -2.014 0.655 2.912) 3.601 3.462 ( -0.408 4.739 -1.835) 5.098 3.741 ( -5.860 4.350 -1.844) 7.528 3.879 ( -4.817 5.428 1.646) 7.441 4.016 ( 0.936 -1.190 -1.589) 2.194 4.120 ( -1.834 9.376 5.291) 10.921 4.337 ( 3.268 -0.232 10.652) 11.144 4.421 ( -3.551 -1.801 -5.279) 6.612 4.580 ( -5.354 -1.021 -5.012) 7.405 4.706 ( -0.900 -4.441 0.678) 4.582 4.942 ( 2.418 -2.677 -14.482) 14.925 5.063 ( -2.285 0.251 -0.562) 2.367 5.192 ( 6.659 -6.198 -1.185) 9.174 5.600 ( -1.423 3.420 3.470) 5.076 5.780 ( 1.672 -4.693 -6.669) 8.324 5.886 ( -1.066 -2.492 -2.255) 3.526 6.063 ( 2.616 -2.844 5.801) 6.970 6.381 ( -3.181 2.361 -1.967) 4.423 6.601 ( -6.838 -1.765 4.535) 8.392 6.647 ( -11.151 -0.405 6.076) 12.706 6.931 ( 8.244 -9.745 4.426) 13.510 7.380 ( -3.241 -6.434 -3.810) 8.149 7.499 ( 1.639 -3.524 -3.839) 5.462 7.653 ( 8.163 -6.890 10.011) 14.640 8.457 ( -1.888 6.181 4.459) 7.852 9.000 ( -6.871 4.265 0.276) 8.092 9.571 ( 1.192 -3.957 -6.280) 7.518 9.703 ( 2.220 -5.270 -8.364) 10.132 9.920 ( 2.310 3.208 0.746) 4.023 10.231 ( 0.095 -3.041 -4.549) 5.472 10.576 ( 0.805 -12.064 3.095) 12.480 10.642 ( 3.284 -2.038 -1.010) 3.995 10.774 ( -7.299 -2.073 -8.807) 11.625 10.936 ( 0.256 -18.682 -5.867) 19.583 11.146 ( -0.524 -11.887 -0.520) 11.910 12.306 ( 4.146 -6.574 -11.387) 13.787 12.460 ( 1.277 -0.637 -3.174) 3.480 12.486 ( -1.599 -4.005 3.423) 5.506 13.230 ( 6.021 4.651 1.485) 7.752 13.922 ( 5.579 7.034 0.035) 8.978 14.683 ( -4.406 8.934 8.733) 13.247 14.763 ( 1.474 -3.764 2.399) 4.700 15.256 ( -2.192 1.496 -3.544) 4.427 15.457 ( -15.814 7.156 0.887) 17.380 15.921 ( 3.121 8.792 3.634) 10.012 17.095 ( 0.913 -11.060 0.661) 11.118 17.109 ( -0.289 -9.943 -3.790) 10.645 17.637 ( 16.234 1.285 -2.972) 16.554 19.428 ( 28.297 -4.036 -42.772) 51.444 20.823 ( -9.862 4.471 2.752) 11.172 21.361 ( 2.467 5.253 5.989) 8.340 23.351 ( 1.094 0.425 2.582) 2.836 23.960 ( -20.238 9.934 25.610) 34.119 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 12.899 -16.012 16.054) 26.087 1.836 ( 20.821 -16.919 11.135) 29.047 2.430 ( 8.364 -15.885 -4.584) 18.529 2.899 ( 4.154 -10.797 -5.465) 12.795 3.097 ( -0.790 -5.030 -8.014) 9.495 3.136 ( -5.308 -5.336 -6.838) 10.168 3.257 ( -0.542 5.530 -0.817) 5.617 3.349 ( -1.344 6.361 -1.559) 6.686 3.481 ( 12.233 -12.452 10.166) 20.200 3.641 ( -0.308 3.048 -1.530) 3.424 3.734 ( -4.102 7.202 5.695) 10.056 3.906 ( -4.768 6.045 2.920) 8.234 4.016 ( 3.785 6.037 1.547) 7.292 4.273 ( -0.662 8.899 9.501) 13.035 4.427 ( -4.004 0.238 -5.056) 6.454 4.628 ( -0.431 -10.113 -1.916) 10.302 4.833 ( -0.634 -9.244 -2.869) 9.699 4.970 ( -0.745 1.207 -5.783) 5.955 5.073 ( 5.207 -4.342 -8.955) 11.232 5.340 ( 7.785 -3.068 -0.956) 8.422 5.543 ( -3.042 2.627 4.079) 5.726 5.756 ( 0.849 8.059 0.790) 8.141 5.942 ( -0.934 -4.477 4.179) 6.195 6.179 ( 0.007 -8.861 -6.320) 10.884 6.417 ( -1.195 -5.635 -3.940) 6.979 6.477 ( -6.900 1.351 -0.219) 7.035 6.719 ( -5.113 -7.889 10.230) 13.893 7.204 ( 5.355 -13.374 3.043) 14.724 7.392 ( -1.833 0.832 -2.742) 3.402 7.656 ( -1.654 -13.347 -6.298) 14.851 7.896 ( 9.536 -9.947 9.409) 16.685 8.324 ( -5.941 5.500 2.372) 8.437 8.866 ( -6.450 5.156 8.390) 11.772 9.572 ( -3.654 0.023 -8.431) 9.189 9.876 ( 2.733 -11.554 -7.440) 14.012 9.923 ( 7.616 0.256 1.711) 7.810 10.255 ( -0.265 -0.892 -0.339) 0.991 10.640 ( -4.627 -0.281 -6.974) 8.374 10.764 ( 1.997 -6.586 -1.194) 6.985 10.926 ( 0.704 -17.869 2.991) 18.131 11.189 ( -7.854 -17.733 -0.338) 19.397 11.359 ( -6.886 -11.694 -5.183) 14.527 12.321 ( -0.449 1.121 1.503) 1.928 12.576 ( 0.326 -9.472 -4.592) 10.531 12.606 ( 2.569 -8.500 -0.433) 8.890 13.190 ( 5.654 4.362 -1.818) 7.369 13.799 ( 4.058 10.812 0.250) 11.551 14.431 ( -5.176 13.634 8.372) 16.816 14.824 ( -4.343 7.925 2.377) 9.344 15.073 ( 2.178 2.427 -4.722) 5.739 15.501 ( -9.313 -12.193 1.349) 15.402 15.800 ( 1.615 5.776 0.279) 6.004 17.249 ( 11.194 -3.661 -0.907) 11.812 17.323 ( 5.317 -5.769 -0.590) 7.867 17.748 ( 10.883 -6.284 -3.056) 12.933 19.456 ( 0.878 3.514 -27.029) 27.271 20.668 ( -7.274 5.159 1.466) 9.037 21.281 ( 5.973 8.877 0.840) 10.732 23.355 ( 0.968 0.761 3.088) 3.325 23.735 ( -10.709 7.644 18.186) 22.447 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 10.530 -16.402 10.526) 22.152 2.290 ( 19.136 -14.097 6.677) 24.688 2.664 ( 0.770 -9.355 -7.918) 12.280 3.040 ( -3.690 -1.302 -1.860) 4.333 3.058 ( -2.617 11.270 -4.312) 12.347 3.155 ( -0.961 0.848 -8.075) 8.176 3.183 ( 5.041 -4.735 -8.298) 10.802 3.259 ( -7.681 -3.903 -6.389) 10.726 3.530 ( -2.590 4.345 0.152) 5.060 3.596 ( -0.800 6.192 7.504) 9.761 3.717 ( -1.649 0.419 4.216) 4.546 3.884 ( 3.362 3.573 4.964) 6.979 4.061 ( 6.041 2.744 3.159) 7.349 4.183 ( 9.356 -9.683 13.663) 19.183 4.393 ( -1.849 -0.778 -2.752) 3.405 4.812 ( -0.916 -4.305 -7.020) 8.286 4.877 ( -9.488 -3.942 6.632) 12.229 4.990 ( 3.896 -7.127 -3.102) 8.694 5.228 ( 8.225 -6.612 -10.959) 15.214 5.382 ( 2.334 4.884 -1.205) 5.546 5.437 ( -2.183 6.352 6.498) 9.346 5.657 ( 2.182 1.904 0.083) 2.898 6.001 ( -2.543 -2.044 3.080) 4.487 6.164 ( -9.133 4.407 -5.719) 11.643 6.461 ( -0.344 -8.252 -0.374) 8.267 6.626 ( 7.592 -7.031 -4.755) 11.388 6.843 ( -2.161 -7.074 10.412) 12.772 7.331 ( -1.571 3.022 -2.708) 4.352 7.499 ( 5.192 -14.456 -0.263) 15.362 7.815 ( -4.416 -6.427 -5.199) 9.372 8.189 ( 8.467 -10.913 8.836) 16.397 8.225 ( -9.225 -3.772 -0.268) 9.970 8.775 ( -2.444 3.425 13.496) 14.137 9.506 ( -8.002 -0.748 -9.419) 12.382 9.965 ( -1.363 -2.956 0.116) 3.258 10.101 ( 16.248 -2.616 -3.984) 16.933 10.267 ( -2.930 -2.784 -1.672) 4.374 10.612 ( -2.631 -2.505 -4.452) 5.746 10.905 ( 4.222 -6.870 -0.478) 8.078 11.241 ( -4.960 -15.072 0.749) 15.885 11.338 ( -7.869 -3.923 -6.087) 10.694 11.532 ( -3.817 -20.041 -0.419) 20.406 12.315 ( 0.051 1.578 6.558) 6.745 12.756 ( -0.962 -9.504 3.688) 10.239 12.782 ( 6.722 -8.956 -2.247) 11.421 13.200 ( -0.084 -5.171 -4.851) 7.091 13.630 ( 2.350 10.474 -0.920) 10.774 14.178 ( -5.478 12.342 5.969) 14.764 14.521 ( -4.930 16.806 -0.186) 17.515 15.051 ( 3.146 9.439 1.280) 10.031 15.619 ( -8.821 -11.365 -1.192) 14.436 15.844 ( -1.758 -10.107 -0.711) 10.283 17.275 ( 10.321 13.291 -0.766) 16.845 17.428 ( 20.642 1.002 -3.068) 20.893 18.076 ( 5.293 -21.224 0.633) 21.883 19.258 ( -13.417 5.874 -14.907) 20.898 20.543 ( -2.679 4.676 -0.395) 5.403 21.152 ( 4.640 9.868 -3.528) 11.461 23.355 ( 0.508 0.806 4.084) 4.194 23.591 ( -6.458 5.079 11.791) 14.371 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 6.933 -12.565 2.832) 14.627 2.657 ( 12.839 -11.157 2.224) 17.154 2.713 ( -5.318 5.940 -3.383) 8.661 2.821 ( -0.506 10.900 1.102) 10.968 2.885 ( -3.604 4.916 -4.659) 7.673 3.148 ( -3.217 -3.392 -4.753) 6.667 3.244 ( -5.074 0.907 -3.003) 5.966 3.296 ( 4.239 -3.635 -5.282) 7.686 3.472 ( 2.668 2.019 0.049) 3.346 3.533 ( 2.565 2.286 -0.516) 3.474 3.676 ( -1.047 2.018 -1.256) 2.597 3.874 ( -0.715 0.293 6.894) 6.938 4.013 ( 3.716 -0.126 -0.210) 3.724 4.404 ( 2.542 0.054 -2.931) 3.880 4.577 ( 3.640 -8.888 11.127) 14.699 4.721 ( -4.948 -4.529 5.281) 8.537 4.988 ( -3.185 -2.346 3.305) 5.154 5.111 ( -6.703 11.588 5.233) 14.373 5.155 ( 2.083 -8.376 -5.184) 10.068 5.387 ( 4.697 3.225 0.480) 5.718 5.436 ( 4.310 -6.291 -4.711) 8.963 5.688 ( 2.828 -1.375 -0.633) 3.208 5.917 ( -10.017 3.141 -4.942) 11.603 6.074 ( -0.227 1.230 -0.469) 1.336 6.585 ( 0.987 -4.897 0.513) 5.022 6.696 ( 5.643 3.580 -3.753) 7.665 7.021 ( 1.678 -10.229 10.021) 14.418 7.246 ( -3.141 3.543 -2.997) 5.604 7.710 ( 1.953 2.402 -4.269) 5.274 7.828 ( -3.193 -8.961 -2.281) 9.783 8.256 ( -3.743 -5.166 5.158) 8.204 8.446 ( 1.331 -8.468 0.950) 8.624 8.798 ( 3.978 -1.736 16.703) 17.258 9.448 ( -8.026 -3.159 -10.113) 13.292 9.944 ( -9.819 0.819 1.263) 9.934 10.181 ( 10.690 3.661 -1.807) 11.443 10.332 ( 7.367 -2.728 -6.652) 10.294 10.667 ( 1.045 -3.705 0.746) 3.921 11.043 ( 0.192 -2.700 -3.854) 4.709 11.202 ( -0.842 -1.087 -12.677) 12.751 11.525 ( -7.515 -15.905 1.980) 17.702 11.832 ( -1.527 -12.443 5.148) 13.552 12.265 ( 0.387 5.790 4.704) 7.470 12.842 ( 2.379 0.564 2.442) 3.456 13.036 ( 6.404 -10.315 4.244) 12.861 13.379 ( -4.646 -18.306 -3.395) 19.189 13.494 ( 0.346 4.898 -2.668) 5.588 13.938 ( -6.554 10.152 4.105) 12.761 14.235 ( 0.533 11.951 -0.714) 11.984 14.810 ( 0.289 17.054 1.597) 17.131 15.795 ( -4.842 -14.255 -0.950) 15.085 16.030 ( -6.558 -13.602 -0.045) 15.100 17.050 ( 9.331 19.455 -1.877) 21.658 17.491 ( 15.995 10.232 -4.482) 19.509 18.478 ( 5.438 -16.277 2.206) 17.303 19.061 ( -12.513 -1.519 -7.248) 14.540 20.458 ( 1.510 4.193 -1.751) 4.788 21.019 ( 1.277 5.740 -6.138) 8.500 23.354 ( -0.374 0.729 5.266) 5.329 23.506 ( -3.934 2.343 7.951) 9.175 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -7.648 17.859 -1.756) 19.507 2.458 ( -6.872 17.750 1.603) 19.101 2.725 ( 3.766 -3.965 -0.380) 5.482 2.871 ( 1.918 -6.262 -6.990) 9.579 2.984 ( 10.776 -6.093 0.760) 12.402 3.161 ( -3.434 -1.631 -4.464) 5.863 3.210 ( 0.173 -2.080 3.368) 3.962 3.361 ( 1.551 -2.729 -1.977) 3.710 3.439 ( 2.823 2.630 0.726) 3.926 3.581 ( 1.824 -4.103 -5.438) 7.052 3.654 ( -0.543 -0.809 -0.428) 1.064 3.861 ( 0.005 3.024 5.743) 6.491 4.102 ( 3.509 -3.821 -0.504) 5.212 4.381 ( -0.460 1.712 -5.162) 5.458 4.587 ( -2.242 0.999 3.489) 4.266 4.740 ( -4.400 11.313 2.481) 12.389 4.948 ( -6.587 5.006 12.322) 14.842 5.027 ( 0.426 -9.302 8.233) 12.430 5.235 ( -1.842 0.342 -2.107) 2.819 5.425 ( 3.490 -3.680 -5.437) 7.435 5.538 ( -2.085 -3.946 1.328) 4.656 5.662 ( -3.075 1.979 -1.013) 3.794 5.870 ( 1.842 -0.394 -4.391) 4.777 6.053 ( 4.006 0.108 -5.586) 6.875 6.606 ( 4.419 6.054 -2.919) 8.044 6.681 ( -2.635 -3.080 1.876) 4.467 7.127 ( 1.403 5.963 0.446) 6.142 7.248 ( -2.690 -10.266 7.340) 12.903 7.554 ( -7.863 7.205 -1.419) 10.759 7.962 ( 5.326 -2.365 -4.007) 7.072 8.306 ( -0.892 -0.176 3.410) 3.529 8.529 ( 2.183 -0.453 3.244) 3.936 8.889 ( 1.361 0.612 13.690) 13.771 9.456 ( -3.006 -4.670 -9.431) 10.944 9.828 ( -11.229 1.563 1.446) 11.429 10.186 ( 4.811 1.733 -1.453) 5.316 10.394 ( 10.450 3.096 -4.828) 11.920 10.722 ( 1.391 -0.251 2.866) 3.196 10.930 ( -0.755 5.531 -17.703) 18.562 11.371 ( 6.468 -11.779 -5.861) 14.660 11.729 ( -4.662 -11.033 5.542) 13.197 11.917 ( -3.165 0.314 5.167) 6.068 12.133 ( -2.261 10.145 2.095) 10.602 12.783 ( -0.584 7.377 1.631) 7.577 13.155 ( 1.705 3.336 5.650) 6.780 13.442 ( -3.789 0.194 -1.194) 3.977 13.660 ( 4.108 -6.675 -1.214) 7.931 13.861 ( 1.405 -10.278 3.256) 10.872 14.150 ( 0.626 -1.586 -2.519) 3.042 14.566 ( -1.662 6.609 1.508) 6.979 16.014 ( -0.517 -12.589 1.228) 12.659 16.180 ( -3.867 -6.551 -1.362) 7.728 16.780 ( 1.203 13.378 -1.748) 13.545 17.268 ( -1.652 18.981 -4.882) 19.669 18.619 ( 0.729 3.659 2.171) 4.317 19.179 ( 6.876 -13.789 -6.276) 16.637 20.416 ( 4.372 2.229 -3.167) 5.841 20.971 ( -2.827 -2.896 -5.856) 7.118 23.343 ( -1.661 0.868 5.093) 5.427 23.487 ( -1.979 -0.964 7.878) 8.179 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -10.241 22.168 1.892) 24.493 2.053 ( -4.715 23.053 6.610) 24.441 2.784 ( 3.843 -0.603 -6.547) 7.615 2.964 ( 3.645 -3.221 -7.269) 8.747 3.089 ( 2.043 1.023 -3.804) 4.437 3.160 ( 0.917 -2.032 -0.722) 2.343 3.338 ( 3.932 -6.936 3.049) 8.536 3.419 ( -0.825 -4.174 -1.991) 4.697 3.481 ( 1.720 -5.064 -1.451) 5.542 3.583 ( 0.367 2.339 -3.923) 4.582 3.720 ( -3.338 -5.233 5.198) 8.096 3.778 ( 1.305 8.656 4.941) 10.052 4.128 ( -0.873 2.264 1.855) 3.055 4.235 ( -3.693 16.958 6.868) 18.665 4.486 ( -2.081 -4.499 -8.143) 9.533 4.729 ( 2.296 -5.708 -3.766) 7.214 4.870 ( 0.237 3.198 10.316) 10.803 5.081 ( -2.959 3.903 2.687) 5.587 5.203 ( -3.010 1.129 -0.617) 3.273 5.425 ( -5.683 0.717 1.476) 5.915 5.564 ( -3.478 -3.442 -2.645) 5.562 5.669 ( 1.411 0.466 -0.861) 1.717 5.830 ( 2.382 3.184 1.602) 4.287 6.162 ( 8.481 -6.668 -9.129) 14.133 6.508 ( -0.654 5.340 -3.512) 6.425 6.682 ( 0.376 3.201 -2.594) 4.138 7.036 ( -5.931 2.153 6.734) 9.228 7.345 ( -6.089 4.208 3.444) 8.163 7.425 ( -0.242 -3.170 4.799) 5.757 7.963 ( 5.720 6.789 -1.374) 8.983 8.227 ( -0.717 8.845 -0.601) 8.894 8.541 ( 4.389 2.881 4.826) 7.131 8.856 ( -3.945 3.398 10.709) 11.907 9.487 ( -0.598 -2.432 -8.270) 8.641 9.741 ( -5.771 1.172 1.063) 5.984 10.205 ( 3.436 -0.104 -0.420) 3.463 10.361 ( 3.794 5.531 -2.906) 7.309 10.690 ( 3.247 5.230 -4.507) 7.629 10.854 ( 3.326 0.318 -13.112) 13.531 11.602 ( 8.067 -6.437 -5.509) 11.699 11.726 ( 4.574 12.148 7.304) 14.894 11.836 ( -6.528 12.269 0.294) 13.901 12.032 ( -7.974 -12.019 4.923) 15.240 12.591 ( -3.391 11.890 1.947) 12.516 13.019 ( -0.557 11.635 5.588) 12.919 13.391 ( -1.357 2.642 -2.055) 3.612 13.728 ( 6.475 1.234 -5.472) 8.567 14.114 ( -1.562 -8.413 5.985) 10.442 14.259 ( 7.025 -11.915 -0.449) 13.839 14.671 ( -3.649 -17.707 1.950) 18.184 16.097 ( 5.998 16.122 -4.130) 17.690 16.192 ( 5.883 -1.345 3.723) 7.091 16.700 ( -12.418 -9.921 -1.734) 15.989 16.899 ( -14.063 9.098 -3.592) 17.130 18.441 ( 0.819 16.793 2.119) 16.946 19.456 ( 17.098 -6.539 -14.925) 23.619 20.456 ( 5.307 -3.568 -2.970) 7.051 21.040 ( -6.954 -9.896 -2.733) 12.399 23.326 ( -1.992 0.420 3.885) 4.386 23.539 ( -1.663 -4.019 11.296) 12.105 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -7.033 23.822 6.770) 25.745 1.625 ( -2.151 24.451 12.295) 27.453 2.779 ( 2.402 5.238 -10.166) 11.686 2.905 ( -0.100 7.933 -6.145) 10.035 3.068 ( 3.589 17.681 4.125) 18.508 3.176 ( 2.559 -7.116 -3.042) 8.151 3.387 ( 4.247 3.756 -6.347) 8.511 3.434 ( -8.074 2.702 7.388) 11.272 3.587 ( -0.187 3.980 -1.817) 4.379 3.588 ( 1.260 -7.225 0.621) 7.361 3.638 ( 1.683 -7.587 -2.430) 8.143 3.815 ( -0.784 -5.985 4.864) 7.752 4.028 ( -8.770 2.776 8.093) 12.252 4.092 ( 1.425 0.395 3.586) 3.879 4.597 ( -1.307 -9.296 -8.630) 12.752 4.796 ( 3.042 7.038 -3.388) 8.382 4.853 ( 2.380 -0.420 -2.272) 3.317 4.992 ( -1.178 2.427 5.827) 6.421 5.116 ( 2.682 4.141 -3.552) 6.079 5.358 ( -6.968 2.610 -1.416) 7.574 5.582 ( -5.063 -3.115 1.081) 6.042 5.628 ( 0.721 2.280 -1.133) 2.646 5.849 ( 1.889 0.107 9.066) 9.262 6.310 ( 7.267 -3.121 -10.927) 13.488 6.407 ( -0.871 3.839 -5.777) 6.991 6.577 ( 2.207 5.886 -7.404) 9.713 6.980 ( -10.295 0.590 13.726) 17.168 7.192 ( -2.274 9.219 4.044) 10.321 7.495 ( -0.624 -1.792 4.708) 5.076 7.808 ( 4.013 14.433 4.742) 15.713 8.013 ( -0.430 13.686 -2.775) 13.971 8.519 ( 1.311 3.017 3.005) 4.456 8.828 ( -3.093 -2.023 9.820) 10.492 9.491 ( -2.512 -0.889 -5.362) 5.987 9.700 ( 2.749 1.222 -4.392) 5.323 10.173 ( 1.637 7.173 -1.705) 7.552 10.323 ( -1.349 -2.363 -2.183) 3.488 10.612 ( 5.763 5.996 -5.811) 10.145 10.857 ( 2.344 0.482 -7.200) 7.587 11.398 ( 0.802 21.888 0.619) 21.911 11.547 ( 0.580 13.056 5.629) 14.230 11.767 ( 0.778 3.207 -9.173) 9.749 12.169 ( 1.682 -2.775 9.443) 9.986 12.463 ( -6.349 -6.000 0.698) 8.763 12.815 ( -2.137 11.131 5.926) 12.790 13.279 ( 5.069 11.418 -11.242) 16.806 13.726 ( 0.194 -1.338 -6.096) 6.244 14.279 ( -5.110 -13.078 8.987) 16.671 14.569 ( 8.210 -13.231 3.160) 15.889 14.954 ( -2.110 -12.645 2.059) 12.985 15.816 ( 4.896 16.034 -4.284) 17.304 16.059 ( -0.252 16.746 3.997) 17.218 16.814 ( -12.770 -14.745 -2.291) 19.640 16.891 ( -3.402 -12.707 -2.015) 13.307 18.090 ( -0.416 22.287 0.428) 22.295 19.552 ( 22.275 8.425 -30.046) 38.339 20.604 ( 4.382 -8.548 -0.861) 9.644 21.174 ( -10.693 -13.064 1.950) 16.995 23.317 ( -1.567 -0.152 3.166) 3.536 23.657 ( -3.041 -8.080 17.422) 19.443 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 5.511 21.979 13.667) 26.461 1.238 ( 1.883 22.821 19.423) 30.026 2.271 ( -1.892 43.889 12.615) 45.705 2.838 ( 5.641 2.746 -10.419) 12.162 2.858 ( 1.410 6.803 -6.638) 9.609 3.279 ( 2.912 0.669 -3.227) 4.398 3.318 ( -2.326 1.585 -0.410) 2.844 3.404 ( -4.506 -2.448 -0.491) 5.151 3.521 ( -3.002 0.736 -1.136) 3.293 3.768 ( 2.187 -9.025 -4.563) 10.347 3.812 ( 2.185 -9.834 1.644) 10.207 3.899 ( -7.110 -4.182 4.232) 9.271 4.019 ( -1.209 -5.606 0.780) 5.787 4.135 ( 2.519 -0.877 10.085) 10.432 4.607 ( 0.309 10.650 -1.785) 10.803 4.693 ( -2.617 -3.708 -9.714) 10.722 4.816 ( 0.096 2.054 -4.456) 4.907 4.993 ( 1.197 1.540 0.175) 1.959 5.122 ( 3.936 0.706 -2.679) 4.814 5.247 ( -2.143 2.594 -5.716) 6.633 5.572 ( -2.577 -0.175 1.529) 3.002 5.669 ( 0.396 -4.882 7.316) 8.805 5.870 ( -0.488 0.230 9.474) 9.489 6.238 ( 2.064 10.522 -11.695) 15.867 6.338 ( 4.446 3.586 -8.930) 10.600 6.588 ( 3.043 -4.694 -7.195) 9.114 6.890 ( -11.675 3.617 16.387) 20.443 6.993 ( 0.991 13.670 5.444) 14.748 7.485 ( -0.160 3.410 4.492) 5.642 7.632 ( 0.892 7.626 7.569) 10.781 7.740 ( -1.612 15.272 -2.247) 15.520 8.488 ( -2.951 0.009 1.424) 3.277 8.923 ( -0.080 -7.113 7.981) 10.690 9.462 ( 0.946 1.448 -3.742) 4.123 9.714 ( 5.287 0.058 -9.759) 11.099 10.035 ( -2.780 6.250 -1.010) 6.915 10.352 ( -2.073 -2.046 -6.119) 6.777 10.549 ( 5.587 5.283 -0.006) 7.689 10.807 ( 0.074 6.594 -0.997) 6.670 11.065 ( -2.708 12.106 -5.210) 13.455 11.333 ( 0.087 12.386 2.991) 12.742 11.496 ( -0.510 23.079 -6.027) 23.859 12.283 ( 5.561 -4.231 -1.299) 7.107 12.560 ( -3.166 -0.998 2.123) 3.940 12.650 ( -5.409 5.159 2.233) 7.801 13.055 ( 9.407 11.492 -16.942) 22.530 13.768 ( -2.057 -5.141 -2.518) 6.083 14.520 ( -5.809 -15.778 11.216) 20.211 14.810 ( 1.744 -5.001 1.557) 5.520 15.052 ( 4.425 -2.990 3.652) 6.470 15.649 ( 0.239 8.418 4.213) 9.416 15.827 ( -2.483 3.656 1.770) 4.761 16.971 ( -3.363 -10.029 -4.047) 11.326 17.104 ( 3.687 -8.746 -1.380) 9.591 17.711 ( -2.408 17.195 -2.919) 17.607 19.364 ( 29.078 26.425 -46.464) 60.850 20.782 ( 2.381 -7.855 0.223) 8.211 21.324 ( -13.874 -13.565 5.939) 20.293 23.320 ( -0.820 -0.392 2.811) 2.954 23.873 ( -7.731 -16.271 26.390) 31.952 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 17.345 0.000 20.234) 26.650 1.444 ( 18.032 0.000 26.062) 31.692 2.113 ( 26.943 0.000 7.505) 27.969 2.631 ( 4.365 0.000 -16.439) 17.009 3.018 ( -9.632 -0.000 -2.340) 9.912 3.030 ( 1.537 0.000 -2.374) 2.828 3.254 ( 10.209 0.000 2.262) 10.456 3.340 ( 7.572 0.000 -1.291) 7.681 3.520 ( 0.550 0.000 0.860) 1.021 3.748 ( -5.309 -0.000 -0.242) 5.315 3.896 ( -5.486 -0.000 4.066) 6.828 3.981 ( 2.608 0.000 -5.205) 5.822 4.222 ( -6.201 -0.000 11.650) 13.198 4.317 ( -0.847 -0.000 -0.831) 1.187 4.377 ( -2.233 -0.000 -4.864) 5.352 4.487 ( -4.907 -0.000 -1.406) 5.105 4.703 ( -1.010 -0.000 6.081) 6.164 4.911 ( 7.867 0.000 -20.149) 21.630 5.059 ( 0.715 0.000 -1.023) 1.248 5.179 ( 6.244 0.000 0.238) 6.249 5.652 ( -2.935 -0.000 6.812) 7.417 5.671 ( 0.640 0.000 -11.883) 11.900 5.850 ( 2.053 0.000 -5.256) 5.643 6.085 ( -0.280 -0.000 8.325) 8.330 6.390 ( -5.206 -0.000 -5.153) 7.325 6.448 ( -16.971 -0.000 18.280) 24.943 6.590 ( -12.732 -0.000 0.770) 12.755 6.922 ( 8.678 0.000 3.301) 9.285 7.286 ( 0.144 0.000 -7.124) 7.126 7.497 ( 4.237 0.000 -5.023) 6.572 7.680 ( 10.255 0.000 9.279) 13.830 8.547 ( 0.457 0.000 7.172) 7.186 8.968 ( -9.015 -0.000 -1.708) 9.175 9.476 ( -0.185 -0.000 -7.687) 7.689 9.636 ( -4.260 -0.000 -9.864) 10.744 9.979 ( -1.566 -0.000 4.654) 4.910 10.198 ( 5.236 0.000 -5.625) 7.684 10.461 ( -0.299 -0.000 2.875) 2.891 10.668 ( -8.312 -0.000 -9.359) 12.517 10.681 ( 5.891 0.000 -0.431) 5.907 10.814 ( 8.643 0.000 -1.324) 8.743 11.006 ( -4.924 -0.000 -1.145) 5.056 12.256 ( 3.760 0.000 -10.230) 10.899 12.449 ( 0.221 0.000 3.372) 3.379 12.476 ( 4.105 0.000 -4.619) 6.179 13.320 ( 4.760 0.000 3.121) 5.692 14.034 ( 5.131 0.000 0.291) 5.139 14.732 ( 7.231 0.000 0.345) 7.239 14.775 ( -8.724 -0.000 11.092) 14.111 15.196 ( -3.159 -0.000 0.203) 3.166 15.416 ( -17.158 -0.000 -12.001) 20.939 16.076 ( 3.050 0.000 5.456) 6.251 16.909 ( -1.114 -0.000 -3.136) 3.328 17.004 ( -2.537 -0.000 2.836) 3.805 17.804 ( 19.479 0.000 -1.726) 19.555 19.550 ( 25.145 0.000 -39.242) 46.607 20.781 ( -11.718 -0.000 3.274) 12.167 21.456 ( 6.195 0.000 4.191) 7.480 23.371 ( 1.446 0.000 2.472) 2.864 23.935 ( -20.506 -0.000 24.342) 31.828 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 15.853 -15.988 14.866) 26.980 1.730 ( 15.841 -11.124 21.899) 29.227 2.351 ( 17.824 -4.936 -3.786) 18.879 2.729 ( 4.272 -9.672 -11.141) 15.360 2.951 ( -7.102 -2.511 -9.370) 12.022 3.018 ( -6.818 -3.592 -4.539) 8.943 3.317 ( 1.491 0.917 3.270) 3.709 3.450 ( 3.153 5.387 0.878) 6.303 3.527 ( 17.306 -0.797 9.128) 19.582 3.685 ( 2.074 1.945 -0.857) 2.970 3.826 ( -0.579 4.526 4.217) 6.213 3.957 ( -7.092 3.404 2.531) 8.264 4.130 ( 1.529 4.027 -1.843) 4.686 4.322 ( -3.656 -0.577 0.355) 3.718 4.418 ( -2.323 -3.809 0.587) 4.500 4.484 ( -3.730 -4.079 1.180) 5.651 4.700 ( -0.908 -0.471 4.074) 4.200 4.967 ( 10.294 -2.450 -19.996) 22.623 5.068 ( 3.879 0.372 -0.608) 3.944 5.297 ( 6.579 -6.413 -1.827) 9.367 5.594 ( -1.883 2.964 5.029) 6.134 5.760 ( 0.576 -9.082 -6.198) 11.010 5.866 ( -1.299 0.783 -1.454) 2.102 6.082 ( -4.116 -1.172 2.186) 4.805 6.293 ( -6.219 -2.355 2.443) 7.084 6.443 ( -15.820 2.813 4.288) 16.631 6.507 ( -9.422 -10.115 7.750) 15.848 7.061 ( 5.579 -7.781 2.403) 9.871 7.333 ( -0.031 -5.820 -7.075) 9.161 7.523 ( 5.412 -0.365 -7.348) 9.134 7.854 ( 11.304 -6.785 8.004) 15.423 8.453 ( -1.650 10.374 4.173) 11.303 8.885 ( -8.287 1.157 5.732) 10.142 9.499 ( -4.878 -0.879 -11.248) 12.291 9.656 ( -0.585 -11.117 -4.034) 11.841 9.960 ( -2.337 0.332 6.278) 6.707 10.270 ( 6.528 -2.309 -4.045) 8.019 10.578 ( -1.490 -8.132 -2.072) 8.524 10.582 ( -5.750 -3.220 -6.225) 9.065 10.769 ( 5.819 -5.664 2.051) 8.376 10.868 ( -5.503 -6.668 -2.041) 8.884 11.108 ( -4.042 -11.174 -0.541) 11.895 12.278 ( -1.164 -2.917 -6.437) 7.162 12.491 ( 1.499 -2.596 1.461) 3.335 12.527 ( 7.804 -2.314 -4.757) 9.428 13.327 ( 5.044 4.097 2.278) 6.886 14.004 ( 3.861 7.313 0.882) 8.317 14.618 ( -8.275 10.606 8.902) 16.131 14.841 ( 5.156 -3.694 1.440) 6.504 15.159 ( -4.401 7.456 -10.064) 13.276 15.266 ( -7.282 -6.434 -0.621) 9.737 15.986 ( 2.636 10.874 3.829) 11.826 17.065 ( -1.330 -15.661 -3.587) 16.122 17.121 ( -0.354 -13.146 2.734) 13.432 17.909 ( 18.129 4.526 -2.431) 18.843 19.556 ( 10.676 7.486 -29.079) 31.868 20.673 ( -9.420 2.577 2.231) 10.017 21.466 ( 6.698 5.623 1.497) 8.873 23.384 ( 1.366 0.571 2.755) 3.127 23.795 ( -13.848 4.879 19.702) 24.571 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 13.070 -13.098 12.012) 22.061 2.161 ( 13.321 -17.621 12.439) 25.351 2.528 ( 6.150 -5.750 -8.997) 12.322 2.912 ( -2.847 -8.998 -0.609) 9.457 2.974 ( -1.811 -7.668 -16.422) 18.214 3.072 ( 2.722 -7.630 -10.030) 12.893 3.269 ( 1.035 6.523 -0.074) 6.605 3.293 ( -4.395 10.747 1.218) 11.675 3.555 ( -2.342 1.622 2.732) 3.947 3.671 ( -2.973 3.814 6.351) 7.983 3.765 ( -2.143 4.384 5.850) 7.618 3.999 ( 6.270 2.968 0.744) 6.977 4.114 ( 19.038 -4.238 6.898) 20.688 4.298 ( -0.305 5.091 6.082) 7.938 4.358 ( -2.651 1.367 -1.903) 3.538 4.626 ( 0.367 -10.485 -0.953) 10.535 4.728 ( -8.309 -4.610 0.741) 9.531 5.008 ( 5.968 1.562 -4.551) 7.666 5.163 ( 11.507 -5.464 -11.129) 16.915 5.414 ( 0.249 -0.948 -3.003) 3.159 5.546 ( 1.919 2.668 7.794) 8.459 5.734 ( -4.011 6.726 0.161) 7.833 5.932 ( -3.825 -4.606 1.913) 6.286 6.089 ( -7.228 -4.496 -7.382) 11.267 6.315 ( -6.024 -3.968 4.754) 8.639 6.453 ( 0.169 -13.696 1.576) 13.788 6.662 ( -7.020 -12.544 6.722) 15.869 7.274 ( 2.387 -12.341 1.078) 12.616 7.387 ( 2.593 0.958 -4.502) 5.283 7.604 ( 0.604 -9.169 -9.852) 13.472 8.098 ( 10.619 -7.749 3.561) 13.619 8.245 ( -5.223 8.676 4.709) 11.168 8.832 ( -4.062 1.595 13.001) 13.714 9.407 ( -8.683 0.625 -11.326) 14.285 9.880 ( -0.097 -7.514 1.153) 7.603 10.007 ( 0.076 -10.151 0.263) 10.155 10.329 ( 9.806 2.691 -1.025) 10.220 10.522 ( -4.540 -1.767 -7.059) 8.577 10.786 ( 0.887 -10.397 -0.698) 10.458 10.939 ( -4.557 -13.052 -1.131) 13.871 11.103 ( -0.165 -20.927 5.018) 21.521 11.205 ( -8.743 -6.089 -6.005) 12.230 12.312 ( -1.106 -2.572 -0.266) 2.812 12.573 ( 1.793 -6.361 -2.785) 7.171 12.654 ( 3.302 -7.287 -0.321) 8.007 13.281 ( 5.508 5.844 0.934) 8.085 13.859 ( 2.854 11.831 0.503) 12.181 14.358 ( -8.223 12.664 5.302) 16.004 14.763 ( -1.603 13.045 -1.075) 13.187 15.121 ( 4.197 -2.823 -2.889) 5.825 15.364 ( -7.580 -9.611 -0.016) 12.240 15.831 ( 1.605 7.305 1.158) 7.569 17.328 ( 1.111 -12.513 -0.451) 12.570 17.421 ( 5.705 -15.906 0.852) 16.919 17.957 ( 15.406 1.731 -3.451) 15.882 19.335 ( -2.156 14.334 -18.966) 23.871 20.571 ( -5.240 2.369 0.168) 5.753 21.371 ( 5.046 10.391 -1.093) 11.603 23.386 ( 0.954 0.981 3.535) 3.791 23.653 ( -8.726 5.190 13.839) 17.164 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 9.908 -12.830 6.643) 17.519 2.541 ( 6.095 -11.741 3.726) 13.743 2.640 ( 2.722 -8.001 -6.441) 10.626 2.961 ( -3.699 1.427 -1.830) 4.367 3.014 ( -0.958 11.225 -4.140) 12.002 3.087 ( -9.594 -2.492 -1.466) 10.020 3.148 ( 4.274 0.972 -8.666) 9.711 3.247 ( 7.289 -6.184 -9.325) 13.354 3.490 ( -2.393 3.025 0.233) 3.864 3.647 ( 2.761 1.116 7.224) 7.814 3.711 ( -1.046 2.673 4.591) 5.414 3.887 ( -3.392 4.483 1.862) 5.922 4.147 ( 3.108 9.417 3.960) 10.678 4.362 ( -0.210 -4.344 0.671) 4.401 4.524 ( 21.048 -9.974 10.428) 25.519 4.655 ( -11.649 2.419 -2.423) 12.141 4.827 ( -1.432 -10.620 1.503) 10.821 5.059 ( 4.153 -3.917 -0.585) 5.739 5.278 ( -5.282 9.886 1.632) 11.327 5.337 ( 8.324 -6.173 -10.345) 14.643 5.529 ( 0.445 5.980 6.984) 9.205 5.668 ( 0.060 -2.095 -1.086) 2.360 5.861 ( -10.821 1.354 -4.808) 11.919 6.068 ( -2.678 -0.294 1.707) 3.189 6.463 ( 0.348 -8.760 1.045) 8.829 6.718 ( 3.566 -11.753 0.033) 12.282 6.828 ( -3.051 -8.168 6.178) 10.686 7.338 ( 4.238 5.237 -4.645) 8.183 7.552 ( 1.041 -17.131 -0.469) 17.169 7.738 ( -0.403 -4.437 -6.768) 8.103 8.076 ( -8.834 -2.165 0.253) 9.099 8.358 ( 7.744 -7.450 5.731) 12.179 8.837 ( -0.246 -0.722 15.967) 15.985 9.316 ( -7.279 -1.184 -10.570) 12.888 9.888 ( -8.132 0.306 3.121) 8.716 10.236 ( 3.319 -7.011 -6.320) 10.005 10.369 ( 15.058 0.210 -0.216) 15.061 10.555 ( -2.935 -6.426 -2.730) 7.574 10.957 ( 1.705 -7.464 0.789) 7.697 11.140 ( -5.187 -5.753 -5.370) 9.426 11.179 ( -7.627 -11.304 -8.544) 16.091 11.525 ( 0.761 -21.960 7.045) 23.075 12.322 ( -1.762 0.978 3.465) 4.009 12.756 ( 0.018 -11.566 1.257) 11.634 12.840 ( 1.794 -14.171 -1.668) 14.381 13.234 ( 4.521 3.475 0.381) 5.715 13.658 ( 1.497 12.222 -1.168) 12.369 14.081 ( -8.145 11.910 2.890) 14.715 14.501 ( 1.901 15.557 0.017) 15.672 15.066 ( -2.501 10.737 0.511) 11.036 15.512 ( -3.469 -12.842 -0.433) 13.310 15.816 ( -1.313 -5.016 -0.331) 5.196 17.396 ( 4.889 9.128 1.633) 10.483 17.697 ( 14.944 -4.924 -4.637) 16.403 18.197 ( 8.413 -18.010 0.550) 19.886 18.991 ( -11.973 11.546 -11.769) 20.376 20.510 ( -1.078 1.684 -1.527) 2.516 21.192 ( 2.720 12.271 -3.418) 13.025 23.382 ( 0.248 1.150 4.780) 4.923 23.542 ( -5.561 3.743 9.100) 11.303 ======================= Grid point 131 (55/172) ======================= q-point: ( 0.60 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 3.841 -1.451 -1.818) 4.490 2.626 ( -2.255 4.136 -1.843) 5.059 2.727 ( -4.372 -1.398 -2.835) 5.395 2.812 ( 0.235 10.280 3.767) 10.951 2.921 ( 5.980 -8.782 0.139) 10.625 3.094 ( -1.719 -3.200 -2.643) 4.492 3.194 ( 1.113 -0.791 -3.483) 3.741 3.336 ( 4.530 -1.275 -6.952) 8.395 3.482 ( 1.115 -3.919 -6.825) 7.949 3.614 ( 3.456 8.144 6.751) 11.128 3.650 ( -0.992 2.436 0.862) 2.768 3.875 ( -1.782 -2.119 4.537) 5.315 4.091 ( 4.519 0.430 1.625) 4.821 4.444 ( 3.930 -0.809 -2.873) 4.935 4.483 ( -11.317 1.204 1.263) 11.451 4.845 ( 10.231 -7.107 7.995) 14.802 4.931 ( -7.876 -2.930 7.843) 11.495 5.041 ( -2.426 11.569 2.545) 12.091 5.175 ( -0.297 -5.159 -0.310) 5.177 5.418 ( 0.001 0.991 -3.986) 4.107 5.487 ( 2.275 -2.709 1.966) 4.047 5.653 ( -4.482 2.013 -1.026) 5.020 5.841 ( 3.261 -3.758 -5.174) 7.178 6.059 ( -0.736 -0.218 -2.802) 2.906 6.582 ( -1.806 -5.377 3.267) 6.546 6.777 ( 5.601 7.075 -3.559) 9.700 7.003 ( -7.333 -12.855 5.727) 15.869 7.278 ( 7.271 5.170 -1.327) 9.020 7.626 ( -6.408 6.078 -0.813) 8.870 7.879 ( 7.240 -10.446 -1.604) 12.810 8.173 ( -6.765 -11.901 -0.317) 13.693 8.516 ( 4.054 -4.146 3.799) 6.932 8.898 ( -3.425 -2.302 11.752) 12.456 9.324 ( 0.896 -5.566 -6.866) 8.884 9.790 ( -9.208 2.693 2.321) 9.870 10.261 ( 4.346 2.767 -2.922) 5.923 10.508 ( 11.104 0.327 -1.461) 11.205 10.662 ( -1.803 -7.276 -1.940) 7.743 10.978 ( -0.219 3.579 -11.982) 12.507 11.205 ( 4.161 -9.541 -6.942) 12.512 11.396 ( -8.592 -16.785 0.223) 18.858 11.850 ( -0.185 -10.829 8.682) 13.881 12.264 ( -2.296 4.774 3.371) 6.279 12.869 ( 0.021 -0.533 3.255) 3.298 13.178 ( 7.662 -6.952 3.083) 10.796 13.305 ( -3.143 -21.117 -2.528) 21.499 13.474 ( -0.954 7.641 -2.748) 8.176 13.857 ( -4.614 7.059 2.421) 8.774 14.276 ( 3.706 11.685 1.211) 12.319 14.784 ( -3.575 16.201 -0.472) 16.598 15.739 ( -1.933 -15.142 0.570) 15.276 15.942 ( -3.896 -10.985 -0.620) 11.672 17.161 ( 5.305 20.445 -0.390) 21.125 17.678 ( 10.100 20.109 -5.328) 23.125 18.553 ( 1.238 -11.467 1.210) 11.597 18.882 ( -5.252 -15.316 -5.580) 17.126 20.483 ( 2.482 1.502 -3.057) 4.214 20.998 ( 0.154 8.940 -5.022) 10.255 23.367 ( -1.113 1.636 5.566) 5.907 23.483 ( -3.019 0.834 6.873) 7.553 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -3.269 20.441 3.182) 20.944 2.422 ( -0.296 18.516 3.176) 18.789 2.777 ( 3.564 -3.015 -5.740) 7.399 2.846 ( -0.517 -8.474 -5.171) 9.940 3.098 ( -1.563 -3.470 -2.446) 4.524 3.133 ( 6.591 -3.106 -1.412) 7.422 3.237 ( 0.621 -5.288 4.089) 6.713 3.365 ( 0.897 -1.226 -4.064) 4.339 3.481 ( 0.786 5.066 0.737) 5.179 3.590 ( 2.797 -3.568 -6.239) 7.712 3.624 ( -3.463 -0.531 3.142) 4.706 3.868 ( -1.975 1.708 3.700) 4.528 4.149 ( 1.019 -0.845 2.021) 2.416 4.351 ( 0.858 2.236 -5.749) 6.228 4.562 ( -0.850 -2.792 -1.247) 3.174 4.726 ( 0.261 14.291 3.569) 14.732 4.903 ( -5.692 0.655 13.452) 14.621 5.069 ( 0.455 -4.495 5.818) 7.366 5.174 ( -4.892 -0.000 0.374) 4.906 5.437 ( 0.500 1.822 -2.568) 3.188 5.487 ( -0.651 -0.503 -2.853) 2.969 5.659 ( 0.878 -3.195 -0.529) 3.355 5.891 ( 2.030 0.981 -1.481) 2.697 6.096 ( 5.140 -4.990 -9.127) 11.602 6.615 ( -3.727 4.411 0.084) 5.775 6.678 ( 2.228 1.366 1.951) 3.261 7.060 ( -5.008 1.288 -3.868) 6.458 7.317 ( 2.405 -3.159 8.653) 9.520 7.463 ( -2.353 6.516 2.665) 7.423 8.040 ( 5.688 -2.331 -0.760) 6.193 8.272 ( -3.630 -2.622 -1.527) 4.732 8.596 ( 2.224 -0.970 4.430) 5.050 8.886 ( -7.106 0.868 6.709) 9.811 9.440 ( 5.508 -3.396 -5.536) 8.516 9.703 ( -5.497 -0.031 3.704) 6.628 10.242 ( 3.262 1.840 0.777) 3.825 10.491 ( 2.018 6.258 -3.905) 7.648 10.736 ( -0.921 -2.418 -0.484) 2.632 10.894 ( 7.708 4.647 -17.707) 19.863 11.425 ( 3.066 -12.894 -6.335) 14.690 11.643 ( -6.569 -18.181 2.263) 19.464 11.917 ( -0.948 3.941 8.070) 9.031 12.109 ( -1.704 12.764 2.761) 13.170 12.793 ( 0.455 9.435 2.421) 9.752 13.188 ( -1.398 5.552 4.414) 7.229 13.385 ( -1.451 1.268 -0.909) 2.130 13.723 ( 4.141 -10.863 -2.014) 11.798 13.863 ( -3.259 -16.053 1.907) 16.491 14.204 ( 6.257 -0.110 1.570) 6.452 14.517 ( -4.684 6.891 -0.505) 8.347 16.010 ( -0.784 -15.862 1.220) 15.928 16.117 ( -2.000 -11.361 -1.472) 11.629 16.811 ( 3.090 21.380 -1.632) 21.664 17.219 ( -1.225 30.084 -3.801) 30.348 18.623 ( -1.230 2.539 1.068) 3.016 19.254 ( 4.805 -21.635 -5.873) 22.927 20.482 ( 4.985 0.745 -4.763) 6.935 20.891 ( -2.636 0.268 -4.812) 5.493 23.337 ( -1.794 1.441 4.612) 5.154 23.494 ( -1.978 -2.060 8.332) 8.808 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 2.699 23.148 6.677) 24.242 2.066 ( 1.107 22.835 8.525) 24.400 2.826 ( 4.469 0.356 -6.649) 8.020 2.985 ( 2.788 -5.993 -6.898) 9.554 3.052 ( -1.479 1.378 -4.770) 5.181 3.225 ( 4.503 -0.232 -0.789) 4.577 3.368 ( -3.560 -0.671 -2.293) 4.287 3.395 ( 0.624 -9.716 3.742) 10.430 3.476 ( -1.854 -5.489 -1.405) 5.961 3.543 ( -1.656 4.454 -4.204) 6.345 3.702 ( -1.105 -6.028 3.157) 6.894 3.810 ( -0.920 6.231 5.853) 8.599 4.114 ( -2.626 3.363 1.274) 4.453 4.227 ( -1.262 20.541 7.964) 22.067 4.430 ( -0.203 -4.180 -7.879) 8.921 4.751 ( 3.022 -5.545 -4.868) 7.973 4.936 ( 2.208 -1.292 10.921) 11.217 5.053 ( -1.563 3.940 1.418) 4.470 5.171 ( -0.523 0.418 -0.716) 0.980 5.350 ( -3.658 3.506 0.878) 5.142 5.500 ( -2.679 -1.517 -2.998) 4.297 5.663 ( -0.365 1.862 -5.079) 5.422 5.903 ( 3.914 0.437 5.375) 6.664 6.242 ( 6.954 -7.432 -11.132) 15.083 6.475 ( -1.582 5.963 -2.459) 6.641 6.674 ( -0.169 3.213 -1.266) 3.458 6.953 ( -6.350 3.425 3.634) 8.079 7.317 ( 0.527 4.729 6.022) 7.675 7.457 ( 0.031 -2.617 6.070) 6.610 8.050 ( 4.558 6.608 2.970) 8.560 8.190 ( -2.926 7.432 -3.403) 8.683 8.586 ( -1.845 4.005 3.265) 5.487 8.821 ( -5.152 0.951 8.235) 9.761 9.478 ( 4.488 0.727 -6.058) 7.574 9.714 ( 0.560 -1.291 2.076) 2.508 10.264 ( 2.039 -1.275 1.705) 2.949 10.339 ( -1.200 9.010 -6.553) 11.206 10.729 ( 1.199 2.723 -1.775) 3.464 10.862 ( 5.938 1.577 -13.241) 14.596 11.639 ( -1.656 -10.116 -8.002) 13.004 11.753 ( -3.236 13.934 4.282) 14.932 11.820 ( 0.840 15.772 3.638) 16.208 11.947 ( -1.086 -16.332 4.449) 16.962 12.592 ( 1.405 13.341 3.819) 13.948 13.020 ( -2.527 11.777 5.378) 13.191 13.379 ( 0.986 -0.206 -1.519) 1.822 13.779 ( 3.004 6.317 -9.290) 11.629 14.031 ( -7.684 -10.382 4.130) 13.561 14.418 ( 6.368 -11.675 5.887) 14.544 14.616 ( -2.561 -20.173 0.759) 20.349 16.107 ( -1.812 8.023 -4.776) 9.511 16.290 ( 0.342 0.480 3.077) 3.133 16.572 ( 1.136 -0.012 -1.305) 1.730 16.780 ( 1.752 10.148 -2.839) 10.682 18.442 ( -1.522 16.515 1.039) 16.617 19.582 ( 6.256 -11.454 -14.221) 19.301 20.529 ( 4.260 -3.496 -4.456) 7.087 20.922 ( -4.268 -7.269 -2.137) 8.696 23.316 ( -1.308 0.483 3.764) 4.014 23.556 ( -2.904 -4.632 11.675) 12.892 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 13.539 22.008 10.320) 27.824 1.705 ( 4.342 22.703 13.931) 26.988 2.738 ( -1.343 11.687 -7.828) 14.130 2.952 ( 8.300 5.517 -8.047) 12.809 3.128 ( 1.886 6.102 -1.419) 6.543 3.215 ( 3.871 -1.214 -1.093) 4.202 3.313 ( -9.676 -0.396 5.315) 11.047 3.412 ( 1.888 6.881 -7.689) 10.489 3.571 ( -1.007 1.782 -0.534) 2.116 3.601 ( -0.523 -9.379 2.321) 9.677 3.628 ( -1.455 0.126 1.725) 2.260 3.821 ( -0.855 -6.790 3.248) 7.575 3.945 ( -4.471 4.612 5.084) 8.192 4.123 ( -1.623 -2.799 6.839) 7.566 4.532 ( -2.351 -7.401 -7.527) 10.814 4.796 ( 1.142 3.680 -4.939) 6.264 4.872 ( 2.093 8.440 -3.364) 9.324 5.045 ( 4.611 0.878 4.049) 6.199 5.160 ( 1.394 0.881 -2.487) 2.984 5.252 ( -3.977 2.618 -2.844) 5.547 5.542 ( -0.011 -4.859 2.250) 5.354 5.613 ( -2.352 0.646 -0.794) 2.565 5.923 ( 2.180 2.035 8.013) 8.550 6.352 ( 2.420 1.414 -9.645) 10.044 6.409 ( 6.153 0.522 -8.800) 10.750 6.566 ( 0.317 4.723 -6.120) 7.737 6.872 ( -9.638 1.769 12.855) 16.163 7.239 ( 4.915 9.170 5.901) 11.961 7.485 ( -3.584 -0.706 3.934) 5.368 7.890 ( 2.402 14.119 7.384) 16.114 7.990 ( -0.424 12.989 -2.881) 13.312 8.474 ( -6.160 3.478 0.790) 7.118 8.839 ( -3.332 -4.055 9.919) 11.222 9.491 ( 6.087 0.720 -4.217) 7.440 9.748 ( 4.946 -0.176 -3.506) 6.065 10.144 ( -3.093 8.859 -7.565) 12.053 10.305 ( 0.610 -0.978 0.161) 1.163 10.676 ( 3.073 4.352 -0.467) 5.348 10.847 ( 1.291 1.105 -9.031) 9.190 11.358 ( -4.511 22.030 0.758) 22.500 11.557 ( -2.750 12.832 3.894) 13.689 11.731 ( -2.052 4.359 -8.701) 9.945 12.201 ( -0.707 -8.902 9.099) 12.749 12.483 ( 6.982 -0.345 1.487) 7.147 12.800 ( -2.958 11.494 5.417) 13.046 13.303 ( 3.774 11.987 -11.574) 17.085 13.664 ( -3.459 -1.681 -6.384) 7.453 14.227 ( -4.794 -14.355 7.779) 17.017 14.679 ( 0.617 -13.064 6.596) 14.648 14.939 ( 0.188 -12.957 0.735) 12.979 15.847 ( 1.469 13.475 -5.150) 14.500 15.992 ( -9.831 17.706 3.640) 20.576 16.798 ( 12.052 -10.436 -2.571) 16.148 16.923 ( 7.574 -14.976 -1.014) 16.813 18.067 ( -2.023 23.050 -0.778) 23.152 19.657 ( 6.509 3.004 -27.546) 28.463 20.650 ( 0.312 -7.987 -1.232) 8.087 21.048 ( -3.817 -10.219 1.925) 11.077 23.316 ( -0.479 -0.247 3.302) 3.346 23.665 ( -5.594 -8.069 16.759) 19.423 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 17.777 0.000 16.879) 24.514 1.821 ( 14.934 0.000 22.835) 27.284 2.439 ( 13.452 0.000 -5.133) 14.398 2.627 ( -0.033 -0.000 -9.741) 9.741 2.874 ( -2.895 -0.000 -7.410) 7.956 2.901 ( -5.358 -0.000 -10.649) 11.921 3.349 ( 2.088 0.000 1.855) 2.793 3.530 ( 0.050 0.000 4.677) 4.677 3.656 ( 2.521 0.000 5.293) 5.863 3.740 ( 5.879 0.000 3.410) 6.797 3.920 ( -9.141 -0.000 2.051) 9.369 3.940 ( 19.091 0.000 5.799) 19.952 4.173 ( -1.139 -0.000 -4.750) 4.884 4.250 ( -2.193 -0.000 -0.144) 2.197 4.335 ( -3.498 -0.000 -1.506) 3.809 4.424 ( -3.744 -0.000 1.529) 4.044 4.740 ( 0.874 0.000 9.503) 9.543 4.996 ( 14.786 0.000 -23.105) 27.431 5.119 ( 7.150 0.000 -0.160) 7.152 5.268 ( 5.099 0.000 -0.973) 5.191 5.623 ( -4.349 -0.000 5.443) 6.967 5.645 ( 1.596 0.000 -6.362) 6.559 5.861 ( 0.667 0.000 -1.651) 1.781 6.011 ( -12.484 -0.000 -1.449) 12.568 6.257 ( -11.180 -0.000 0.793) 11.208 6.274 ( -13.680 -0.000 14.870) 20.205 6.383 ( -11.577 -0.000 5.614) 12.867 7.036 ( 3.775 0.000 1.772) 4.170 7.264 ( 2.486 0.000 -10.212) 10.510 7.577 ( 8.973 0.000 -7.307) 11.572 7.895 ( 11.414 0.000 5.778) 12.793 8.586 ( 0.009 0.000 5.135) 5.135 8.807 ( -11.137 -0.000 3.606) 11.706 9.468 ( 3.661 0.000 -6.547) 7.501 9.508 ( -5.261 -0.000 -4.531) 6.943 9.940 ( -6.803 -0.000 7.415) 10.063 10.249 ( 3.407 0.000 -4.951) 6.010 10.463 ( -0.585 -0.000 0.332) 0.673 10.511 ( -5.671 -0.000 -7.796) 9.640 10.748 ( 0.748 0.000 0.621) 0.972 10.883 ( -0.308 -0.000 3.262) 3.276 10.924 ( -2.197 -0.000 -1.748) 2.807 12.231 ( -0.535 -0.000 -5.817) 5.841 12.482 ( 1.885 0.000 3.420) 3.905 12.586 ( 11.222 0.000 -7.442) 13.466 13.404 ( 3.948 0.000 2.493) 4.669 14.095 ( 1.995 0.000 1.332) 2.399 14.668 ( -10.490 -0.000 8.280) 13.364 14.855 ( 7.501 0.000 0.619) 7.526 15.140 ( -3.829 -0.000 -0.098) 3.830 15.186 ( -4.119 -0.000 -13.599) 14.209 16.143 ( 1.997 0.000 4.843) 5.239 16.867 ( -2.227 -0.000 -3.375) 4.044 16.983 ( -1.714 -0.000 3.017) 3.470 18.089 ( 16.945 0.000 -2.287) 17.099 19.656 ( 9.161 0.000 -26.181) 27.737 20.624 ( -9.165 -0.000 1.826) 9.345 21.574 ( 6.441 0.000 0.782) 6.488 23.407 ( 1.420 0.000 2.860) 3.193 23.771 ( -13.062 -0.000 18.100) 22.321 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 14.311 -12.296 12.181) 22.458 2.044 ( 11.064 -8.406 18.393) 23.052 2.499 ( 2.839 -0.885 -6.907) 7.520 2.671 ( -8.534 -9.574 -2.432) 13.054 2.881 ( 6.034 -2.680 -12.957) 14.542 2.939 ( 5.282 -6.802 -10.654) 13.699 3.341 ( -1.196 2.440 1.004) 2.897 3.468 ( 0.182 8.188 4.739) 9.462 3.600 ( -1.562 4.720 1.249) 5.127 3.734 ( -1.197 3.679 3.725) 5.371 3.811 ( -7.717 3.064 5.707) 10.075 4.060 ( 0.388 0.731 -3.278) 3.380 4.224 ( 7.289 -3.315 4.220) 9.051 4.320 ( -3.574 -2.871 -6.522) 7.972 4.342 ( 16.784 -0.793 3.925) 17.255 4.449 ( -0.655 -6.545 1.526) 6.753 4.734 ( 0.880 3.806 10.365) 11.077 5.062 ( 10.171 0.426 -13.607) 16.994 5.190 ( 12.958 -0.783 -5.693) 14.175 5.366 ( 2.715 -4.678 -2.416) 5.924 5.584 ( -2.331 0.585 5.926) 6.394 5.763 ( 1.356 -11.024 -1.610) 11.223 5.793 ( -11.126 5.020 -0.103) 12.207 5.919 ( -11.319 -3.043 -4.317) 12.491 6.226 ( -7.274 -7.901 4.136) 11.509 6.246 ( -7.864 -1.851 9.159) 12.213 6.385 ( -9.721 -9.334 6.486) 14.956 7.119 ( 0.584 -6.876 1.121) 6.991 7.316 ( 3.300 -5.098 -10.231) 11.897 7.606 ( 8.807 2.781 -7.965) 12.196 8.057 ( 9.992 -6.734 2.649) 12.337 8.427 ( -3.335 12.962 2.131) 13.553 8.794 ( -8.278 -3.423 9.088) 12.761 9.379 ( -2.459 4.393 -5.801) 7.681 9.679 ( 4.143 -14.069 -0.989) 14.700 9.898 ( -7.892 -0.728 6.092) 9.996 10.358 ( 5.599 -7.572 -4.088) 10.266 10.459 ( -4.425 -1.180 -6.201) 7.709 10.560 ( -1.717 -10.706 -0.301) 10.847 10.729 ( -6.176 -1.351 -1.091) 6.415 10.908 ( 5.323 -6.984 4.633) 9.929 11.020 ( -5.488 -6.922 -1.974) 9.052 12.239 ( -0.416 -2.633 -3.524) 4.418 12.533 ( 2.306 -2.725 2.791) 4.531 12.641 ( 8.529 1.082 -5.966) 10.465 13.405 ( 3.392 3.475 1.769) 5.168 14.047 ( 0.925 6.819 1.303) 7.004 14.504 ( -8.895 9.863 4.422) 13.998 14.916 ( 3.813 2.751 0.527) 4.731 15.101 ( 0.854 0.805 -7.088) 7.185 15.179 ( -2.824 -5.930 -1.842) 6.821 16.034 ( 1.179 11.565 3.219) 12.062 17.029 ( -1.286 -17.294 -2.952) 17.591 17.121 ( -1.046 -15.546 3.298) 15.926 18.162 ( 14.401 5.024 -3.386) 15.623 19.552 ( 3.792 11.705 -20.416) 23.837 20.552 ( -6.450 0.873 0.533) 6.530 21.564 ( 5.123 6.503 -0.254) 8.282 23.418 ( 1.171 0.707 3.485) 3.743 23.685 ( -9.916 3.088 14.296) 17.670 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 7.855 -10.942 6.814) 15.095 2.353 ( 1.548 -13.795 8.686) 16.376 2.532 ( 3.636 -4.639 -7.654) 9.661 2.795 ( -8.543 -11.836 0.460) 14.604 2.972 ( 7.082 -3.278 -11.121) 13.586 3.133 ( 9.471 -9.064 -11.272) 17.289 3.201 ( -4.976 10.319 0.693) 11.477 3.308 ( 1.746 9.874 0.196) 10.029 3.534 ( -1.633 2.816 3.179) 4.550 3.667 ( -0.831 0.559 4.177) 4.295 3.764 ( -0.167 1.953 8.263) 8.492 3.960 ( -5.466 5.940 -0.432) 8.084 4.277 ( -3.368 2.565 -2.809) 5.081 4.312 ( 0.325 -3.092 1.921) 3.655 4.501 ( -1.034 -5.644 -4.892) 7.540 4.669 ( 23.007 -4.596 3.756) 23.760 4.710 ( 2.202 0.294 10.867) 11.092 5.075 ( 3.933 1.719 -3.283) 5.404 5.310 ( 9.225 -2.177 -8.481) 12.719 5.371 ( -0.226 2.937 0.616) 3.010 5.565 ( -21.507 4.150 -0.963) 21.925 5.629 ( 3.475 -3.331 4.067) 6.302 5.802 ( -4.136 0.890 -0.809) 4.307 6.026 ( -0.997 -4.425 1.857) 4.902 6.291 ( 0.015 -10.808 2.117) 11.013 6.448 ( -3.961 -14.951 5.906) 16.556 6.582 ( -4.337 -18.931 3.361) 19.710 7.291 ( -0.618 -12.365 -0.106) 12.381 7.403 ( 2.275 -2.864 -6.481) 7.441 7.611 ( 5.949 -0.873 -10.108) 11.761 8.149 ( -1.796 9.710 -1.315) 9.962 8.300 ( 5.461 -6.019 5.772) 9.968 8.804 ( -8.327 -2.822 10.087) 13.381 9.287 ( 0.659 3.305 -3.300) 4.717 9.839 ( -6.647 -0.205 4.947) 8.289 10.016 ( 3.259 -17.340 -4.396) 18.183 10.438 ( -2.935 -1.787 -4.496) 5.659 10.489 ( 8.943 -0.369 -0.115) 8.952 10.788 ( -0.149 -13.244 0.226) 13.247 10.808 ( -7.293 -15.060 -3.387) 17.072 11.046 ( -6.545 -3.988 -7.793) 10.930 11.194 ( 4.971 -17.751 8.304) 20.218 12.291 ( -0.875 -3.420 -0.944) 3.654 12.607 ( 3.455 -3.321 -1.776) 5.111 12.694 ( 1.292 -4.896 0.470) 5.086 13.358 ( 3.153 4.921 1.220) 5.970 13.889 ( 0.672 11.604 0.354) 11.629 14.242 ( -6.866 12.734 1.280) 14.523 14.778 ( 3.167 13.060 -0.522) 13.448 15.117 ( -4.087 -0.584 -0.986) 4.245 15.304 ( 0.845 -9.428 -1.151) 9.536 15.857 ( 0.908 8.335 1.336) 8.490 17.340 ( 0.681 -15.944 1.444) 16.024 17.479 ( 1.314 -22.556 0.837) 22.609 18.159 ( 11.070 3.613 -4.915) 12.639 19.225 ( -1.915 20.930 -15.068) 25.860 20.504 ( -2.911 0.214 -0.973) 3.077 21.433 ( 3.640 11.826 -1.394) 12.452 23.417 ( 0.697 1.220 4.572) 4.783 23.582 ( -6.927 3.809 10.053) 12.789 ======================= Grid point 141 (62/172) ======================= q-point: ( 0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -1.243 -12.530 -0.531) 12.603 2.502 ( -0.755 -6.334 -4.152) 7.611 2.735 ( 5.650 -9.531 0.918) 11.118 2.904 ( -4.564 10.082 0.317) 11.072 2.935 ( -4.160 -8.326 1.211) 9.385 3.025 ( 1.681 7.334 -4.089) 8.564 3.207 ( 7.062 0.942 -8.318) 10.953 3.326 ( 7.331 -4.632 -7.611) 11.538 3.460 ( -1.628 3.144 1.519) 3.853 3.701 ( -1.042 3.105 2.226) 3.960 3.755 ( 3.623 0.306 7.767) 8.576 3.843 ( -2.612 1.663 6.372) 7.085 4.178 ( -1.954 4.618 1.074) 5.128 4.340 ( -3.172 -0.986 -1.124) 3.507 4.507 ( -2.572 -0.731 -3.577) 4.466 4.809 ( -2.071 -5.438 5.536) 8.031 4.899 ( 17.563 -0.921 5.335) 18.378 5.081 ( -2.941 -2.426 -0.114) 3.815 5.223 ( -1.089 8.207 1.232) 8.370 5.365 ( -14.201 -1.630 -1.498) 14.373 5.452 ( 6.412 -2.987 -1.475) 7.226 5.706 ( 2.003 2.581 5.924) 6.766 5.782 ( 2.703 -2.995 -5.483) 6.807 6.030 ( -2.803 -0.530 -0.357) 2.875 6.477 ( 0.276 -7.239 2.174) 7.563 6.684 ( -6.864 -15.175 4.731) 17.314 6.868 ( 4.526 -6.948 -0.049) 8.292 7.395 ( 4.026 1.971 -3.887) 5.933 7.531 ( -1.289 -11.398 -1.052) 11.519 7.751 ( 3.789 -13.467 -7.902) 16.068 7.979 ( -2.986 4.604 4.696) 7.222 8.458 ( 1.473 -6.163 1.207) 6.451 8.806 ( -10.185 -3.453 6.504) 12.568 9.292 ( 7.572 -1.065 1.067) 7.721 9.776 ( -6.502 1.916 2.815) 7.340 10.291 ( 6.579 -7.200 -6.652) 11.806 10.461 ( -4.657 -7.198 -2.175) 8.845 10.565 ( 4.913 -1.331 0.690) 5.137 10.936 ( -3.127 -6.930 -4.312) 8.741 11.052 ( -3.872 -11.365 -1.960) 12.166 11.087 ( 3.485 -9.433 -9.594) 13.899 11.596 ( 2.548 -19.886 10.562) 22.660 12.295 ( -2.889 1.302 0.904) 3.295 12.773 ( 1.526 -10.904 1.015) 11.057 12.844 ( -0.141 -14.754 -0.638) 14.769 13.296 ( 1.497 4.415 1.280) 4.835 13.672 ( 1.277 13.184 -1.194) 13.299 13.982 ( -4.586 11.017 0.552) 11.946 14.552 ( 2.943 14.976 1.542) 15.340 14.992 ( -4.789 10.186 -1.434) 11.347 15.497 ( 0.622 -11.821 0.451) 11.846 15.805 ( 0.129 -1.931 0.318) 1.962 17.462 ( 2.094 6.817 4.201) 8.277 17.851 ( 6.821 -12.780 -4.784) 15.256 18.308 ( 4.374 -14.742 -1.236) 15.426 18.784 ( -6.732 17.083 -11.281) 21.550 20.490 ( -0.358 -0.320 -2.470) 2.516 21.220 ( 2.885 14.096 -2.524) 14.608 23.405 ( -0.375 1.861 5.912) 6.209 23.499 ( -4.271 2.366 6.699) 8.290 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 -0.70 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 1.697 8.398 -0.215) 8.570 2.563 ( -6.997 -11.985 -7.056) 15.569 2.656 ( 1.187 7.492 -0.414) 7.597 2.859 ( 2.468 7.413 2.482) 8.198 2.965 ( -0.711 -9.031 -1.194) 9.137 3.072 ( 0.769 -6.609 0.175) 6.655 3.222 ( 2.089 1.552 -1.257) 2.890 3.382 ( 4.705 0.946 -6.334) 7.947 3.471 ( 2.465 -4.773 -7.506) 9.230 3.597 ( -3.125 4.627 1.426) 5.763 3.727 ( 2.468 8.517 8.439) 12.241 3.854 ( -3.111 -0.928 1.014) 3.401 4.137 ( -0.900 -0.701 3.683) 3.855 4.357 ( -2.737 -4.405 -0.363) 5.198 4.494 ( 4.286 1.092 -5.854) 7.337 4.825 ( -9.443 -1.392 9.652) 13.574 5.005 ( -7.474 1.569 4.873) 9.059 5.037 ( 8.596 3.885 4.637) 10.511 5.129 ( -0.780 1.127 0.632) 1.509 5.415 ( 2.484 -6.664 -1.057) 7.190 5.533 ( 2.658 0.074 2.432) 3.604 5.621 ( -0.358 4.231 -1.609) 4.541 5.881 ( 3.328 -3.706 -3.150) 5.894 6.031 ( -0.213 -2.542 -5.608) 6.161 6.563 ( -2.777 -3.105 3.719) 5.584 6.805 ( -0.980 2.460 -3.481) 4.374 6.934 ( -1.565 -5.854 2.332) 6.493 7.376 ( 3.032 3.297 0.648) 4.526 7.576 ( 1.607 4.412 1.410) 4.903 8.006 ( 7.153 -5.772 3.432) 9.812 8.057 ( -5.874 -16.017 -3.999) 17.522 8.555 ( -1.746 -5.305 1.439) 5.767 8.792 ( -10.408 -3.271 3.478) 11.451 9.431 ( 11.145 -4.407 1.917) 12.137 9.697 ( -3.620 2.557 2.145) 4.924 10.324 ( 4.056 3.748 -0.288) 5.530 10.539 ( -5.188 -1.285 -6.544) 8.450 10.628 ( -0.654 -5.945 -1.418) 6.147 10.990 ( 6.840 0.120 -11.057) 13.002 11.206 ( -0.586 -10.926 -7.064) 13.024 11.313 ( 0.202 -14.439 0.170) 14.442 11.904 ( 1.222 -8.718 11.040) 14.120 12.232 ( -3.203 3.359 1.852) 4.997 12.881 ( -0.471 -1.090 3.419) 3.619 13.218 ( -6.083 -3.111 0.005) 6.833 13.283 ( 3.034 -23.556 -0.962) 23.770 13.481 ( 3.987 9.030 -1.316) 9.958 13.817 ( -1.852 4.491 1.695) 5.145 14.341 ( 2.148 10.325 3.582) 11.137 14.714 ( -3.088 15.998 -3.329) 16.630 15.738 ( 1.035 -14.750 1.546) 14.867 15.910 ( 0.372 -9.117 -0.661) 9.148 17.219 ( 1.728 20.466 1.121) 20.569 17.758 ( 2.780 27.054 -5.416) 27.730 18.514 ( -4.577 -10.742 -2.173) 11.877 18.841 ( 1.494 -23.260 -3.781) 23.613 20.489 ( -0.073 -0.438 -4.116) 4.139 21.005 ( 3.586 11.499 -3.616) 12.577 23.369 ( -1.800 2.455 5.633) 6.403 23.473 ( -2.064 -0.408 6.405) 6.742 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 6.535 19.027 4.909) 20.708 2.458 ( 2.458 17.450 3.979) 18.066 2.731 ( -4.369 -13.072 -7.039) 15.477 2.855 ( 3.015 -1.830 -3.988) 5.324 3.044 ( -4.226 -3.649 -3.760) 6.731 3.207 ( 2.765 -4.247 1.467) 5.275 3.249 ( -2.090 -6.141 3.994) 7.618 3.377 ( 3.922 1.595 -5.783) 7.168 3.458 ( -2.107 5.068 -2.431) 6.003 3.594 ( -2.746 5.343 4.395) 7.443 3.609 ( 2.217 -5.048 -4.503) 7.119 3.836 ( -2.692 -0.212 0.799) 2.816 4.128 ( -4.629 1.536 2.374) 5.424 4.373 ( 4.929 1.997 -6.512) 8.407 4.546 ( -0.983 -1.087 -0.689) 1.620 4.765 ( 1.524 9.527 6.838) 11.826 4.905 ( -1.735 -2.084 13.341) 13.614 5.054 ( -4.750 -2.714 5.548) 7.792 5.164 ( 4.020 -0.390 -0.236) 4.046 5.430 ( -0.242 7.461 -1.828) 7.685 5.503 ( 3.172 1.080 -3.436) 4.799 5.638 ( -2.015 -2.803 -3.032) 4.595 5.930 ( 2.884 -1.315 0.881) 3.290 6.121 ( 3.001 -7.616 -9.909) 12.853 6.537 ( -5.315 3.132 1.107) 6.268 6.724 ( 2.015 3.779 1.216) 4.452 6.978 ( -2.726 0.691 -3.383) 4.400 7.356 ( -1.068 -0.090 7.535) 7.611 7.519 ( 6.014 5.210 3.206) 8.579 8.130 ( 3.654 -1.803 4.320) 5.938 8.180 ( -5.392 -3.510 -5.140) 8.235 8.613 ( -1.792 -1.076 3.367) 3.963 8.773 ( -8.847 -2.117 4.026) 9.948 9.560 ( 11.215 1.908 -3.677) 11.956 9.677 ( -0.618 -3.007 4.405) 5.369 10.278 ( -0.999 2.653 0.019) 2.835 10.455 ( -1.013 4.827 -4.962) 6.997 10.686 ( -4.013 -3.288 -3.167) 6.079 10.982 ( 9.587 5.215 -11.081) 15.553 11.383 ( -3.643 -12.637 -8.584) 15.705 11.605 ( 0.991 -16.565 2.267) 16.748 11.951 ( 0.312 5.248 7.937) 9.520 12.107 ( -0.246 10.432 2.924) 10.837 12.813 ( 0.359 8.629 2.869) 9.100 13.145 ( -4.874 3.546 2.631) 6.576 13.404 ( 3.173 3.615 0.182) 4.813 13.739 ( -2.509 -17.977 -3.485) 18.483 13.817 ( -1.325 -5.699 3.208) 6.673 14.312 ( 1.871 -4.387 5.743) 7.465 14.439 ( -1.067 7.010 -4.384) 8.336 16.003 ( -0.238 -11.135 0.387) 11.144 16.121 ( 2.773 -14.352 -0.849) 14.642 16.844 ( 1.180 21.645 -0.425) 21.681 17.212 ( 2.864 30.110 -4.163) 30.531 18.593 ( -2.445 1.171 -0.089) 2.712 19.260 ( -0.788 -22.341 -5.410) 23.001 20.485 ( -1.997 -1.503 -4.782) 5.396 20.891 ( 5.295 3.863 -4.714) 8.073 23.331 ( -1.432 1.412 4.657) 5.073 23.497 ( -2.349 -2.305 8.209) 8.844 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 15.085 19.615 7.121) 25.749 2.154 ( 4.811 20.818 8.631) 23.044 2.848 ( 1.776 3.037 -6.096) 7.039 2.937 ( -4.679 -12.680 -4.105) 14.126 3.056 ( 1.933 -1.218 -5.367) 5.833 3.222 ( -2.907 1.336 0.317) 3.215 3.318 ( -1.942 2.730 -5.677) 6.592 3.400 ( 0.142 -8.086 0.763) 8.123 3.448 ( -0.703 -6.179 0.487) 6.238 3.509 ( -0.805 3.298 -3.939) 5.200 3.701 ( -0.047 -4.548 -0.581) 4.586 3.811 ( -1.804 2.774 6.374) 7.181 4.051 ( -5.073 1.512 1.157) 5.419 4.276 ( 2.262 23.947 11.166) 26.520 4.405 ( 1.213 -3.365 -7.342) 8.167 4.781 ( 2.203 -3.671 -1.677) 4.598 5.039 ( 0.066 -6.113 13.033) 14.395 5.049 ( 3.103 5.618 0.326) 6.426 5.170 ( 1.682 0.830 -1.816) 2.611 5.311 ( -1.332 5.176 -3.812) 6.565 5.456 ( -1.482 0.179 -2.556) 2.960 5.626 ( -0.569 1.213 -4.526) 4.720 5.985 ( 3.051 0.090 4.708) 5.611 6.256 ( -0.736 -7.864 -9.314) 12.212 6.458 ( 2.565 2.027 -3.395) 4.714 6.667 ( -0.055 5.151 -1.347) 5.324 6.898 ( -2.065 4.411 4.187) 6.423 7.379 ( -0.081 -0.094 6.496) 6.497 7.491 ( 4.186 4.160 2.707) 6.493 8.088 ( -5.715 6.248 -0.605) 8.489 8.149 ( 3.327 4.678 2.688) 6.338 8.538 ( -4.347 7.527 1.375) 8.800 8.758 ( -7.169 -2.772 8.389) 11.378 9.571 ( 7.584 2.584 -3.520) 8.751 9.763 ( 5.755 -2.266 0.289) 6.192 10.195 ( -5.457 3.475 -7.751) 10.096 10.369 ( 2.541 4.792 1.643) 5.667 10.688 ( -3.890 -1.686 -2.484) 4.914 10.924 ( 7.316 6.170 -8.867) 13.047 11.515 ( -7.735 -7.860 -9.153) 14.331 11.680 ( -6.111 12.042 3.692) 13.999 11.844 ( 0.156 11.249 2.930) 11.626 12.051 ( 8.255 -8.923 4.957) 13.127 12.657 ( 4.274 9.959 3.732) 11.462 12.994 ( -3.368 10.830 5.062) 12.420 13.405 ( 2.810 -0.564 -1.284) 3.140 13.699 ( -6.882 10.570 -9.642) 15.877 13.983 ( -1.189 -11.806 5.289) 12.991 14.410 ( -8.108 -13.395 3.813) 16.115 14.668 ( 6.343 -18.722 1.717) 19.842 16.014 ( -6.298 6.868 -4.437) 10.321 16.233 ( -6.177 12.076 2.441) 13.782 16.699 ( 11.631 -9.821 -1.553) 15.301 16.925 ( 16.701 7.468 -2.777) 18.504 18.413 ( -2.049 16.490 0.662) 16.630 19.522 ( -5.912 -11.433 -12.139) 17.692 20.512 ( -3.121 -5.418 -2.540) 6.748 20.929 ( 5.663 -3.884 -4.556) 8.241 23.319 ( -0.565 0.225 4.119) 4.163 23.552 ( -3.926 -4.364 10.875) 12.358 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 12.060 0.000 13.278) 17.937 2.087 ( 4.560 0.000 14.823) 15.509 2.482 ( -1.716 -0.000 -3.323) 3.740 2.496 ( -10.171 -0.000 0.114) 10.171 2.899 ( 10.743 0.000 -10.638) 15.118 2.921 ( 13.001 0.000 -13.847) 18.994 3.348 ( -3.011 -0.000 2.419) 3.862 3.554 ( -1.107 -0.000 7.813) 7.891 3.666 ( 0.630 0.000 -1.094) 1.262 3.755 ( -12.766 -0.000 6.262) 14.220 3.793 ( 2.849 0.000 2.740) 3.953 4.041 ( -6.377 -0.000 -1.236) 6.496 4.122 ( -0.729 -0.000 -13.481) 13.501 4.267 ( -3.673 -0.000 0.383) 3.693 4.380 ( -2.145 -0.000 0.814) 2.294 4.610 ( 34.650 0.000 7.483) 35.449 4.803 ( 0.546 0.000 11.479) 11.492 5.129 ( 10.443 0.000 -11.992) 15.901 5.286 ( 14.768 0.000 -8.047) 16.818 5.326 ( 2.832 0.000 -2.098) 3.525 5.576 ( -2.833 -0.000 5.117) 5.849 5.655 ( -28.595 -0.000 -3.431) 28.800 5.668 ( 3.300 0.000 -0.808) 3.397 5.848 ( -2.594 -0.000 3.791) 4.594 6.088 ( -9.765 -0.000 2.911) 10.189 6.162 ( -7.371 -0.000 9.661) 12.152 6.279 ( -7.034 -0.000 7.174) 10.047 7.058 ( -0.719 -0.000 -0.412) 0.828 7.285 ( 6.031 0.000 -11.096) 12.629 7.696 ( 9.405 0.000 -7.334) 11.927 8.060 ( 6.518 0.000 -0.207) 6.521 8.559 ( -4.465 -0.000 -3.225) 5.508 8.666 ( -9.374 -0.000 9.133) 13.088 9.484 ( 2.100 0.000 7.633) 7.917 9.530 ( 6.803 0.000 -5.661) 8.850 9.848 ( -7.793 -0.000 6.488) 10.140 10.237 ( -2.685 -0.000 -2.210) 3.478 10.430 ( -0.907 -0.000 -4.199) 4.295 10.453 ( 0.565 0.000 -2.850) 2.905 10.712 ( -3.040 -0.000 -0.166) 3.044 10.855 ( -4.304 -0.000 3.030) 5.264 10.942 ( 2.937 0.000 -0.528) 2.984 12.214 ( 1.026 0.000 -2.538) 2.737 12.530 ( 1.660 0.000 3.729) 4.082 12.718 ( 8.460 0.000 -7.462) 11.280 13.460 ( 1.660 0.000 1.574) 2.288 14.110 ( -0.684 -0.000 1.397) 1.555 14.546 ( -7.004 -0.000 3.820) 7.978 14.964 ( 5.345 0.000 0.583) 5.377 15.079 ( -3.450 -0.000 -0.342) 3.467 15.136 ( 3.274 0.000 -9.922) 10.448 16.177 ( -0.358 -0.000 4.023) 4.039 16.817 ( -1.792 -0.000 -3.472) 3.908 16.977 ( -0.772 -0.000 3.066) 3.162 18.300 ( 10.345 0.000 -3.519) 10.927 19.647 ( 3.401 0.000 -19.439) 19.734 20.511 ( -5.381 -0.000 0.188) 5.384 21.662 ( 4.535 0.000 -0.221) 4.540 23.443 ( 1.188 0.000 4.106) 4.275 23.666 ( -9.267 -0.000 12.748) 15.760 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -0.193 -8.116 5.404) 9.752 2.159 ( -6.498 -7.837 7.666) 12.744 2.502 ( 5.470 -2.287 0.400) 5.942 2.538 ( -3.741 -9.639 2.718) 10.691 2.981 ( 10.422 -1.217 -8.878) 13.744 3.059 ( 13.892 -5.673 -12.390) 19.460 3.299 ( -3.313 4.069 2.481) 5.804 3.487 ( -2.040 8.157 4.349) 9.466 3.578 ( -1.416 4.052 0.707) 4.350 3.672 ( -6.381 1.195 5.825) 8.722 3.808 ( -0.269 0.810 3.431) 3.535 3.990 ( -1.894 1.932 0.456) 2.744 4.187 ( -2.996 -7.978 -13.870) 16.279 4.249 ( -1.460 -1.333 0.185) 1.986 4.385 ( -1.505 -2.382 0.910) 2.961 4.792 ( 1.982 3.813 10.445) 11.295 4.886 ( 26.922 -0.045 3.405) 27.137 5.144 ( 4.244 2.853 -5.203) 7.296 5.337 ( -3.149 0.107 -3.385) 4.624 5.380 ( -19.827 -0.390 -4.277) 20.287 5.403 ( 1.997 -0.301 -3.983) 4.465 5.619 ( 6.014 -1.521 5.804) 8.495 5.797 ( 0.817 -3.163 3.519) 4.802 5.875 ( 2.837 -9.980 1.018) 10.425 6.127 ( -5.198 -8.759 2.390) 10.462 6.215 ( -3.444 -9.069 6.014) 11.413 6.268 ( -8.573 -6.647 7.996) 13.476 7.104 ( -1.687 -6.518 -1.203) 6.839 7.345 ( 5.671 -3.403 -10.363) 12.294 7.707 ( 7.483 4.162 -7.117) 11.134 8.155 ( 1.589 -5.928 -3.612) 7.121 8.385 ( -2.848 9.678 0.969) 10.135 8.683 ( -9.111 -3.918 7.070) 12.180 9.416 ( 6.601 7.056 5.290) 11.016 9.743 ( 2.546 -13.569 -2.270) 13.991 9.801 ( -5.921 0.185 5.590) 8.146 10.357 ( -2.639 -10.165 -2.516) 10.799 10.426 ( 3.915 -4.931 -2.919) 6.940 10.555 ( 1.534 -9.519 -1.050) 9.698 10.657 ( -3.092 1.431 0.243) 3.415 10.895 ( -5.689 -5.457 -1.972) 8.126 11.028 ( 4.247 -8.088 3.060) 9.634 12.237 ( 1.504 -1.868 -1.245) 2.702 12.578 ( 1.029 -3.127 3.569) 4.856 12.717 ( 3.932 3.655 -6.303) 8.280 13.445 ( 0.659 2.826 1.125) 3.113 14.047 ( -1.421 6.350 0.819) 6.558 14.412 ( -3.638 10.064 1.353) 10.787 14.984 ( 4.472 5.986 -0.079) 7.473 15.049 ( -3.908 -1.635 -1.086) 4.373 15.184 ( 3.476 -5.238 -4.559) 7.766 16.051 ( -0.603 11.140 2.522) 11.437 17.000 ( -0.706 -19.240 -2.645) 19.434 17.124 ( -0.366 -15.640 3.675) 16.070 18.310 ( 5.644 4.799 -4.621) 8.731 19.505 ( 1.216 13.363 -17.401) 21.973 20.479 ( -2.497 -0.175 -0.473) 2.547 21.631 ( 3.680 7.069 -0.400) 7.979 23.454 ( 1.029 0.885 5.218) 5.392 23.602 ( -7.519 2.262 9.939) 12.667 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -12.423 -10.335 -3.963) 16.639 2.326 ( -5.986 -13.348 4.431) 15.285 2.637 ( 8.010 -6.026 -1.716) 10.170 2.734 ( 2.284 -10.819 2.934) 11.441 3.013 ( 1.360 3.661 -3.149) 5.017 3.164 ( 0.375 7.750 -3.871) 8.671 3.238 ( 9.238 -5.162 -10.212) 14.706 3.337 ( 3.155 5.681 -1.640) 6.702 3.541 ( -0.301 4.394 6.781) 8.086 3.678 ( -1.141 -5.582 8.643) 10.352 3.770 ( -6.254 1.704 4.282) 7.768 3.935 ( 4.708 5.389 4.423) 8.413 4.172 ( -6.318 1.266 -10.854) 12.622 4.317 ( 0.123 -4.271 0.261) 4.281 4.435 ( -0.693 -3.181 -1.923) 3.781 4.779 ( 2.189 0.395 8.722) 9.001 5.033 ( -17.502 4.850 -2.385) 18.317 5.051 ( 12.283 0.091 -0.492) 12.293 5.154 ( -13.775 -3.248 -2.747) 14.417 5.350 ( 5.113 3.114 1.076) 6.083 5.489 ( 10.082 -0.995 -0.524) 10.144 5.722 ( 6.872 -2.426 3.663) 8.156 5.804 ( 0.778 1.054 3.223) 3.479 6.012 ( -1.364 0.508 -0.197) 1.468 6.296 ( -2.239 -13.466 3.497) 14.092 6.403 ( -2.327 -12.619 4.349) 13.549 6.573 ( 0.460 -25.816 4.269) 26.171 7.259 ( -2.344 -13.079 -2.023) 13.440 7.412 ( 2.999 -2.009 -7.678) 8.485 7.677 ( 6.701 1.999 -7.882) 10.536 8.134 ( -0.137 7.973 1.615) 8.136 8.327 ( -4.951 -5.663 -1.778) 7.730 8.689 ( -7.366 -2.777 7.210) 10.675 9.394 ( 9.652 3.607 6.175) 12.013 9.760 ( -4.552 0.325 2.637) 5.271 10.029 ( -0.015 -17.729 -5.247) 18.489 10.408 ( 3.048 -1.617 -3.518) 4.928 10.573 ( -0.638 0.526 1.192) 1.451 10.704 ( -2.570 -12.335 -4.564) 13.401 10.818 ( 3.674 -15.832 2.795) 16.491 10.938 ( -2.378 -6.881 -8.408) 11.122 11.308 ( 4.304 -17.205 8.740) 19.772 12.278 ( -0.322 -1.172 -1.303) 1.782 12.653 ( 2.932 -2.702 -1.370) 4.216 12.696 ( -1.228 -4.444 1.125) 4.746 13.382 ( -0.983 4.470 0.832) 4.652 13.884 ( -1.222 10.371 -0.149) 10.444 14.179 ( -0.950 13.481 -0.783) 13.538 14.820 ( 0.476 12.878 0.843) 12.914 15.058 ( -0.069 1.114 -1.225) 1.657 15.324 ( 0.982 -8.885 -0.976) 8.992 15.873 ( 0.348 7.928 1.496) 8.076 17.368 ( 1.651 -19.070 2.555) 19.311 17.483 ( -0.918 -23.139 1.326) 23.195 18.234 ( 0.872 3.127 -6.101) 6.911 19.136 ( -0.686 23.557 -15.765) 28.354 20.474 ( -0.007 -0.447 -1.333) 1.406 21.482 ( 3.244 12.436 -0.701) 12.872 23.452 ( 0.466 1.730 6.642) 6.879 23.522 ( -5.442 2.757 6.847) 9.171 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -13.421 -14.211 -5.693) 20.359 2.512 ( -2.406 -10.097 -0.680) 10.402 2.795 ( 3.314 -6.575 -5.251) 9.044 2.851 ( -0.093 7.501 2.310) 7.850 2.955 ( 3.443 -6.268 1.913) 7.403 3.026 ( 0.510 7.783 -3.772) 8.664 3.281 ( 6.491 1.172 -6.610) 9.338 3.392 ( 3.298 -2.177 -3.404) 5.216 3.464 ( 1.124 3.458 2.065) 4.182 3.659 ( -4.438 4.234 2.686) 6.696 3.818 ( -0.848 -2.604 3.770) 4.659 3.894 ( 3.341 6.300 8.447) 11.055 4.075 ( -7.495 -2.784 -0.813) 8.036 4.323 ( 1.236 2.386 0.607) 2.755 4.506 ( 2.542 -3.842 -3.530) 5.803 4.757 ( -13.303 1.939 -0.654) 13.459 4.878 ( -9.688 -3.777 7.331) 12.723 5.117 ( 3.969 -3.220 1.887) 5.448 5.202 ( -0.201 -3.423 -1.879) 3.909 5.325 ( 5.447 3.009 2.023) 6.544 5.574 ( 8.689 0.163 -1.140) 8.765 5.745 ( -0.984 6.366 7.245) 9.695 5.838 ( 6.265 -3.166 -2.207) 7.358 5.978 ( -2.888 -0.782 -2.704) 4.033 6.481 ( -1.015 -6.844 1.653) 7.114 6.609 ( -3.504 -12.641 1.759) 13.235 6.931 ( 2.395 -7.147 2.851) 8.059 7.403 ( -0.187 -1.734 -2.335) 2.914 7.540 ( 1.423 -14.543 -1.623) 14.702 7.740 ( 1.100 -6.736 -8.580) 10.964 8.046 ( 6.156 2.889 6.537) 9.433 8.379 ( -9.902 -8.239 -3.483) 13.344 8.691 ( -6.065 -1.406 7.449) 9.708 9.478 ( 11.656 -1.506 5.428) 12.946 9.725 ( -0.772 1.631 0.366) 1.842 10.297 ( -3.525 -14.103 -8.886) 17.038 10.439 ( 3.481 3.225 0.784) 4.810 10.540 ( -4.818 -3.231 -1.920) 6.111 10.872 ( -2.895 -9.242 -5.408) 11.093 11.037 ( 3.957 -10.777 -4.903) 12.484 11.146 ( 6.544 -10.517 -2.866) 12.714 11.695 ( 3.378 -18.692 11.817) 22.371 12.237 ( -4.358 2.106 -1.556) 5.085 12.799 ( -0.330 -7.211 3.495) 8.020 12.849 ( 2.163 -16.579 -1.898) 16.827 13.277 ( -3.992 4.865 0.348) 6.303 13.693 ( 1.323 10.440 -0.193) 10.525 13.951 ( 0.980 11.464 -0.954) 11.545 14.574 ( -1.973 14.139 2.812) 14.550 14.951 ( 1.472 11.616 -2.813) 12.042 15.513 ( 0.950 -12.259 0.842) 12.324 15.827 ( 2.290 -1.540 0.974) 2.926 17.504 ( -0.018 8.303 5.739) 10.094 17.871 ( -1.625 -18.016 -3.464) 18.418 18.279 ( -7.712 -8.831 -2.018) 11.897 18.708 ( 5.308 13.741 -15.001) 21.024 20.476 ( 0.161 0.178 -2.599) 2.610 21.267 ( 4.018 14.207 -1.364) 14.827 23.418 ( -2.174 3.158 6.956) 7.943 23.474 ( -1.782 0.745 5.474) 5.805 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -10.526 -16.126 -5.228) 19.955 2.591 ( 2.513 2.195 -2.257) 4.028 2.706 ( 4.681 9.149 1.331) 10.363 2.884 ( -5.621 -0.375 -0.664) 5.672 2.897 ( 1.052 0.547 -5.259) 5.391 3.125 ( 3.706 -7.253 2.382) 8.486 3.244 ( 1.679 4.758 1.936) 5.404 3.402 ( 0.755 0.426 -2.673) 2.810 3.506 ( 4.587 -4.455 -6.743) 9.292 3.556 ( -3.607 5.283 0.063) 6.397 3.729 ( -4.800 6.954 0.729) 8.481 3.817 ( -0.599 2.731 2.613) 3.827 4.127 ( -1.347 -0.034 4.057) 4.274 4.369 ( 0.723 -7.916 2.348) 8.289 4.504 ( 1.066 3.869 -8.959) 9.817 4.727 ( -6.658 -7.590 10.010) 14.218 4.911 ( -5.811 -4.581 8.017) 10.910 5.127 ( 1.687 10.989 5.112) 12.237 5.213 ( 7.372 -0.820 -0.713) 7.452 5.427 ( -1.906 -8.971 0.406) 9.181 5.590 ( 0.229 8.578 2.969) 9.081 5.623 ( 4.971 1.970 -3.636) 6.467 5.920 ( 2.847 -1.578 -1.001) 3.405 5.997 ( -0.968 -4.860 -6.434) 8.122 6.529 ( -2.163 -0.300 0.657) 2.281 6.754 ( -2.259 -4.784 -3.101) 6.132 6.955 ( 1.322 1.519 4.102) 4.569 7.387 ( -1.037 2.183 2.911) 3.783 7.666 ( 7.349 3.706 -2.306) 8.548 7.919 ( -8.168 -16.203 -2.781) 18.358 8.144 ( 5.602 -2.966 4.302) 7.661 8.487 ( -4.505 -11.245 -2.049) 12.286 8.679 ( -6.174 -1.066 8.512) 10.569 9.623 ( 6.527 -3.813 4.204) 8.650 9.699 ( 7.063 3.001 -2.566) 8.092 10.316 ( -6.043 3.675 -4.270) 8.261 10.429 ( -5.055 -3.902 -3.045) 7.075 10.598 ( 0.744 -2.963 -2.769) 4.123 10.989 ( -1.632 -8.557 -7.890) 11.753 11.233 ( 8.688 -2.812 -8.164) 12.249 11.365 ( 4.865 -13.592 1.177) 14.484 11.980 ( 1.401 -6.032 11.835) 13.357 12.179 ( -3.894 0.244 -0.178) 3.906 12.880 ( -1.689 -0.777 2.709) 3.286 13.092 ( -8.631 -5.262 0.299) 10.113 13.327 ( 3.721 -18.623 -1.219) 19.030 13.556 ( 4.344 7.540 0.068) 8.702 13.811 ( 0.722 4.678 0.912) 4.820 14.352 ( -2.899 7.981 4.237) 9.490 14.686 ( 1.630 17.609 -3.967) 18.124 15.781 ( 3.474 -15.505 1.657) 15.975 15.946 ( 4.128 -7.992 -0.416) 9.005 17.219 ( -2.950 20.295 1.452) 20.559 17.707 ( -6.623 25.128 -4.528) 26.378 18.429 ( -3.671 -15.952 -3.147) 16.669 18.875 ( 5.797 -18.239 -5.523) 19.919 20.451 ( -1.853 0.940 -3.694) 4.238 21.070 ( 5.755 11.209 -3.107) 12.977 23.363 ( -2.025 2.330 5.647) 6.436 23.474 ( -1.483 -0.423 6.575) 6.754 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 10.284 10.822 2.210) 15.092 2.524 ( 4.893 13.347 1.994) 14.355 2.628 ( -4.136 -11.582 -1.634) 12.406 2.876 ( 1.658 -2.143 -5.020) 5.705 2.901 ( -10.549 -5.456 -4.150) 12.581 3.215 ( -2.806 -3.524 4.753) 6.548 3.270 ( 3.654 -2.143 0.396) 4.254 3.385 ( -3.684 1.663 -1.239) 4.228 3.417 ( 0.210 3.280 -5.974) 6.819 3.567 ( -1.048 6.723 0.709) 6.841 3.625 ( 2.435 -4.889 -3.733) 6.616 3.814 ( -0.234 -0.946 0.873) 1.309 4.066 ( -2.779 3.867 0.830) 4.834 4.413 ( 3.150 3.752 -8.356) 9.687 4.540 ( 0.175 -4.687 4.609) 6.576 4.823 ( -0.076 4.836 10.833) 11.864 4.948 ( -0.433 -0.751 10.055) 10.093 5.016 ( -4.236 -6.405 8.852) 11.719 5.248 ( 6.149 2.405 -2.264) 6.980 5.390 ( -2.678 8.345 -6.208) 10.740 5.522 ( 0.961 2.598 -2.136) 3.498 5.627 ( 3.231 0.855 -2.554) 4.207 5.979 ( 2.566 -3.495 0.556) 4.371 6.077 ( -4.287 -7.153 -6.788) 10.753 6.496 ( 1.237 1.464 -2.105) 2.846 6.738 ( -0.567 3.139 -0.683) 3.262 6.963 ( 1.585 1.185 2.184) 2.947 7.357 ( -3.090 0.411 6.168) 6.911 7.640 ( 7.550 4.487 -2.252) 9.067 8.030 ( -8.763 -4.448 -3.025) 10.282 8.218 ( 2.496 -0.662 6.256) 6.768 8.596 ( -1.925 -1.577 -1.554) 2.934 8.680 ( -4.397 -1.497 10.993) 11.934 9.641 ( -0.974 1.567 -1.771) 2.557 9.798 ( 14.795 -1.638 -1.064) 14.923 10.188 ( -7.495 3.085 -4.113) 9.089 10.416 ( -4.532 -0.158 -3.428) 5.685 10.628 ( 0.473 -1.083 -0.843) 1.452 11.064 ( 5.010 1.362 -7.765) 9.340 11.286 ( -1.240 -5.090 -10.503) 11.737 11.662 ( 3.270 -11.319 4.349) 12.559 11.981 ( -1.228 5.849 6.103) 8.542 12.127 ( 1.083 4.586 2.243) 5.219 12.820 ( -1.249 4.736 2.138) 5.344 13.095 ( -2.488 1.343 3.657) 4.623 13.459 ( 3.111 4.834 -0.179) 5.751 13.659 ( -4.027 -9.592 -1.713) 10.543 13.827 ( -0.480 -6.806 3.113) 7.499 14.261 ( -5.625 3.514 -0.703) 6.669 14.493 ( 5.117 -2.178 0.597) 5.593 16.008 ( 0.426 -3.278 0.316) 3.321 16.178 ( 4.098 -13.304 -0.893) 13.949 16.837 ( -1.992 17.195 0.311) 17.313 17.260 ( 4.966 17.889 -5.443) 19.347 18.564 ( -0.481 0.378 -0.007) 0.612 19.194 ( -3.562 -16.085 -5.239) 17.288 20.419 ( -2.692 -1.326 -3.172) 4.367 20.970 ( 6.167 4.220 -5.737) 9.421 23.334 ( -1.061 0.965 5.135) 5.332 23.494 ( -2.593 -1.800 7.710) 8.331 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -12.457 -0.000 5.390) 13.573 2.000 ( -16.947 -0.000 1.377) 17.003 2.472 ( 7.251 0.000 7.916) 10.736 2.543 ( 7.106 0.000 4.593) 8.461 3.042 ( 10.452 0.000 -7.851) 13.073 3.105 ( 16.941 0.000 -13.536) 21.684 3.317 ( -1.745 -0.000 4.702) 5.016 3.542 ( -6.352 -0.000 8.343) 10.486 3.592 ( -11.433 -0.000 8.243) 14.095 3.645 ( -2.234 -0.000 -4.400) 4.935 3.806 ( -1.779 -0.000 -0.356) 1.815 4.028 ( -2.063 -0.000 -16.437) 16.566 4.033 ( 6.575 0.000 1.969) 6.864 4.244 ( 0.908 0.000 1.849) 2.060 4.369 ( 0.582 0.000 0.372) 0.691 4.849 ( -1.405 -0.000 10.870) 10.960 5.067 ( -4.476 -0.000 1.688) 4.784 5.103 ( -13.192 -0.000 -8.404) 15.642 5.177 ( -1.848 -0.000 -4.973) 5.305 5.331 ( -0.694 -0.000 -3.341) 3.413 5.478 ( 15.059 0.000 0.910) 15.086 5.731 ( 18.598 0.000 1.597) 18.667 5.732 ( 3.341 0.000 3.014) 4.500 5.841 ( -0.341 -0.000 7.870) 7.878 5.966 ( -6.427 -0.000 -0.414) 6.440 6.114 ( -3.547 -0.000 5.445) 6.499 6.203 ( -7.567 -0.000 9.892) 12.454 7.035 ( -1.046 -0.000 -2.228) 2.461 7.338 ( 6.203 0.000 -9.846) 11.637 7.789 ( 5.720 0.000 -6.355) 8.550 8.073 ( -3.801 -0.000 -3.922) 5.462 8.431 ( -7.318 -0.000 -7.981) 10.828 8.613 ( -2.850 -0.000 10.984) 11.348 9.586 ( 1.948 0.000 -5.505) 5.840 9.631 ( 8.710 0.000 15.425) 17.715 9.780 ( -3.490 -0.000 5.114) 6.191 10.205 ( 1.294 0.000 0.623) 1.436 10.445 ( 3.893 0.000 -0.506) 3.926 10.453 ( 1.183 0.000 -4.867) 5.009 10.680 ( -0.777 -0.000 -0.503) 0.925 10.797 ( -3.278 -0.000 0.538) 3.322 10.973 ( 0.784 0.000 0.076) 0.788 12.240 ( 3.031 0.000 -0.394) 3.056 12.558 ( -0.609 -0.000 4.094) 4.139 12.763 ( 1.329 0.000 -7.416) 7.534 13.471 ( -0.927 -0.000 0.940) 1.320 14.091 ( -2.069 -0.000 0.633) 2.164 14.497 ( -0.965 -0.000 1.984) 2.207 15.004 ( -1.871 -0.000 -0.573) 1.957 15.051 ( 1.419 0.000 0.490) 1.501 15.173 ( 5.836 0.000 -7.113) 9.200 16.168 ( -2.715 -0.000 3.386) 4.341 16.787 ( 0.284 0.000 -3.514) 3.526 16.984 ( -0.151 -0.000 3.093) 3.097 18.364 ( -0.491 -0.000 -4.635) 4.661 19.594 ( 0.790 0.000 -19.188) 19.204 20.465 ( 0.015 0.000 -0.141) 0.142 21.723 ( 3.359 0.000 0.178) 3.364 23.486 ( 1.299 0.000 6.722) 6.846 23.585 ( -7.156 -0.000 8.643) 11.221 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -18.558 -5.920 -2.832) 19.684 1.982 ( -17.884 -13.781 5.048) 23.136 2.625 ( 7.259 -3.290 4.136) 8.979 2.639 ( 8.467 -6.070 5.680) 11.866 3.076 ( 5.730 2.279 -7.107) 9.409 3.231 ( 13.528 -2.417 -10.989) 17.595 3.280 ( -1.623 6.114 1.071) 6.415 3.442 ( -2.766 2.694 2.119) 4.404 3.562 ( -3.593 -0.286 4.895) 6.078 3.606 ( -6.709 -2.541 7.570) 10.429 3.768 ( -1.673 3.140 1.548) 3.880 4.050 ( -2.289 -4.491 -13.799) 14.691 4.084 ( 6.445 1.262 -0.191) 6.570 4.262 ( 2.727 -0.716 1.865) 3.381 4.394 ( 1.863 -1.702 1.204) 2.796 4.788 ( -33.854 -0.093 -0.408) 33.856 4.847 ( -3.597 1.139 9.683) 10.392 5.089 ( -5.491 2.321 -3.499) 6.912 5.167 ( 8.784 2.157 -7.129) 11.517 5.361 ( -0.523 -3.842 -3.933) 5.523 5.605 ( 15.505 1.467 1.681) 15.665 5.789 ( 7.190 -0.471 6.367) 9.615 5.827 ( 2.262 0.918 5.133) 5.684 5.980 ( 10.685 -7.387 -3.621) 13.485 6.091 ( -0.530 -10.392 3.820) 11.084 6.175 ( -3.496 -10.915 8.283) 14.141 6.208 ( -3.522 -9.543 6.466) 12.053 7.070 ( -1.339 -5.797 -2.531) 6.465 7.388 ( 4.802 -2.244 -8.660) 10.153 7.768 ( 3.857 3.875 -5.951) 8.081 8.079 ( -8.472 -6.012 -3.213) 10.874 8.308 ( -5.568 4.912 -4.863) 8.876 8.642 ( 0.033 -1.358 9.189) 9.289 9.585 ( 8.591 4.639 5.997) 11.458 9.699 ( -2.425 -2.289 1.342) 3.595 9.802 ( 0.677 -5.098 3.551) 6.250 10.384 ( 7.244 -8.843 -1.472) 11.526 10.485 ( 4.085 -6.359 -3.015) 8.137 10.543 ( -4.202 -5.659 0.139) 7.050 10.665 ( 5.195 -2.176 1.764) 5.902 10.804 ( -3.779 -3.123 -3.829) 6.221 11.095 ( 2.097 -12.021 3.525) 12.701 12.270 ( 2.784 -0.374 -0.714) 2.899 12.590 ( -1.780 -3.643 4.100) 5.766 12.709 ( -0.709 3.379 -6.026) 6.945 13.435 ( -2.571 2.810 0.677) 3.868 14.016 ( -2.459 6.297 -0.188) 6.763 14.399 ( 1.165 10.401 -0.166) 10.467 14.963 ( -4.350 3.607 -0.022) 5.651 15.088 ( 6.307 -0.338 0.692) 6.354 15.207 ( 1.865 -2.987 -4.641) 5.826 16.040 ( -2.050 9.816 2.412) 10.314 16.986 ( 0.540 -19.769 -2.621) 19.949 17.147 ( 1.055 -16.217 4.127) 16.767 18.284 ( -5.963 4.410 -5.464) 9.211 19.426 ( -0.770 13.559 -20.684) 24.744 20.478 ( 2.773 -0.018 -0.064) 2.774 21.684 ( 3.022 7.306 0.634) 7.932 23.503 ( 1.312 1.284 8.577) 8.772 23.532 ( -6.075 1.707 6.567) 9.108 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -17.739 -12.337 -4.503) 22.071 2.173 ( -13.948 -19.374 3.022) 24.063 2.733 ( 4.038 -4.590 -2.698) 6.682 2.842 ( 6.721 -6.764 4.115) 10.386 3.017 ( 1.334 6.005 -3.024) 6.855 3.128 ( -1.286 5.874 -6.365) 8.756 3.341 ( 8.521 -0.980 -6.073) 10.509 3.379 ( 2.152 2.461 -3.477) 4.772 3.570 ( -1.478 3.086 8.145) 8.835 3.678 ( -5.469 1.079 4.698) 7.290 3.707 ( -1.585 -7.156 10.463) 12.775 4.003 ( -6.572 1.920 -12.256) 14.039 4.072 ( 7.701 6.660 3.586) 10.794 4.336 ( 1.124 -3.546 2.680) 4.585 4.445 ( -0.955 -1.861 -0.072) 2.093 4.558 ( -25.016 -3.947 -0.897) 25.341 4.857 ( 2.399 -0.062 6.111) 6.565 5.022 ( -5.288 -2.182 -0.770) 5.772 5.185 ( 4.226 -0.144 -4.529) 6.197 5.405 ( 1.342 -1.075 -2.119) 2.729 5.648 ( 4.401 1.395 -2.682) 5.339 5.833 ( 1.077 2.019 10.179) 10.433 5.900 ( 13.883 1.039 1.165) 13.971 5.966 ( -5.305 3.411 1.206) 6.421 6.292 ( 2.077 -11.907 0.865) 12.117 6.408 ( -0.206 -11.379 2.968) 11.761 6.630 ( 3.533 -26.734 6.456) 27.728 7.211 ( -2.052 -12.476 -3.124) 13.024 7.425 ( 2.488 -0.355 -5.662) 6.195 7.736 ( 4.620 1.204 -7.643) 9.012 8.108 ( -9.604 -5.926 -0.504) 11.296 8.184 ( -3.963 2.670 -0.500) 4.805 8.684 ( 1.269 0.402 9.617) 9.708 9.593 ( 9.966 3.336 6.746) 12.488 9.723 ( -0.268 -1.708 -1.287) 2.156 9.989 ( -0.996 -14.473 -3.139) 14.843 10.462 ( -6.639 1.447 -1.823) 7.035 10.523 ( 8.140 0.063 -2.220) 8.438 10.684 ( 0.424 -9.930 -4.761) 11.020 10.852 ( -1.419 -9.012 -4.747) 10.284 10.955 ( 7.712 -16.055 2.809) 18.031 11.408 ( 3.492 -18.851 7.569) 20.612 12.255 ( -1.749 3.317 -3.207) 4.935 12.675 ( -2.295 -6.663 4.085) 8.146 12.696 ( 3.632 -4.269 -2.298) 6.057 13.333 ( -5.341 5.235 0.025) 7.479 13.853 ( -2.309 8.956 -0.538) 9.265 14.198 ( 3.635 13.332 -1.766) 13.931 14.791 ( -3.479 11.837 1.340) 12.410 15.113 ( 5.436 4.249 -1.384) 7.037 15.323 ( 0.203 -9.907 -0.366) 9.916 15.884 ( 0.020 5.955 1.950) 6.266 17.398 ( 0.079 -25.686 -0.518) 25.691 17.487 ( 0.488 -14.714 6.386) 16.047 18.128 ( -10.122 1.963 -6.136) 11.998 19.052 ( 0.786 21.036 -22.466) 30.787 20.496 ( 3.306 1.094 -0.705) 3.553 21.532 ( 2.965 12.311 0.754) 12.686 23.462 ( -4.690 2.638 6.122) 8.151 23.505 ( 0.869 1.850 8.331) 8.578 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -14.070 -17.343 -3.779) 22.650 2.381 ( -13.177 -15.123 -0.763) 20.072 2.823 ( 4.121 -1.840 -9.255) 10.297 2.886 ( 1.451 5.341 1.745) 5.803 2.999 ( 1.573 1.846 -2.917) 3.794 3.055 ( 5.607 -2.035 0.072) 5.965 3.356 ( 5.290 0.858 -3.068) 6.175 3.416 ( 1.493 -0.120 0.293) 1.526 3.491 ( 0.635 3.914 1.893) 4.394 3.583 ( -7.504 3.294 1.972) 8.429 3.740 ( -4.831 3.486 -6.595) 8.887 3.971 ( 0.841 7.403 6.100) 9.629 4.039 ( -1.012 -9.073 9.154) 12.928 4.277 ( -11.104 1.128 0.245) 11.164 4.540 ( -0.438 -1.666 -0.707) 1.862 4.545 ( 1.589 -7.932 1.862) 8.301 4.862 ( -0.742 1.094 1.979) 2.380 5.116 ( -3.648 -9.835 1.449) 10.589 5.224 ( 2.469 -2.296 -1.179) 3.572 5.402 ( 3.426 3.412 2.161) 5.296 5.651 ( 0.601 -0.608 -2.777) 2.906 5.751 ( -1.739 7.964 7.119) 10.823 5.908 ( -4.513 -1.595 -2.609) 5.451 5.975 ( 11.017 2.662 -0.971) 11.376 6.477 ( 1.355 -5.987 -2.694) 6.703 6.581 ( -1.545 -9.551 1.219) 9.752 6.977 ( 0.736 -6.075 7.453) 9.643 7.403 ( 1.123 -1.957 0.132) 2.260 7.508 ( -3.884 -18.896 -3.345) 19.579 7.740 ( 3.188 0.644 -9.461) 10.005 8.140 ( -3.588 -3.641 4.071) 6.535 8.222 ( -1.347 -10.329 -0.186) 10.418 8.686 ( 0.213 2.042 11.423) 11.606 9.635 ( 2.705 0.351 2.350) 3.601 9.778 ( 9.418 -1.720 -2.099) 9.802 10.199 ( -2.781 -10.290 -7.091) 12.802 10.328 ( -12.445 2.477 -0.854) 12.718 10.609 ( 8.686 -0.051 -0.910) 8.734 10.788 ( -2.760 -8.022 -8.828) 12.243 11.100 ( 5.504 -16.239 -2.794) 17.372 11.256 ( 7.657 -9.483 0.528) 12.200 11.807 ( 3.981 -18.562 10.749) 21.816 12.140 ( -6.074 3.166 -3.797) 7.832 12.797 ( -1.741 -7.312 4.021) 8.524 12.879 ( 0.813 -9.961 -0.896) 10.034 13.207 ( -2.878 0.713 -1.596) 3.367 13.697 ( -0.831 6.846 0.877) 6.952 14.002 ( 5.798 12.401 -1.441) 13.765 14.533 ( -3.728 13.669 2.502) 14.388 14.986 ( 2.748 13.626 -1.876) 14.026 15.548 ( 3.464 -13.952 0.577) 14.387 15.880 ( 3.389 -3.488 1.524) 5.096 17.480 ( -6.849 12.146 2.663) 14.196 17.779 ( -9.946 -11.379 1.975) 15.241 18.099 ( -10.023 -9.785 -2.898) 14.304 18.795 ( 14.935 2.634 -20.514) 25.511 20.477 ( 1.333 2.982 -1.880) 3.769 21.326 ( 3.376 13.405 -0.316) 13.827 23.398 ( -3.420 2.294 5.324) 6.731 23.495 ( 0.120 1.741 8.290) 8.471 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -9.320 -19.487 -3.154) 21.831 2.506 ( -13.022 -12.479 -2.364) 18.190 2.780 ( 0.060 3.844 -4.202) 5.695 2.844 ( 8.053 8.248 0.638) 11.546 2.911 ( 2.978 3.866 -5.555) 7.394 3.182 ( 1.930 -2.099 3.971) 4.888 3.316 ( 5.064 4.524 3.379) 7.585 3.386 ( -4.626 2.274 -1.743) 5.441 3.447 ( -3.515 3.437 -4.426) 6.615 3.540 ( 2.733 -4.230 -3.246) 5.992 3.696 ( 1.048 0.417 -3.203) 3.396 3.814 ( -2.669 6.277 5.358) 8.673 4.136 ( 0.438 3.601 1.851) 4.073 4.325 ( -6.388 -14.421 3.967) 16.264 4.519 ( 5.106 4.128 -6.222) 9.046 4.717 ( -1.912 -8.330 9.374) 12.685 4.866 ( -4.619 -4.615 6.348) 9.106 5.152 ( -1.735 5.634 4.131) 7.199 5.286 ( 1.308 -0.823 -2.758) 3.161 5.407 ( 1.257 -2.009 2.740) 3.622 5.603 ( 0.442 6.575 3.546) 7.483 5.680 ( 1.751 0.164 -2.241) 2.849 5.912 ( -3.912 -4.163 -5.039) 7.617 5.986 ( 4.822 1.962 -3.785) 6.437 6.517 ( 1.348 0.070 -3.196) 3.470 6.712 ( -1.427 -5.296 -2.599) 6.070 7.005 ( 1.243 1.605 8.153) 8.402 7.388 ( -0.898 2.866 4.016) 5.015 7.684 ( -5.949 -3.113 -7.816) 10.304 7.831 ( 2.220 -10.261 -2.618) 10.820 8.203 ( -0.468 -3.937 6.402) 7.530 8.438 ( -0.749 -11.464 -1.141) 11.545 8.698 ( 2.206 0.179 13.410) 13.591 9.627 ( -2.344 0.318 -2.458) 3.411 9.903 ( 14.091 -1.503 -1.910) 14.299 10.153 ( -11.482 2.983 -1.687) 11.983 10.305 ( -4.566 -5.082 -8.067) 10.572 10.648 ( 3.387 0.361 2.324) 4.123 10.919 ( -0.736 -9.956 -12.293) 15.836 11.354 ( 9.709 1.574 -5.580) 11.308 11.470 ( 6.749 -14.729 3.422) 16.559 12.028 ( -3.226 -1.005 9.428) 10.015 12.117 ( -2.505 -4.931 -0.191) 5.534 12.821 ( -7.325 0.567 0.001) 7.347 12.995 ( -3.407 -9.439 3.866) 10.754 13.391 ( 4.626 -14.481 -2.013) 15.334 13.599 ( 1.299 4.980 0.753) 5.201 13.863 ( 5.630 8.043 0.570) 9.834 14.310 ( -3.630 7.576 2.355) 8.724 14.703 ( 1.398 17.800 -1.557) 17.922 15.864 ( 6.112 -16.219 0.900) 17.356 16.024 ( 5.323 -7.106 0.078) 8.879 17.123 ( -9.686 18.762 0.028) 21.115 17.507 ( -15.635 14.765 -3.892) 21.854 18.387 ( -0.414 -18.420 -0.420) 18.429 18.994 ( 13.758 -8.602 -9.774) 18.942 20.414 ( -0.681 3.026 -2.675) 4.096 21.133 ( 3.203 10.582 -3.162) 11.499 23.355 ( -2.183 1.309 5.312) 5.890 23.486 ( -1.034 0.826 7.731) 7.844 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -23.112 -0.000 3.441) 23.367 1.674 ( -23.127 -0.000 1.161) 23.156 2.632 ( -0.611 -0.000 2.534) 2.607 2.686 ( 11.422 0.000 9.294) 14.725 3.139 ( 6.442 0.000 -7.853) 10.157 3.312 ( 15.257 0.000 -11.987) 19.403 3.341 ( 0.240 0.000 6.607) 6.611 3.402 ( -12.059 -0.000 2.852) 12.391 3.473 ( -7.329 -0.000 6.777) 9.982 3.575 ( -4.501 -0.000 -3.266) 5.561 3.823 ( 2.970 0.000 2.571) 3.929 3.927 ( -0.960 -0.000 -14.545) 14.576 4.146 ( 5.359 0.000 0.730) 5.409 4.324 ( 4.074 0.000 5.523) 6.863 4.402 ( 3.189 0.000 0.607) 3.247 4.506 ( -31.977 -0.000 1.981) 32.038 4.853 ( -3.748 -0.000 9.415) 10.133 5.058 ( -5.162 -0.000 -5.284) 7.387 5.245 ( 6.768 0.000 -6.761) 9.567 5.280 ( -3.387 -0.000 -3.951) 5.204 5.706 ( 3.781 0.000 -5.862) 6.976 5.786 ( 2.419 0.000 2.751) 3.663 5.923 ( 4.469 0.000 9.427) 10.433 5.940 ( 7.345 0.000 2.750) 7.843 6.070 ( 20.701 0.000 -3.312) 20.965 6.089 ( -1.938 -0.000 3.811) 4.276 6.137 ( -5.088 -0.000 15.828) 16.626 7.006 ( -1.546 -0.000 -2.454) 2.900 7.382 ( 3.907 0.000 -7.515) 8.470 7.819 ( 1.447 0.000 -4.822) 5.034 7.925 ( -12.007 -0.000 -1.983) 12.169 8.288 ( -5.588 -0.000 -6.653) 8.688 8.665 ( 3.944 0.000 6.286) 7.420 9.556 ( -1.337 -0.000 -3.847) 4.072 9.784 ( 1.149 0.000 3.473) 3.658 9.878 ( 12.519 0.000 17.691) 21.673 10.276 ( 5.019 0.000 0.899) 5.099 10.436 ( -0.549 -0.000 -5.330) 5.358 10.532 ( 5.974 0.000 0.031) 5.974 10.688 ( 2.290 0.000 -0.689) 2.392 10.779 ( 1.722 0.000 0.368) 1.761 10.967 ( -1.245 -0.000 0.177) 1.257 12.295 ( 3.664 0.000 -1.306) 3.889 12.545 ( -3.275 -0.000 4.195) 5.322 12.710 ( -3.020 -0.000 -6.333) 7.016 13.436 ( -4.138 -0.000 0.668) 4.192 14.052 ( -2.927 -0.000 -0.489) 2.968 14.515 ( 1.973 0.000 0.052) 1.974 14.942 ( -5.066 -0.000 -0.126) 5.068 15.087 ( 2.574 0.000 -0.044) 2.574 15.251 ( 7.505 0.000 -5.656) 9.397 16.127 ( -4.166 -0.000 3.459) 5.415 16.795 ( 2.612 0.000 -3.359) 4.255 16.999 ( 0.196 0.000 2.966) 2.973 18.243 ( -11.377 -0.000 -5.226) 12.520 19.480 ( -3.070 -0.000 -25.740) 25.923 20.516 ( 6.071 0.000 0.885) 6.135 21.777 ( 3.069 0.000 1.683) 3.500 23.513 ( -5.952 -0.000 5.553) 8.140 23.553 ( 2.138 0.000 11.765) 11.957 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -21.980 -7.558 -1.324) 23.281 1.687 ( -21.188 -19.167 5.825) 29.159 2.631 ( -9.081 -4.306 0.272) 10.054 2.826 ( 8.470 -3.693 6.833) 11.492 3.117 ( 4.497 4.595 -9.514) 11.483 3.207 ( -5.738 7.207 -1.620) 9.353 3.360 ( 4.030 -1.490 -1.070) 4.428 3.447 ( -1.593 0.429 1.227) 2.056 3.519 ( -0.098 -2.795 1.215) 3.049 3.541 ( -2.549 -6.823 3.314) 8.003 3.799 ( 2.660 5.746 1.871) 6.602 3.936 ( -1.843 -2.317 -10.755) 11.155 4.198 ( 5.799 -0.439 -0.490) 5.836 4.255 ( -23.868 -1.944 5.690) 24.614 4.359 ( 0.867 3.701 4.384) 5.802 4.451 ( 4.471 -1.982 1.296) 5.060 4.861 ( -2.560 -2.142 7.815) 8.498 4.988 ( -2.213 2.665 -4.602) 5.760 5.234 ( 3.078 3.176 -5.379) 6.963 5.316 ( -1.776 -6.402 -3.672) 7.591 5.656 ( -3.224 1.287 -7.164) 7.961 5.862 ( 0.689 -2.525 4.444) 5.158 5.984 ( -4.973 1.397 6.162) 8.040 6.037 ( 11.062 -1.428 0.733) 11.178 6.188 ( 4.743 -7.364 7.375) 11.450 6.208 ( 2.242 -9.879 6.084) 11.817 6.300 ( 14.686 -11.602 1.780) 18.800 7.033 ( -2.330 -5.636 -2.201) 6.484 7.412 ( 2.415 -1.921 -5.717) 6.496 7.780 ( 0.883 2.349 -4.533) 5.181 7.882 ( -13.762 -5.550 -0.973) 14.871 8.215 ( -2.833 2.258 -2.476) 4.388 8.737 ( 6.854 -1.126 5.384) 8.788 9.606 ( -0.627 -6.128 -3.690) 7.180 9.820 ( 6.184 1.671 3.764) 7.430 9.860 ( 6.085 6.061 10.260) 13.381 10.449 ( -5.655 -0.190 -2.359) 6.130 10.496 ( 2.022 -11.992 -0.154) 12.162 10.550 ( 10.237 -1.877 -5.932) 11.980 10.732 ( -1.744 -1.448 -2.585) 3.438 10.820 ( 9.277 -6.234 5.778) 12.582 11.131 ( 1.032 -15.505 2.337) 15.714 12.298 ( 1.280 2.267 -3.899) 4.688 12.563 ( -3.651 -4.147 4.099) 6.879 12.673 ( 0.148 -0.690 -4.126) 4.186 13.364 ( -6.724 3.503 0.266) 7.586 13.967 ( -3.279 6.185 -1.063) 7.080 14.432 ( 3.086 9.857 -1.650) 10.460 14.896 ( -4.458 2.119 0.869) 5.012 15.178 ( 2.299 -6.907 -0.805) 7.324 15.227 ( 5.551 5.924 -3.047) 8.671 16.013 ( -2.732 7.995 2.956) 8.951 16.992 ( 1.535 -18.270 -2.668) 18.528 17.199 ( 3.067 -18.839 4.913) 19.709 18.085 ( -15.043 4.101 -5.716) 16.606 19.273 ( -4.581 11.682 -30.140) 32.648 20.563 ( 7.169 1.479 0.852) 7.369 21.737 ( 2.776 7.672 2.488) 8.530 23.467 ( -5.313 1.283 4.554) 7.114 23.583 ( 2.546 2.241 14.155) 14.556 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -17.589 -15.753 -0.884) 23.629 1.932 ( -17.907 -21.379 2.031) 27.962 2.687 ( -9.197 -12.363 -1.794) 15.513 2.935 ( 0.293 -0.332 2.902) 2.935 3.024 ( 3.677 3.932 -6.004) 8.064 3.109 ( 2.465 1.556 -6.079) 6.742 3.360 ( -3.400 1.431 -0.263) 3.698 3.430 ( 3.208 -0.541 -2.214) 3.935 3.559 ( 0.775 1.615 1.403) 2.276 3.655 ( -2.438 -0.959 6.534) 7.040 3.696 ( -1.283 2.496 -0.531) 2.856 3.893 ( -4.157 0.714 -2.127) 4.724 4.145 ( -10.242 1.728 6.273) 12.134 4.181 ( -1.103 3.267 2.929) 4.524 4.420 ( 4.032 -7.174 2.885) 8.721 4.550 ( 7.041 -3.137 -0.436) 7.720 4.913 ( 1.357 3.812 -2.242) 4.626 4.939 ( -3.225 -6.794 1.502) 7.669 5.194 ( -1.352 0.242 -2.849) 3.163 5.417 ( 2.040 -4.826 -1.498) 5.449 5.609 ( -4.201 -0.744 -4.752) 6.386 5.854 ( -7.701 1.277 1.625) 7.973 5.888 ( -1.325 6.055 10.466) 12.164 6.133 ( 12.241 1.924 -3.301) 12.824 6.357 ( 5.471 -7.161 -0.616) 9.033 6.418 ( 0.381 -9.552 0.907) 9.602 6.737 ( 5.167 -22.282 8.957) 24.565 7.160 ( -3.008 -11.814 -2.682) 12.483 7.448 ( 2.799 -0.332 -1.663) 3.273 7.733 ( -1.523 1.096 -8.869) 9.065 7.910 ( -10.151 -9.637 1.039) 14.036 8.190 ( 1.669 -0.691 3.303) 3.764 8.792 ( 6.153 3.295 8.819) 11.247 9.666 ( -0.246 -0.256 -2.602) 2.626 9.802 ( 6.134 1.006 2.247) 6.610 9.987 ( 1.574 -10.385 -0.693) 10.526 10.323 ( -6.615 5.593 -1.248) 8.752 10.632 ( -0.095 -6.239 -10.127) 11.894 10.692 ( 7.712 1.288 -0.665) 7.847 10.825 ( 2.080 -15.882 -2.338) 16.187 11.105 ( 7.787 -13.375 5.064) 16.284 11.486 ( 2.817 -21.521 4.296) 22.126 12.195 ( -2.742 6.978 -4.954) 8.986 12.649 ( -3.064 -7.594 4.159) 9.185 12.772 ( 6.553 -6.829 -1.191) 9.539 13.215 ( -8.688 5.000 -2.092) 10.240 13.813 ( -2.315 7.563 0.099) 7.909 14.265 ( 5.419 11.793 -1.164) 13.031 14.751 ( -2.016 11.870 1.281) 12.108 15.141 ( -1.551 3.392 -1.960) 4.213 15.375 ( 6.411 -9.489 0.896) 11.487 15.891 ( -0.463 3.282 2.211) 3.984 17.348 ( -5.120 -19.867 -2.582) 20.679 17.559 ( 1.876 -9.737 11.499) 15.184 17.888 ( -15.112 -1.222 -5.963) 16.292 18.959 ( 4.353 10.232 -33.691) 35.478 20.567 ( 5.431 4.183 -0.009) 6.855 21.577 ( 1.522 12.474 2.435) 12.801 23.411 ( -4.289 1.613 3.979) 6.069 23.577 ( 1.730 3.865 14.085) 14.708 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -11.522 -20.773 -0.055) 23.754 2.095 ( -21.732 -16.395 -0.893) 27.237 2.817 ( 1.012 0.179 -11.155) 11.202 2.911 ( 1.046 -2.443 3.857) 4.684 3.027 ( 3.760 1.279 -6.106) 7.284 3.152 ( 3.927 -4.282 3.141) 6.605 3.350 ( -5.489 -1.755 -4.719) 7.449 3.443 ( 2.080 -0.457 2.965) 3.650 3.499 ( 4.097 4.861 -3.414) 7.216 3.538 ( 1.716 6.795 0.682) 7.041 3.669 ( -1.814 2.093 -4.248) 5.071 3.912 ( -10.971 -2.328 7.337) 13.402 4.056 ( -1.630 -1.789 6.995) 7.402 4.162 ( -3.101 -0.856 6.375) 7.141 4.607 ( 4.178 -5.316 0.607) 6.789 4.620 ( 7.656 0.018 -0.527) 7.674 4.831 ( -2.349 3.088 -3.856) 5.470 5.055 ( -4.170 -7.789 2.063) 9.073 5.220 ( -2.637 -5.291 -1.128) 6.018 5.483 ( 4.658 1.931 4.395) 6.689 5.592 ( -5.336 -3.109 -2.047) 6.506 5.760 ( -0.867 5.700 5.998) 8.320 5.810 ( -6.394 -0.416 -1.323) 6.543 6.135 ( 10.148 6.567 -6.114) 13.546 6.492 ( 1.869 -3.361 -5.387) 6.619 6.561 ( -0.881 -9.103 -0.467) 9.158 7.023 ( -0.800 -4.397 12.145) 12.941 7.390 ( -6.264 -16.006 -2.858) 17.424 7.450 ( 1.219 1.901 2.089) 3.077 7.729 ( 0.854 -5.477 -7.894) 9.646 8.054 ( -3.656 -11.503 0.888) 12.103 8.292 ( 4.860 -6.360 4.650) 9.257 8.782 ( 3.268 3.516 12.392) 13.289 9.624 ( -1.741 2.131 -4.024) 4.875 9.876 ( -2.053 -5.465 -2.614) 6.396 10.154 ( -0.606 -7.266 -5.589) 9.186 10.187 ( 1.414 5.407 0.088) 5.589 10.655 ( -3.268 -2.369 -2.394) 4.693 10.776 ( 7.460 -3.859 -10.284) 13.278 11.191 ( 6.893 -19.805 0.455) 20.975 11.383 ( 6.993 -9.722 2.791) 12.297 11.898 ( 1.563 -19.315 2.748) 19.572 12.032 ( -4.170 5.861 0.366) 7.202 12.770 ( -5.306 -2.703 2.371) 6.410 12.837 ( -4.643 -2.134 2.977) 5.914 13.206 ( 4.435 -10.222 -6.408) 12.854 13.692 ( 0.034 5.204 1.549) 5.430 14.110 ( 7.523 11.533 1.106) 13.815 14.493 ( -2.191 14.451 1.280) 14.672 14.999 ( -0.498 12.940 -0.004) 12.949 15.631 ( 6.583 -14.420 -0.662) 15.865 15.944 ( 3.547 -6.777 2.082) 7.928 17.297 ( -14.666 11.067 -3.044) 18.623 17.526 ( -22.949 7.294 3.391) 24.318 18.028 ( 1.057 -20.263 0.746) 20.305 18.991 ( 22.663 -6.485 -25.303) 34.582 20.501 ( 2.515 6.358 -1.033) 6.915 21.355 ( -0.196 13.216 0.381) 13.223 23.365 ( -3.187 1.121 4.048) 5.273 23.546 ( 0.313 3.773 12.062) 12.642 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -25.492 -0.000 5.355) 26.048 1.301 ( -25.173 -0.000 6.199) 25.925 2.449 ( -25.621 -0.000 -0.381) 25.623 2.868 ( 5.923 0.000 6.372) 8.699 3.180 ( 1.524 0.000 -4.213) 4.481 3.229 ( -9.877 -0.000 -4.921) 11.035 3.345 ( -1.324 -0.000 6.274) 6.412 3.387 ( -3.245 -0.000 6.528) 7.290 3.497 ( 11.434 0.000 -15.622) 19.360 3.522 ( 0.792 0.000 0.189) 0.815 3.881 ( 0.711 0.000 1.886) 2.015 3.889 ( 2.837 0.000 -6.694) 7.270 4.091 ( -14.655 -0.000 8.370) 16.877 4.228 ( 5.379 0.000 -1.215) 5.514 4.431 ( -1.287 -0.000 6.377) 6.505 4.477 ( 5.762 0.000 1.235) 5.893 4.824 ( -4.652 -0.000 8.277) 9.494 5.026 ( 4.631 0.000 -3.979) 6.105 5.191 ( -5.510 -0.000 -4.050) 6.838 5.288 ( 1.812 0.000 -5.501) 5.791 5.618 ( -4.603 -0.000 -10.665) 11.617 5.845 ( 4.223 0.000 -0.892) 4.317 5.959 ( -8.211 -0.000 7.674) 11.238 5.992 ( -0.444 -0.000 0.280) 0.525 6.136 ( 4.674 0.000 12.082) 12.954 6.258 ( 13.326 0.000 2.818) 13.621 6.390 ( 16.188 0.000 1.676) 16.275 6.952 ( -4.457 -0.000 -0.981) 4.564 7.390 ( 0.624 0.000 -4.497) 4.540 7.712 ( -13.393 -0.000 1.458) 13.472 7.807 ( -0.363 -0.000 -2.057) 2.088 8.216 ( -0.127 -0.000 -3.046) 3.049 8.783 ( 8.780 0.000 0.043) 8.780 9.542 ( 1.537 0.000 -2.326) 2.788 9.828 ( 1.968 0.000 2.688) 3.331 10.181 ( 14.968 0.000 17.454) 22.994 10.323 ( 0.256 0.000 0.781) 0.822 10.386 ( -2.516 -0.000 -5.452) 6.004 10.597 ( 4.086 0.000 -5.908) 7.183 10.732 ( 1.825 0.000 -0.035) 1.825 10.877 ( 7.933 0.000 6.274) 10.114 10.959 ( 1.303 0.000 -0.472) 1.386 12.320 ( 1.326 0.000 -7.251) 7.371 12.501 ( -4.265 -0.000 3.971) 5.827 12.639 ( -2.267 -0.000 -6.999) 7.357 13.338 ( -8.742 -0.000 1.112) 8.813 13.993 ( -3.809 -0.000 -1.355) 4.043 14.548 ( 2.740 0.000 -1.880) 3.323 14.845 ( -7.014 -0.000 0.295) 7.020 15.134 ( 3.328 0.000 -0.286) 3.340 15.356 ( 8.739 0.000 -5.560) 10.358 16.075 ( -4.279 -0.000 4.184) 5.984 16.834 ( 3.825 0.000 -3.031) 4.880 17.016 ( 0.305 0.000 2.687) 2.704 17.980 ( -17.755 -0.000 -4.821) 18.398 19.238 ( -9.995 -0.000 -37.697) 39.000 20.648 ( 9.062 0.000 1.100) 9.128 21.841 ( 3.669 0.000 3.236) 4.892 23.445 ( -5.177 -0.000 3.783) 6.412 23.677 ( 5.027 0.000 20.753) 21.353 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -21.617 -10.775 4.324) 24.538 1.378 ( -21.094 -23.597 7.478) 32.522 2.284 ( -33.609 -11.357 1.325) 35.500 2.926 ( 0.297 -1.132 1.940) 2.265 3.092 ( -6.680 1.758 -3.644) 7.810 3.145 ( 3.705 4.387 -6.751) 8.863 3.360 ( -3.872 1.208 5.232) 6.620 3.406 ( 1.747 -2.502 1.153) 3.263 3.549 ( 2.174 -3.047 -1.623) 4.080 3.611 ( 8.692 -3.025 -5.533) 10.739 3.821 ( -0.909 5.277 1.045) 5.456 3.894 ( -0.790 1.718 -1.231) 2.256 4.062 ( -2.662 -1.639 7.458) 8.086 4.264 ( 2.296 0.929 -1.672) 2.989 4.390 ( -0.989 1.384 5.605) 5.857 4.552 ( 7.249 -2.543 1.431) 7.814 4.826 ( -3.911 -2.852 3.421) 5.928 4.996 ( 2.749 3.915 -2.593) 5.442 5.206 ( -2.564 1.649 -3.063) 4.321 5.295 ( 0.210 -6.987 -5.184) 8.703 5.558 ( -3.076 0.176 -7.011) 7.658 5.833 ( -6.502 2.558 3.571) 7.846 5.951 ( -0.903 -1.064 5.926) 6.089 6.082 ( -1.164 -9.034 -3.265) 9.676 6.294 ( 3.159 -6.400 7.558) 10.396 6.382 ( 13.352 -2.957 -0.441) 13.682 6.525 ( 11.372 -5.998 2.369) 13.073 6.970 ( -4.972 -6.431 0.487) 8.144 7.420 ( 1.030 -3.720 -2.092) 4.391 7.671 ( -12.280 -4.780 2.087) 13.341 7.765 ( -0.666 2.289 -2.095) 3.174 8.212 ( 3.094 0.643 0.876) 3.279 8.889 ( 10.084 -1.609 0.405) 10.220 9.597 ( 1.004 -4.189 -3.557) 5.586 9.880 ( 1.916 -4.240 3.018) 5.545 10.013 ( 3.148 16.682 7.462) 18.544 10.359 ( -3.320 1.390 -2.593) 4.436 10.505 ( 1.576 -6.255 -3.581) 7.378 10.641 ( 1.248 -4.488 -2.962) 5.521 10.760 ( 8.027 -1.633 -1.420) 8.314 10.993 ( 7.553 -6.705 5.852) 11.673 11.161 ( 2.139 -16.800 1.684) 17.019 12.274 ( -0.133 3.941 -8.207) 9.106 12.519 ( -3.899 -4.641 3.597) 7.048 12.677 ( 2.787 -8.389 -9.846) 13.232 13.219 ( -11.590 4.631 1.006) 12.521 13.910 ( -2.965 5.300 -0.291) 6.080 14.483 ( 4.503 8.389 -0.412) 9.530 14.824 ( -5.117 -1.849 1.249) 5.582 15.179 ( 1.070 2.901 -5.609) 6.405 15.331 ( 6.060 0.787 2.078) 6.455 15.981 ( -3.165 6.496 2.933) 7.798 17.005 ( 1.504 -14.885 -2.403) 15.153 17.296 ( 6.368 -23.870 5.945) 25.411 17.784 ( -18.556 4.109 -4.822) 19.608 18.992 ( -9.755 4.952 -44.242) 45.575 20.692 ( 8.009 3.296 0.476) 8.674 21.792 ( 2.191 9.201 3.495) 10.083 23.406 ( -4.486 0.844 3.250) 5.604 23.729 ( 5.554 5.400 24.075) 25.291 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -13.968 -19.849 5.253) 24.833 1.601 ( -25.022 -18.417 1.473) 31.104 2.466 ( -16.031 -31.243 4.328) 35.382 2.878 ( -3.894 2.061 -3.958) 5.923 3.069 ( -3.076 1.373 -8.728) 9.355 3.114 ( 5.303 -1.326 0.768) 5.520 3.305 ( -0.414 1.609 -0.819) 1.852 3.463 ( 3.069 -0.249 -1.907) 3.622 3.615 ( -3.322 -4.499 1.998) 5.939 3.640 ( 6.360 5.737 -3.285) 9.174 3.704 ( 1.126 8.109 1.429) 8.311 3.843 ( -0.008 2.812 2.368) 3.676 4.092 ( -2.393 -0.753 9.309) 9.641 4.174 ( -4.056 5.355 3.435) 7.545 4.501 ( 4.788 -9.069 0.872) 10.292 4.678 ( 8.764 -2.824 -1.106) 9.274 4.845 ( -3.213 -0.479 -5.482) 6.373 4.971 ( 2.680 0.162 -0.275) 2.698 5.123 ( -5.819 0.536 -0.669) 5.882 5.428 ( -1.204 -8.084 -6.393) 10.377 5.541 ( -0.704 -0.316 1.814) 1.971 5.742 ( -7.114 1.354 3.609) 8.092 5.897 ( -3.015 6.476 7.859) 10.621 6.223 ( 3.381 -5.684 -7.298) 9.849 6.413 ( 0.179 -5.429 -5.366) 7.635 6.464 ( 7.531 0.304 -2.379) 7.903 6.860 ( 3.394 -16.775 12.989) 21.486 7.089 ( -4.926 -11.232 0.113) 12.265 7.504 ( 3.770 -1.186 2.414) 4.631 7.607 ( -8.440 -1.793 -3.011) 9.139 7.827 ( -2.441 -10.160 -0.888) 10.486 8.274 ( 6.760 -2.685 4.553) 8.582 8.921 ( 4.019 5.828 6.857) 9.856 9.631 ( -2.481 -0.631 -4.643) 5.302 9.791 ( -6.375 4.625 -3.008) 8.431 10.023 ( 2.400 -7.357 0.849) 7.785 10.306 ( 4.323 3.731 0.211) 5.714 10.555 ( -2.363 -2.551 -10.043) 10.628 10.757 ( 2.308 -6.490 -1.079) 6.973 10.934 ( 9.988 -12.097 -1.552) 15.764 11.229 ( 4.614 -12.240 4.896) 13.967 11.530 ( 1.428 -22.080 -0.473) 22.131 12.151 ( 0.608 7.877 -4.021) 8.865 12.619 ( -2.929 -8.602 3.868) 9.876 12.863 ( 3.370 -0.883 0.433) 3.511 13.049 ( -7.498 -3.449 -9.998) 12.964 13.794 ( -0.281 5.884 1.490) 6.077 14.363 ( 6.428 10.405 3.994) 12.866 14.737 ( -0.478 11.678 0.643) 11.705 15.081 ( -3.902 0.349 -2.063) 4.428 15.496 ( 6.981 -8.333 1.851) 11.027 15.885 ( -1.554 0.244 1.624) 2.261 17.221 ( -8.864 -6.764 -1.633) 11.268 17.504 ( -17.104 7.644 2.938) 18.964 17.732 ( 0.182 -14.883 2.715) 15.130 18.927 ( 15.505 -11.259 -44.107) 48.089 20.655 ( 5.310 6.993 -0.043) 8.780 21.587 ( -2.488 13.927 3.296) 14.526 23.365 ( -3.472 0.916 3.116) 4.754 23.688 ( 2.045 7.775 20.976) 22.464 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -24.646 -0.000 10.506) 26.792 0.952 ( -24.059 -0.000 15.532) 28.638 1.847 ( -47.245 -0.000 5.048) 47.514 2.916 ( -1.229 -0.000 -0.315) 1.269 3.003 ( -11.307 -0.000 -6.369) 12.977 3.220 ( 3.288 0.000 -0.770) 3.377 3.374 ( -0.695 -0.000 -0.101) 0.703 3.406 ( 5.383 0.000 -0.398) 5.398 3.556 ( 0.770 0.000 3.846) 3.922 3.593 ( 8.370 0.000 -8.678) 12.057 3.836 ( -4.385 -0.000 5.197) 6.800 3.951 ( 5.891 0.000 0.040) 5.891 4.066 ( 2.360 0.000 3.572) 4.281 4.283 ( -0.007 -0.000 -2.490) 2.490 4.411 ( -0.141 -0.000 4.869) 4.871 4.593 ( 7.507 0.000 2.016) 7.773 4.792 ( -3.424 -0.000 7.520) 8.263 5.069 ( -7.365 -0.000 -3.856) 8.314 5.123 ( 6.348 0.000 -2.445) 6.803 5.237 ( -3.373 -0.000 -8.225) 8.890 5.541 ( 0.290 0.000 -4.200) 4.210 5.858 ( -8.511 -0.000 11.223) 14.085 5.895 ( 3.363 0.000 -7.730) 8.430 5.957 ( -1.211 -0.000 -4.084) 4.259 6.292 ( 5.842 0.000 14.955) 16.055 6.437 ( 8.696 0.000 -5.756) 10.429 6.601 ( 10.229 0.000 -1.127) 10.291 6.865 ( -6.343 -0.000 3.634) 7.310 7.369 ( -1.480 -0.000 -0.566) 1.585 7.534 ( -10.019 -0.000 3.174) 10.510 7.803 ( -0.102 -0.000 2.578) 2.580 8.260 ( 6.416 0.000 -0.364) 6.426 8.932 ( 10.926 0.000 -5.336) 12.159 9.571 ( 2.699 0.000 -2.470) 3.658 9.860 ( 0.221 0.000 3.539) 3.546 10.301 ( -3.872 -0.000 -2.281) 4.494 10.326 ( -0.456 -0.000 -1.822) 1.878 10.453 ( 8.122 0.000 5.858) 10.014 10.672 ( 11.348 0.000 -1.906) 11.507 10.715 ( -3.492 -0.000 0.833) 3.590 11.008 ( 4.058 0.000 -0.946) 4.167 11.046 ( 7.674 0.000 10.173) 12.742 12.250 ( -6.344 -0.000 -25.553) 26.329 12.458 ( -2.917 -0.000 3.659) 4.679 12.494 ( -9.280 -0.000 -21.173) 23.117 13.185 ( -11.112 -0.000 7.133) 13.204 13.935 ( -2.550 -0.000 0.353) 2.575 14.608 ( 6.453 0.000 2.246) 6.833 14.732 ( -6.956 -0.000 0.342) 6.965 15.186 ( 3.162 0.000 -0.122) 3.165 15.470 ( 8.575 0.000 -5.258) 10.059 16.027 ( -4.344 -0.000 3.481) 5.566 16.882 ( 3.600 0.000 -2.724) 4.515 17.032 ( 0.199 0.000 2.427) 2.435 17.675 ( -17.111 -0.000 -1.043) 17.143 18.775 ( -24.619 -0.000 -51.675) 57.239 20.789 ( 7.756 0.000 -0.260) 7.760 21.916 ( 3.846 0.000 0.610) 3.894 23.385 ( -4.118 -0.000 2.836) 5.000 23.946 ( 14.834 0.000 35.485) 38.461 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -16.658 -15.362 13.851) 26.558 1.066 ( -23.989 -20.742 7.524) 32.593 1.718 ( -35.393 -28.134 14.684) 47.537 2.865 ( -4.075 1.406 -7.019) 8.237 2.961 ( -6.528 -3.634 -6.622) 9.983 3.199 ( 5.091 3.370 -3.141) 6.867 3.350 ( -0.914 1.663 3.475) 3.959 3.459 ( 2.915 -1.084 -0.877) 3.232 3.563 ( -0.305 -0.783 -0.452) 0.954 3.712 ( 6.023 -2.775 -1.572) 6.815 3.826 ( 2.982 1.362 2.620) 4.197 3.932 ( 4.146 5.497 2.431) 7.302 4.101 ( 1.451 0.050 4.222) 4.465 4.219 ( -6.707 3.728 0.003) 7.674 4.435 ( 4.445 -1.032 2.094) 5.021 4.677 ( 6.827 -2.950 0.179) 7.440 4.796 ( -0.428 -1.086 0.973) 1.520 4.983 ( -2.297 -0.358 -3.900) 4.540 5.155 ( -3.044 4.999 -2.383) 6.319 5.251 ( -0.407 -7.847 -8.139) 11.313 5.541 ( 1.869 -0.092 3.221) 3.725 5.751 ( -5.410 4.228 6.150) 9.217 5.960 ( -1.399 0.815 1.812) 2.429 6.038 ( -0.477 -11.248 -6.717) 13.110 6.332 ( -0.295 -0.642 -2.873) 2.959 6.557 ( 8.527 -2.458 -0.945) 8.924 6.682 ( 6.656 -6.457 3.590) 9.944 6.895 ( -5.708 -6.843 6.220) 10.867 7.424 ( -1.288 -6.343 2.083) 6.799 7.521 ( -6.884 -4.288 1.959) 8.344 7.740 ( -2.744 4.078 1.782) 5.229 8.319 ( 8.848 -0.395 2.907) 9.322 9.038 ( 8.322 0.135 -3.258) 8.938 9.571 ( -3.635 0.523 -3.487) 5.064 9.898 ( -3.195 2.441 0.739) 4.088 9.990 ( -5.735 12.438 2.826) 13.985 10.343 ( 2.385 -2.528 -1.408) 3.750 10.500 ( 0.420 -0.344 -9.379) 9.395 10.651 ( 0.202 -2.192 4.568) 5.071 10.892 ( 8.898 -5.461 -4.693) 11.447 11.073 ( 1.364 -8.220 -2.358) 8.659 11.225 ( 2.612 -12.205 3.605) 12.992 12.226 ( -0.289 -3.574 -16.868) 17.245 12.471 ( -2.765 -6.200 -0.994) 6.861 12.608 ( -1.064 -22.163 -23.555) 32.360 13.048 ( -10.493 8.092 9.258) 16.164 13.884 ( -0.884 3.980 1.306) 4.281 14.605 ( 8.729 8.411 8.526) 14.821 14.762 ( -1.165 -6.276 1.296) 6.513 15.154 ( -1.971 11.059 -5.420) 12.473 15.426 ( 3.588 -2.059 6.384) 7.607 15.929 ( -4.667 5.350 1.466) 7.249 17.016 ( 1.061 -10.207 -1.467) 10.367 17.432 ( 0.307 -18.456 -7.721) 20.008 17.523 ( -4.640 -1.568 12.340) 13.276 18.566 ( -12.256 -19.197 -59.240) 63.467 20.804 ( 5.750 4.371 -0.521) 7.242 21.813 ( -2.126 12.454 0.575) 12.648 23.357 ( -3.251 0.495 2.684) 4.245 23.997 ( 10.809 16.194 35.661) 40.630 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -17.584 -0.000 20.946) 27.348 0.675 ( -23.244 -0.000 19.583) 30.394 1.167 ( -39.479 -0.000 31.771) 50.675 2.833 ( -4.963 -0.000 -10.184) 11.329 2.852 ( -3.527 -0.000 -8.214) 8.939 3.268 ( 2.649 0.000 -0.388) 2.677 3.344 ( -2.210 -0.000 -3.319) 3.987 3.464 ( 1.029 0.000 -1.001) 1.435 3.558 ( -2.505 -0.000 3.884) 4.621 3.701 ( 7.901 0.000 -1.909) 8.129 3.870 ( 5.625 0.000 7.947) 9.736 4.051 ( 5.033 0.000 4.454) 6.721 4.108 ( 1.562 0.000 -1.224) 1.985 4.197 ( -6.454 -0.000 -3.326) 7.261 4.527 ( 10.506 0.000 2.037) 10.702 4.707 ( 3.093 0.000 3.877) 4.959 4.803 ( 2.703 0.000 5.243) 5.899 4.927 ( -8.181 -0.000 -3.149) 8.766 5.121 ( 3.920 0.000 -11.333) 11.991 5.215 ( -0.226 -0.000 4.582) 4.587 5.583 ( 3.879 0.000 4.594) 6.013 5.829 ( -0.624 -0.000 14.499) 14.512 5.850 ( -1.217 -0.000 -13.574) 13.629 5.947 ( 1.432 0.000 -6.768) 6.918 6.434 ( -6.259 -0.000 -14.222) 15.538 6.439 ( 4.540 0.000 13.209) 13.968 6.716 ( 6.233 0.000 -5.240) 8.142 6.807 ( -5.383 -0.000 11.383) 12.592 7.349 ( -1.891 -0.000 5.072) 5.413 7.420 ( -5.410 -0.000 0.466) 5.430 7.826 ( 0.547 0.000 2.212) 2.279 8.400 ( 9.665 0.000 2.874) 10.084 9.065 ( 9.260 0.000 -8.792) 12.769 9.588 ( 1.109 0.000 -3.939) 4.092 9.872 ( -0.714 -0.000 4.303) 4.362 10.217 ( -3.779 -0.000 -4.538) 5.905 10.343 ( 2.163 0.000 1.543) 2.656 10.483 ( -2.387 -0.000 -11.551) 11.795 10.654 ( -4.099 -0.000 0.752) 4.167 10.769 ( -30.536 -0.000 -37.221) 48.145 11.047 ( -20.694 -0.000 -21.643) 29.944 11.052 ( 1.743 0.000 -0.388) 1.786 11.576 ( -16.595 -0.000 -8.048) 18.443 12.431 ( 6.558 0.000 -4.553) 7.983 12.443 ( -1.138 -0.000 3.510) 3.690 13.089 ( -6.126 -0.000 10.964) 12.559 13.913 ( -1.413 -0.000 0.457) 1.485 14.639 ( -4.462 -0.000 0.148) 4.465 14.859 ( 20.192 0.000 12.328) 23.658 15.228 ( 1.931 0.000 0.129) 1.936 15.636 ( 19.207 0.000 6.856) 20.394 15.955 ( -5.585 -0.000 1.063) 5.685 16.919 ( 2.432 0.000 -2.599) 3.559 17.043 ( -0.185 -0.000 2.342) 2.349 17.497 ( -5.577 -0.000 10.677) 12.046 17.946 ( -48.812 -0.000 -43.045) 65.081 20.883 ( 4.431 0.000 -0.707) 4.487 21.915 ( -4.063 -0.000 -8.587) 9.500 23.343 ( -2.541 -0.000 2.511) 3.573 24.516 ( 33.599 0.000 31.386) 45.978 ======================= Grid point 205 (87/172) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 7.717 0.000 19.918) 21.361 1.116 ( 0.754 0.000 25.526) 25.537 2.088 ( -6.482 -0.000 42.842) 43.330 2.375 ( -2.285 -0.000 -21.248) 21.371 2.503 ( 9.479 0.000 -10.000) 13.779 3.250 ( 0.850 0.000 -3.046) 3.162 3.320 ( -6.791 -0.000 5.942) 9.024 3.451 ( -0.918 -0.000 -0.131) 0.927 3.479 ( -4.898 -0.000 -3.456) 5.995 3.678 ( 8.474 0.000 -9.499) 12.730 3.939 ( -7.412 -0.000 -3.675) 8.273 4.033 ( 6.241 0.000 -6.020) 8.672 4.082 ( -3.564 -0.000 -0.511) 3.601 4.235 ( 0.495 0.000 -17.980) 17.986 4.404 ( 5.889 0.000 13.067) 14.332 4.699 ( -8.283 -0.000 -2.536) 8.663 4.851 ( -3.651 -0.000 5.115) 6.284 4.967 ( 6.472 0.000 0.423) 6.486 5.147 ( -6.481 -0.000 -2.253) 6.861 5.164 ( -2.130 -0.000 0.555) 2.201 5.499 ( -0.545 -0.000 -10.750) 10.763 5.747 ( -0.509 -0.000 -7.303) 7.321 5.802 ( 1.440 0.000 4.843) 5.052 5.943 ( -2.436 -0.000 1.887) 3.081 6.485 ( 15.903 0.000 6.144) 17.048 6.590 ( -4.845 -0.000 -4.413) 6.554 6.733 ( 3.722 0.000 6.152) 7.190 7.122 ( -2.730 -0.000 14.412) 14.668 7.308 ( -8.176 -0.000 0.288) 8.181 7.573 ( 2.926 0.000 8.915) 9.383 7.626 ( -8.616 -0.000 -2.115) 8.872 8.609 ( -0.735 -0.000 5.958) 6.003 8.904 ( 5.826 0.000 -11.813) 13.171 9.397 ( -1.562 -0.000 -3.789) 4.098 9.417 ( -1.337 -0.000 -8.177) 8.286 9.961 ( -1.103 -0.000 6.777) 6.866 10.065 ( -0.658 -0.000 -3.352) 3.416 10.433 ( 2.992 0.000 -2.913) 4.176 10.475 ( 4.221 0.000 3.867) 5.725 10.589 ( -3.621 -0.000 -1.196) 3.814 10.753 ( -1.883 -0.000 -11.632) 11.784 11.067 ( 0.281 0.000 -0.028) 0.282 11.988 ( 6.163 0.000 4.708) 7.755 12.482 ( 3.703 0.000 -2.062) 4.238 12.518 ( -0.871 -0.000 3.178) 3.296 13.212 ( 0.490 0.000 4.327) 4.354 13.877 ( 0.279 0.000 -0.609) 0.670 14.600 ( -0.140 -0.000 -0.028) 0.142 15.077 ( -1.978 -0.000 3.373) 3.910 15.252 ( 0.139 0.000 0.306) 0.336 15.947 ( -3.134 -0.000 3.511) 4.706 16.177 ( 7.002 0.000 -4.155) 8.142 16.892 ( 0.656 0.000 -1.586) 1.716 17.059 ( 1.135 0.000 -7.225) 7.314 17.083 ( -0.581 -0.000 1.343) 1.463 18.080 ( 21.214 0.000 5.585) 21.937 20.954 ( 2.418 0.000 0.967) 2.604 21.596 ( -8.120 -0.000 -3.732) 8.937 23.381 ( -0.657 -0.000 2.292) 2.384 24.777 ( -7.791 -0.000 0.473) 7.805 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 17.461 -8.716 14.632) 24.392 1.392 ( 4.256 -18.130 22.156) 28.943 2.130 ( -5.208 -4.987 5.934) 9.339 2.439 ( 1.529 -9.294 -14.771) 17.519 2.730 ( 18.206 -13.094 13.675) 26.267 3.174 ( -5.214 2.439 -2.327) 6.209 3.319 ( -1.991 0.954 1.502) 2.670 3.419 ( -2.700 1.782 -0.440) 3.265 3.439 ( -4.723 -1.572 0.816) 5.044 3.726 ( 4.826 1.092 -8.288) 9.653 3.874 ( -4.633 0.762 -0.715) 4.749 4.049 ( -2.488 -0.978 -3.564) 4.455 4.076 ( 3.987 -1.083 -3.656) 5.517 4.213 ( 0.948 -0.380 -15.141) 15.175 4.463 ( 3.918 1.701 11.749) 12.502 4.615 ( -5.454 2.094 -1.119) 5.948 4.811 ( -4.450 3.395 6.492) 8.572 4.940 ( -4.640 4.488 -0.578) 6.481 5.080 ( 1.862 -2.258 -3.904) 4.879 5.121 ( -2.231 0.423 0.122) 2.274 5.520 ( 1.376 -3.534 -6.543) 7.562 5.788 ( -3.077 -4.079 0.217) 5.114 5.867 ( -2.474 -6.338 -2.009) 7.094 5.980 ( 9.406 -1.704 -0.184) 9.561 6.426 ( -1.825 9.689 5.476) 11.278 6.519 ( 5.232 5.761 -7.427) 10.758 6.894 ( 4.010 -11.355 3.808) 12.630 7.129 ( -12.716 -1.810 17.968) 22.086 7.392 ( -3.230 -13.468 -3.242) 14.224 7.532 ( -4.176 1.456 1.311) 4.612 7.694 ( 3.245 -6.604 6.731) 9.972 8.575 ( -3.989 3.039 5.874) 7.723 8.988 ( 3.972 -5.845 -7.071) 9.997 9.417 ( 7.774 1.365 -5.448) 9.590 9.504 ( 0.175 -5.782 -6.217) 8.492 9.913 ( -0.210 4.769 1.185) 4.919 10.188 ( -0.631 -6.657 -2.699) 7.211 10.559 ( 3.861 -5.906 1.820) 7.287 10.649 ( -3.261 -8.890 -1.533) 9.593 10.713 ( 2.874 -19.134 -8.537) 21.148 10.743 ( 0.601 -15.459 -5.580) 16.446 11.153 ( -0.415 -9.641 0.241) 9.653 12.118 ( 4.056 -8.703 -1.408) 9.705 12.461 ( -3.212 1.309 -2.660) 4.371 12.561 ( -0.302 -4.635 3.108) 5.588 13.158 ( 5.063 9.009 2.890) 10.731 13.843 ( 2.490 5.027 -0.506) 5.633 14.680 ( 2.302 -7.574 0.345) 7.924 14.955 ( -5.021 11.499 5.094) 13.542 15.245 ( -0.241 2.873 -0.913) 3.024 15.799 ( -18.014 9.291 2.991) 20.488 15.929 ( 2.171 10.578 2.970) 11.200 17.019 ( 6.645 3.776 -3.117) 8.254 17.067 ( 2.239 -12.836 -0.593) 13.043 17.305 ( 8.833 -8.296 -8.670) 14.901 18.455 ( 24.472 -18.959 -11.962) 33.188 20.914 ( -1.473 5.029 -0.077) 5.241 21.475 ( -4.819 6.829 0.787) 8.395 23.383 ( 0.115 0.072 2.384) 2.388 24.538 ( -12.692 15.259 9.049) 21.813 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 20.001 -13.339 8.611) 25.537 1.779 ( 4.665 -14.902 17.759) 23.647 2.276 ( -0.486 -15.027 -10.034) 18.076 2.617 ( 8.988 -9.667 -13.187) 18.658 3.081 ( -7.369 -1.440 -3.975) 8.496 3.119 ( 4.895 -3.967 4.059) 7.495 3.269 ( 1.842 3.282 -0.324) 3.777 3.350 ( -5.803 1.943 1.411) 6.280 3.545 ( 4.779 -14.306 14.013) 20.588 3.668 ( -0.991 4.153 -0.853) 4.354 3.852 ( -0.463 0.659 4.102) 4.180 3.995 ( -2.648 5.991 0.010) 6.550 4.050 ( -0.973 5.887 4.127) 7.255 4.265 ( -0.350 -10.111 -17.480) 20.196 4.422 ( 1.841 8.216 8.379) 11.879 4.603 ( -0.256 -3.113 -0.954) 3.266 4.724 ( 0.919 1.879 -4.199) 4.691 4.864 ( -4.454 -0.974 -3.800) 5.935 5.095 ( -0.656 -2.058 -0.373) 2.192 5.205 ( 4.190 -4.789 -2.602) 6.875 5.572 ( 1.907 -0.550 0.385) 2.022 5.806 ( -2.363 2.310 4.190) 5.336 5.958 ( 0.271 -7.398 -1.438) 7.541 6.132 ( 5.974 -6.208 -0.849) 8.657 6.274 ( -0.831 4.953 -4.930) 7.037 6.452 ( 3.859 2.885 -4.322) 6.473 7.092 ( -11.070 -1.576 15.855) 19.401 7.166 ( 3.267 -13.482 1.964) 14.010 7.481 ( -6.586 -0.423 1.088) 6.688 7.631 ( -3.658 -16.082 -3.204) 16.801 7.893 ( 5.204 -10.235 4.758) 12.428 8.491 ( -6.922 2.435 6.435) 9.760 9.070 ( -2.296 -1.600 5.078) 5.798 9.437 ( 6.491 0.970 -7.680) 10.102 9.606 ( 7.270 -5.643 -4.712) 10.339 9.845 ( 0.993 1.747 -5.785) 6.124 10.251 ( 1.132 -2.756 -1.497) 3.334 10.618 ( -5.044 -0.709 -5.331) 7.373 10.706 ( 2.904 -3.811 -0.151) 4.793 10.972 ( -1.396 -20.297 1.603) 20.408 11.260 ( -6.394 -24.862 -4.260) 26.022 11.393 ( -0.974 -13.953 0.115) 13.988 12.313 ( 1.499 -9.604 -2.241) 9.976 12.459 ( -2.220 -7.988 -3.143) 8.867 12.681 ( -0.368 -8.212 3.049) 8.768 13.028 ( 8.823 10.270 -1.206) 13.593 13.740 ( 2.463 8.706 -0.240) 9.051 14.650 ( -4.226 16.739 7.694) 18.901 14.885 ( 3.128 -8.254 1.818) 9.012 15.042 ( -8.616 13.080 -4.508) 16.299 15.714 ( -12.384 -11.619 3.535) 17.345 15.786 ( 1.161 8.140 0.598) 8.244 17.008 ( 16.526 6.663 -0.974) 17.845 17.207 ( 8.847 7.194 0.818) 11.432 17.556 ( 2.480 -22.928 -7.071) 24.122 18.894 ( 10.188 -16.794 -22.139) 29.597 20.768 ( -4.501 8.029 -1.040) 9.264 21.295 ( -0.158 11.786 3.442) 12.279 23.391 ( 0.600 0.009 2.691) 2.757 24.186 ( -10.839 15.379 12.722) 22.712 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 18.496 -13.965 2.457) 23.306 2.083 ( 5.334 -13.336 8.931) 16.913 2.544 ( 0.052 -15.078 -6.983) 16.617 2.843 ( 11.317 -8.819 -10.057) 17.521 2.987 ( -4.688 3.848 -8.639) 10.556 3.100 ( -1.932 1.660 -0.891) 2.699 3.178 ( -7.349 4.275 -1.686) 8.667 3.306 ( -3.005 -0.718 0.492) 3.129 3.556 ( -0.939 6.393 0.943) 6.530 3.773 ( -1.927 9.673 9.102) 13.421 3.803 ( -3.975 6.757 1.055) 7.910 3.948 ( 0.407 -3.154 5.623) 6.460 4.054 ( 4.898 -6.222 8.262) 11.444 4.329 ( 0.835 -3.224 11.464) 11.938 4.363 ( 1.079 -1.070 -1.947) 2.470 4.672 ( 1.582 -7.918 -9.424) 12.410 4.813 ( 4.858 -8.923 -5.551) 11.578 4.926 ( 4.026 -7.455 -8.864) 12.262 5.125 ( -3.435 -2.542 2.221) 4.816 5.288 ( 4.142 -0.580 -1.043) 4.310 5.563 ( -0.289 2.815 2.945) 4.084 5.699 ( -2.741 6.996 7.024) 10.285 6.052 ( 2.544 -0.180 0.795) 2.671 6.136 ( -3.854 3.511 -7.528) 9.157 6.325 ( 7.532 -5.526 -6.128) 11.173 6.507 ( 3.569 -6.127 -1.648) 7.280 7.077 ( -5.382 -0.722 13.078) 14.160 7.401 ( 3.244 -8.849 -1.988) 9.633 7.444 ( -7.470 -1.996 3.141) 8.345 7.836 ( -5.922 -10.792 -3.208) 12.721 8.154 ( 4.561 -14.181 1.140) 14.940 8.435 ( -7.276 -1.176 8.181) 11.012 9.044 ( -4.544 2.343 13.367) 14.311 9.451 ( 0.367 -1.199 -9.017) 9.104 9.746 ( 12.463 -0.760 -6.575) 14.112 9.891 ( 3.720 -6.884 -4.783) 9.170 10.311 ( -0.237 -3.347 -1.369) 3.624 10.548 ( -5.475 0.723 -8.205) 9.891 10.810 ( 5.012 -4.262 -0.728) 6.619 11.332 ( -3.791 -16.783 1.651) 17.285 11.423 ( -10.754 -1.341 -2.851) 11.206 11.601 ( -2.524 -20.093 1.994) 20.349 12.421 ( 0.168 2.018 6.632) 6.934 12.624 ( 8.309 -5.756 -1.609) 10.235 12.858 ( -3.842 -13.264 2.299) 14.000 13.066 ( 4.056 -12.395 -6.581) 14.608 13.589 ( 1.423 9.605 -0.183) 9.712 14.354 ( -2.551 15.076 7.000) 16.816 14.649 ( -12.713 16.884 -2.278) 21.257 15.001 ( 4.678 5.784 1.302) 7.552 15.715 ( -4.869 -5.486 -2.431) 7.727 15.921 ( -7.207 -17.096 2.881) 18.775 17.029 ( 18.163 12.084 -3.402) 22.079 17.078 ( 17.497 11.453 0.497) 20.918 18.022 ( 0.740 -26.900 -0.873) 26.924 19.090 ( -3.858 -8.708 -19.527) 21.726 20.582 ( -3.864 8.304 -1.575) 9.294 21.085 ( 2.653 13.397 1.969) 13.798 23.406 ( 0.799 -0.343 3.286) 3.399 23.905 ( -7.960 11.028 10.625) 17.259 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 4.908 -10.943 -2.254) 12.203 2.443 ( 15.022 -12.894 2.099) 19.908 2.691 ( -2.733 -3.867 -5.923) 7.584 2.816 ( -1.365 10.448 -0.811) 10.568 2.938 ( -1.642 6.129 -1.598) 6.543 3.103 ( -0.960 -5.008 -7.231) 8.849 3.157 ( -1.938 -9.561 -0.543) 9.771 3.320 ( -3.669 -3.517 -1.764) 5.380 3.438 ( -0.197 4.886 0.050) 4.890 3.584 ( -0.200 11.454 7.442) 13.661 3.670 ( -1.162 4.692 -1.021) 4.940 3.950 ( 1.344 5.026 3.987) 6.555 4.014 ( -3.777 0.660 0.799) 3.917 4.336 ( 3.434 3.093 -1.055) 4.741 4.672 ( 4.641 -12.187 9.164) 15.939 4.840 ( -0.498 -11.934 3.771) 12.526 5.011 ( 5.103 -9.007 -5.464) 11.705 5.097 ( -0.754 -7.233 -3.963) 8.282 5.164 ( 0.523 -4.475 0.113) 4.507 5.283 ( 2.223 0.210 -0.545) 2.298 5.459 ( -2.663 8.452 8.087) 11.997 5.633 ( 2.356 1.033 2.314) 3.460 5.989 ( -5.640 6.388 -7.249) 11.188 6.032 ( 1.543 3.442 -3.434) 5.101 6.439 ( 5.490 -2.178 -4.255) 7.280 6.640 ( 2.306 -4.892 -0.512) 5.432 7.100 ( 1.743 -0.838 8.798) 9.008 7.401 ( -9.596 -2.185 2.951) 10.274 7.558 ( 6.000 -3.367 -2.404) 7.288 7.895 ( -8.129 -3.999 -3.139) 9.588 8.424 ( 3.728 -10.546 -0.623) 11.203 8.443 ( -5.635 -2.450 8.733) 10.678 9.024 ( -0.391 0.535 16.525) 16.538 9.435 ( -6.746 -2.308 -8.963) 11.453 9.846 ( 17.815 0.472 -7.036) 19.160 10.029 ( 1.290 -5.041 0.027) 5.203 10.278 ( -11.375 1.904 -4.398) 12.343 10.549 ( 5.551 -3.387 -8.346) 10.580 10.942 ( 6.492 -6.736 -4.160) 10.238 11.156 ( -10.877 10.876 -2.841) 15.642 11.678 ( -7.209 -18.227 2.419) 19.749 11.920 ( 0.481 -13.824 4.268) 14.476 12.288 ( 6.247 12.913 3.377) 14.737 12.787 ( 5.389 -4.552 0.407) 7.066 13.085 ( -2.129 -13.460 4.553) 14.368 13.380 ( -1.430 -18.012 -2.988) 18.314 13.459 ( -0.831 2.360 -1.545) 2.940 14.108 ( -3.547 12.671 5.478) 14.252 14.261 ( -7.451 14.933 -2.214) 16.835 14.799 ( 2.991 17.207 0.785) 17.483 15.863 ( -4.639 -13.284 -0.130) 14.072 16.154 ( -8.039 -13.588 0.560) 15.798 16.844 ( 12.291 15.032 -1.650) 19.488 17.135 ( 19.411 4.548 -4.046) 20.343 18.442 ( 1.789 -18.034 2.123) 18.246 19.082 ( -9.338 -1.628 -12.004) 15.296 20.427 ( -1.158 6.243 -1.860) 6.616 20.908 ( 3.132 8.064 -2.254) 8.940 23.431 ( 0.594 -0.871 4.184) 4.315 23.720 ( -5.455 6.309 7.906) 11.492 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -2.984 9.164 -0.973) 9.686 2.579 ( -4.389 5.303 -1.377) 7.020 2.682 ( 0.099 0.387 -3.541) 3.564 2.766 ( 1.255 0.552 -4.206) 4.424 2.823 ( 8.499 -4.707 4.672) 10.780 3.141 ( -6.793 -2.540 -6.674) 9.856 3.294 ( -0.960 -5.431 4.173) 6.916 3.324 ( 1.642 -0.939 0.154) 1.898 3.418 ( 1.745 8.097 1.837) 8.484 3.485 ( -0.423 -6.068 -3.955) 7.255 3.632 ( 1.914 -2.158 -0.900) 3.022 3.899 ( 4.621 3.695 3.086) 6.673 4.030 ( -1.516 -4.438 -2.343) 5.243 4.319 ( 1.473 0.582 -1.822) 2.414 4.718 ( -0.632 6.283 7.300) 9.652 4.928 ( -10.903 4.423 1.752) 11.896 5.100 ( -1.118 1.274 5.851) 6.091 5.173 ( 2.501 -4.872 -3.055) 6.271 5.292 ( -1.984 4.063 -0.324) 4.533 5.305 ( -0.004 -8.990 11.194) 14.357 5.473 ( 6.933 -11.297 -4.361) 13.954 5.658 ( 3.063 1.288 -0.590) 3.375 5.827 ( -5.939 3.256 -4.739) 8.266 5.953 ( 0.914 4.219 -4.955) 6.572 6.465 ( 3.538 2.159 -3.628) 5.509 6.698 ( -0.169 -0.800 -0.811) 1.152 7.155 ( 2.523 -1.080 5.460) 6.111 7.399 ( -4.556 -3.600 3.049) 6.559 7.596 ( 0.639 1.971 -1.149) 2.370 7.866 ( -2.300 1.022 -2.941) 3.871 8.431 ( -5.251 2.074 5.953) 8.204 8.544 ( 4.333 -0.106 2.693) 5.103 9.088 ( 3.557 -0.309 16.477) 16.859 9.398 ( -7.718 -2.758 -9.065) 12.221 9.973 ( 15.035 0.680 -4.691) 15.765 10.035 ( -9.353 0.608 0.032) 9.372 10.163 ( 0.152 0.905 -6.032) 6.101 10.624 ( 4.340 -0.726 -9.509) 10.478 10.873 ( -8.698 10.574 -0.535) 13.703 11.141 ( 8.457 -10.065 -6.755) 14.780 11.850 ( 1.436 1.665 5.014) 5.475 12.030 ( -3.260 -4.804 2.475) 6.311 12.193 ( -0.734 3.245 2.414) 4.110 12.825 ( -1.329 2.147 1.064) 2.740 13.226 ( 1.080 1.229 6.238) 6.449 13.451 ( -0.558 -3.892 -2.621) 4.725 13.608 ( 0.584 -0.671 -0.602) 1.074 13.894 ( -0.565 3.440 2.369) 4.215 14.133 ( -1.868 -4.890 -1.489) 5.442 14.590 ( 1.127 4.320 1.179) 4.618 16.045 ( 0.350 -7.816 2.477) 8.207 16.179 ( 0.353 7.393 -2.636) 7.857 16.784 ( -2.733 -4.290 -0.392) 5.101 17.158 ( 2.550 1.611 -6.637) 7.290 18.633 ( 2.494 0.880 3.350) 4.268 18.998 ( 0.275 2.747 -7.396) 7.895 20.347 ( 0.319 1.580 -1.281) 2.059 20.877 ( 1.622 -3.800 -5.948) 7.242 23.453 ( -1.187 -0.031 4.773) 4.919 23.643 ( -1.974 0.287 6.808) 7.094 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -6.901 17.417 4.827) 19.346 2.301 ( -11.796 16.042 5.856) 20.756 2.668 ( 1.855 2.000 -4.087) 4.914 2.811 ( 2.176 -3.490 -4.248) 5.913 2.992 ( 6.320 -2.888 -0.618) 6.976 3.100 ( -5.761 -1.584 -7.808) 9.832 3.301 ( 3.149 4.429 -2.155) 5.847 3.383 ( 2.796 -3.994 -2.554) 5.504 3.436 ( 1.516 -6.949 1.622) 7.295 3.543 ( 1.355 -3.477 1.480) 4.014 3.760 ( 3.698 -1.352 3.478) 5.254 3.867 ( -0.824 -0.562 2.471) 2.665 4.121 ( 0.749 -4.523 -2.557) 5.249 4.336 ( -1.108 -1.707 -0.265) 2.052 4.523 ( -4.673 11.509 5.534) 13.599 4.774 ( -8.313 2.706 3.470) 9.405 4.938 ( 0.273 13.469 1.778) 13.589 5.190 ( -2.833 5.418 -0.912) 6.182 5.208 ( -2.597 0.543 -1.346) 2.975 5.529 ( 1.366 -8.798 4.154) 9.825 5.545 ( -3.627 5.422 -5.768) 8.707 5.715 ( -1.362 -8.781 1.071) 8.950 5.766 ( 2.500 0.702 -1.773) 3.144 5.972 ( 3.121 -5.374 -0.992) 6.293 6.410 ( 1.381 4.991 -5.765) 7.750 6.652 ( -2.154 4.831 -1.083) 5.399 7.213 ( -0.683 -3.570 5.586) 6.665 7.431 ( 0.002 0.945 -1.006) 1.381 7.515 ( -4.156 3.416 3.034) 6.177 7.824 ( 7.160 5.557 -1.149) 9.136 8.284 ( -3.848 11.684 2.966) 12.654 8.557 ( 5.942 3.564 5.968) 9.145 9.115 ( -0.935 2.627 14.918) 15.177 9.379 ( -4.570 -3.300 -9.048) 10.660 9.843 ( -9.916 5.314 -5.648) 12.588 10.135 ( 6.736 -0.983 1.300) 6.930 10.175 ( 9.850 -0.932 -2.558) 10.220 10.512 ( -4.595 8.442 -15.100) 17.900 10.748 ( 1.159 1.097 2.364) 2.853 11.365 ( 9.362 -7.862 -6.956) 14.066 11.685 ( 8.595 18.157 2.395) 20.231 11.980 ( -7.149 12.068 1.653) 14.124 12.228 ( -5.450 -11.534 5.853) 14.036 12.712 ( -6.995 6.830 2.561) 10.106 13.092 ( 1.292 12.504 3.533) 13.058 13.370 ( -0.022 14.090 -1.977) 14.228 13.582 ( 2.240 -2.595 -4.723) 5.836 14.067 ( 12.271 -11.431 4.298) 17.312 14.263 ( -4.307 -11.587 -0.387) 12.367 14.742 ( -0.572 -17.253 2.691) 17.471 15.940 ( 5.871 17.891 -2.742) 19.028 16.140 ( 6.597 3.717 1.661) 7.753 16.870 ( -13.315 -11.714 -3.291) 18.037 17.123 ( -19.308 -8.083 -3.249) 21.182 18.468 ( 1.105 18.163 3.238) 18.482 18.955 ( 15.809 9.369 -10.117) 20.978 20.386 ( 1.551 -5.352 -0.290) 5.579 21.023 ( -1.034 -13.053 -6.319) 14.539 23.433 ( -2.919 0.895 3.977) 5.013 23.713 ( 1.169 -6.020 8.595) 10.558 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -11.580 17.676 9.598) 23.209 1.927 ( -9.417 18.202 12.843) 24.185 2.589 ( 0.601 6.622 -8.531) 10.817 2.838 ( -3.583 1.032 -6.914) 7.856 3.038 ( 0.179 -4.202 -7.466) 8.569 3.097 ( 3.615 3.041 2.269) 5.241 3.249 ( 2.955 3.192 -4.941) 6.583 3.482 ( 2.995 -5.122 -5.302) 7.957 3.597 ( 1.162 -7.813 -0.024) 7.899 3.607 ( 2.955 15.786 11.406) 19.698 3.664 ( 0.844 -6.602 5.958) 8.933 3.935 ( -6.204 -0.722 4.546) 7.725 4.102 ( -0.894 -0.347 -0.355) 1.023 4.299 ( -5.352 0.446 7.506) 9.230 4.515 ( -0.812 -8.438 -4.769) 9.727 4.700 ( 0.537 6.325 -2.143) 6.700 4.753 ( 2.527 4.714 -1.671) 5.604 5.002 ( -2.828 10.932 -7.835) 13.744 5.140 ( -3.801 2.774 1.771) 5.028 5.374 ( -3.444 7.782 -7.139) 11.108 5.647 ( -2.783 -3.833 2.715) 5.460 5.759 ( -3.113 -3.371 8.538) 9.693 5.893 ( 2.459 -5.900 -0.941) 6.461 6.107 ( 3.618 -4.990 -0.916) 6.231 6.298 ( -0.794 5.474 -8.651) 10.268 6.501 ( -2.598 8.312 -2.094) 8.957 7.258 ( -2.847 2.658 5.005) 6.342 7.324 ( -3.097 4.502 6.701) 8.647 7.487 ( 3.945 1.962 -2.445) 5.039 7.768 ( 8.578 8.279 2.323) 12.146 8.007 ( -2.599 15.837 1.230) 16.096 8.553 ( 6.162 3.927 6.943) 10.079 9.075 ( -5.192 1.544 11.053) 12.309 9.406 ( -1.958 -4.630 -8.100) 9.533 9.660 ( -7.002 5.842 -4.458) 10.150 10.117 ( 0.765 3.794 -2.987) 4.889 10.282 ( -1.395 0.095 -4.419) 4.635 10.362 ( 9.674 1.648 -6.059) 11.533 10.765 ( 2.179 -0.523 -0.770) 2.369 11.350 ( 7.392 21.467 1.715) 22.769 11.533 ( 7.765 3.209 -3.197) 8.989 11.676 ( -5.528 14.506 -3.822) 15.987 12.276 ( 2.607 9.078 9.738) 13.566 12.643 ( -12.135 -11.067 0.865) 16.446 12.915 ( 1.957 9.089 1.947) 9.499 13.043 ( -0.113 21.039 -7.390) 22.299 13.667 ( -1.018 -6.719 -3.327) 7.567 14.392 ( 11.367 -12.071 6.800) 17.921 14.491 ( 0.122 -16.049 1.390) 16.109 15.016 ( -1.645 -9.683 1.566) 9.946 15.694 ( 4.733 11.225 -1.368) 12.258 16.029 ( 5.740 13.173 -0.939) 14.400 16.976 ( -12.521 -13.076 -2.338) 18.254 17.135 ( -26.351 -13.661 -0.885) 29.694 18.090 ( 0.180 24.277 -1.361) 24.316 18.824 ( 21.085 19.976 -12.552) 31.641 20.540 ( 3.686 -8.952 0.139) 9.682 21.253 ( -3.744 -15.886 -5.080) 17.094 23.407 ( -2.830 0.307 3.165) 4.257 23.904 ( 2.498 -11.676 11.470) 16.557 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -14.048 15.927 14.032) 25.454 1.588 ( -5.258 18.265 20.399) 27.881 2.404 ( -0.262 13.002 -7.729) 15.128 2.694 ( -10.806 4.524 -9.732) 15.229 2.873 ( -2.238 21.016 13.425) 25.038 3.138 ( 6.662 -2.503 -6.695) 9.771 3.259 ( 0.504 -4.238 -2.613) 5.004 3.474 ( 1.198 1.231 2.179) 2.774 3.564 ( -1.136 -2.647 -4.068) 4.984 3.648 ( -1.169 0.569 -0.862) 1.560 3.821 ( 4.139 -7.119 4.551) 9.408 3.966 ( 4.003 -4.121 1.207) 5.870 4.126 ( -6.951 -1.926 1.566) 7.381 4.279 ( -2.684 -0.951 9.809) 10.213 4.553 ( -2.493 9.675 -9.392) 13.712 4.595 ( -0.860 0.637 -3.673) 3.826 4.709 ( 3.756 -2.858 -3.821) 6.072 4.939 ( 6.440 -3.913 -5.322) 9.225 5.069 ( -4.773 2.849 1.488) 5.754 5.208 ( -1.541 5.883 -4.004) 7.281 5.648 ( -4.814 0.012 -0.536) 4.844 5.818 ( 0.541 -0.656 9.372) 9.411 5.956 ( -3.376 -1.356 -0.432) 3.663 6.095 ( 0.341 7.148 -5.223) 8.860 6.199 ( 1.255 3.258 -3.543) 4.974 6.433 ( 1.483 -3.811 -4.411) 6.015 7.072 ( -0.731 13.511 4.249) 14.182 7.273 ( -2.054 5.626 13.975) 15.204 7.498 ( 1.343 -1.533 -2.330) 3.095 7.667 ( 5.443 11.220 -0.944) 12.506 7.752 ( -1.999 9.241 3.759) 10.174 8.556 ( 4.700 2.250 7.232) 8.914 9.032 ( -2.102 2.426 2.085) 3.828 9.414 ( -3.104 0.768 -7.039) 7.731 9.584 ( -6.749 -5.838 -1.659) 9.077 10.018 ( -2.356 4.046 -7.929) 9.208 10.249 ( -0.283 -0.612 -5.963) 6.001 10.441 ( 8.872 0.932 2.204) 9.189 10.783 ( 0.649 -0.174 -2.191) 2.292 11.014 ( 3.458 19.480 -0.573) 19.793 11.290 ( 1.997 25.213 -4.600) 25.707 11.443 ( -0.456 13.889 -2.417) 14.105 12.193 ( 4.334 4.352 2.005) 6.461 12.581 ( 2.223 21.404 -9.160) 23.388 12.687 ( -4.362 7.025 0.276) 8.274 12.939 ( -6.171 -12.586 5.130) 14.927 13.770 ( -2.377 -6.771 -1.676) 7.369 14.700 ( 3.172 -12.163 7.590) 14.683 14.782 ( 4.839 -12.295 2.629) 13.471 15.003 ( 2.573 4.630 -1.409) 5.481 15.675 ( 5.432 0.155 4.124) 6.821 15.862 ( 0.668 4.628 -0.997) 4.782 17.083 ( -9.510 -8.460 -3.736) 13.265 17.147 ( -17.375 -6.109 1.831) 18.508 17.669 ( -3.870 18.298 -10.274) 21.339 18.521 ( 19.092 29.808 -7.956) 36.281 20.729 ( 4.764 -7.959 0.274) 9.280 21.471 ( -6.001 -13.900 -4.708) 15.855 23.391 ( -2.297 -0.065 2.656) 3.512 24.220 ( 3.293 -18.317 12.472) 22.403 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -7.034 10.226 19.032) 22.721 1.276 ( -2.982 18.687 23.180) 29.923 2.142 ( -4.439 12.521 26.269) 29.437 2.525 ( -6.405 3.985 -11.191) 13.496 2.571 ( 0.082 11.306 -8.610) 14.212 3.196 ( 2.895 -2.259 -2.434) 4.405 3.344 ( -1.517 -3.961 -0.452) 4.265 3.470 ( -3.391 0.718 1.986) 3.995 3.520 ( -3.562 1.122 -2.162) 4.315 3.665 ( 6.794 1.155 -9.441) 11.689 3.959 ( 3.993 -3.718 -0.329) 5.466 4.005 ( -2.151 0.482 -2.052) 3.012 4.099 ( -4.208 -0.669 1.409) 4.487 4.329 ( -0.103 2.457 -6.810) 7.240 4.332 ( 0.953 2.525 -1.150) 2.934 4.694 ( -3.417 -10.457 1.725) 11.136 4.804 ( 3.852 -2.439 2.883) 5.394 4.948 ( -0.754 3.993 2.314) 4.676 5.068 ( 6.206 -3.456 -4.910) 8.636 5.163 ( -3.179 -2.556 -1.909) 4.504 5.575 ( -3.871 2.929 -7.463) 8.903 5.801 ( 1.976 3.591 5.012) 6.474 5.879 ( 0.303 8.446 -6.139) 10.446 5.977 ( -7.405 -0.574 -0.876) 7.479 6.266 ( 10.992 -5.018 6.443) 13.693 6.538 ( 0.436 -6.283 -4.520) 7.752 6.844 ( 0.020 12.171 5.085) 13.191 7.176 ( -0.770 6.858 14.380) 15.950 7.445 ( -4.552 7.646 -0.379) 8.907 7.553 ( 0.110 1.014 4.289) 4.408 7.672 ( -1.345 0.943 0.411) 1.694 8.582 ( 2.217 -0.105 6.402) 6.776 8.953 ( 3.781 5.743 -8.573) 10.990 9.381 ( -3.458 -2.330 -4.147) 5.881 9.615 ( -11.486 -1.188 -6.375) 13.190 9.943 ( -1.977 -0.052 -1.893) 2.737 10.226 ( -1.571 4.239 -6.049) 7.551 10.470 ( 5.925 2.980 3.896) 7.692 10.683 ( -0.054 34.774 -8.108) 35.707 10.712 ( -3.819 9.144 -0.061) 9.910 10.806 ( 0.177 3.423 -10.157) 10.719 11.172 ( -2.146 11.397 -0.590) 11.613 12.043 ( 4.689 12.883 2.734) 13.979 12.425 ( 8.372 0.475 -1.985) 8.617 12.564 ( -1.654 4.824 2.938) 5.886 13.125 ( -3.825 -9.788 5.107) 11.683 13.848 ( -2.244 -4.269 -0.802) 4.889 14.681 ( -2.479 7.116 0.361) 7.544 14.995 ( -0.230 -8.931 2.423) 9.257 15.186 ( 7.367 -8.290 2.167) 11.300 15.781 ( 15.676 -10.631 6.646) 20.073 15.906 ( -1.906 -5.423 2.407) 6.231 17.026 ( 0.065 10.516 0.126) 10.517 17.098 ( -9.981 -4.101 -6.495) 12.595 17.358 ( -10.489 12.252 -12.836) 20.613 18.129 ( 16.268 24.791 6.404) 30.336 20.880 ( 4.371 -4.659 0.826) 6.441 21.602 ( -7.849 -7.975 -5.325) 12.392 23.383 ( -1.540 -0.094 2.379) 2.835 24.610 ( 1.037 -18.675 5.784) 19.578 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 8.528 0.000 22.536) 24.096 1.374 ( 24.023 0.000 11.137) 26.479 2.111 ( -2.893 -0.000 13.142) 13.457 2.282 ( 2.356 0.000 -19.158) 19.302 2.847 ( 26.666 0.000 14.438) 30.323 3.181 ( -6.509 -0.000 -4.724) 8.042 3.216 ( -9.642 -0.000 5.853) 11.279 3.403 ( -3.786 -0.000 2.370) 4.467 3.467 ( 3.727 0.000 -1.086) 3.882 3.759 ( 7.240 0.000 -9.983) 12.332 3.835 ( -5.092 -0.000 0.085) 5.093 3.986 ( 0.569 0.000 -17.835) 17.844 4.068 ( 0.621 0.000 -2.269) 2.353 4.257 ( 5.627 0.000 -5.295) 7.727 4.485 ( -7.916 -0.000 5.417) 9.592 4.569 ( -2.165 -0.000 3.759) 4.338 4.821 ( -2.091 -0.000 5.194) 5.599 4.951 ( -13.777 -0.000 4.774) 14.581 5.068 ( 6.185 0.000 -1.659) 6.403 5.102 ( -5.966 -0.000 1.199) 6.085 5.478 ( 2.942 0.000 -7.954) 8.480 5.728 ( 2.035 0.000 -5.053) 5.447 5.782 ( -3.443 -0.000 3.404) 4.841 6.054 ( 9.863 0.000 0.394) 9.871 6.442 ( -9.923 -0.000 -4.696) 10.979 6.658 ( 3.364 0.000 0.381) 3.386 6.838 ( 6.582 0.000 2.475) 7.032 7.039 ( -16.769 -0.000 19.660) 25.841 7.217 ( -2.250 -0.000 -4.467) 5.002 7.507 ( -6.049 -0.000 1.927) 6.349 7.678 ( 5.625 0.000 6.162) 8.343 8.622 ( 0.021 0.000 4.944) 4.944 8.936 ( 3.955 0.000 -8.819) 9.666 9.354 ( -1.904 -0.000 -7.444) 7.684 9.520 ( 8.756 0.000 -4.706) 9.940 10.033 ( 6.014 0.000 8.594) 10.490 10.064 ( 2.204 0.000 -2.725) 3.505 10.523 ( -2.744 -0.000 0.934) 2.899 10.534 ( 12.606 0.000 -4.530) 13.395 10.581 ( 5.902 0.000 0.782) 5.953 10.633 ( -6.469 -0.000 -9.822) 11.761 11.052 ( -2.238 -0.000 -0.411) 2.276 12.078 ( 4.435 0.000 -1.402) 4.651 12.436 ( -5.621 -0.000 -4.533) 7.221 12.515 ( -1.115 -0.000 3.145) 3.336 13.285 ( 5.235 0.000 2.759) 5.918 13.926 ( 5.883 0.000 -0.641) 5.918 14.638 ( 4.661 0.000 0.146) 4.663 15.037 ( -4.562 -0.000 5.986) 7.527 15.240 ( -1.822 -0.000 0.138) 1.827 15.696 ( -31.089 -0.000 -3.361) 31.270 16.085 ( 0.547 0.000 0.113) 0.558 16.884 ( -0.607 -0.000 -1.790) 1.891 17.072 ( -1.538 -0.000 1.528) 2.169 17.383 ( 27.778 0.000 -5.211) 28.263 18.501 ( 32.131 0.000 -17.998) 36.828 20.929 ( -5.908 -0.000 -1.147) 6.018 21.516 ( -1.048 -0.000 3.857) 3.997 23.394 ( 0.860 0.000 2.323) 2.478 24.568 ( -18.787 -0.000 9.641) 21.116 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 10.256 -15.348 17.834) 25.667 1.652 ( 23.649 -6.727 8.199) 25.918 2.106 ( 2.866 -2.002 -5.045) 6.138 2.434 ( 5.229 -13.533 -10.491) 17.904 3.010 ( -9.415 1.898 -2.017) 9.814 3.135 ( 8.563 -2.144 9.890) 13.256 3.265 ( 1.837 -2.928 1.375) 3.720 3.403 ( -0.000 -1.455 3.676) 3.953 3.456 ( 8.016 1.075 6.880) 10.618 3.715 ( -2.496 3.657 -1.612) 4.712 3.866 ( 3.029 -1.375 -2.799) 4.348 3.990 ( -1.285 -2.552 -5.853) 6.513 4.103 ( 5.718 -4.095 -10.940) 13.006 4.175 ( -3.664 7.856 -2.171) 8.936 4.485 ( -4.579 -4.147 -1.116) 6.278 4.577 ( -1.301 -0.491 5.971) 6.131 4.779 ( -3.602 5.847 5.595) 8.858 4.824 ( -5.426 1.688 0.750) 5.732 5.062 ( -2.575 -0.304 0.029) 2.593 5.153 ( 6.080 -4.411 -3.095) 8.124 5.553 ( 5.190 -5.179 -3.247) 8.019 5.748 ( -1.872 -3.484 0.683) 4.014 5.842 ( -0.252 -5.394 -0.804) 5.459 6.123 ( 6.569 -0.841 0.316) 6.630 6.313 ( -7.661 3.731 -5.853) 10.338 6.575 ( 0.849 7.523 -0.441) 7.584 6.978 ( -12.306 -4.740 13.253) 18.696 6.989 ( 1.875 -8.358 5.783) 10.335 7.297 ( -5.479 -11.314 -4.029) 13.201 7.462 ( -4.629 0.177 0.461) 4.655 7.805 ( 6.739 -6.581 3.661) 10.106 8.549 ( -2.578 6.724 4.406) 8.442 9.003 ( 1.056 -4.786 -1.989) 5.289 9.397 ( -2.969 -4.662 -8.396) 10.052 9.574 ( 4.976 -3.024 -1.493) 6.011 9.992 ( 7.963 8.173 4.213) 12.164 10.180 ( 0.465 -5.969 -0.626) 6.019 10.544 ( -6.452 -0.525 -7.078) 9.592 10.602 ( -1.786 -8.281 -1.413) 8.589 10.697 ( 5.464 -11.841 1.134) 13.090 10.813 ( 4.700 -15.124 -5.110) 16.642 11.149 ( -0.765 -12.466 0.831) 12.517 12.159 ( 2.745 -6.242 -4.240) 8.029 12.377 ( -2.813 -0.439 -5.058) 5.805 12.561 ( -1.081 -4.976 3.365) 6.103 13.268 ( 6.509 7.210 1.782) 9.875 13.916 ( 6.121 6.628 -0.456) 9.034 14.752 ( 5.964 -7.241 0.868) 9.421 14.904 ( -5.101 11.686 8.148) 15.132 15.154 ( -10.836 9.129 -6.776) 15.706 15.455 ( -18.614 -5.433 0.596) 19.400 15.984 ( 3.178 10.663 1.727) 11.259 17.038 ( -0.715 -14.926 -1.930) 15.067 17.137 ( 2.907 -6.849 1.796) 7.654 17.544 ( 21.201 3.938 -4.504) 22.029 18.756 ( 23.311 -6.161 -25.964) 35.433 20.825 ( -8.181 4.389 -1.335) 9.380 21.475 ( 1.896 6.427 5.453) 8.639 23.407 ( 1.337 0.151 2.509) 2.847 24.341 ( -17.174 10.278 13.040) 23.888 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 8.483 -10.788 13.103) 18.974 2.000 ( 22.321 -10.487 2.764) 24.816 2.261 ( 4.541 -13.974 -11.173) 18.459 2.715 ( 9.069 -13.175 -7.072) 17.488 2.898 ( -10.142 -0.874 -6.871) 12.282 3.150 ( -7.058 0.481 3.374) 7.838 3.226 ( 1.229 6.408 -2.371) 6.943 3.336 ( -0.668 5.630 1.112) 5.778 3.629 ( -3.148 3.379 1.079) 4.742 3.789 ( 10.678 -9.993 11.174) 18.405 3.870 ( -2.294 2.768 5.451) 6.530 3.953 ( -0.353 1.844 0.947) 2.103 4.047 ( 3.008 1.702 4.618) 5.768 4.254 ( 5.960 -8.798 -7.795) 13.178 4.438 ( -2.918 6.384 3.946) 8.052 4.600 ( -0.288 -1.253 -0.312) 1.323 4.720 ( 1.827 -3.080 -8.322) 9.060 4.815 ( -0.192 -4.418 -1.673) 4.728 5.068 ( -1.262 -1.279 1.991) 2.682 5.279 ( 6.029 -4.303 -4.287) 8.558 5.627 ( 3.429 1.418 4.390) 5.748 5.787 ( -2.177 3.132 2.111) 4.360 5.970 ( 1.992 -11.523 0.796) 11.721 6.117 ( -8.360 2.797 -2.158) 9.076 6.296 ( 7.831 -4.803 -6.470) 11.236 6.476 ( -0.501 2.042 -0.709) 2.219 6.997 ( -9.914 -5.843 15.455) 19.269 7.221 ( 2.836 -12.393 -1.492) 12.801 7.369 ( -6.405 -0.402 1.116) 6.514 7.536 ( -5.611 -15.074 -5.489) 16.995 7.993 ( 5.646 -7.861 -0.635) 9.700 8.429 ( -4.758 3.609 7.758) 9.791 9.061 ( -1.681 -0.946 8.499) 8.715 9.377 ( -6.799 -0.963 -8.991) 11.313 9.742 ( 8.941 -9.265 -3.250) 13.279 9.944 ( 11.913 5.819 -0.736) 13.279 10.251 ( -0.983 -2.295 -0.033) 2.497 10.483 ( -5.867 -0.881 -7.540) 9.595 10.739 ( 0.870 -7.175 -1.639) 7.411 10.973 ( -1.305 -16.426 0.662) 16.491 11.162 ( -2.438 -24.981 -0.430) 25.103 11.317 ( -8.371 -5.761 0.685) 10.185 12.305 ( -0.539 -9.685 -3.382) 10.273 12.455 ( 2.743 -9.844 -3.072) 10.671 12.680 ( -0.654 -8.352 3.802) 9.200 13.171 ( 8.984 9.861 -0.456) 13.347 13.797 ( 4.339 11.015 -0.108) 11.839 14.604 ( -8.030 15.648 7.614) 19.165 14.812 ( -10.338 12.696 -4.668) 17.025 14.988 ( 6.289 -8.378 -1.748) 10.621 15.531 ( -11.091 -11.011 1.763) 15.728 15.822 ( 2.045 8.097 1.267) 8.447 17.236 ( 10.675 -4.008 -0.850) 11.434 17.357 ( 6.311 -3.587 4.741) 8.670 17.647 ( 13.766 -8.964 -6.169) 17.548 18.905 ( 5.807 -3.994 -25.662) 26.612 20.665 ( -6.800 6.064 -1.163) 9.185 21.342 ( 2.613 11.864 4.356) 12.906 23.421 ( 1.491 0.164 2.963) 3.321 24.052 ( -12.588 11.344 12.122) 20.835 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 7.630 -9.055 0.988) 11.882 2.365 ( 18.600 -11.487 -0.520) 21.867 2.517 ( 0.174 -12.086 -5.653) 13.343 2.868 ( -3.968 -3.957 -8.207) 9.938 2.969 ( 7.140 -6.657 -3.995) 10.548 3.051 ( -5.333 3.820 -2.359) 6.971 3.105 ( 1.613 6.786 1.179) 7.075 3.244 ( -6.190 0.655 2.200) 6.602 3.533 ( -2.115 5.651 0.747) 6.080 3.729 ( -3.764 4.938 1.910) 6.496 3.801 ( -0.630 9.025 6.946) 11.406 3.927 ( -2.093 -0.985 -2.389) 3.325 4.169 ( 3.177 9.268 5.070) 11.032 4.379 ( 1.650 -3.081 2.385) 4.231 4.491 ( 10.016 -12.811 13.596) 21.196 4.648 ( 0.205 -7.404 -6.146) 9.625 4.886 ( 7.056 -11.082 -8.067) 15.417 4.930 ( -0.747 -8.731 -3.117) 9.301 5.095 ( 1.218 -2.119 1.798) 3.034 5.338 ( 1.454 1.617 -2.030) 2.975 5.606 ( 3.309 5.656 8.164) 10.469 5.683 ( -2.590 3.802 2.499) 5.235 5.980 ( -10.584 2.794 -5.219) 12.127 6.094 ( 0.981 1.500 0.006) 1.793 6.419 ( 6.204 -5.225 -4.832) 9.441 6.567 ( 5.357 -7.095 -1.222) 8.973 7.084 ( -2.363 -5.680 12.580) 14.003 7.295 ( -7.881 0.488 -0.377) 7.905 7.471 ( 4.354 -11.974 -2.222) 12.933 7.714 ( -6.711 -9.416 -4.631) 12.455 8.158 ( -3.104 -10.998 -3.186) 11.864 8.425 ( 0.197 -3.068 10.201) 10.654 9.074 ( 0.616 0.780 14.384) 14.418 9.311 ( -9.801 -1.589 -8.220) 12.889 9.951 ( 3.869 -5.082 -0.612) 6.417 10.000 ( 19.460 -0.968 -6.202) 20.447 10.216 ( -7.947 1.958 -2.582) 8.582 10.489 ( 1.519 -4.248 -7.460) 8.718 10.859 ( 2.892 -6.156 -5.190) 8.555 11.212 ( -11.948 5.349 -0.505) 13.101 11.271 ( -6.896 -20.235 0.006) 21.378 11.605 ( 1.433 -22.931 5.328) 23.586 12.417 ( -2.894 -2.401 2.825) 4.703 12.716 ( 2.977 -17.699 -2.790) 18.163 12.836 ( 0.616 -6.682 3.202) 7.435 13.132 ( 6.619 -1.248 -1.844) 6.984 13.619 ( 1.891 11.424 0.068) 11.580 14.286 ( -11.067 13.131 2.776) 17.396 14.497 ( -2.286 15.584 -0.945) 15.779 15.066 ( 2.395 7.742 0.159) 8.106 15.604 ( -7.175 -9.632 -0.163) 12.012 15.854 ( -3.153 -10.287 1.609) 10.879 17.260 ( 14.389 16.294 -2.226) 21.851 17.394 ( 17.379 3.085 1.751) 17.738 18.070 ( 6.056 -25.094 -0.863) 25.829 18.896 ( -8.475 -3.464 -19.068) 21.152 20.516 ( -3.142 5.652 -1.770) 6.704 21.134 ( 2.054 13.964 1.452) 14.189 23.439 ( 1.350 -0.132 3.691) 3.932 23.816 ( -8.622 8.468 9.176) 15.173 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 4.462 -6.509 -4.319) 8.996 2.612 ( -2.285 -5.174 -3.609) 6.709 2.681 ( 11.264 -2.186 -3.477) 11.989 2.792 ( -0.476 5.716 -2.615) 6.303 2.889 ( -2.195 4.537 1.636) 5.299 3.084 ( -0.054 1.290 -1.041) 1.658 3.138 ( -0.757 -10.100 -0.225) 10.130 3.261 ( -1.839 -5.603 -0.655) 5.933 3.426 ( -0.792 3.218 -1.071) 3.483 3.647 ( 3.601 11.067 5.811) 13.008 3.657 ( 0.213 2.766 -0.704) 2.863 3.928 ( -3.411 -2.286 -1.897) 4.523 4.037 ( 4.160 5.995 2.862) 7.838 4.378 ( 1.751 3.788 -0.639) 4.222 4.678 ( -6.513 -5.903 -0.496) 8.804 4.899 ( 4.047 -10.321 11.589) 16.037 5.011 ( -2.230 -3.795 -1.714) 4.724 5.126 ( 4.587 -7.421 3.828) 9.527 5.213 ( 5.196 -4.518 -1.616) 7.073 5.261 ( -2.913 -1.216 -1.406) 3.455 5.516 ( 2.673 7.631 6.201) 10.190 5.678 ( 2.848 -1.240 -0.001) 3.106 5.816 ( -11.181 4.183 -4.071) 12.613 6.023 ( -0.637 4.591 -4.534) 6.484 6.532 ( 7.779 -1.252 -5.254) 9.470 6.672 ( 1.876 -1.364 0.401) 2.353 7.189 ( 3.436 1.474 2.667) 4.593 7.252 ( -9.162 -8.022 6.991) 14.042 7.644 ( 4.332 0.793 -2.243) 4.942 7.773 ( -3.124 -8.140 -2.855) 9.174 8.309 ( -8.171 -10.209 1.005) 13.115 8.540 ( 3.557 -4.485 6.135) 8.391 9.137 ( 3.824 -1.466 15.519) 16.051 9.252 ( -9.347 -3.131 -7.472) 12.370 9.970 ( -9.120 2.057 0.333) 9.355 10.126 ( 6.605 1.873 -3.143) 7.551 10.172 ( 15.697 -1.666 -8.527) 17.941 10.579 ( 1.504 -4.652 -8.330) 9.658 10.950 ( -5.630 2.711 -7.953) 10.114 11.040 ( 1.185 -2.261 0.835) 2.686 11.550 ( -9.504 -18.801 0.624) 21.076 11.963 ( 1.731 -12.711 6.805) 14.522 12.347 ( -0.202 8.189 2.908) 8.693 12.879 ( 4.482 2.321 0.574) 5.080 13.105 ( 3.660 -18.525 1.757) 18.964 13.329 ( -2.724 -18.364 -0.440) 18.570 13.456 ( -0.402 6.606 -0.773) 6.663 13.992 ( -9.042 10.368 0.429) 13.764 14.248 ( 2.909 12.489 2.318) 13.031 14.813 ( -1.232 17.061 -1.191) 17.147 15.799 ( -3.577 -15.349 1.265) 15.811 16.028 ( -7.506 -12.590 -0.027) 14.657 17.024 ( 10.506 20.160 -0.730) 22.745 17.398 ( 15.231 13.020 -3.857) 20.406 18.509 ( 4.721 -17.283 0.940) 17.941 18.877 ( -8.925 -8.284 -10.003) 15.759 20.413 ( 0.471 4.437 -2.348) 5.042 20.927 ( 0.556 9.393 -2.427) 9.717 23.460 ( 0.390 0.015 4.562) 4.578 23.667 ( -5.169 3.826 6.921) 9.448 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -2.903 14.014 2.605) 14.546 2.494 ( -3.786 10.216 1.556) 11.005 2.672 ( 0.150 -1.108 -4.403) 4.543 2.772 ( 1.864 -0.911 -2.073) 2.933 3.008 ( 10.364 -5.770 1.111) 11.914 3.019 ( -3.726 1.015 -6.550) 7.604 3.300 ( -0.720 -6.644 3.907) 7.741 3.335 ( -0.193 -3.592 -0.802) 3.685 3.460 ( -0.405 -6.447 -3.419) 7.309 3.482 ( 4.714 11.004 1.334) 12.045 3.657 ( 1.305 -3.915 -0.774) 4.199 3.936 ( -1.478 0.163 0.468) 1.559 4.061 ( 6.642 -2.396 -1.906) 7.313 4.304 ( -2.350 2.329 -2.638) 4.232 4.685 ( -7.605 -0.506 5.448) 9.369 4.823 ( -2.291 13.909 6.006) 15.323 5.094 ( -2.316 -1.741 4.392) 5.262 5.189 ( -0.884 1.775 0.659) 2.089 5.246 ( -1.909 6.011 0.163) 6.308 5.358 ( 1.305 -10.924 5.934) 12.500 5.557 ( 4.185 -5.945 -2.205) 7.597 5.619 ( -7.904 4.014 -0.563) 8.882 5.774 ( 3.580 -2.207 -4.443) 6.118 5.939 ( 0.623 1.054 -5.892) 6.018 6.532 ( 6.100 6.247 -4.088) 9.641 6.684 ( -1.093 0.329 -0.772) 1.378 7.155 ( -4.887 -1.176 2.230) 5.499 7.395 ( 1.797 -5.946 5.543) 8.325 7.561 ( -3.818 5.189 1.644) 6.648 7.901 ( 7.026 -2.702 -1.534) 7.682 8.356 ( -5.917 -0.500 2.460) 6.427 8.633 ( 3.643 -1.178 5.299) 6.538 9.158 ( -8.359 0.283 10.486) 13.413 9.285 ( 3.059 -2.718 -4.415) 6.019 9.826 ( -8.422 2.903 -3.592) 9.605 10.167 ( 4.164 -0.555 -0.715) 4.261 10.294 ( 18.081 2.011 -3.838) 18.593 10.562 ( -4.072 3.986 -15.014) 16.059 10.788 ( -3.156 3.872 3.151) 5.906 11.230 ( 6.626 -11.225 -7.637) 15.107 11.800 ( -8.249 -17.654 1.726) 19.562 12.040 ( 1.084 6.537 5.854) 8.841 12.180 ( -1.818 10.958 2.322) 11.347 12.821 ( 0.070 6.362 1.674) 6.578 13.274 ( 1.081 3.500 5.772) 6.836 13.401 ( -3.571 -1.402 -3.070) 4.913 13.636 ( 3.188 -6.376 -1.084) 7.210 13.912 ( 0.644 -12.132 1.759) 12.276 14.136 ( 3.176 2.854 0.816) 4.347 14.580 ( -2.759 3.209 0.027) 4.232 16.054 ( -0.739 -14.503 2.681) 14.767 16.135 ( -3.621 -3.383 -3.019) 5.803 16.757 ( -0.056 12.955 -0.321) 12.959 17.156 ( 0.659 18.892 -5.392) 19.657 18.663 ( -0.600 1.783 1.795) 2.600 19.033 ( 7.489 -9.197 -6.991) 13.768 20.363 ( 2.423 1.350 -1.742) 3.275 20.846 ( -1.912 -2.509 -5.578) 6.409 23.447 ( -2.036 1.782 4.504) 5.254 23.650 ( -1.234 -2.934 6.992) 7.683 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -5.831 19.792 7.690) 22.020 2.225 ( -2.892 17.294 9.027) 19.721 2.674 ( 1.823 2.464 -4.090) 5.111 2.830 ( 2.144 -1.527 -4.861) 5.528 2.965 ( -0.988 -0.611 -7.182) 7.275 3.132 ( 5.548 -0.594 -1.106) 5.688 3.327 ( 1.452 3.389 -4.877) 6.113 3.395 ( 1.074 -4.007 -2.683) 4.940 3.470 ( 1.078 -6.853 1.091) 7.022 3.559 ( -0.691 -5.986 2.450) 6.504 3.801 ( -0.428 -8.686 1.614) 8.845 3.892 ( 1.129 5.533 5.814) 8.105 4.122 ( 0.696 0.155 -1.953) 2.079 4.305 ( -1.601 -3.816 -1.510) 4.405 4.470 ( -4.965 15.814 7.118) 18.039 4.696 ( -2.493 -0.529 1.689) 3.057 4.956 ( 1.357 12.230 -0.187) 12.306 5.144 ( -4.798 0.821 2.422) 5.437 5.148 ( -0.816 7.250 -5.440) 9.101 5.448 ( -5.227 4.968 -2.941) 7.788 5.553 ( 0.669 -4.197 -2.572) 4.967 5.637 ( -6.753 -6.299 7.727) 12.041 5.856 ( 6.620 -3.574 -2.753) 8.011 6.017 ( 3.670 -6.901 -4.160) 8.854 6.419 ( 2.206 8.643 -4.313) 9.908 6.614 ( -1.386 6.220 -2.541) 6.861 7.180 ( -5.937 -4.849 5.638) 9.516 7.416 ( -1.833 5.191 3.714) 6.641 7.517 ( 1.638 -1.124 2.793) 3.427 7.956 ( 8.790 3.672 0.689) 9.551 8.235 ( -3.913 10.139 2.157) 11.080 8.663 ( 2.854 2.247 5.518) 6.606 9.086 ( -8.601 2.323 11.682) 14.692 9.318 ( 1.359 -1.610 -7.075) 7.382 9.728 ( -1.465 4.119 -4.114) 6.003 10.189 ( 4.095 2.531 -2.628) 5.485 10.285 ( -4.836 5.373 -5.377) 9.009 10.471 ( 13.108 1.960 -7.589) 15.273 10.762 ( -0.805 -0.386 0.282) 0.936 11.461 ( 6.357 -10.329 -7.862) 14.454 11.810 ( 5.175 20.279 1.514) 20.984 11.895 ( -4.259 13.789 3.987) 14.972 12.117 ( -10.119 -19.332 3.435) 22.089 12.657 ( -1.763 12.244 4.101) 13.032 13.129 ( 0.527 12.121 4.583) 12.969 13.348 ( -0.972 8.123 -1.816) 8.380 13.601 ( 3.055 4.566 -6.849) 8.780 14.177 ( -5.084 -13.039 1.045) 14.034 14.314 ( 13.854 -14.327 4.749) 20.487 14.717 ( -4.142 -18.184 2.277) 18.788 16.010 ( 4.145 16.226 -4.389) 17.313 16.256 ( 6.746 -0.992 2.514) 7.267 16.657 ( -11.259 -7.650 -2.128) 13.777 16.830 ( -13.657 6.013 -2.685) 15.162 18.483 ( -0.535 17.906 1.518) 17.978 19.162 ( 14.849 3.837 -11.680) 19.278 20.424 ( 3.319 -6.114 -0.328) 6.965 20.947 ( -4.587 -12.398 -5.470) 14.306 23.409 ( -2.236 1.312 3.710) 4.526 23.761 ( -0.320 -8.021 9.073) 12.114 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -3.211 20.227 11.869) 23.671 1.923 ( -1.578 17.773 15.701) 23.768 2.577 ( 3.499 8.876 -10.325) 14.058 2.732 ( -2.700 8.358 -8.623) 12.308 3.046 ( 3.093 -7.109 -6.573) 10.164 3.171 ( 2.704 1.627 2.844) 4.248 3.258 ( 1.619 4.050 -6.605) 7.915 3.467 ( -2.062 -4.647 -3.952) 6.439 3.588 ( -1.849 -4.166 -0.300) 4.567 3.698 ( -0.228 1.178 10.396) 10.465 3.713 ( 2.335 8.928 11.730) 14.925 3.894 ( -1.571 -5.325 2.262) 5.995 4.090 ( -2.205 1.743 0.274) 2.824 4.239 ( -3.488 -0.211 8.789) 9.458 4.461 ( -2.380 -8.556 -6.080) 10.762 4.712 ( 0.437 2.362 -4.870) 5.430 4.770 ( 2.136 9.142 -4.523) 10.421 4.951 ( 1.316 7.133 -8.909) 11.488 5.100 ( -1.510 2.045 1.813) 3.122 5.299 ( -2.315 6.236 -4.283) 7.911 5.593 ( -3.711 -2.047 0.775) 4.309 5.744 ( -3.989 -6.926 10.127) 12.901 5.942 ( 3.829 -1.366 -1.299) 4.268 6.158 ( 3.551 -5.529 -3.112) 7.271 6.260 ( 0.810 8.920 -6.960) 11.343 6.465 ( -0.192 7.133 -3.481) 7.939 7.217 ( -6.337 -1.502 8.124) 10.412 7.305 ( -2.119 6.682 7.604) 10.342 7.534 ( 2.256 1.090 -1.118) 2.743 7.905 ( 6.830 9.779 1.194) 11.987 7.983 ( -1.550 15.042 3.363) 15.491 8.627 ( -2.531 2.961 6.213) 7.333 9.035 ( -2.668 0.461 9.717) 10.088 9.352 ( -0.553 -3.160 -6.549) 7.293 9.616 ( 2.747 7.400 -3.836) 8.777 10.056 ( -4.021 6.284 -12.319) 14.402 10.237 ( 1.562 -0.087 -3.225) 3.584 10.545 ( 10.846 1.567 0.986) 11.003 10.764 ( -1.436 -0.919 -2.592) 3.103 11.414 ( -0.627 24.078 0.246) 24.088 11.604 ( 3.340 0.143 -6.261) 7.098 11.633 ( 0.375 15.010 2.722) 15.259 12.354 ( 0.467 0.855 8.818) 8.872 12.481 ( -5.707 -6.842 0.901) 8.955 12.934 ( -1.884 10.988 5.101) 12.260 13.031 ( 4.041 23.257 -11.901) 26.436 13.627 ( -1.795 -6.374 -3.754) 7.612 14.407 ( -4.334 -16.550 3.905) 17.548 14.676 ( 11.477 -12.517 6.682) 18.249 14.986 ( -2.959 -10.790 0.431) 11.196 15.747 ( 2.888 11.069 -2.435) 11.695 16.113 ( 2.964 17.315 1.281) 17.614 16.742 ( -13.275 -12.368 -3.789) 18.535 16.876 ( -4.056 -15.201 0.175) 15.734 18.072 ( -1.196 26.434 -2.451) 26.574 19.067 ( 16.101 17.339 -15.537) 28.307 20.601 ( 3.480 -9.764 0.345) 10.372 21.147 ( -6.296 -15.463 -3.289) 17.016 23.386 ( -1.543 0.469 3.093) 3.488 23.968 ( -1.380 -13.618 11.559) 17.916 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 5.716 16.722 14.851) 23.083 1.650 ( 0.378 17.713 20.861) 27.369 2.354 ( -2.590 13.659 -8.868) 16.490 2.567 ( 3.071 6.403 -13.569) 15.315 2.958 ( 4.388 21.751 15.565) 27.104 3.195 ( 1.711 0.735 -3.747) 4.184 3.229 ( -0.522 -6.539 -5.156) 8.344 3.450 ( -5.508 1.380 3.047) 6.444 3.512 ( -3.082 2.452 2.308) 4.565 3.660 ( 3.057 -3.657 -4.636) 6.650 3.869 ( -2.057 -5.068 4.095) 6.833 4.015 ( 1.477 -5.179 -0.910) 5.461 4.039 ( -3.345 -1.619 5.392) 6.548 4.330 ( 2.930 -5.423 9.412) 11.251 4.396 ( -4.743 9.550 -18.414) 21.279 4.609 ( 0.089 2.731 0.039) 2.732 4.731 ( 1.021 -5.126 -3.030) 6.041 4.962 ( -4.487 -2.765 -2.900) 6.016 5.059 ( 5.136 1.973 -2.304) 5.965 5.183 ( 0.300 5.034 -2.069) 5.451 5.576 ( -2.501 0.925 -1.133) 2.898 5.828 ( -3.411 -2.692 7.173) 8.386 5.949 ( 1.914 2.791 -0.771) 3.471 6.071 ( 1.955 10.622 -6.321) 12.514 6.256 ( 3.900 -3.760 1.911) 5.745 6.431 ( 1.907 -3.647 -7.121) 8.225 7.095 ( 1.520 13.074 4.551) 13.927 7.219 ( -11.260 1.291 15.151) 18.921 7.527 ( 1.044 0.672 -0.800) 1.477 7.683 ( -1.171 15.191 -2.862) 15.503 7.797 ( 3.121 9.698 7.577) 12.697 8.576 ( -6.065 -0.066 6.570) 8.941 9.045 ( 2.944 1.970 2.229) 4.185 9.364 ( 2.073 -0.066 -5.526) 5.903 9.552 ( 2.709 1.297 -3.623) 4.706 9.921 ( -3.905 2.017 -10.053) 10.972 10.240 ( 1.372 0.694 -3.370) 3.705 10.579 ( 6.699 2.865 2.729) 7.780 10.748 ( -2.947 0.251 -4.621) 5.486 11.007 ( -2.338 19.849 -0.998) 20.011 11.348 ( 5.065 27.743 -4.460) 28.552 11.382 ( -5.030 16.660 -0.680) 17.416 12.272 ( 4.261 7.628 -0.004) 8.737 12.552 ( -5.887 9.949 -4.418) 12.376 12.643 ( 2.961 6.092 0.807) 6.822 12.931 ( 2.616 -8.319 1.504) 8.850 13.732 ( -1.014 -6.997 -1.259) 7.181 14.687 ( -4.211 -16.261 5.865) 17.792 14.843 ( 1.252 4.348 1.416) 4.741 15.094 ( 3.731 -8.972 0.593) 9.735 15.740 ( 1.206 -4.893 3.879) 6.360 15.870 ( -3.601 7.238 2.145) 8.364 16.866 ( -1.992 -9.661 -5.127) 11.117 17.107 ( 2.751 -8.253 1.263) 8.791 17.587 ( -1.284 23.972 -8.362) 25.421 18.764 ( 16.677 26.441 -14.995) 34.671 20.789 ( 1.931 -8.464 0.373) 8.690 21.346 ( -6.540 -12.927 -1.295) 14.545 23.380 ( -0.727 0.043 2.652) 2.750 24.262 ( -5.023 -18.808 12.107) 22.925 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 13.154 0.000 17.539) 21.923 1.808 ( 24.613 0.000 5.260) 25.169 2.172 ( 5.748 0.000 3.707) 6.840 2.281 ( 7.311 0.000 -14.984) 16.673 2.961 ( -11.587 -0.000 -2.611) 11.878 3.068 ( -12.266 -0.000 6.132) 13.713 3.346 ( 4.417 0.000 -1.117) 4.556 3.438 ( 16.606 0.000 9.731) 19.247 3.588 ( 15.198 0.000 8.210) 17.274 3.757 ( -4.278 -0.000 1.106) 4.419 3.812 ( 5.210 0.000 -10.911) 12.092 3.965 ( 1.450 0.000 -1.961) 2.438 4.095 ( 7.728 0.000 -11.210) 13.615 4.286 ( -0.197 -0.000 -2.262) 2.270 4.294 ( -13.175 -0.000 -1.973) 13.322 4.554 ( -5.353 -0.000 5.076) 7.377 4.784 ( -9.925 -0.000 3.985) 10.695 4.859 ( 2.565 0.000 8.209) 8.600 5.045 ( -0.080 -0.000 -0.670) 0.674 5.150 ( 5.601 0.000 -3.075) 6.390 5.515 ( 4.843 0.000 -2.943) 5.667 5.744 ( -3.260 -0.000 2.189) 3.927 5.765 ( 4.586 0.000 -2.740) 5.342 6.154 ( -1.896 -0.000 0.784) 2.052 6.270 ( -4.688 -0.000 -6.966) 8.397 6.635 ( -6.020 -0.000 1.801) 6.283 6.828 ( -18.965 -0.000 17.345) 25.700 6.952 ( 6.386 0.000 -0.136) 6.387 7.151 ( -3.592 -0.000 -5.163) 6.290 7.444 ( -2.080 -0.000 0.284) 2.099 7.802 ( 7.544 0.000 1.809) 7.758 8.633 ( -1.082 -0.000 0.327) 1.130 8.949 ( 0.475 0.000 -1.062) 1.164 9.300 ( -0.104 -0.000 -7.353) 7.354 9.565 ( -0.357 -0.000 4.395) 4.409 10.104 ( 4.164 0.000 -2.971) 5.116 10.143 ( 0.397 0.000 9.243) 9.252 10.472 ( -7.300 -0.000 -8.645) 11.315 10.485 ( -1.690 -0.000 -0.855) 1.894 10.690 ( 6.376 0.000 1.374) 6.522 10.784 ( 16.744 0.000 -0.979) 16.773 10.985 ( -5.775 -0.000 -0.786) 5.828 12.122 ( 2.661 0.000 -4.627) 5.338 12.344 ( 0.252 0.000 -7.836) 7.840 12.521 ( 0.366 0.000 3.261) 3.282 13.378 ( 4.685 0.000 2.377) 5.254 14.030 ( 6.568 0.000 -0.472) 6.585 14.740 ( 7.540 0.000 0.343) 7.547 15.003 ( -4.073 -0.000 9.100) 9.970 15.172 ( -27.432 -0.000 -10.007) 29.200 15.197 ( -3.400 -0.000 -0.110) 3.402 16.138 ( 3.974 0.000 0.563) 4.014 16.855 ( -1.913 -0.000 -2.144) 2.874 17.051 ( -1.807 -0.000 1.842) 2.580 17.756 ( 21.099 0.000 -1.377) 21.143 18.869 ( 26.723 0.000 -29.242) 39.613 20.787 ( -9.882 -0.000 -1.248) 9.960 21.566 ( 2.980 0.000 6.039) 6.734 23.427 ( 1.892 0.000 2.649) 3.255 24.313 ( -19.336 -0.000 13.543) 23.607 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.292 -12.789 14.941) 23.192 2.046 ( 20.654 -4.555 4.885) 21.707 2.177 ( 10.297 0.360 -11.040) 15.101 2.508 ( 8.054 -15.140 -4.766) 17.799 2.813 ( -11.561 2.634 -2.858) 12.196 3.046 ( -11.620 -4.307 5.251) 13.459 3.330 ( 1.275 2.927 -1.236) 3.423 3.462 ( 3.554 7.253 0.420) 8.088 3.657 ( -2.531 3.042 0.218) 3.963 3.824 ( 16.998 -1.958 6.318) 18.240 3.886 ( 0.726 -1.914 -3.389) 3.959 3.960 ( -2.335 1.941 3.251) 4.448 4.117 ( 5.780 1.066 5.875) 8.311 4.195 ( 9.859 -3.588 -8.588) 13.558 4.383 ( -6.687 -6.832 -2.918) 9.995 4.537 ( -5.503 -2.111 2.355) 6.347 4.692 ( -3.346 1.470 -4.642) 5.909 4.858 ( 2.811 4.516 8.094) 9.686 5.065 ( 3.455 -0.610 -0.550) 3.551 5.234 ( 5.829 -4.529 -4.246) 8.516 5.644 ( 5.719 -6.633 2.057) 8.997 5.731 ( -1.186 -4.384 1.516) 4.788 5.845 ( 1.080 -3.048 -0.215) 3.241 6.072 ( -12.038 1.703 -2.327) 12.378 6.257 ( 2.779 -2.212 -2.855) 4.557 6.525 ( -7.656 5.092 2.207) 9.456 6.793 ( -16.771 -7.737 16.435) 24.723 7.065 ( 4.371 -7.243 -2.715) 8.885 7.196 ( -4.605 -9.682 -5.168) 11.902 7.418 ( 0.626 2.004 -2.305) 3.118 7.926 ( 7.567 -5.874 -1.217) 9.656 8.518 ( -3.429 7.930 2.088) 8.888 9.009 ( -1.511 -4.906 3.795) 6.383 9.307 ( -2.207 -0.388 -6.735) 7.098 9.634 ( 2.652 -6.873 4.410) 8.586 10.106 ( -0.715 4.057 7.030) 8.148 10.207 ( 4.880 -5.725 -1.904) 7.760 10.404 ( -5.127 -0.453 -7.400) 9.014 10.570 ( -1.092 -9.427 -1.722) 9.645 10.788 ( -2.394 -3.254 -1.555) 4.329 10.845 ( 7.474 -8.882 1.665) 11.727 11.119 ( -4.408 -10.395 1.658) 11.412 12.167 ( 1.183 -4.658 -4.688) 6.714 12.377 ( 6.463 -2.885 -6.899) 9.884 12.575 ( 1.125 -4.433 3.502) 5.760 13.369 ( 4.994 5.410 1.673) 7.550 14.009 ( 5.195 7.518 -0.151) 9.139 14.772 ( -16.279 11.910 1.653) 20.238 14.875 ( 4.651 -3.627 1.725) 6.145 14.948 ( -1.184 5.269 -6.088) 8.138 15.276 ( -7.569 -9.198 1.600) 12.019 16.038 ( 2.630 11.778 0.905) 12.101 17.011 ( -1.344 -17.069 -2.072) 17.247 17.172 ( 0.556 -12.970 2.522) 13.225 17.854 ( 18.549 6.210 -1.463) 19.616 18.958 ( 17.874 3.918 -28.957) 34.254 20.679 ( -8.873 2.919 -0.787) 9.374 21.542 ( 2.702 6.836 5.014) 8.898 23.447 ( 2.141 0.314 3.079) 3.763 24.130 ( -16.360 6.810 12.635) 21.764 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 8.928 -6.283 8.798) 14.021 2.305 ( 6.645 -10.639 -9.819) 15.929 2.329 ( 16.743 -8.717 -1.437) 18.931 2.730 ( -5.484 -3.338 -6.013) 8.796 2.836 ( 7.675 -13.993 -1.635) 16.043 3.025 ( -8.208 -1.394 2.517) 8.697 3.256 ( 1.725 6.299 -0.315) 6.539 3.310 ( -2.869 10.129 0.893) 10.565 3.591 ( -1.867 2.723 1.706) 3.717 3.770 ( -5.785 4.329 2.104) 7.525 3.906 ( -0.023 1.734 7.210) 7.415 3.928 ( -0.308 2.167 -8.061) 8.353 4.282 ( 6.507 -2.178 1.416) 7.007 4.351 ( 2.769 -0.251 3.428) 4.414 4.435 ( 9.780 -8.804 12.278) 17.997 4.551 ( -4.535 -3.460 -3.377) 6.629 4.741 ( 8.677 -6.687 -13.200) 17.153 4.837 ( 2.697 -0.349 4.351) 5.131 5.107 ( 5.060 -0.414 0.428) 5.095 5.336 ( 3.291 -2.705 -4.017) 5.855 5.688 ( -2.596 0.309 3.820) 4.628 5.764 ( 0.612 5.568 4.252) 7.033 5.921 ( -13.052 2.581 -3.468) 13.749 6.032 ( 3.901 -12.050 3.326) 13.095 6.373 ( 0.117 -0.792 -0.709) 1.070 6.443 ( 1.080 -9.474 -1.146) 9.604 6.888 ( -12.615 -11.537 13.839) 21.995 7.238 ( 1.200 -10.175 -4.252) 11.093 7.331 ( 1.036 -2.588 -0.956) 2.947 7.419 ( -4.003 -10.501 -7.591) 13.561 8.060 ( 4.395 -2.666 -4.319) 6.714 8.407 ( -2.676 0.952 6.937) 7.496 9.077 ( -4.449 -3.719 8.308) 10.132 9.243 ( -2.149 3.026 -2.398) 4.419 9.842 ( 5.469 -10.912 -2.044) 12.376 10.051 ( -4.383 0.986 2.623) 5.203 10.284 ( 9.493 3.154 -3.615) 10.636 10.405 ( -0.387 -3.914 -4.278) 5.811 10.732 ( 0.557 -8.883 -4.363) 9.912 10.880 ( -7.710 -14.936 -3.514) 17.172 11.154 ( -11.720 -2.031 0.627) 11.911 11.219 ( 5.736 -22.502 6.370) 24.079 12.278 ( -0.723 -8.091 -3.099) 8.694 12.497 ( 3.785 -6.990 -2.336) 8.285 12.707 ( 1.688 -8.109 3.418) 8.961 13.297 ( 6.616 7.496 0.470) 10.009 13.860 ( 3.260 12.671 -0.154) 13.084 14.412 ( -14.449 12.863 -2.128) 19.462 14.743 ( 0.903 12.461 1.039) 12.537 15.083 ( 5.168 -6.538 -0.795) 8.371 15.378 ( -8.716 -9.073 1.469) 12.667 15.856 ( 1.497 8.680 0.961) 8.860 17.335 ( 3.139 -17.600 -0.712) 17.892 17.460 ( 4.409 -11.463 5.088) 13.294 17.878 ( 15.334 1.442 -3.299) 15.751 18.872 ( 5.046 8.705 -25.226) 27.159 20.559 ( -5.685 3.515 -1.002) 6.759 21.396 ( 1.853 12.590 2.942) 13.062 23.464 ( 2.057 0.458 3.697) 4.255 23.906 ( -11.841 8.077 9.949) 17.447 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 7.768 -5.569 -3.991) 10.357 2.451 ( -3.823 -8.155 -3.969) 9.842 2.641 ( 13.472 -10.989 -2.162) 17.520 2.818 ( 2.789 -6.895 -6.983) 10.202 2.956 ( -3.599 6.161 -0.641) 7.164 3.031 ( 0.510 -1.001 -0.954) 1.474 3.135 ( -7.719 0.496 2.878) 8.253 3.186 ( 5.761 2.348 2.603) 6.744 3.511 ( -0.959 5.814 1.638) 6.116 3.709 ( 0.647 2.197 0.117) 2.293 3.798 ( -2.150 4.607 -0.567) 5.116 3.915 ( 1.582 2.081 3.044) 4.012 4.213 ( 0.783 9.261 2.570) 9.643 4.400 ( -0.954 -4.304 3.211) 5.453 4.539 ( -6.383 -1.328 -6.823) 9.437 4.782 ( 12.686 -11.181 13.795) 21.823 4.873 ( -0.480 -7.079 -0.827) 7.143 5.015 ( 8.886 -10.813 -3.524) 14.433 5.175 ( 8.147 -2.299 -3.410) 9.126 5.323 ( -2.472 4.845 2.586) 6.023 5.608 ( -8.113 2.423 -0.673) 8.494 5.712 ( 0.520 2.294 4.071) 4.701 5.793 ( -4.928 3.451 0.716) 6.058 6.079 ( -3.171 3.767 -0.424) 4.942 6.470 ( 2.825 -8.186 -1.651) 8.816 6.673 ( 8.101 -6.212 -2.512) 10.513 7.020 ( -11.864 -10.457 9.903) 18.659 7.272 ( 4.652 3.411 -0.476) 5.788 7.522 ( 2.328 -16.341 -2.778) 16.738 7.601 ( -3.086 -10.716 -6.105) 12.713 8.087 ( -3.574 -3.742 0.691) 5.221 8.474 ( 0.442 -5.929 3.546) 6.923 9.090 ( -11.252 -2.728 4.651) 12.477 9.217 ( 6.413 0.895 6.035) 8.851 9.943 ( -7.694 2.168 1.901) 8.216 10.077 ( 2.968 -7.332 -8.627) 11.705 10.331 ( 16.959 0.892 -3.632) 17.366 10.473 ( 0.142 -4.516 -4.665) 6.495 10.862 ( 1.859 -5.947 -10.147) 11.908 11.025 ( -10.721 -1.069 1.065) 10.827 11.155 ( -7.338 -16.022 0.635) 17.634 11.686 ( 4.236 -22.106 8.087) 23.917 12.370 ( -3.716 -3.066 0.627) 4.858 12.724 ( 1.000 -19.051 -1.876) 19.169 12.873 ( 0.876 -7.779 2.866) 8.337 13.244 ( 6.955 3.865 0.155) 7.958 13.639 ( 0.629 13.469 -0.358) 13.488 14.096 ( -10.509 10.737 -1.988) 15.155 14.525 ( 3.545 14.327 2.693) 15.003 15.054 ( -3.925 10.742 -1.509) 11.536 15.521 ( -2.797 -13.118 1.247) 13.471 15.822 ( -1.656 -4.210 0.907) 4.614 17.455 ( 9.560 16.221 1.916) 18.926 17.623 ( 11.170 -5.648 0.551) 12.529 18.190 ( 8.228 -22.032 -1.029) 23.541 18.674 ( -8.062 3.306 -18.463) 20.416 20.468 ( -1.810 2.923 -2.080) 4.018 21.161 ( 1.044 15.148 0.315) 15.187 23.481 ( 1.572 0.398 4.444) 4.731 23.720 ( -7.940 5.966 7.330) 12.344 ======================= Grid point 231 (110/172) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 4.205 -3.423 -4.451) 7.015 2.551 ( -3.059 -7.037 -4.004) 8.655 2.708 ( -3.036 14.367 0.636) 14.698 2.836 ( 3.206 3.827 -2.330) 5.509 2.909 ( 4.579 -8.422 -3.525) 10.214 3.075 ( -0.854 1.098 2.702) 3.039 3.150 ( 1.961 -8.957 1.637) 9.314 3.255 ( 1.008 -3.947 -1.636) 4.390 3.413 ( -0.159 3.305 -0.447) 3.339 3.637 ( -1.311 2.054 -1.488) 2.855 3.757 ( 5.226 10.503 5.031) 12.764 3.876 ( -1.334 -1.487 -3.527) 4.053 4.127 ( 5.427 2.765 2.135) 6.454 4.368 ( -1.800 6.293 -4.571) 7.983 4.545 ( -9.108 -6.993 4.927) 12.495 4.988 ( -0.230 -6.831 0.979) 6.905 5.026 ( 5.075 0.639 6.834) 8.536 5.188 ( -6.434 2.922 8.345) 10.936 5.212 ( 2.578 -7.025 4.764) 8.870 5.300 ( 5.286 -2.703 -5.482) 8.081 5.537 ( -1.573 -1.635 0.040) 2.269 5.653 ( -4.967 7.839 1.322) 9.374 5.741 ( 4.217 -2.111 -2.732) 5.450 5.973 ( -2.370 4.082 -5.996) 7.631 6.608 ( 3.195 -4.676 -1.628) 5.893 6.713 ( 3.625 5.092 -1.911) 6.536 7.071 ( -9.774 -3.894 1.545) 10.634 7.331 ( 5.725 -4.334 5.678) 9.154 7.613 ( -3.585 1.650 -0.952) 4.060 7.845 ( 9.618 -10.677 -1.535) 14.452 8.190 ( -7.635 -10.743 2.582) 13.430 8.590 ( 0.024 -6.181 1.036) 6.267 9.050 ( -11.081 -2.507 4.927) 12.384 9.311 ( 8.307 -1.527 5.577) 10.121 9.811 ( -8.136 3.569 -2.052) 9.119 10.179 ( 5.515 -2.167 -5.005) 7.757 10.475 ( 18.592 -0.617 -5.228) 19.323 10.507 ( -3.990 -0.784 -7.122) 8.201 10.829 ( -5.567 3.489 -1.422) 6.722 11.075 ( 2.908 -8.629 -6.037) 10.925 11.397 ( -8.906 -18.050 -0.022) 20.127 12.032 ( 2.327 -10.156 8.584) 13.500 12.329 ( -3.103 4.493 2.355) 5.946 12.920 ( 0.813 1.424 1.189) 2.025 13.197 ( 5.469 -25.243 -1.613) 25.879 13.301 ( -1.058 -7.906 2.616) 8.394 13.425 ( -2.069 8.257 -1.695) 8.680 13.886 ( -4.234 5.337 0.333) 6.821 14.329 ( 5.185 11.893 3.683) 13.487 14.748 ( -5.578 16.209 -2.876) 17.381 15.766 ( -1.385 -15.697 1.849) 15.866 15.930 ( -4.330 -9.642 -0.492) 10.581 17.162 ( 6.673 23.508 0.226) 24.438 17.575 ( 9.066 20.829 -3.818) 23.036 18.538 ( -2.234 -12.158 -3.032) 12.728 18.760 ( -0.183 -21.287 -5.231) 21.921 20.415 ( 1.134 2.239 -3.116) 4.001 20.916 ( 0.186 11.707 -2.588) 11.991 23.481 ( -0.524 1.992 4.989) 5.398 23.624 ( -3.782 0.540 6.041) 7.148 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.679 17.279 5.811) 18.242 2.486 ( 0.729 10.258 2.249) 10.527 2.647 ( -0.112 -5.792 -5.382) 7.907 2.791 ( 0.779 -0.772 -0.653) 1.277 2.968 ( 0.831 1.371 -7.319) 7.493 3.146 ( 6.666 -3.947 0.826) 7.791 3.289 ( -1.694 -2.363 -0.972) 3.065 3.329 ( -0.655 -7.075 1.745) 7.316 3.438 ( -0.654 -5.597 -2.718) 6.256 3.553 ( 2.535 12.831 0.696) 13.098 3.662 ( -0.116 -5.385 -0.002) 5.386 3.895 ( -3.469 -2.165 -1.135) 4.244 4.160 ( 4.385 1.329 -0.420) 4.601 4.250 ( -0.577 1.742 -3.821) 4.239 4.590 ( -5.219 -2.509 3.689) 6.866 4.867 ( 1.842 16.405 9.802) 19.199 5.068 ( -2.826 -2.916 2.854) 4.963 5.165 ( -1.998 3.973 2.269) 4.993 5.230 ( -0.754 5.127 1.968) 5.543 5.402 ( 1.444 -6.494 3.324) 7.437 5.498 ( -6.328 1.917 2.188) 6.964 5.578 ( 0.245 1.002 -5.419) 5.516 5.831 ( 5.761 -4.118 -5.613) 9.036 5.927 ( 1.538 -3.328 -6.754) 7.685 6.592 ( 1.737 9.198 -1.742) 9.521 6.665 ( 0.513 0.402 -2.024) 2.126 7.066 ( -6.244 -3.265 2.761) 7.568 7.457 ( 1.650 -2.995 5.111) 6.149 7.533 ( -0.660 3.560 3.095) 4.764 8.034 ( 8.958 -2.717 0.420) 9.370 8.267 ( -6.344 -2.505 1.630) 7.013 8.680 ( -0.729 -3.042 1.843) 3.631 9.030 ( -9.181 -2.385 8.726) 12.889 9.364 ( 6.112 3.093 -1.503) 7.014 9.732 ( -2.263 -0.325 -3.230) 3.958 10.231 ( 4.249 -0.395 -2.656) 5.027 10.376 ( -4.845 8.387 -7.708) 12.378 10.600 ( 15.876 0.797 -5.353) 16.773 10.749 ( -3.379 1.536 0.630) 3.765 11.268 ( 1.977 -12.235 -8.541) 15.051 11.670 ( -6.659 -20.498 0.715) 21.565 12.077 ( -0.419 6.906 6.991) 9.836 12.169 ( -0.823 13.524 2.485) 13.775 12.838 ( 0.883 7.972 1.709) 8.201 13.277 ( -4.619 2.540 3.652) 6.413 13.361 ( 1.579 1.611 -1.172) 2.542 13.683 ( 2.747 -11.315 -1.763) 11.777 13.902 ( -2.486 -12.114 1.967) 12.522 14.249 ( 9.021 1.266 2.050) 9.338 14.501 ( -6.874 1.370 -0.657) 7.040 16.033 ( -2.931 -11.605 0.397) 11.976 16.087 ( -0.046 -13.743 -0.870) 13.770 16.776 ( 2.662 22.652 -1.611) 22.865 17.138 ( -0.038 28.137 -3.476) 28.351 18.643 ( -2.261 -0.104 0.747) 2.384 19.118 ( 5.621 -14.956 -6.475) 17.240 20.399 ( 2.737 -0.049 -2.952) 4.026 20.788 ( -1.346 0.430 -4.646) 4.856 23.435 ( -1.823 2.509 4.384) 5.371 23.661 ( -1.579 -4.623 7.058) 8.584 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.118 20.045 8.634) 22.047 2.247 ( 0.010 16.506 8.175) 18.420 2.704 ( 4.463 2.300 -5.711) 7.604 2.840 ( 2.831 0.432 -5.978) 6.628 2.933 ( -0.347 -1.763 -5.622) 5.902 3.197 ( 2.820 2.167 -1.223) 3.761 3.298 ( -2.283 -0.462 -4.225) 4.825 3.391 ( 0.223 0.339 -4.111) 4.131 3.461 ( -2.466 -5.421 -0.425) 5.970 3.555 ( -1.207 -8.435 5.395) 10.085 3.770 ( -4.060 -6.492 2.493) 8.053 3.922 ( -0.719 -2.092 4.580) 5.086 4.125 ( -0.368 2.810 -0.519) 2.881 4.290 ( 0.420 -5.414 -3.312) 6.360 4.449 ( -0.808 18.846 9.817) 21.265 4.710 ( 2.665 1.596 2.372) 3.908 4.977 ( 1.988 12.263 -2.623) 12.697 5.099 ( -1.158 -1.496 2.180) 2.887 5.124 ( 1.152 10.370 -7.531) 12.868 5.356 ( -5.022 4.353 -1.511) 6.815 5.540 ( 0.148 -1.824 -2.800) 3.345 5.590 ( -4.887 -8.225 10.014) 13.849 5.936 ( 5.483 -3.189 -4.116) 7.561 6.047 ( 3.322 -7.757 -6.845) 10.866 6.427 ( 0.317 9.527 -2.010) 9.742 6.594 ( 0.801 6.916 -3.292) 7.702 7.106 ( -6.336 -4.889 7.807) 11.180 7.429 ( 1.051 5.054 4.782) 7.037 7.545 ( -0.355 -0.824 2.022) 2.212 8.083 ( 4.837 4.256 -0.525) 6.464 8.185 ( -1.955 7.399 3.816) 8.551 8.662 ( -5.366 3.227 3.443) 7.146 9.028 ( -5.328 -1.713 12.248) 13.466 9.345 ( 6.601 2.278 -6.517) 9.552 9.719 ( 1.035 1.765 -3.335) 3.913 10.132 ( -5.989 9.013 -10.200) 14.871 10.272 ( 6.866 1.961 -3.141) 7.801 10.674 ( 12.176 2.903 -1.191) 12.574 10.713 ( -5.012 -1.505 -2.196) 5.675 11.468 ( -1.828 -11.214 -7.789) 13.776 11.828 ( -3.555 20.871 2.977) 21.380 11.895 ( -0.149 12.638 3.038) 12.999 12.024 ( 0.340 -19.224 2.934) 19.450 12.676 ( 1.200 11.747 3.968) 12.457 13.138 ( -2.460 11.410 5.518) 12.911 13.342 ( 1.497 4.321 -1.925) 4.962 13.597 ( 0.068 11.231 -8.043) 13.814 14.108 ( -3.873 -14.412 3.249) 15.273 14.538 ( 9.268 -13.618 5.474) 17.358 14.629 ( -6.626 -21.563 0.249) 22.560 16.013 ( -1.431 11.685 -4.188) 12.495 16.345 ( -0.396 -3.233 2.240) 3.953 16.540 ( 1.532 -0.211 -1.715) 2.309 16.719 ( 1.776 10.458 -2.712) 10.949 18.466 ( -2.141 17.898 1.195) 18.065 19.283 ( 6.588 0.189 -13.067) 14.635 20.472 ( 2.198 -6.643 -1.353) 7.127 20.859 ( -2.525 -10.520 -3.390) 11.337 23.399 ( -1.100 1.318 3.700) 4.079 23.780 ( -2.581 -8.649 9.069) 12.795 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 11.170 18.414 9.729) 23.632 1.987 ( 1.233 15.802 12.958) 20.473 2.577 ( 0.894 13.582 -8.736) 16.174 2.727 ( 8.147 9.163 -11.404) 16.745 3.050 ( 0.323 -8.596 -4.882) 9.891 3.167 ( -3.038 1.164 -4.351) 5.433 3.251 ( 0.073 1.956 -3.406) 3.928 3.382 ( -6.637 -1.679 -0.445) 6.861 3.561 ( -0.766 -6.470 0.612) 6.543 3.747 ( 0.147 -10.274 8.463) 13.312 3.806 ( 2.059 14.629 13.184) 19.801 3.884 ( -0.882 -3.433 3.728) 5.144 4.035 ( -3.903 4.319 3.787) 6.945 4.278 ( 1.018 -1.950 8.385) 8.669 4.396 ( -1.751 -4.176 -6.844) 8.207 4.680 ( 1.164 5.596 -7.520) 9.446 4.789 ( 1.894 9.598 -4.080) 10.599 4.926 ( 1.059 5.259 -9.498) 10.908 5.122 ( 2.762 0.927 -0.573) 2.969 5.265 ( -0.628 3.655 -0.520) 3.745 5.561 ( -0.785 -1.021 1.104) 1.696 5.721 ( -4.303 -7.551 8.854) 12.407 5.999 ( 3.876 -0.192 -0.873) 3.977 6.182 ( 1.770 -5.960 -6.308) 8.857 6.264 ( 3.176 9.320 -5.070) 11.075 6.468 ( 2.437 6.338 -3.193) 7.503 7.137 ( -8.768 -2.127 12.423) 15.353 7.339 ( 2.684 8.809 3.520) 9.859 7.529 ( -3.014 0.932 0.412) 3.182 7.921 ( -2.980 12.551 -2.212) 13.088 8.049 ( 5.490 12.052 5.651) 14.399 8.544 ( -9.154 2.641 5.890) 11.201 9.061 ( -2.973 -2.075 11.420) 11.982 9.372 ( 8.272 -0.234 -7.357) 11.073 9.667 ( 4.555 5.277 -3.744) 7.913 9.928 ( -3.355 6.150 -12.343) 14.192 10.277 ( 4.119 2.006 -2.802) 5.370 10.669 ( -1.581 1.040 -2.376) 3.037 10.719 ( 3.578 0.946 -1.306) 3.925 11.376 ( -2.959 22.260 0.487) 22.461 11.574 ( -5.252 1.110 -3.131) 6.214 11.636 ( -1.822 15.663 0.958) 15.798 12.369 ( 0.307 -11.028 7.422) 13.296 12.512 ( 5.502 5.830 1.170) 8.102 12.908 ( -3.678 13.923 3.619) 14.848 13.046 ( 4.081 19.933 -10.993) 23.126 13.589 ( -0.912 -7.547 -1.912) 7.839 14.366 ( -3.155 -16.499 5.679) 17.732 14.801 ( -2.526 -13.706 4.718) 14.713 14.938 ( 0.200 -9.802 -0.708) 9.830 15.762 ( 0.355 8.599 -3.175) 9.174 16.059 ( -10.069 17.689 3.052) 20.582 16.736 ( 14.284 -8.775 -3.055) 17.040 16.903 ( 6.785 -16.610 -0.915) 17.966 18.038 ( -1.492 27.227 -1.819) 27.328 19.167 ( 5.829 13.303 -18.595) 23.594 20.630 ( -0.514 -9.650 -0.817) 9.698 21.065 ( -1.965 -14.201 0.284) 14.339 23.386 ( -0.217 0.445 3.124) 3.163 23.964 ( -5.468 -13.126 11.337) 18.186 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 15.068 0.000 12.799) 19.770 2.176 ( 17.496 0.000 3.352) 17.814 2.309 ( 9.412 0.000 0.624) 9.433 2.363 ( 9.128 0.000 -10.440) 13.867 2.770 ( -9.129 -0.000 -1.568) 9.263 2.895 ( -12.079 -0.000 6.756) 13.840 3.357 ( 1.161 0.000 -0.856) 1.442 3.592 ( 4.854 0.000 1.601) 5.112 3.674 ( -2.522 -0.000 -1.373) 2.872 3.821 ( 2.216 0.000 -11.669) 11.878 3.899 ( -0.822 -0.000 6.685) 6.735 4.071 ( -13.133 -0.000 -3.070) 13.487 4.076 ( 5.436 0.000 -0.596) 5.469 4.239 ( 13.418 0.000 0.539) 13.429 4.327 ( 16.122 0.000 6.551) 17.402 4.472 ( -5.954 -0.000 2.195) 6.346 4.683 ( -0.115 -0.000 -4.844) 4.846 4.943 ( 2.426 0.000 8.629) 8.964 5.098 ( 6.698 0.000 -2.297) 7.081 5.217 ( 4.733 0.000 -4.055) 6.232 5.602 ( 5.932 0.000 2.641) 6.493 5.687 ( -5.077 -0.000 -0.046) 5.077 5.837 ( 4.963 0.000 -0.516) 4.989 5.973 ( -15.541 -0.000 -1.008) 15.574 6.240 ( -2.755 -0.000 -0.540) 2.808 6.506 ( -10.226 -0.000 3.697) 10.874 6.610 ( -17.713 -0.000 16.859) 24.453 7.028 ( 4.113 0.000 -8.348) 9.306 7.068 ( -2.814 -0.000 -2.622) 3.846 7.461 ( 5.041 0.000 -3.435) 6.100 7.924 ( 7.436 0.000 -2.684) 7.905 8.573 ( -5.080 -0.000 -5.133) 7.222 8.939 ( -3.838 -0.000 8.110) 8.973 9.300 ( 4.943 0.000 -8.957) 10.231 9.610 ( 1.879 0.000 12.727) 12.865 10.119 ( -8.470 -0.000 9.870) 13.006 10.158 ( 3.952 0.000 -3.040) 4.986 10.357 ( -1.592 -0.000 -6.921) 7.102 10.454 ( -2.053 -0.000 -1.438) 2.506 10.757 ( -0.743 -0.000 0.056) 0.745 10.904 ( -1.080 -0.000 -0.026) 1.080 10.953 ( 2.140 0.000 4.142) 4.662 12.130 ( 2.277 0.000 -4.987) 5.482 12.409 ( 11.263 0.000 -8.657) 14.206 12.559 ( 2.193 0.000 3.562) 4.183 13.451 ( 3.114 0.000 1.899) 3.647 14.114 ( 3.597 0.000 0.624) 3.650 14.751 ( -18.558 -0.000 -7.075) 19.861 14.866 ( 7.596 0.000 0.335) 7.603 15.012 ( 0.185 0.000 3.040) 3.046 15.135 ( -4.062 -0.000 -0.305) 4.073 16.195 ( 2.704 0.000 0.228) 2.713 16.806 ( -2.773 -0.000 -2.472) 3.715 17.035 ( -1.243 -0.000 2.120) 2.458 18.049 ( 16.071 0.000 -0.353) 16.075 19.088 ( 17.682 0.000 -28.507) 33.545 20.629 ( -8.976 -0.000 -0.468) 8.988 21.636 ( 2.420 0.000 4.326) 4.957 23.477 ( 2.651 0.000 3.621) 4.488 24.083 ( -16.615 -0.000 11.843) 20.404 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 10.345 -8.558 11.975) 17.990 2.289 ( 9.734 0.739 -1.751) 9.918 2.316 ( 7.371 -2.059 -7.321) 10.591 2.606 ( 2.950 -13.009 0.960) 13.374 2.691 ( 2.409 -0.417 -3.253) 4.069 2.907 ( -6.426 -5.610 5.479) 10.138 3.343 ( 0.749 2.905 -0.358) 3.021 3.491 ( 0.008 10.680 -2.578) 10.986 3.633 ( -0.251 2.852 2.339) 3.697 3.813 ( -6.125 4.913 2.419) 8.216 3.891 ( 0.233 -3.831 -8.619) 9.435 3.936 ( -0.789 0.651 2.516) 2.716 4.207 ( -9.371 -10.689 -3.768) 14.706 4.281 ( -1.603 0.455 0.938) 1.912 4.437 ( -0.890 -0.793 2.451) 2.726 4.564 ( 21.367 -1.139 11.730) 24.402 4.733 ( 17.225 -2.405 -13.393) 21.951 4.939 ( 2.349 4.261 8.387) 9.696 5.151 ( 7.422 -0.089 -2.004) 7.689 5.290 ( 3.594 -4.180 -4.607) 7.184 5.637 ( -8.646 -0.715 -1.888) 8.879 5.784 ( 4.047 -10.010 3.974) 11.505 5.829 ( -12.586 -0.461 3.991) 13.212 5.894 ( 2.014 -1.445 2.061) 3.224 6.258 ( -3.995 -7.961 0.060) 8.908 6.394 ( -7.110 4.014 4.021) 9.102 6.608 ( -14.937 -9.490 14.394) 22.811 7.080 ( -0.068 -7.579 -12.668) 14.763 7.126 ( -0.040 -6.588 -0.333) 6.596 7.467 ( 6.737 3.597 -5.015) 9.136 8.024 ( 6.050 -5.014 -4.525) 9.068 8.452 ( -5.245 5.334 -1.417) 7.613 8.965 ( -7.115 -3.835 8.811) 11.957 9.320 ( 6.823 1.874 -3.800) 8.031 9.704 ( 2.896 -6.075 6.117) 9.094 10.038 ( -9.439 2.428 7.079) 12.046 10.287 ( 4.838 -9.402 -2.979) 10.985 10.339 ( -0.074 -0.806 -4.416) 4.490 10.545 ( -1.126 -10.499 -1.349) 10.645 10.705 ( -4.232 0.998 -1.148) 4.497 10.980 ( 3.404 -8.067 1.411) 8.869 11.021 ( -5.448 -6.333 3.299) 8.981 12.173 ( 2.152 -3.551 -3.303) 5.306 12.485 ( 9.166 -0.398 -5.904) 10.910 12.624 ( 2.522 -4.203 3.312) 5.916 13.438 ( 2.764 4.000 1.272) 5.026 14.069 ( 1.890 7.595 0.909) 7.879 14.502 ( -12.151 10.382 -6.557) 17.274 14.931 ( 2.252 5.835 2.360) 6.685 15.008 ( 5.831 -4.719 -1.047) 7.574 15.178 ( -5.592 -6.965 1.252) 9.019 16.071 ( 1.178 12.303 0.356) 12.365 16.980 ( -1.286 -19.064 -2.141) 19.227 17.184 ( -0.386 -16.019 3.075) 16.316 18.105 ( 13.128 6.459 -0.853) 14.656 19.067 ( 11.467 9.093 -25.880) 29.731 20.549 ( -6.803 1.419 -0.383) 6.960 21.596 ( 1.912 7.290 2.841) 8.054 23.503 ( 2.850 0.611 4.349) 5.235 23.940 ( -13.705 4.595 9.750) 17.436 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -5.114 -6.245 4.085) 9.047 2.331 ( 6.785 -0.388 -9.644) 11.798 2.508 ( 6.963 -12.253 2.127) 14.253 2.742 ( 7.563 -5.106 -4.170) 10.033 2.868 ( -2.414 -8.896 0.828) 9.255 2.996 ( 4.477 -4.774 -0.814) 6.595 3.223 ( -5.211 10.633 1.614) 11.951 3.303 ( 1.250 6.537 0.005) 6.656 3.600 ( 1.670 3.407 2.283) 4.428 3.734 ( 0.509 0.949 1.908) 2.191 3.866 ( -2.826 4.379 -3.233) 6.133 3.958 ( 2.542 -0.165 4.024) 4.763 4.230 ( -11.007 -4.687 0.525) 11.975 4.314 ( -1.739 -4.097 -1.566) 4.718 4.447 ( -3.331 -1.804 -1.058) 3.933 4.786 ( 15.747 -5.085 5.444) 17.420 4.853 ( 6.908 1.978 -3.593) 8.034 4.965 ( 12.115 -2.529 2.493) 12.625 5.214 ( 8.938 -0.582 -2.778) 9.378 5.355 ( 0.921 -0.703 -1.683) 2.043 5.520 ( -17.581 0.324 -1.740) 17.670 5.708 ( -6.586 1.659 3.014) 7.431 5.873 ( 3.013 1.815 5.869) 6.842 6.081 ( -0.990 -3.598 4.167) 5.593 6.326 ( -1.278 -7.259 0.190) 7.373 6.515 ( 4.462 -15.636 0.769) 16.278 6.739 ( -11.897 -13.786 11.596) 21.589 7.227 ( 1.089 -10.809 -9.515) 14.441 7.281 ( -4.251 -13.575 -2.118) 14.382 7.434 ( 7.106 3.678 -6.106) 10.066 8.107 ( 3.720 0.892 -2.393) 4.512 8.376 ( -4.187 -2.612 0.100) 4.936 8.974 ( -9.400 -2.523 8.992) 13.251 9.332 ( 8.959 3.372 4.669) 10.651 9.893 ( -0.030 -11.317 -6.013) 12.816 9.932 ( -6.143 1.916 3.933) 7.542 10.340 ( -0.987 -2.349 -5.094) 5.696 10.483 ( 9.298 -3.827 -0.380) 10.062 10.733 ( 1.549 -10.088 -4.968) 11.351 10.760 ( -3.991 -10.993 -2.059) 11.875 10.971 ( -10.702 -3.249 0.444) 11.193 11.349 ( 5.902 -20.953 7.272) 22.951 12.258 ( -0.244 -5.313 -2.353) 5.815 12.549 ( 3.850 -3.615 -2.108) 5.686 12.746 ( 0.840 -6.935 3.110) 7.647 13.380 ( 3.187 5.154 0.702) 6.100 13.894 ( 0.880 13.175 0.179) 13.205 14.206 ( -8.332 11.687 -4.981) 15.193 14.795 ( 4.058 11.744 2.541) 12.682 15.097 ( -3.685 -0.646 -0.880) 3.844 15.304 ( -0.562 -10.558 1.023) 10.622 15.878 ( 0.806 8.968 0.508) 9.018 17.365 ( 1.466 -23.676 -0.486) 23.726 17.532 ( 1.452 -17.331 5.913) 18.369 18.063 ( 9.121 4.690 -3.464) 10.825 18.836 ( 3.461 17.128 -21.906) 28.022 20.481 ( -3.317 1.425 -1.000) 3.747 21.431 ( 1.667 13.263 1.014) 13.406 23.521 ( 2.648 1.023 5.014) 5.762 23.771 ( -9.951 5.660 7.380) 13.621 ======================= Grid point 241 (117/172) ======================= q-point: (-0.40 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -8.561 -8.938 -3.518) 12.867 2.411 ( 6.405 -3.903 -5.570) 9.343 2.762 ( 1.876 -11.037 0.617) 11.212 2.876 ( 4.260 -1.510 -5.007) 6.745 2.920 ( 0.109 4.483 -0.870) 4.568 2.996 ( -3.326 1.420 3.674) 5.156 3.087 ( 2.340 -2.215 -3.447) 4.718 3.280 ( 4.840 1.421 2.183) 5.497 3.519 ( 0.207 6.655 3.210) 7.391 3.707 ( -1.843 7.531 -1.636) 7.924 3.783 ( 2.255 -2.273 -3.850) 5.007 3.981 ( 2.857 3.285 6.510) 7.832 4.215 ( -2.740 1.337 1.994) 3.643 4.362 ( -5.047 -5.286 3.468) 8.090 4.422 ( -1.585 1.633 -4.249) 4.820 4.875 ( -0.880 -4.127 -0.686) 4.275 5.014 ( 9.884 -5.807 5.164) 12.573 5.106 ( 0.723 -6.061 3.855) 7.220 5.261 ( -3.597 4.414 1.717) 5.947 5.303 ( 1.683 -1.443 -3.270) 3.951 5.459 ( -1.536 -2.137 1.345) 2.956 5.677 ( 1.309 -0.389 -2.975) 3.273 5.857 ( 2.896 5.914 6.713) 9.404 5.999 ( -5.193 4.282 -2.388) 7.142 6.507 ( 1.827 -8.441 0.176) 8.638 6.743 ( -2.021 -6.711 0.253) 7.013 6.908 ( -1.871 -7.004 4.231) 8.394 7.351 ( 3.756 -1.226 0.190) 3.956 7.495 ( -1.086 -10.638 -2.495) 10.981 7.585 ( 1.901 -21.510 -7.376) 22.819 8.082 ( 1.686 2.091 4.863) 5.555 8.439 ( -4.997 -7.556 -3.821) 9.832 8.958 ( -7.997 -1.420 10.591) 13.347 9.383 ( 9.588 0.587 5.889) 11.268 9.804 ( -7.892 3.128 -1.955) 8.712 10.116 ( 4.773 -9.259 -8.712) 13.579 10.376 ( -1.914 -4.033 -5.052) 6.742 10.605 ( 8.745 -1.584 2.762) 9.306 10.805 ( -2.563 -1.582 -6.941) 7.566 10.913 ( -2.880 -9.499 -5.069) 11.145 11.078 ( -1.424 -12.616 1.151) 12.749 11.794 ( 4.092 -21.019 8.691) 23.110 12.307 ( -4.375 -2.172 0.045) 4.885 12.748 ( 2.910 -17.645 -1.473) 17.944 12.881 ( -1.059 -7.604 2.297) 8.013 13.322 ( 1.613 3.557 0.989) 4.029 13.644 ( 1.147 15.110 -1.293) 15.209 13.964 ( -4.721 8.224 -2.086) 9.709 14.608 ( 4.118 13.706 3.657) 14.771 14.951 ( -6.126 11.416 -2.361) 13.169 15.516 ( 0.490 -12.816 1.210) 12.882 15.812 ( 0.160 -1.029 0.358) 1.101 17.576 ( 3.677 15.416 4.713) 16.534 17.766 ( 6.807 -13.548 0.013) 15.162 18.282 ( 3.210 -21.434 -1.162) 21.705 18.482 ( -5.707 11.176 -17.913) 21.871 20.439 ( -0.607 1.276 -2.112) 2.541 21.182 ( 2.110 16.072 -1.082) 16.246 23.531 ( 1.739 1.702 5.670) 6.170 23.633 ( -6.501 3.474 5.603) 9.259 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -5.266 -10.978 -3.870) 12.776 2.506 ( 2.940 -2.157 -3.139) 4.812 2.687 ( 0.188 13.330 2.567) 13.576 2.843 ( -0.659 3.439 -2.249) 4.162 2.925 ( -1.643 -4.403 -3.147) 5.656 3.112 ( 3.467 -6.439 3.158) 7.966 3.192 ( 2.546 -7.232 -0.780) 7.707 3.286 ( 5.061 1.944 -3.622) 6.520 3.415 ( -0.016 4.381 0.805) 4.454 3.603 ( -1.972 1.901 -0.988) 2.912 3.805 ( -4.283 -2.045 -3.226) 5.739 3.855 ( 1.477 13.453 3.448) 13.966 4.198 ( 0.618 0.483 1.908) 2.063 4.320 ( 0.851 5.241 -4.325) 6.848 4.479 ( -1.796 -7.015 4.957) 8.776 4.952 ( -5.438 -6.323 1.539) 8.480 5.117 ( 0.195 4.121 5.962) 7.251 5.149 ( -0.655 -2.802 6.102) 6.746 5.224 ( -1.998 -0.618 8.428) 8.684 5.367 ( 5.411 -3.322 -3.070) 7.053 5.520 ( 0.219 -3.271 -3.137) 4.538 5.633 ( 0.169 9.809 1.185) 9.882 5.799 ( 5.063 -0.865 -3.087) 5.993 5.907 ( -1.728 1.792 -7.022) 7.450 6.616 ( -2.489 -3.441 1.222) 4.419 6.739 ( -0.033 3.769 -2.750) 4.666 6.979 ( -1.236 -2.854 2.162) 3.788 7.420 ( 2.506 -3.187 3.297) 5.226 7.581 ( 0.128 -0.041 -1.102) 1.110 7.954 ( 0.928 -16.042 -3.012) 16.349 8.135 ( 2.022 -4.589 6.294) 8.047 8.537 ( -5.373 -9.379 -3.395) 11.330 8.953 ( -6.258 -1.466 12.683) 14.219 9.465 ( 9.377 0.961 1.317) 9.518 9.702 ( -4.294 1.296 -4.146) 6.108 10.231 ( 2.313 -2.376 -8.109) 8.761 10.400 ( -0.417 -0.567 -5.148) 5.196 10.648 ( -5.076 -1.152 4.128) 6.644 10.825 ( 11.430 2.482 -5.013) 12.725 11.043 ( -2.635 -10.337 -8.672) 13.748 11.317 ( 0.087 -15.760 0.128) 15.760 12.110 ( 2.368 -7.380 8.919) 11.816 12.277 ( -4.526 1.605 1.969) 5.190 12.928 ( -0.373 0.374 0.945) 1.083 13.209 ( -3.017 -24.254 -0.710) 24.451 13.297 ( -1.509 -4.488 2.440) 5.326 13.438 ( 5.610 7.756 -2.978) 10.025 13.848 ( -1.548 2.071 1.283) 2.886 14.430 ( 3.668 9.457 4.791) 11.218 14.636 ( -4.714 17.223 -3.987) 18.296 15.771 ( 0.883 -15.433 1.481) 15.529 15.895 ( 0.444 -7.382 -0.754) 7.434 17.234 ( 2.072 24.424 -0.062) 24.512 17.650 ( 2.499 27.237 -4.108) 27.658 18.453 ( -4.517 -15.884 -3.510) 16.883 18.766 ( 1.262 -24.848 -3.008) 25.061 20.411 ( -0.059 1.022 -3.111) 3.275 20.928 ( 3.298 13.492 -3.406) 14.301 23.488 ( -1.541 3.781 5.315) 6.702 23.605 ( -1.939 -1.873 5.692) 6.298 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 4.464 15.440 4.663) 16.735 2.503 ( 0.037 7.881 -0.221) 7.884 2.636 ( 1.263 -8.887 -1.884) 9.172 2.781 ( -1.190 -0.513 -2.586) 2.893 2.948 ( -1.101 -0.851 -5.058) 5.246 3.228 ( 1.326 -1.664 0.238) 2.141 3.272 ( 3.509 1.128 -4.552) 5.858 3.316 ( -1.956 -4.951 2.799) 6.015 3.418 ( -0.822 -4.806 -0.583) 4.910 3.550 ( -1.924 7.272 -1.485) 7.667 3.661 ( -1.461 1.995 1.436) 2.859 3.823 ( -3.427 -5.168 -0.819) 6.255 4.163 ( -3.361 2.549 0.565) 4.256 4.257 ( 2.590 1.776 -4.108) 5.171 4.592 ( 2.892 -3.114 4.207) 5.979 4.944 ( 2.167 11.489 9.763) 15.232 5.058 ( 0.330 -0.706 3.236) 3.329 5.166 ( 1.153 3.936 1.927) 4.531 5.241 ( -0.427 1.585 6.055) 6.273 5.387 ( -6.390 6.187 -2.759) 9.313 5.440 ( 0.322 -1.534 -1.252) 2.006 5.562 ( 0.843 1.465 -0.800) 1.870 5.892 ( 5.486 -4.943 -8.973) 11.621 5.927 ( 2.044 -5.848 -5.039) 7.985 6.553 ( -5.019 5.689 0.528) 7.605 6.686 ( 2.248 3.283 -3.070) 5.025 7.021 ( -0.949 -2.418 5.052) 5.681 7.487 ( -0.804 -1.786 5.227) 5.582 7.547 ( 0.952 2.714 -0.371) 2.900 8.099 ( -4.484 -3.573 -2.644) 6.314 8.246 ( 5.609 -1.561 6.323) 8.595 8.630 ( -4.809 -4.116 -0.868) 6.389 8.968 ( -5.577 -2.164 14.330) 15.528 9.475 ( 9.738 5.187 -4.683) 11.986 9.690 ( -1.239 -2.651 -5.010) 5.802 10.186 ( -4.853 4.101 -5.211) 8.218 10.388 ( 7.191 3.354 -3.759) 8.780 10.618 ( -8.963 -2.156 -2.259) 9.492 10.844 ( 12.504 5.290 -2.606) 13.825 11.196 ( -5.564 -12.707 -8.468) 16.252 11.648 ( 3.204 -19.286 1.828) 19.636 12.093 ( -1.235 10.012 5.823) 11.648 12.172 ( -0.434 9.771 2.709) 10.149 12.855 ( 0.146 6.902 1.031) 6.980 13.213 ( -4.170 0.323 3.792) 5.645 13.402 ( 3.102 4.226 -0.520) 5.268 13.682 ( -1.982 -12.905 -2.002) 13.209 13.886 ( -0.448 -7.637 3.266) 8.318 14.345 ( -5.642 4.082 -4.376) 8.224 14.424 ( 5.038 -5.009 4.746) 8.544 16.007 ( -0.049 -6.145 0.095) 6.146 16.107 ( 2.552 -17.374 -0.519) 17.568 16.813 ( 2.665 22.862 -2.662) 23.171 17.129 ( 0.947 28.088 -3.226) 28.288 18.606 ( -2.620 -1.311 1.420) 3.255 19.133 ( -0.200 -16.033 -6.424) 17.273 20.400 ( -0.940 -1.714 -3.056) 3.628 20.790 ( 4.130 3.511 -4.605) 7.113 23.433 ( -0.983 2.437 4.547) 5.251 23.661 ( -2.392 -4.701 6.948) 8.723 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 11.649 16.560 4.727) 20.791 2.293 ( 2.270 14.971 4.741) 15.867 2.733 ( 1.454 3.303 -5.778) 6.812 2.850 ( -0.947 -9.284 -2.862) 9.761 2.920 ( 4.136 3.304 -7.179) 8.919 3.187 ( -3.790 2.047 -1.724) 4.640 3.214 ( -4.575 4.273 -4.186) 7.531 3.369 ( -0.905 3.118 -3.943) 5.107 3.433 ( -0.206 -5.889 1.148) 6.004 3.568 ( -0.971 -10.545 6.325) 12.334 3.711 ( -3.857 -6.236 0.998) 7.401 3.924 ( -0.862 -6.006 4.400) 7.495 4.083 ( -4.692 2.160 1.346) 5.338 4.294 ( 2.653 -4.222 -3.637) 6.172 4.538 ( 4.473 17.407 12.465) 21.872 4.789 ( 4.546 6.560 3.564) 8.741 4.988 ( 1.425 11.393 -4.718) 12.413 5.107 ( 3.096 13.049 -11.564) 17.708 5.136 ( 3.426 -0.935 0.385) 3.572 5.281 ( -4.528 0.126 3.921) 5.991 5.512 ( -4.339 -5.898 1.513) 7.476 5.586 ( 0.365 -3.587 6.686) 7.597 5.996 ( 4.550 -3.479 -5.136) 7.693 6.057 ( 1.489 -7.427 -7.666) 10.777 6.414 ( -0.127 6.661 -1.739) 6.886 6.608 ( 2.316 6.605 -2.321) 7.374 7.068 ( -3.067 -2.249 9.679) 10.400 7.483 ( 3.616 4.002 1.480) 5.593 7.511 ( -5.006 0.522 1.593) 5.279 8.031 ( -6.743 4.756 -2.696) 8.681 8.282 ( 7.540 5.734 6.330) 11.393 8.561 ( -7.995 5.275 2.283) 9.847 9.003 ( -5.295 -2.848 14.974) 16.136 9.460 ( 9.209 3.201 -7.513) 12.308 9.711 ( 2.180 -0.694 -6.698) 7.078 10.032 ( -1.500 8.008 -4.831) 9.471 10.366 ( 4.625 4.006 -2.958) 6.796 10.585 ( -6.998 -2.407 -6.569) 9.895 10.834 ( 8.552 4.672 -1.059) 9.802 11.341 ( -9.068 -11.311 -6.076) 15.719 11.761 ( -5.588 17.000 3.791) 18.292 11.905 ( -0.240 13.109 2.661) 13.378 12.136 ( 9.422 -14.372 3.064) 17.456 12.720 ( 2.582 9.481 2.167) 10.062 13.111 ( -3.640 10.887 5.615) 12.779 13.371 ( 2.735 5.358 -2.055) 6.357 13.528 ( -4.003 11.716 -6.242) 13.866 14.096 ( -0.421 -13.779 5.240) 14.747 14.446 ( -12.194 -17.203 -0.338) 21.089 14.713 ( 6.887 -17.733 2.463) 19.182 15.944 ( -4.590 10.927 -2.149) 12.045 16.271 ( -7.035 9.314 1.322) 11.747 16.663 ( 11.134 -9.197 -1.848) 14.559 16.855 ( 16.015 5.041 -3.534) 17.157 18.437 ( -1.850 17.822 1.822) 18.010 19.247 ( -3.223 -0.720 -13.153) 13.561 20.463 ( -1.781 -7.211 -1.956) 7.681 20.859 ( 3.377 -8.267 -2.093) 9.172 23.407 ( 0.005 1.179 3.880) 4.055 23.763 ( -4.520 -7.964 8.674) 12.613 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 7.862 0.000 12.499) 14.766 2.281 ( -6.880 -0.000 1.426) 7.027 2.419 ( 3.346 0.000 -8.690) 9.312 2.465 ( 8.784 0.000 2.037) 9.018 2.759 ( 9.417 0.000 -1.249) 9.499 2.817 ( 1.231 0.000 6.080) 6.203 3.375 ( 0.797 0.000 0.495) 0.938 3.601 ( -1.592 -0.000 -4.754) 5.014 3.697 ( 2.514 0.000 5.896) 6.410 3.782 ( 0.251 0.000 -14.070) 14.073 3.853 ( -12.424 -0.000 -1.442) 12.508 3.883 ( -3.319 -0.000 4.852) 5.879 4.026 ( -3.814 -0.000 -0.928) 3.925 4.276 ( -2.891 -0.000 0.941) 3.041 4.404 ( -3.175 -0.000 1.296) 3.429 4.741 ( 17.060 0.000 0.331) 17.063 4.887 ( 27.592 0.000 -3.204) 27.778 5.006 ( 0.634 0.000 7.814) 7.839 5.212 ( 9.396 0.000 -2.648) 9.762 5.256 ( 2.393 0.000 -4.757) 5.325 5.523 ( -17.400 -0.000 -3.862) 17.824 5.717 ( 5.715 0.000 5.275) 7.777 5.746 ( -9.935 -0.000 6.349) 11.790 5.910 ( 3.492 0.000 2.700) 4.414 6.117 ( -11.612 -0.000 -0.004) 11.612 6.411 ( -3.739 -0.000 5.187) 6.394 6.429 ( -13.996 -0.000 15.538) 20.912 6.975 ( -0.513 -0.000 -11.433) 11.445 7.091 ( 3.708 0.000 -3.941) 5.411 7.549 ( 7.823 0.000 -6.289) 10.037 8.000 ( 3.812 0.000 -4.653) 6.015 8.442 ( -7.145 -0.000 -6.434) 9.615 8.904 ( -6.325 -0.000 12.933) 14.397 9.367 ( 8.027 0.000 -10.170) 12.957 9.738 ( 6.002 0.000 14.144) 15.364 10.002 ( -9.970 -0.000 8.377) 13.022 10.194 ( 1.775 0.000 -1.320) 2.212 10.361 ( 4.148 0.000 -1.897) 4.561 10.399 ( -3.261 -0.000 -2.557) 4.144 10.700 ( -3.222 -0.000 -0.901) 3.346 10.914 ( -7.220 -0.000 2.589) 7.670 10.943 ( 3.170 0.000 0.614) 3.229 12.163 ( 3.745 0.000 -2.894) 4.733 12.555 ( 9.565 0.000 -7.040) 11.877 12.612 ( 1.982 0.000 3.800) 4.286 13.490 ( 0.827 0.000 1.153) 1.419 14.146 ( -0.418 -0.000 2.181) 2.221 14.516 ( -6.558 -0.000 -8.317) 10.591 14.969 ( 4.744 0.000 -0.103) 4.745 15.043 ( 2.135 0.000 2.294) 3.134 15.074 ( -3.039 -0.000 -0.053) 3.039 16.221 ( 0.444 0.000 0.253) 0.511 16.753 ( -2.075 -0.000 -2.547) 3.285 17.031 ( -0.544 -0.000 2.146) 2.214 18.253 ( 8.933 0.000 0.067) 8.933 19.181 ( 9.190 0.000 -24.699) 26.353 20.508 ( -5.603 -0.000 -0.092) 5.603 21.683 ( 1.982 0.000 1.882) 2.733 23.547 ( 3.583 0.000 5.404) 6.484 23.893 ( -13.097 -0.000 8.532) 15.631 ======================= Grid point 250 (122/172) ======================= q-point: (-0.50 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -13.178 -0.417 5.934) 14.459 2.310 ( -6.259 -7.696 6.612) 11.922 2.441 ( 13.332 -0.229 -8.831) 15.994 2.627 ( 2.123 -8.621 4.721) 10.056 2.830 ( 13.456 -0.973 -5.279) 14.487 2.943 ( 5.539 -5.371 3.393) 8.428 3.342 ( -1.305 5.120 2.096) 5.684 3.438 ( -3.323 10.074 -5.427) 11.916 3.665 ( 2.154 1.356 1.357) 2.884 3.758 ( -2.223 1.532 3.153) 4.151 3.850 ( -0.442 -3.357 -5.888) 6.792 3.939 ( -6.630 -8.045 0.097) 10.425 4.027 ( -3.414 -1.504 1.168) 3.909 4.248 ( -1.138 -0.176 -0.683) 1.339 4.408 ( -1.256 -1.695 1.040) 2.352 4.854 ( 13.419 0.090 -3.757) 13.935 4.975 ( 4.004 4.632 0.451) 6.139 5.059 ( 7.991 -0.168 2.818) 8.475 5.270 ( 2.907 -0.315 -3.765) 4.767 5.301 ( -8.301 -2.204 -3.575) 9.303 5.393 ( -0.251 -1.152 3.036) 3.257 5.705 ( -1.146 0.893 3.820) 4.087 5.880 ( 0.675 -5.349 3.595) 6.480 5.947 ( 1.682 -7.213 4.077) 8.454 6.164 ( -3.720 -12.227 1.621) 12.883 6.363 ( -2.548 -0.460 6.428) 6.930 6.459 ( -10.751 -8.527 12.250) 18.394 7.015 ( 0.006 -7.309 -10.675) 12.938 7.148 ( 3.729 -3.988 -5.450) 7.714 7.553 ( 6.710 4.057 -7.021) 10.525 8.069 ( 1.643 -5.637 -4.293) 7.274 8.344 ( -6.135 2.711 -3.475) 7.554 8.898 ( -6.829 -1.619 12.963) 14.741 9.441 ( 9.204 -2.099 -6.036) 11.205 9.773 ( 2.037 1.208 7.014) 7.403 9.926 ( -7.025 1.750 6.068) 9.446 10.286 ( -0.207 -3.137 -3.972) 5.065 10.373 ( 3.761 -7.812 -1.942) 8.885 10.561 ( 4.010 -12.686 1.415) 13.380 10.662 ( -1.628 0.965 0.236) 1.907 10.849 ( -9.183 -0.445 -2.254) 9.466 11.102 ( 3.957 -13.437 3.838) 14.524 12.202 ( 2.669 -1.798 -2.420) 4.026 12.578 ( 4.975 1.849 -4.568) 7.002 12.667 ( 0.661 -3.598 3.181) 4.848 13.467 ( 0.201 2.972 0.827) 3.092 14.075 ( -1.941 7.273 2.081) 7.810 14.354 ( -2.687 10.786 -7.295) 13.296 14.995 ( 4.775 5.318 1.470) 7.297 15.036 ( -2.756 -1.248 0.257) 3.036 15.141 ( 0.889 -8.157 0.005) 8.206 16.079 ( -0.189 12.001 0.184) 12.004 16.954 ( -0.685 -20.704 -1.977) 20.809 17.194 ( 0.049 -17.204 3.129) 17.486 18.245 ( 4.177 6.534 -0.425) 7.766 19.083 ( 4.095 11.138 -22.292) 25.254 20.470 ( -2.512 0.449 -0.232) 2.562 21.635 ( 2.195 7.550 0.653) 7.889 23.580 ( 3.844 1.145 6.292) 7.462 23.784 ( -10.572 3.166 6.901) 13.016 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -14.454 -6.795 2.083) 16.107 2.392 ( 0.141 -4.400 -1.676) 4.711 2.571 ( 0.629 -8.306 -1.806) 8.523 2.807 ( 5.273 -6.974 4.189) 9.695 2.933 ( 6.452 -0.875 -4.260) 7.781 3.044 ( 2.502 -0.785 -5.844) 6.405 3.163 ( -1.117 8.769 0.086) 8.840 3.336 ( 2.294 1.798 2.853) 4.079 3.635 ( 1.439 5.169 0.275) 5.372 3.775 ( 1.293 -0.606 -2.751) 3.099 3.819 ( -2.000 4.660 1.719) 5.355 4.030 ( -2.042 -4.902 2.129) 5.721 4.039 ( -4.292 -5.239 4.591) 8.182 4.298 ( 1.597 -4.967 -2.352) 5.723 4.425 ( 0.380 0.261 -0.084) 0.469 4.861 ( -7.003 3.968 -0.673) 8.077 4.974 ( 6.607 -3.780 -3.304) 8.298 5.081 ( -5.683 -0.967 4.679) 7.425 5.161 ( -11.797 -0.895 3.143) 12.241 5.335 ( 4.596 -1.281 -3.231) 5.762 5.491 ( 10.661 0.813 0.486) 10.703 5.713 ( 6.875 1.105 0.381) 6.974 5.893 ( -1.490 -1.219 -0.676) 2.041 6.082 ( -1.016 3.950 8.301) 9.249 6.331 ( -0.157 -11.252 -0.447) 11.262 6.519 ( -5.767 -12.347 5.687) 14.767 6.695 ( 1.454 -21.242 8.464) 22.913 7.174 ( -0.864 -14.099 -9.627) 17.095 7.258 ( 2.365 -6.929 -3.606) 8.161 7.511 ( 5.733 3.173 -7.500) 9.959 8.157 ( 2.588 -1.299 0.595) 2.956 8.266 ( -7.847 -2.395 -3.340) 8.858 8.910 ( -5.122 -1.630 13.507) 14.537 9.513 ( 10.551 2.633 3.145) 11.320 9.764 ( -7.283 -0.275 -3.188) 7.954 9.945 ( 1.417 -7.694 -0.605) 7.847 10.316 ( 2.519 -2.346 -4.998) 6.068 10.594 ( 4.546 -8.835 -0.474) 9.947 10.634 ( -9.151 -3.676 -0.393) 9.869 10.789 ( 2.165 -4.379 -6.373) 8.030 10.878 ( 2.109 -12.591 2.436) 12.997 11.457 ( 3.560 -21.158 5.873) 22.244 12.240 ( -1.160 -1.739 -2.174) 3.016 12.595 ( 3.201 -3.328 -2.379) 5.194 12.759 ( -0.816 -6.089 3.064) 6.866 13.399 ( -1.311 4.425 0.773) 4.679 13.889 ( -1.598 11.746 0.705) 11.875 14.114 ( -0.404 12.296 -5.017) 13.286 14.863 ( 0.824 11.486 2.998) 11.899 15.032 ( -0.453 2.176 -1.135) 2.496 15.319 ( 0.612 -10.655 0.373) 10.679 15.890 ( 0.662 8.340 0.068) 8.367 17.378 ( 0.459 -26.736 -1.559) 26.785 17.578 ( 1.367 -19.998 7.600) 21.437 18.120 ( -0.134 5.836 -3.971) 7.060 18.762 ( -1.653 20.486 -19.118) 28.070 20.451 ( 0.240 0.812 -0.866) 1.211 21.466 ( 2.821 13.503 -0.720) 13.814 23.596 ( 3.162 1.807 6.525) 7.472 23.659 ( -7.354 4.200 5.783) 10.255 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -11.673 -12.093 0.302) 16.810 2.471 ( 3.152 -3.784 -4.372) 6.585 2.707 ( -6.829 -9.713 -2.027) 12.046 2.884 ( 0.699 6.250 0.172) 6.291 2.930 ( -0.305 5.077 -3.847) 6.377 3.010 ( 3.342 -7.329 3.296) 8.703 3.163 ( 8.642 -0.726 -4.974) 9.997 3.369 ( 4.972 0.417 1.386) 5.178 3.536 ( 0.309 6.873 1.937) 7.148 3.670 ( -1.212 6.475 -2.547) 7.063 3.734 ( -7.857 2.355 -3.961) 9.109 4.036 ( 0.219 4.109 4.812) 6.331 4.179 ( -0.595 -5.726 5.555) 8.000 4.366 ( 1.612 -0.327 3.459) 3.830 4.413 ( 2.064 0.501 -4.246) 4.747 4.766 ( -12.623 -5.928 1.029) 13.984 5.039 ( -8.937 -3.357 8.035) 12.478 5.146 ( 3.899 -6.353 -0.837) 7.501 5.173 ( -1.278 -4.946 0.896) 5.186 5.371 ( 4.622 1.080 1.158) 4.886 5.527 ( 5.060 1.006 -2.875) 5.907 5.752 ( 7.878 2.801 -2.006) 8.598 5.889 ( -0.740 0.670 -3.449) 3.591 5.941 ( -0.555 9.705 5.476) 11.157 6.498 ( -3.943 -7.934 -0.081) 8.860 6.659 ( -5.196 -7.587 2.897) 9.641 6.986 ( 6.856 -3.407 2.116) 7.943 7.383 ( 1.072 -4.564 0.479) 4.712 7.492 ( 0.487 -18.887 -2.731) 19.090 7.561 ( 0.252 -11.387 -7.769) 13.788 8.169 ( 5.406 0.820 4.863) 7.318 8.305 ( -8.310 -8.841 -3.181) 12.543 8.930 ( -3.404 -0.741 14.944) 15.345 9.564 ( 10.118 1.260 3.223) 10.693 9.686 ( -4.274 1.844 -6.211) 7.762 10.113 ( -0.129 -8.833 -6.898) 11.209 10.388 ( 6.505 -2.553 -5.105) 8.654 10.551 ( -12.898 -0.823 2.853) 13.236 10.782 ( -4.242 -8.104 -3.175) 9.683 10.919 ( 9.642 -8.202 -5.277) 13.715 11.126 ( 6.474 -9.717 -0.802) 11.704 11.884 ( 2.486 -21.215 6.260) 22.258 12.230 ( -5.517 -1.119 1.277) 5.773 12.796 ( 3.773 -16.715 -2.231) 17.280 12.872 ( -1.135 -6.238 2.311) 6.748 13.294 ( -5.277 4.221 1.358) 6.892 13.673 ( 2.831 12.267 -1.788) 12.716 13.925 ( 0.714 8.041 -1.100) 8.147 14.642 ( -2.823 12.795 3.210) 13.490 14.906 ( 2.665 13.165 -1.300) 13.494 15.530 ( 0.664 -13.070 0.690) 13.105 15.834 ( 2.564 -0.833 -0.328) 2.716 17.598 ( -3.505 14.122 0.773) 14.571 17.858 ( 3.807 -16.901 6.304) 18.436 18.247 ( -9.477 -1.989 -2.327) 9.959 18.354 ( 2.853 -4.949 -17.848) 18.739 20.431 ( 0.672 1.785 -1.639) 2.515 21.223 ( 4.049 16.103 -2.561) 16.801 23.553 ( -4.822 3.590 5.160) 7.923 23.602 ( 2.057 1.423 6.520) 6.983 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -8.189 -14.344 -0.664) 16.530 2.549 ( 2.743 -2.579 -2.013) 4.270 2.736 ( 4.360 9.365 0.067) 10.331 2.774 ( -7.041 -3.589 -3.010) 8.457 2.861 ( -2.730 1.597 -2.296) 3.908 3.192 ( 3.881 -7.583 3.530) 9.221 3.232 ( 4.367 -1.791 -2.489) 5.336 3.363 ( 5.092 4.321 -5.605) 8.719 3.418 ( -0.000 5.491 0.713) 5.537 3.566 ( -4.002 3.998 0.684) 5.698 3.672 ( -6.247 -4.515 -1.414) 7.837 3.887 ( 0.259 12.224 1.678) 12.341 4.170 ( -3.363 2.628 0.658) 4.318 4.344 ( 3.287 5.235 -5.404) 8.210 4.504 ( -0.219 -9.050 8.356) 12.320 4.888 ( -2.791 -11.006 5.182) 12.481 5.074 ( -7.149 -6.124 5.661) 10.984 5.197 ( 2.654 1.406 0.231) 3.012 5.262 ( -0.227 0.158 7.416) 7.421 5.403 ( 1.695 -0.601 -2.088) 2.756 5.538 ( 4.936 2.353 -3.837) 6.680 5.642 ( -0.187 9.894 1.364) 9.990 5.853 ( 0.320 0.206 -7.708) 7.717 5.879 ( 4.522 0.039 -1.883) 4.898 6.535 ( -6.917 -1.502 0.138) 7.079 6.714 ( -1.198 -1.521 -1.196) 2.276 7.039 ( 5.457 1.218 3.849) 6.788 7.448 ( -0.173 -2.383 2.276) 3.300 7.586 ( 1.189 0.171 -3.628) 3.822 7.867 ( -6.970 -16.368 -1.975) 17.899 8.276 ( 8.271 -3.177 6.477) 10.975 8.429 ( -5.398 -12.219 -2.453) 13.582 8.951 ( -2.500 -0.389 16.865) 17.054 9.611 ( -2.008 2.129 -7.946) 8.468 9.641 ( 10.977 0.010 -1.350) 11.060 10.175 ( -2.421 -1.084 -5.506) 6.112 10.422 ( -7.636 -0.097 -0.685) 7.668 10.512 ( 0.031 -2.895 -4.911) 5.701 10.879 ( -5.827 -9.480 -2.317) 11.366 11.071 ( 12.419 2.167 -7.397) 14.616 11.385 ( 7.187 -15.672 0.738) 17.257 12.175 ( -0.419 -7.394 4.164) 8.496 12.209 ( -3.877 1.135 5.492) 6.818 12.910 ( -2.791 1.242 0.562) 3.107 13.127 ( -6.174 -12.771 2.350) 14.379 13.310 ( 2.397 -15.437 -0.126) 15.623 13.523 ( 5.677 7.362 -3.244) 9.846 13.842 ( 0.224 2.099 1.913) 2.848 14.418 ( -5.641 8.825 1.296) 10.554 14.639 ( 4.840 18.084 0.148) 18.721 15.804 ( 2.703 -16.430 0.472) 16.658 15.936 ( 4.803 -6.310 -0.546) 7.948 17.216 ( -4.089 22.336 -1.922) 22.789 17.609 ( -5.730 28.024 -4.234) 28.915 18.396 ( -1.071 -19.280 0.227) 19.311 18.763 ( 1.318 -23.059 -4.696) 23.569 20.390 ( -0.782 2.065 -2.068) 3.025 20.983 ( 5.319 13.543 -4.837) 15.333 23.481 ( -2.308 2.705 5.119) 6.233 23.615 ( -0.186 -0.523 6.319) 6.343 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.540 -0.905 -2.561) 3.122 2.542 ( 7.208 7.073 0.573) 10.115 2.672 ( 2.875 -0.481 3.259) 4.372 2.737 ( -1.326 -0.239 -6.642) 6.777 2.862 ( -7.112 -6.139 -0.752) 9.425 3.228 ( 0.892 5.783 -5.904) 8.312 3.295 ( -0.806 2.619 1.632) 3.189 3.315 ( -0.538 -2.876 0.462) 2.962 3.404 ( -0.834 -5.865 1.778) 6.185 3.511 ( -1.058 5.140 -3.354) 6.228 3.624 ( -1.837 1.787 1.110) 2.793 3.822 ( 2.955 -4.163 0.755) 5.161 4.089 ( -4.978 2.792 0.591) 5.738 4.291 ( 3.330 1.447 -3.700) 5.184 4.668 ( 2.343 -5.190 7.240) 9.211 5.020 ( 0.334 3.298 7.341) 8.055 5.081 ( 0.144 1.260 2.576) 2.872 5.192 ( -2.030 -1.351 -1.845) 3.058 5.247 ( 0.378 9.072 0.902) 9.124 5.299 ( -1.706 1.010 8.360) 8.592 5.432 ( 0.998 8.006 -5.463) 9.744 5.600 ( 3.462 0.263 0.639) 3.530 5.903 ( 0.900 -6.259 -9.202) 11.166 5.948 ( 2.388 -5.010 -4.064) 6.879 6.475 ( -3.544 2.155 -0.553) 4.185 6.698 ( 0.842 2.491 -1.919) 3.255 7.072 ( 3.223 0.435 6.625) 7.380 7.466 ( -4.473 -0.581 3.532) 5.728 7.567 ( 2.805 1.870 -2.726) 4.335 7.973 ( -7.807 -3.905 -2.898) 9.197 8.389 ( 5.546 -1.036 9.148) 10.748 8.547 ( -3.988 -3.099 -2.230) 5.521 8.984 ( -1.143 -0.427 17.529) 17.572 9.535 ( -2.563 2.593 -8.692) 9.425 9.731 ( 13.286 -0.309 -5.464) 14.369 10.116 ( -2.111 3.862 -1.094) 4.536 10.346 ( -13.653 -2.594 -3.674) 14.375 10.554 ( 7.148 0.967 -7.047) 10.084 10.990 ( 2.595 -1.321 1.240) 3.165 11.063 ( -1.413 -3.145 -10.618) 11.164 11.751 ( 6.650 -15.383 3.969) 17.222 12.080 ( -3.396 11.272 3.532) 12.291 12.182 ( 0.218 4.246 2.679) 5.025 12.847 ( -1.476 3.099 0.501) 3.469 13.194 ( -0.947 -0.122 5.769) 5.848 13.443 ( 2.401 5.013 -1.637) 5.794 13.629 ( -2.707 -6.590 -1.013) 7.196 13.898 ( -0.701 -9.841 3.241) 10.385 14.209 ( -6.432 6.180 -3.299) 9.510 14.535 ( 4.739 -4.772 2.573) 7.201 16.023 ( 1.146 0.113 1.492) 1.885 16.154 ( 3.420 -15.309 -1.625) 15.770 16.821 ( -0.568 16.928 -1.921) 17.046 17.140 ( 2.734 17.341 -5.284) 18.333 18.591 ( 0.113 -0.974 2.785) 2.953 19.067 ( -3.483 -12.380 -6.744) 14.522 20.364 ( -1.422 -1.680 -1.888) 2.900 20.848 ( 5.010 4.163 -5.522) 8.540 23.443 ( -0.533 1.719 4.791) 5.117 23.651 ( -2.693 -3.278 6.790) 8.006 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -18.609 -0.000 10.984) 21.609 2.087 ( -17.288 -0.000 7.074) 18.679 2.559 ( 16.417 0.000 -5.063) 17.180 2.595 ( 7.256 0.000 -1.530) 7.415 2.920 ( 8.445 0.000 -2.841) 8.911 2.958 ( 10.887 0.000 4.173) 11.659 3.392 ( 1.045 0.000 3.052) 3.226 3.537 ( -4.211 -0.000 -5.383) 6.834 3.622 ( -9.246 -0.000 -13.692) 16.522 3.710 ( -6.688 -0.000 7.048) 9.717 3.763 ( -0.546 -0.000 -0.720) 0.904 3.830 ( -1.360 -0.000 2.031) 2.444 4.059 ( 5.554 0.000 0.948) 5.634 4.268 ( 4.257 0.000 -0.112) 4.258 4.386 ( 0.186 0.000 0.920) 0.939 4.937 ( -1.781 -0.000 -6.038) 6.296 5.032 ( -1.675 -0.000 7.346) 7.535 5.040 ( -4.369 -0.000 -6.413) 7.760 5.162 ( -11.705 -0.000 4.968) 12.715 5.248 ( -0.684 -0.000 -4.725) 4.774 5.521 ( 19.358 0.000 2.307) 19.495 5.743 ( 6.999 0.000 1.224) 7.106 5.811 ( 2.799 0.000 3.897) 4.799 5.940 ( -6.750 -0.000 -2.732) 7.282 5.978 ( 2.944 0.000 4.795) 5.627 6.308 ( -9.357 -0.000 13.966) 16.811 6.397 ( -2.748 -0.000 7.789) 8.260 6.941 ( 2.081 0.000 -8.952) 9.191 7.136 ( 5.507 0.000 -7.655) 9.430 7.625 ( 5.319 0.000 -8.465) 9.998 7.994 ( -2.338 -0.000 -3.543) 4.245 8.315 ( -5.270 -0.000 -3.351) 6.246 8.862 ( -6.245 -0.000 13.130) 14.540 9.428 ( 4.743 0.000 -9.977) 11.047 9.904 ( -4.592 -0.000 6.680) 8.106 9.920 ( 8.042 0.000 10.723) 13.404 10.225 ( 3.118 0.000 1.436) 3.433 10.347 ( -0.970 -0.000 -5.044) 5.136 10.455 ( 6.370 0.000 2.159) 6.725 10.668 ( -0.551 -0.000 -0.614) 0.825 10.804 ( -5.178 -0.000 0.002) 5.178 10.978 ( 0.635 0.000 0.311) 0.707 12.207 ( 2.895 0.000 -2.969) 4.147 12.619 ( 2.144 0.000 -5.609) 6.005 12.643 ( -0.497 -0.000 3.717) 3.750 13.491 ( -1.117 -0.000 0.883) 1.423 14.126 ( -3.195 -0.000 3.026) 4.401 14.441 ( 0.576 0.000 -7.720) 7.741 14.993 ( -1.420 -0.000 -0.434) 1.485 15.060 ( 0.957 0.000 0.348) 1.019 15.099 ( 4.069 0.000 0.417) 4.091 16.213 ( -1.605 -0.000 0.801) 1.794 16.726 ( 0.216 0.000 -2.342) 2.352 17.036 ( -0.080 -0.000 1.914) 1.916 18.315 ( -1.811 -0.000 1.056) 2.097 19.153 ( 0.374 0.000 -22.049) 22.052 20.464 ( 0.425 0.000 0.036) 0.427 21.723 ( 2.727 0.000 -0.151) 2.731 23.641 ( 3.967 0.000 7.225) 8.243 23.748 ( -8.521 -0.000 6.596) 10.776 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -19.185 -1.101 8.058) 20.838 2.134 ( -17.882 -12.994 9.527) 24.070 2.588 ( 8.742 2.721 -7.635) 11.922 2.767 ( 10.568 -6.317 2.674) 12.599 2.957 ( 2.069 0.362 -4.494) 4.961 3.056 ( 9.684 -0.451 -2.559) 10.026 3.296 ( -4.689 8.947 -0.857) 10.138 3.412 ( 2.515 3.717 -0.026) 4.488 3.661 ( -3.894 -5.729 -10.034) 12.193 3.724 ( -8.947 -4.593 5.979) 11.700 3.777 ( -1.510 -3.133 3.808) 5.157 3.850 ( 1.907 -1.796 1.223) 2.890 4.100 ( 4.771 0.136 -0.411) 4.790 4.293 ( 8.307 2.232 0.142) 8.602 4.415 ( 1.654 -1.759 0.711) 2.517 4.758 ( -27.241 0.499 -1.972) 27.317 5.000 ( -0.378 2.369 -0.343) 2.423 5.026 ( -4.296 1.438 2.626) 5.237 5.138 ( 0.810 -0.502 4.418) 4.519 5.279 ( -0.335 -4.757 -3.960) 6.199 5.591 ( 2.393 1.511 -2.869) 4.030 5.826 ( 15.378 1.679 -0.244) 15.472 5.883 ( 4.527 0.254 -0.994) 4.641 5.983 ( 0.683 -12.176 2.882) 12.531 6.178 ( 1.194 -13.263 3.386) 13.741 6.336 ( -3.686 -2.194 8.805) 9.794 6.400 ( -3.304 -8.533 11.028) 14.330 6.992 ( 1.841 -5.763 -6.528) 8.900 7.197 ( 6.399 -3.315 -8.360) 11.037 7.599 ( 3.528 3.885 -9.053) 10.464 8.022 ( -5.818 -6.638 -2.298) 9.122 8.259 ( -2.547 1.875 -0.027) 3.163 8.868 ( -4.422 -2.376 12.455) 13.429 9.503 ( 2.672 -6.685 -9.176) 11.663 9.843 ( 1.592 7.760 7.075) 10.622 9.910 ( 3.385 2.917 6.542) 7.922 10.313 ( 5.840 -0.866 -5.246) 7.898 10.400 ( 1.458 -9.468 -3.317) 10.138 10.574 ( -5.744 -3.477 1.272) 6.834 10.710 ( 2.211 -6.514 0.283) 6.885 10.751 ( 4.748 -0.620 0.583) 4.824 11.153 ( 0.866 -16.138 2.116) 16.299 12.219 ( 0.694 -0.237 -3.901) 3.969 12.597 ( 0.225 1.049 -4.477) 4.603 12.672 ( -1.842 -3.421 3.409) 5.169 13.453 ( -2.484 3.017 1.065) 4.050 14.037 ( -3.754 7.207 2.514) 8.506 14.326 ( 2.265 10.671 -6.488) 12.692 14.979 ( -3.806 1.690 1.271) 4.354 15.092 ( 6.378 3.361 -0.538) 7.230 15.151 ( 0.275 -8.152 -0.325) 8.163 16.070 ( -1.034 10.987 0.438) 11.045 16.943 ( 0.393 -20.730 -1.654) 20.800 17.218 ( 1.484 -18.900 2.611) 19.138 18.224 ( -6.890 6.346 0.935) 9.413 18.984 ( -4.703 11.611 -20.577) 24.091 20.475 ( 3.309 0.638 -0.229) 3.377 21.678 ( 3.287 7.610 -1.025) 8.353 23.637 ( -5.492 1.712 4.251) 7.153 23.717 ( 3.447 2.678 9.695) 10.632 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -15.857 -9.204 6.413) 19.424 2.274 ( -14.621 -14.375 6.363) 21.469 2.597 ( 5.172 0.044 -9.374) 10.706 2.917 ( -0.953 -0.147 -6.308) 6.382 2.945 ( 4.128 -3.414 4.355) 6.904 3.047 ( 2.037 6.021 -2.675) 6.897 3.228 ( 8.067 -0.631 -3.398) 8.776 3.379 ( 0.799 1.001 3.460) 3.689 3.628 ( -3.478 2.936 -11.336) 12.216 3.702 ( -5.610 2.007 3.323) 6.822 3.770 ( -2.906 3.971 1.996) 5.310 4.016 ( 1.113 -11.821 10.240) 15.679 4.115 ( 3.909 2.476 0.400) 4.644 4.362 ( 6.219 -3.045 -0.799) 6.971 4.451 ( 2.608 1.022 -0.332) 2.821 4.552 ( -23.331 -2.728 1.705) 23.552 4.959 ( -7.128 0.120 0.843) 7.179 5.000 ( -1.140 -3.918 2.111) 4.594 5.170 ( 1.554 -1.044 1.300) 2.279 5.364 ( 1.804 -4.341 -1.787) 5.029 5.567 ( -0.159 0.075 -4.285) 4.289 5.882 ( 7.945 3.237 -1.485) 8.707 5.908 ( 6.593 2.482 -1.629) 7.231 6.107 ( -1.464 4.466 10.106) 11.145 6.296 ( -1.778 -8.441 -1.851) 8.822 6.460 ( -4.018 -11.966 2.667) 12.901 6.796 ( 5.142 -24.850 9.720) 27.174 7.137 ( 0.370 -11.340 -5.174) 12.470 7.308 ( 6.236 -5.093 -4.726) 9.336 7.539 ( 2.829 2.300 -10.002) 10.646 8.084 ( -9.849 -7.381 -1.470) 12.395 8.231 ( 2.480 0.893 4.093) 4.869 8.921 ( -1.386 -2.413 12.761) 13.061 9.595 ( -1.240 -3.571 -8.751) 9.532 9.755 ( 7.854 6.813 6.047) 12.028 9.965 ( 1.310 -5.908 0.706) 6.093 10.370 ( 5.743 -2.409 -7.270) 9.572 10.466 ( -10.370 0.404 -1.314) 10.461 10.630 ( 1.279 -7.053 -0.959) 7.232 10.771 ( 0.654 -9.018 -2.699) 9.436 11.014 ( 10.480 -11.491 1.670) 15.642 11.509 ( 0.566 -22.256 1.938) 22.347 12.195 ( -3.189 1.122 -1.743) 3.804 12.633 ( 3.387 -6.213 -3.985) 8.121 12.752 ( -1.871 -6.469 3.105) 7.416 13.345 ( -5.998 5.845 1.315) 8.478 13.859 ( -2.338 9.535 1.150) 9.885 14.135 ( 5.115 12.059 -3.516) 13.563 14.832 ( -3.946 10.823 2.040) 11.699 15.091 ( 4.981 3.795 -0.599) 6.290 15.325 ( 1.082 -10.744 0.399) 10.806 15.900 ( 0.572 6.691 -0.396) 6.727 17.360 ( -1.732 -25.098 -2.209) 25.254 17.661 ( 4.564 -22.625 8.181) 24.487 18.024 ( -9.570 4.892 -2.324) 10.996 18.598 ( -8.024 20.022 -19.469) 29.057 20.481 ( 3.863 2.210 -0.715) 4.507 21.514 ( 3.783 13.392 -2.127) 14.078 23.560 ( -6.164 2.028 3.595) 7.419 23.714 ( 5.464 4.665 9.944) 12.268 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -11.360 -14.635 4.817) 19.143 2.401 ( -13.220 -11.502 2.778) 17.742 2.625 ( 1.548 -2.201 -9.068) 9.459 2.883 ( -1.023 1.217 -6.045) 6.250 2.922 ( 3.238 6.199 0.966) 7.060 3.104 ( 5.729 -5.697 2.310) 8.403 3.286 ( 8.497 1.360 -3.759) 9.390 3.438 ( 2.256 -1.558 1.821) 3.292 3.489 ( -9.460 0.881 -8.919) 13.031 3.581 ( -2.620 7.800 5.091) 9.676 3.654 ( -1.612 5.224 0.142) 5.469 4.046 ( 0.024 6.669 0.867) 6.725 4.231 ( 2.370 -0.073 4.431) 5.026 4.321 ( -12.197 -5.701 7.023) 15.185 4.446 ( 4.926 3.043 -3.619) 6.828 4.646 ( -0.817 -13.668 4.149) 14.307 4.924 ( -8.990 -3.282 2.448) 9.879 5.126 ( -2.295 -9.771 0.104) 10.037 5.208 ( 1.112 -2.012 -1.188) 2.588 5.443 ( 3.864 -2.151 -0.206) 4.427 5.572 ( 2.724 -0.252 -2.441) 3.666 5.812 ( -0.452 7.950 -0.567) 7.983 5.871 ( 1.501 4.255 -3.650) 5.804 6.003 ( 3.346 7.483 5.670) 9.968 6.410 ( -4.343 -6.431 -3.119) 8.364 6.613 ( -3.119 -7.604 1.433) 8.343 7.114 ( 6.748 -2.197 5.218) 8.808 7.405 ( 0.776 -5.923 -0.805) 6.028 7.449 ( -2.866 -20.068 -1.606) 20.335 7.559 ( 3.846 -4.018 -6.735) 8.735 8.158 ( -6.675 -11.206 -2.171) 13.223 8.294 ( 5.266 -2.690 6.773) 8.992 8.974 ( -0.038 -0.662 15.318) 15.332 9.574 ( -3.135 0.532 -9.026) 9.570 9.766 ( 10.844 1.798 1.832) 11.144 10.086 ( -0.044 -6.006 -3.300) 6.853 10.319 ( -15.453 2.242 0.234) 15.616 10.477 ( 6.473 -4.653 -10.667) 13.317 10.694 ( -3.400 -4.380 -0.434) 5.562 11.062 ( 9.204 -15.302 -0.933) 17.881 11.253 ( 9.646 -6.442 -1.747) 11.730 11.904 ( -2.338 -20.182 -1.320) 20.359 12.170 ( -3.109 -2.983 6.993) 8.214 12.837 ( 2.944 -12.999 -3.554) 13.794 12.867 ( -1.524 -5.221 2.625) 6.039 13.193 ( -7.141 1.534 0.748) 7.342 13.696 ( 0.653 8.233 -1.371) 8.372 13.985 ( 7.125 10.014 0.418) 12.297 14.583 ( -4.538 13.231 1.728) 14.094 14.977 ( 4.257 13.894 1.052) 14.570 15.554 ( 2.625 -13.939 0.039) 14.184 15.885 ( 4.059 -3.308 -1.022) 5.335 17.463 ( -12.023 10.966 -3.152) 16.576 17.910 ( -10.621 5.090 9.584) 15.184 18.041 ( -5.241 -10.019 -3.577) 11.859 18.387 ( 10.589 -18.384 -16.143) 26.659 20.447 ( 2.103 4.160 -0.981) 4.764 21.276 ( 3.987 15.746 -3.919) 16.708 23.496 ( -4.570 1.275 3.925) 6.158 23.687 ( 3.778 4.800 8.890) 10.787 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -7.336 -16.326 2.605) 18.087 2.500 ( -11.915 -10.849 2.012) 16.240 2.658 ( 0.680 -2.585 -6.234) 6.783 2.809 ( 1.080 4.710 -3.382) 5.899 2.864 ( 6.932 6.107 0.053) 9.238 3.247 ( 0.954 -4.215 0.259) 4.329 3.296 ( -8.021 2.334 -6.794) 10.767 3.315 ( 6.096 1.889 -1.861) 6.648 3.421 ( 0.071 6.545 0.848) 6.600 3.517 ( 0.176 1.097 1.687) 2.020 3.679 ( 3.908 -3.133 2.183) 5.464 3.881 ( -1.317 8.686 0.828) 8.825 4.129 ( -1.095 5.319 -1.331) 5.591 4.350 ( 0.071 3.178 -2.682) 4.159 4.536 ( -0.971 -10.566 8.226) 13.426 4.884 ( -4.517 -10.261 7.799) 13.657 4.959 ( -6.332 -9.458 -0.061) 11.382 5.221 ( 0.909 -0.263 -3.033) 3.177 5.247 ( -3.383 -3.425 3.269) 5.819 5.462 ( 4.212 6.942 3.283) 8.759 5.603 ( 1.364 -1.957 -2.562) 3.501 5.643 ( 3.401 10.583 -2.079) 11.309 5.815 ( -1.715 -1.083 -4.507) 4.942 5.933 ( 2.389 3.449 -0.197) 4.200 6.441 ( -3.102 -2.189 -3.403) 5.098 6.687 ( -1.768 -3.152 -0.438) 3.641 7.149 ( 4.719 2.617 5.694) 7.844 7.441 ( -0.821 -0.543 -0.640) 1.174 7.574 ( -2.035 -1.909 -0.843) 2.915 7.776 ( -1.289 -12.011 -2.579) 12.352 8.337 ( -4.906 -10.925 4.307) 12.727 8.434 ( 7.024 -5.738 2.655) 9.451 9.024 ( 1.385 -0.499 17.165) 17.228 9.504 ( -5.046 1.341 -9.273) 10.642 9.853 ( 14.262 0.001 -2.739) 14.522 10.139 ( -2.181 1.404 -0.158) 2.599 10.161 ( -13.953 -2.361 -5.001) 15.009 10.581 ( 5.644 -3.596 -10.875) 12.769 10.764 ( -6.022 -7.932 0.597) 9.977 11.232 ( 11.107 5.582 -6.258) 13.917 11.528 ( 9.391 -17.293 2.057) 19.785 12.092 ( -7.113 -8.410 0.495) 11.025 12.240 ( -0.561 2.938 7.842) 8.393 12.830 ( -7.589 0.398 1.196) 7.693 13.074 ( -1.548 -13.099 3.081) 13.545 13.354 ( 2.844 -16.617 -1.403) 16.916 13.571 ( 2.212 6.201 -3.474) 7.444 13.898 ( 6.252 6.432 2.823) 9.404 14.334 ( -4.718 10.695 -0.202) 11.691 14.712 ( 2.857 17.177 2.277) 17.561 15.862 ( 4.719 -17.499 -0.934) 18.149 16.029 ( 6.621 -5.822 0.310) 8.822 17.083 ( -10.627 17.103 -3.509) 20.439 17.422 ( -15.010 20.421 -3.891) 25.640 18.421 ( 2.183 -18.712 3.820) 19.223 18.800 ( 8.001 -16.984 -8.120) 20.455 20.376 ( 0.079 3.875 -0.948) 3.990 21.032 ( 3.323 13.232 -5.976) 14.895 23.461 ( -2.899 0.408 4.506) 5.373 23.655 ( 1.138 2.955 7.567) 8.202 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -23.503 -0.000 11.629) 26.223 1.830 ( -20.129 -0.000 13.069) 24.000 2.656 ( -1.004 -0.000 -0.883) 1.337 2.783 ( 12.628 0.000 -5.386) 13.728 2.971 ( 2.644 0.000 -8.314) 8.724 3.148 ( 10.523 0.000 1.079) 10.578 3.378 ( -8.119 -0.000 -0.122) 8.120 3.433 ( -6.128 -0.000 -11.175) 12.744 3.479 ( 3.109 0.000 1.186) 3.328 3.605 ( -9.575 -0.000 7.363) 12.079 3.791 ( 3.762 0.000 1.886) 4.208 3.863 ( 2.798 0.000 1.463) 3.158 4.124 ( 3.603 0.000 -2.488) 4.379 4.415 ( 5.653 0.000 0.044) 5.653 4.418 ( 3.410 0.000 0.773) 3.496 4.544 ( -21.251 -0.000 2.893) 21.447 4.990 ( -6.785 -0.000 -1.841) 7.031 5.019 ( -4.005 -0.000 7.285) 8.313 5.174 ( 4.278 0.000 0.030) 4.279 5.196 ( -3.098 -0.000 -4.191) 5.212 5.564 ( -5.929 -0.000 -6.625) 8.891 5.842 ( 0.079 0.000 1.842) 1.843 5.934 ( 8.883 0.000 -2.938) 9.357 6.009 ( -2.078 -0.000 -0.532) 2.145 6.051 ( 19.622 0.000 1.192) 19.658 6.288 ( -0.216 -0.000 15.066) 15.067 6.387 ( -2.359 -0.000 8.075) 8.413 6.949 ( 2.081 0.000 -3.677) 4.225 7.201 ( 7.415 0.000 -9.367) 11.947 7.640 ( 2.544 0.000 -10.343) 10.651 7.897 ( -8.121 -0.000 -0.703) 8.151 8.260 ( -1.176 -0.000 2.355) 2.633 8.828 ( -4.469 -0.000 9.980) 10.935 9.438 ( 2.568 0.000 -7.985) 8.387 9.873 ( -1.380 -0.000 4.568) 4.772 10.139 ( 13.189 0.000 6.671) 14.780 10.304 ( 4.454 0.000 1.849) 4.822 10.309 ( -0.781 -0.000 -6.457) 6.504 10.501 ( -1.465 -0.000 -3.478) 3.774 10.679 ( 2.537 0.000 -0.111) 2.540 10.835 ( 8.276 0.000 5.302) 9.829 10.967 ( -1.712 -0.000 -0.209) 1.724 12.206 ( -0.987 -0.000 -6.456) 6.531 12.581 ( -3.672 -0.000 -6.169) 7.180 12.627 ( -3.377 -0.000 3.338) 4.749 13.463 ( -3.178 -0.000 1.903) 3.704 14.078 ( -4.484 -0.000 3.425) 5.643 14.436 ( 2.716 0.000 -6.869) 7.386 14.946 ( -4.461 -0.000 0.522) 4.492 15.084 ( 2.151 0.000 -0.283) 2.170 15.177 ( 5.982 0.000 -1.539) 6.177 16.182 ( -2.934 -0.000 1.525) 3.306 16.740 ( 2.686 0.000 -1.955) 3.322 17.045 ( 0.182 0.000 1.544) 1.554 18.209 ( -11.953 -0.000 3.136) 12.357 18.982 ( -9.778 -0.000 -20.850) 23.028 20.521 ( 6.387 0.000 -0.283) 6.393 21.771 ( 3.752 0.000 -1.761) 4.145 23.607 ( -7.290 -0.000 3.281) 7.994 23.821 ( 8.616 0.000 12.136) 14.884 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -19.752 -3.770 12.776) 23.824 1.874 ( -20.394 -15.312 12.119) 28.235 2.607 ( -5.907 0.024 -3.917) 7.088 2.876 ( 1.786 -1.777 -8.065) 8.450 2.954 ( 4.425 0.681 -2.945) 5.359 3.157 ( 2.743 5.172 -4.772) 7.553 3.266 ( 2.282 2.118 1.626) 3.513 3.466 ( 3.964 3.530 -0.184) 5.311 3.481 ( -9.229 -6.422 -7.173) 13.337 3.654 ( -5.488 -8.255 6.820) 12.032 3.814 ( 2.435 2.499 3.246) 4.765 3.905 ( 2.087 -2.859 4.011) 5.349 4.153 ( 4.099 -0.643 -3.437) 5.388 4.319 ( -18.930 -1.913 1.008) 19.053 4.468 ( 4.112 -0.174 0.997) 4.234 4.479 ( 7.118 4.912 4.277) 9.648 4.906 ( -7.133 1.518 -2.733) 7.788 4.996 ( -2.337 1.633 4.745) 5.536 5.167 ( -0.190 -0.060 -2.307) 2.316 5.255 ( -2.080 -7.039 -2.894) 7.890 5.519 ( -2.586 -1.248 -3.332) 4.398 5.931 ( -2.412 -3.220 2.214) 4.592 5.993 ( 5.856 -3.624 -3.380) 7.671 6.034 ( 1.329 -3.917 -2.629) 4.901 6.230 ( 5.371 -6.674 0.780) 8.602 6.345 ( 1.691 5.206 4.813) 7.289 6.479 ( 6.122 -15.906 13.307) 21.623 7.003 ( 1.281 -5.118 -1.028) 5.375 7.276 ( 7.976 -3.707 -7.775) 11.740 7.596 ( 2.516 3.868 -10.543) 11.509 7.884 ( -9.984 -5.760 0.840) 11.557 8.264 ( 1.226 0.237 5.254) 5.400 8.867 ( -1.537 -4.689 7.976) 9.379 9.488 ( 1.565 -4.457 -8.228) 9.488 9.887 ( 2.187 -1.082 2.791) 3.707 10.056 ( 7.585 12.786 7.957) 16.862 10.335 ( -0.943 -4.807 -7.536) 8.988 10.415 ( 0.195 2.757 -5.455) 6.115 10.512 ( 2.406 -8.468 -0.107) 8.804 10.699 ( 1.057 0.304 -0.916) 1.431 10.937 ( 10.454 -6.305 4.702) 13.082 11.158 ( -0.103 -16.747 0.036) 16.748 12.180 ( -2.577 -0.354 -6.270) 6.788 12.546 ( -3.828 -3.284 -7.748) 9.245 12.640 ( -3.780 -4.051 3.058) 6.329 13.398 ( -5.437 4.498 2.800) 7.592 13.987 ( -3.874 6.657 3.205) 8.342 14.360 ( 5.481 8.767 -4.093) 11.120 14.928 ( -4.003 0.689 1.919) 4.492 15.109 ( -0.920 0.022 -3.649) 3.763 15.231 ( 7.870 -3.333 0.886) 8.592 16.050 ( -1.933 9.637 0.647) 9.850 16.951 ( 1.385 -18.871 -1.281) 18.965 17.264 ( 3.095 -22.189 0.865) 22.421 18.056 ( -14.452 5.917 4.326) 16.204 18.739 ( -14.426 10.768 -19.989) 26.900 20.562 ( 7.231 1.846 -0.639) 7.490 21.727 ( 3.707 7.706 -2.590) 8.935 23.546 ( -6.397 1.182 2.876) 7.113 23.887 ( 9.972 4.639 13.032) 17.053 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -14.014 -11.894 11.837) 21.862 2.025 ( -20.108 -15.828 7.014) 26.534 2.586 ( -2.771 -3.379 -8.294) 9.375 2.863 ( 1.527 -0.762 -8.415) 8.586 2.997 ( -0.515 -0.105 2.091) 2.156 3.101 ( 3.035 -0.003 1.618) 3.439 3.303 ( 2.447 -2.318 -5.747) 6.662 3.398 ( -7.275 0.884 2.953) 7.901 3.468 ( 2.639 3.174 -6.736) 7.900 3.707 ( 0.392 2.436 2.857) 3.775 3.743 ( -1.236 6.595 1.184) 6.813 4.017 ( -9.804 -10.581 10.493) 17.838 4.166 ( 3.248 3.486 -2.781) 5.517 4.267 ( -5.409 -2.149 4.754) 7.515 4.493 ( 4.659 -3.580 2.909) 6.556 4.526 ( 6.042 0.071 -1.713) 6.280 4.837 ( -6.973 -0.371 -3.140) 7.656 4.978 ( -2.716 -3.103 0.196) 4.128 5.165 ( -1.398 -1.228 -1.684) 2.509 5.355 ( -2.369 -7.291 -5.616) 9.503 5.563 ( 2.783 -2.693 3.430) 5.173 5.886 ( -4.538 3.439 0.679) 5.734 6.011 ( 5.189 6.263 -3.822) 8.987 6.113 ( -2.938 -1.052 6.670) 7.363 6.306 ( 2.620 -0.555 -5.174) 5.826 6.406 ( -2.228 -11.377 -0.212) 11.595 6.937 ( 6.492 -23.890 9.653) 26.572 7.135 ( 0.811 -8.372 0.489) 8.425 7.409 ( 8.218 -3.791 -2.654) 9.431 7.527 ( 2.225 1.445 -10.262) 10.599 7.927 ( -9.183 -7.940 0.945) 12.176 8.308 ( 3.924 -1.575 7.061) 8.231 8.971 ( 1.227 -4.010 8.734) 9.689 9.530 ( -0.426 -1.600 -10.240) 10.373 9.906 ( 2.504 8.248 7.398) 11.359 9.986 ( 1.825 -5.050 -0.125) 5.371 10.295 ( -6.638 4.288 -1.114) 7.981 10.390 ( -0.089 -3.514 -11.859) 12.369 10.674 ( 5.114 -0.368 -1.090) 5.242 10.805 ( 4.554 -16.736 0.133) 17.345 11.187 ( 9.283 -10.302 2.180) 14.038 11.492 ( -1.810 -21.953 -4.112) 22.408 12.141 ( -2.444 0.893 0.498) 2.650 12.660 ( 3.046 -11.581 -8.573) 14.727 12.726 ( -2.974 -7.931 2.911) 8.957 13.226 ( -9.878 8.433 2.944) 13.318 13.832 ( -1.772 8.168 1.406) 8.476 14.245 ( 9.943 10.451 0.279) 14.428 14.791 ( -2.199 12.074 1.810) 12.405 15.105 ( -2.460 -1.477 -1.547) 3.260 15.401 ( 7.664 -7.238 1.347) 10.628 15.900 ( -0.290 4.281 -1.127) 4.436 17.300 ( -4.763 -16.952 -1.751) 17.695 17.751 ( -2.604 -22.992 -3.003) 23.334 17.848 ( -8.103 2.888 10.932) 13.911 18.356 ( -8.250 10.618 -21.630) 25.469 20.557 ( 5.686 4.640 -0.745) 7.377 21.556 ( 2.691 13.471 -3.539) 14.186 23.486 ( -5.029 1.108 2.961) 5.940 23.872 ( 7.788 8.138 12.371) 16.731 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -9.166 -16.368 8.841) 20.739 2.139 ( -19.416 -14.966 5.332) 25.088 2.618 ( 1.230 -2.977 -8.401) 8.997 2.862 ( 2.046 2.138 -6.379) 7.032 2.994 ( 4.759 1.964 1.623) 5.398 3.189 ( 0.972 -5.266 -3.310) 6.295 3.225 ( -8.008 2.236 -6.608) 10.620 3.421 ( 6.801 4.291 -4.122) 9.037 3.503 ( 3.041 -7.726 6.304) 10.425 3.598 ( -0.216 6.698 4.414) 8.024 3.632 ( -0.321 4.403 0.931) 4.512 4.026 ( -4.549 6.926 1.225) 8.376 4.151 ( -7.861 -5.051 4.180) 10.237 4.295 ( 1.071 -1.781 6.310) 6.643 4.510 ( 3.975 4.496 -3.452) 6.924 4.690 ( 2.603 -12.062 1.418) 12.421 4.787 ( -7.629 -1.905 -0.024) 7.863 5.079 ( -3.175 -9.625 -2.645) 10.474 5.190 ( -2.239 -3.269 -1.164) 4.130 5.451 ( -1.045 -6.876 -7.486) 10.218 5.625 ( 2.128 1.154 7.175) 7.572 5.778 ( -2.201 4.084 -0.330) 4.652 5.882 ( 0.344 9.229 -0.672) 9.260 6.060 ( 1.798 6.296 2.795) 7.120 6.349 ( -0.906 -4.151 -7.383) 8.518 6.559 ( -3.730 -8.614 -0.272) 9.391 7.230 ( 3.395 -0.447 7.273) 8.039 7.357 ( -3.753 -13.730 0.080) 14.234 7.451 ( 2.302 -2.590 -3.211) 4.724 7.631 ( 7.412 -7.279 -0.913) 10.429 8.061 ( -4.809 -14.126 0.339) 14.926 8.417 ( 6.235 -4.135 7.003) 10.247 9.050 ( 0.667 -1.558 12.914) 13.025 9.486 ( -2.674 2.563 -9.490) 10.187 9.836 ( -7.841 -2.895 -1.059) 8.425 10.085 ( 3.301 -2.903 -0.908) 4.489 10.184 ( 2.279 5.196 -0.277) 5.681 10.436 ( -3.129 -6.867 -13.739) 15.675 10.712 ( 3.796 -0.381 0.807) 3.899 11.207 ( 9.008 -19.239 1.012) 21.267 11.402 ( 9.778 -4.717 -2.076) 11.053 11.805 ( -6.815 -16.105 -5.546) 18.346 12.199 ( 1.047 -8.119 10.152) 13.041 12.806 ( -7.638 3.293 0.750) 8.351 12.872 ( 2.833 -10.076 -1.139) 10.529 13.097 ( -4.040 -10.318 -2.266) 11.310 13.689 ( -0.368 7.133 -1.806) 7.367 14.152 ( 12.544 10.956 3.612) 17.042 14.528 ( -3.333 14.610 1.237) 15.037 15.021 ( 0.415 11.884 1.872) 12.037 15.617 ( 5.078 -12.820 -0.609) 13.802 15.951 ( 4.868 -7.838 -1.428) 9.336 17.219 ( -15.515 11.042 -3.362) 19.337 17.573 ( -26.608 15.327 -0.080) 30.706 18.072 ( 2.055 -21.320 2.168) 21.529 18.555 ( 18.579 -20.666 -13.302) 30.809 20.486 ( 3.107 6.932 -0.418) 7.608 21.299 ( 0.925 15.745 -4.960) 16.534 23.445 ( -3.815 0.213 3.409) 5.121 23.797 ( 4.187 8.219 10.619) 14.065 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -23.151 -0.000 14.786) 27.470 1.578 ( -20.420 -0.000 18.498) 27.553 2.478 ( -21.166 -0.000 2.443) 21.307 2.851 ( 0.010 0.000 -12.353) 12.353 3.007 ( 7.146 0.000 -9.872) 12.187 3.210 ( -14.129 -0.000 1.724) 14.233 3.295 ( 10.085 0.000 -6.235) 11.856 3.368 ( 1.041 0.000 -0.187) 1.058 3.481 ( -6.346 -0.000 5.413) 8.341 3.555 ( 2.724 0.000 3.520) 4.451 3.897 ( 0.023 0.000 -0.609) 0.609 3.898 ( 7.347 0.000 5.483) 9.167 4.171 ( -7.767 -0.000 -1.630) 7.936 4.182 ( 0.864 0.000 -0.290) 0.911 4.501 ( 6.449 0.000 0.839) 6.503 4.584 ( -2.598 -0.000 6.026) 6.562 4.943 ( 4.691 0.000 -5.370) 7.130 4.978 ( -4.979 -0.000 7.182) 8.738 5.114 ( -4.969 -0.000 -3.279) 5.954 5.145 ( -3.642 -0.000 -9.007) 9.716 5.506 ( 1.838 0.000 1.737) 2.529 5.838 ( -1.284 -0.000 -0.307) 1.320 5.915 ( -5.966 -0.000 -6.935) 9.148 6.015 ( 1.570 0.000 -0.444) 1.631 6.276 ( 6.315 0.000 -1.086) 6.408 6.414 ( 5.830 0.000 14.509) 15.636 6.452 ( 8.063 0.000 3.628) 8.841 6.962 ( -0.010 -0.000 1.773) 1.773 7.282 ( 7.282 0.000 -7.052) 10.137 7.642 ( 4.578 0.000 -10.799) 11.729 7.752 ( -9.905 -0.000 2.591) 10.238 8.292 ( 2.088 0.000 7.441) 7.728 8.814 ( -1.223 -0.000 3.998) 4.181 9.453 ( 3.464 0.000 -6.771) 7.605 9.892 ( 1.242 0.000 2.937) 3.189 10.253 ( -2.146 -0.000 -6.858) 7.186 10.355 ( 0.552 0.000 2.370) 2.434 10.374 ( 9.491 0.000 0.770) 9.522 10.446 ( 3.079 0.000 -8.433) 8.978 10.737 ( 2.808 0.000 0.518) 2.855 10.943 ( 0.343 0.000 -1.032) 1.088 11.037 ( 10.811 0.000 7.315) 13.053 12.094 ( -9.731 -0.000 -12.582) 15.907 12.428 ( -10.276 -0.000 -9.850) 14.234 12.577 ( -4.341 -0.000 3.009) 5.282 13.410 ( -5.195 -0.000 4.502) 6.874 14.024 ( -4.255 -0.000 4.200) 5.979 14.484 ( 7.308 0.000 -2.388) 7.688 14.855 ( -7.074 -0.000 0.658) 7.105 15.129 ( 3.528 0.000 -0.127) 3.530 15.275 ( 7.742 0.000 -3.365) 8.442 16.134 ( -4.064 -0.000 1.597) 4.366 16.787 ( 3.849 0.000 -1.584) 4.162 17.055 ( 0.359 0.000 1.220) 1.272 17.999 ( -15.880 -0.000 7.179) 17.428 18.647 ( -20.925 -0.000 -19.275) 28.449 20.643 ( 8.592 0.000 -0.953) 8.644 21.819 ( 3.431 0.000 -3.831) 5.143 23.513 ( -5.995 -0.000 2.459) 6.480 24.069 ( 14.944 0.000 14.580) 20.878 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -16.866 -8.036 17.884) 25.862 1.598 ( -21.878 -14.294 13.373) 29.357 2.371 ( -19.787 -8.160 4.249) 21.821 2.812 ( -4.366 -1.554 -11.665) 12.552 3.026 ( 6.805 0.748 -6.589) 9.502 3.065 ( -14.064 1.282 0.608) 14.136 3.327 ( 2.171 2.937 0.176) 3.657 3.385 ( 4.358 1.079 -4.253) 6.184 3.536 ( 4.321 -2.701 -2.083) 5.505 3.620 ( -2.330 -6.458 6.404) 9.388 3.849 ( -0.404 4.141 -0.278) 4.170 3.933 ( 1.683 2.457 4.239) 5.181 4.181 ( -0.999 -5.172 4.409) 6.869 4.207 ( 3.814 0.068 -2.357) 4.484 4.524 ( -3.389 1.726 4.888) 6.193 4.571 ( 6.329 -0.176 1.082) 6.423 4.799 ( -4.075 5.422 -6.383) 9.313 4.980 ( -1.318 3.172 -0.482) 3.468 5.129 ( -4.211 -3.835 -5.127) 7.663 5.175 ( -0.460 -5.450 -4.086) 6.827 5.557 ( 4.857 -2.276 6.551) 8.467 5.852 ( -6.906 -2.384 -1.297) 7.420 5.982 ( -2.205 -10.530 -5.107) 11.909 6.033 ( -0.415 -2.812 -0.820) 2.958 6.260 ( -0.216 3.338 -3.389) 4.762 6.446 ( 5.840 4.656 2.687) 7.938 6.665 ( 8.780 -15.113 10.268) 20.271 7.021 ( 0.445 -5.815 4.203) 7.189 7.373 ( 7.382 -5.239 -4.277) 10.012 7.606 ( 4.470 5.442 -9.579) 11.889 7.736 ( -9.374 -5.598 3.689) 11.525 8.337 ( 3.849 -0.578 8.633) 9.469 8.890 ( 1.755 -6.876 1.200) 7.197 9.483 ( 2.004 -1.559 -7.961) 8.356 9.937 ( 2.270 -2.902 1.643) 4.034 10.136 ( -4.340 14.396 2.784) 15.291 10.283 ( 1.075 -1.783 -3.036) 3.681 10.357 ( -1.813 3.075 -7.687) 8.476 10.607 ( 7.693 -8.760 -2.838) 11.999 10.739 ( 3.384 1.893 -0.098) 3.879 11.025 ( -1.432 -11.213 -3.260) 11.765 11.204 ( 5.234 -9.359 0.893) 10.760 12.085 ( -5.481 -8.124 -7.687) 12.455 12.395 ( -7.709 -9.556 -10.662) 16.261 12.595 ( -3.124 -4.877 2.767) 6.419 13.311 ( -7.627 7.068 5.323) 11.682 13.946 ( -3.214 5.747 2.953) 7.217 14.493 ( 12.761 6.983 2.808) 14.815 14.855 ( -6.050 -4.402 1.483) 7.628 15.090 ( 0.892 6.999 -3.441) 7.850 15.366 ( 8.578 -4.886 0.359) 9.878 16.010 ( -3.476 8.296 0.503) 9.009 16.973 ( 1.816 -15.877 -0.746) 15.998 17.307 ( 2.041 -23.653 -3.962) 24.069 17.858 ( -12.559 3.713 10.484) 16.776 18.349 ( -23.081 6.778 -17.714) 29.874 20.681 ( 7.714 3.153 -0.991) 8.392 21.758 ( 1.754 8.072 -4.754) 9.531 23.467 ( -4.975 0.634 2.420) 5.569 24.147 ( 14.547 8.910 14.237) 22.219 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -11.943 -13.791 15.475) 23.923 1.718 ( -20.907 -16.147 10.231) 28.329 2.475 ( -4.751 -11.195 -6.735) 13.902 2.847 ( -1.034 -6.274 -5.295) 8.275 2.963 ( -11.986 -4.401 7.019) 14.570 3.074 ( 2.070 -2.260 -7.936) 8.507 3.251 ( 0.498 4.796 -1.930) 5.194 3.405 ( 5.140 -1.339 0.838) 5.377 3.554 ( 5.477 4.309 -4.656) 8.381 3.691 ( -2.967 -0.139 1.716) 3.430 3.758 ( 0.708 6.029 4.118) 7.335 3.922 ( -2.614 -1.476 5.168) 5.977 4.182 ( -0.174 4.286 -1.928) 4.703 4.286 ( -1.048 -3.354 8.770) 9.447 4.536 ( 0.222 -5.770 2.489) 6.287 4.626 ( 7.012 2.979 -2.619) 8.056 4.720 ( -4.767 -2.849 -7.938) 9.688 4.924 ( -1.394 -0.493 -5.078) 5.289 5.128 ( -2.821 -0.902 -0.040) 2.962 5.270 ( -3.429 -8.499 -6.177) 11.052 5.658 ( 3.387 -1.715 7.349) 8.272 5.803 ( -4.689 1.638 2.150) 5.413 6.019 ( -3.111 5.336 0.623) 6.208 6.099 ( 0.294 -3.975 -1.826) 4.384 6.254 ( -2.967 -5.852 -8.358) 10.625 6.418 ( 2.083 0.165 -1.266) 2.443 7.051 ( 2.221 -18.021 4.802) 18.781 7.185 ( 3.355 -8.854 9.539) 13.440 7.500 ( 2.578 5.207 -5.530) 8.021 7.558 ( 7.091 -7.976 -1.219) 10.742 7.808 ( -6.228 -9.460 1.589) 11.437 8.423 ( 6.097 -2.612 8.183) 10.534 9.026 ( 1.423 -4.766 3.992) 6.378 9.482 ( -0.465 0.081 -9.705) 9.716 9.784 ( -15.487 9.985 2.438) 18.587 10.045 ( 2.112 -3.888 -1.294) 4.610 10.300 ( 6.807 1.929 -0.502) 7.093 10.310 ( -2.380 -0.965 -9.985) 10.310 10.750 ( 4.154 0.544 -0.910) 4.287 10.911 ( 7.837 -19.431 0.232) 20.953 11.296 ( 2.096 -16.868 0.604) 17.009 11.443 ( 0.673 -15.571 -6.957) 17.068 12.136 ( 1.077 -1.756 2.424) 3.181 12.627 ( -1.205 -19.648 -10.639) 22.376 12.709 ( 0.003 -9.122 0.484) 9.135 13.069 ( -11.537 12.096 5.155) 17.493 13.809 ( -1.812 7.403 -0.122) 7.622 14.463 ( 15.174 10.437 6.285) 19.459 14.773 ( -1.451 13.351 1.851) 13.556 15.038 ( -3.783 -5.563 -2.380) 7.136 15.544 ( 8.452 -4.834 2.397) 10.027 15.879 ( -1.245 0.870 -1.788) 2.347 17.195 ( -7.126 -3.731 -0.630) 8.069 17.507 ( -20.874 -1.447 -0.148) 20.925 17.803 ( -7.030 -4.796 -4.703) 9.723 18.291 ( 11.728 -20.611 -10.549) 25.955 20.646 ( 5.644 6.723 -0.520) 8.793 21.552 ( -1.152 13.877 -4.878) 14.754 23.428 ( -3.776 0.430 2.707) 4.666 24.062 ( 8.097 13.449 13.354) 20.609 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -18.632 -0.000 19.669) 27.093 1.332 ( -22.255 -0.000 18.709) 29.074 2.119 ( -24.959 -0.000 19.021) 31.381 2.718 ( -5.758 -0.000 -18.659) 19.527 2.892 ( -18.063 -0.000 -2.460) 18.230 3.135 ( 7.116 0.000 -5.804) 9.183 3.386 ( -0.148 -0.000 5.302) 5.304 3.444 ( 11.005 0.000 -8.599) 13.967 3.456 ( -0.637 -0.000 3.407) 3.466 3.599 ( 1.179 0.000 -0.403) 1.246 3.873 ( 0.102 0.000 -1.736) 1.739 4.060 ( 8.473 0.000 8.597) 12.071 4.100 ( -1.109 -0.000 1.018) 1.505 4.229 ( 0.476 0.000 -2.279) 2.328 4.490 ( -6.770 -0.000 -1.224) 6.880 4.626 ( 8.444 0.000 0.912) 8.493 4.912 ( -1.104 -0.000 -11.106) 11.161 4.935 ( -4.215 -0.000 6.593) 7.825 5.010 ( -6.596 -0.000 -1.855) 6.852 5.180 ( 8.537 0.000 -2.736) 8.965 5.598 ( 5.948 0.000 7.833) 9.835 5.744 ( -7.337 -0.000 -8.147) 10.964 5.836 ( -0.463 -0.000 -6.519) 6.536 6.009 ( -1.623 -0.000 4.883) 5.146 6.297 ( -0.585 -0.000 -6.890) 6.915 6.565 ( 4.497 0.000 12.461) 13.248 6.585 ( 5.882 0.000 0.339) 5.891 6.979 ( 0.618 0.000 6.533) 6.562 7.362 ( 5.247 0.000 -2.508) 5.815 7.619 ( -9.088 -0.000 5.964) 10.870 7.693 ( 6.873 0.000 -9.628) 11.830 8.388 ( 4.913 0.000 9.439) 10.641 8.826 ( 2.605 0.000 -3.361) 4.253 9.474 ( 2.656 0.000 -7.211) 7.684 9.926 ( 1.178 0.000 1.892) 2.229 10.182 ( -2.859 -0.000 -6.312) 6.929 10.329 ( -4.015 -0.000 -13.018) 13.623 10.367 ( 0.116 0.000 3.365) 3.367 10.600 ( 9.006 0.000 -6.632) 11.184 10.727 ( -3.618 -0.000 0.215) 3.625 10.989 ( 4.702 0.000 -0.814) 4.772 11.076 ( -15.748 -0.000 -14.234) 21.227 11.772 ( -14.198 -0.000 0.909) 14.227 12.295 ( -0.024 -0.000 -5.028) 5.028 12.531 ( -2.826 -0.000 2.978) 4.105 13.336 ( -7.065 -0.000 5.731) 9.097 13.976 ( -4.129 -0.000 2.418) 4.785 14.694 ( 17.915 0.000 6.913) 19.203 14.740 ( -7.280 -0.000 0.360) 7.289 15.187 ( 3.416 0.000 0.199) 3.422 15.405 ( 11.899 0.000 -3.907) 12.524 16.064 ( -5.561 -0.000 1.446) 5.746 16.840 ( 3.407 0.000 -1.416) 3.690 17.067 ( 0.464 0.000 1.111) 1.204 17.820 ( -10.585 -0.000 11.402) 15.558 18.144 ( -32.259 -0.000 -13.522) 34.978 20.771 ( 7.695 0.000 -0.920) 7.750 21.827 ( 0.027 0.000 -6.671) 6.671 23.440 ( -4.367 -0.000 2.233) 4.905 24.418 ( 20.238 0.000 11.407) 23.231 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -17.091 -9.149 18.760) 26.977 1.307 ( -17.570 -15.603 17.125) 29.077 2.146 ( -12.669 -15.377 20.230) 28.394 2.671 ( -5.487 -5.531 -11.638) 14.005 2.768 ( -16.907 -2.516 -6.004) 18.117 3.131 ( 7.193 2.999 -5.019) 9.270 3.352 ( 0.641 4.614 0.615) 4.698 3.472 ( 4.653 2.030 -1.567) 5.313 3.550 ( -0.517 -5.778 -1.055) 5.896 3.630 ( 1.554 -2.066 -3.309) 4.199 3.861 ( 4.305 2.776 -0.612) 5.159 4.006 ( 3.394 5.222 3.050) 6.935 4.199 ( -4.819 0.530 -1.276) 5.014 4.228 ( 1.758 -4.632 8.410) 9.761 4.462 ( -3.434 -3.672 -6.393) 8.133 4.673 ( 3.730 5.818 2.080) 7.217 4.737 ( 2.422 5.387 -4.352) 7.337 4.951 ( -0.758 -0.088 -0.767) 1.081 5.041 ( -2.387 -4.975 -2.740) 6.161 5.190 ( 1.269 2.395 -2.448) 3.653 5.660 ( 0.244 -1.011 2.341) 2.562 5.746 ( -1.306 -5.239 -0.899) 5.474 5.927 ( -1.904 -9.168 -4.767) 10.507 6.029 ( 0.027 -1.753 3.632) 4.033 6.204 ( -3.015 4.428 -5.676) 7.805 6.521 ( 3.010 5.820 -0.601) 6.580 6.806 ( 3.124 -13.779 6.659) 15.620 7.078 ( 3.227 -7.564 9.906) 12.875 7.461 ( 4.769 -7.141 -1.898) 8.794 7.587 ( -7.135 1.524 4.268) 8.453 7.670 ( 2.172 0.417 -3.830) 4.423 8.461 ( 6.403 -0.960 8.627) 10.786 8.928 ( 3.850 -7.524 -5.483) 10.075 9.461 ( -0.995 1.123 -7.366) 7.517 9.916 ( -15.849 15.937 0.804) 22.491 9.979 ( -2.824 -2.207 -6.048) 7.031 10.285 ( -1.233 -0.580 -8.657) 8.764 10.357 ( 5.219 -0.065 3.078) 6.059 10.692 ( 3.229 -10.054 -2.057) 10.759 10.776 ( 1.562 -3.502 -4.097) 5.611 10.900 ( -8.144 -15.792 -11.956) 21.417 11.224 ( -2.498 -13.195 -2.471) 13.655 11.986 ( -1.127 -19.981 0.539) 20.020 12.320 ( 3.676 -4.063 -4.446) 7.056 12.572 ( -1.394 -5.749 2.745) 6.521 13.207 ( -8.343 9.196 5.939) 13.765 13.900 ( -3.562 4.835 0.380) 6.017 14.734 ( -0.214 -0.779 3.192) 3.293 14.820 ( 13.437 0.894 5.748) 14.643 15.100 ( 1.827 12.533 -1.566) 12.762 15.521 ( 11.542 -3.793 1.759) 12.275 15.949 ( -4.216 6.804 1.176) 8.090 17.001 ( 1.889 -12.957 -0.051) 13.095 17.259 ( -4.994 -12.288 -6.461) 14.755 17.720 ( -16.858 4.326 -8.373) 19.314 17.969 ( -7.993 -15.257 6.845) 18.534 20.791 ( 6.429 4.059 -0.359) 7.612 21.723 ( -3.195 8.403 -6.663) 11.190 23.412 ( -3.339 0.268 2.348) 4.091 24.444 ( 13.784 15.272 10.278) 22.997 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -20.409 -0.000 18.597) 27.611 1.070 ( -9.657 -0.000 24.423) 26.263 1.979 ( -9.818 -0.000 42.019) 43.150 2.535 ( -5.246 -0.000 -21.076) 21.719 2.610 ( -12.052 -0.000 -10.154) 15.759 3.214 ( 5.061 0.000 -4.297) 6.639 3.378 ( -3.908 -0.000 6.186) 7.317 3.461 ( -0.225 -0.000 0.595) 0.636 3.570 ( -3.513 -0.000 -3.485) 4.948 3.574 ( 10.015 0.000 -9.332) 13.689 3.926 ( 6.886 0.000 -1.419) 7.030 4.071 ( -4.616 -0.000 -1.549) 4.869 4.149 ( -6.177 -0.000 -0.988) 6.255 4.237 ( 7.866 0.000 11.167) 13.659 4.368 ( -4.358 -0.000 -17.326) 17.866 4.753 ( 5.077 0.000 -0.019) 5.077 4.899 ( -6.001 -0.000 0.934) 6.073 4.908 ( -1.720 -0.000 4.583) 4.895 5.000 ( 14.534 0.000 -1.274) 14.590 5.243 ( -0.233 -0.000 -1.982) 1.996 5.595 ( -4.991 -0.000 -11.287) 12.341 5.726 ( 4.196 0.000 6.888) 8.065 5.795 ( -0.872 -0.000 -7.536) 7.586 6.039 ( -2.146 -0.000 6.362) 6.715 6.243 ( 4.058 0.000 -3.672) 5.473 6.636 ( 0.737 0.000 -1.307) 1.500 6.660 ( 1.713 0.000 9.389) 9.544 7.051 ( 2.961 0.000 10.127) 10.551 7.404 ( -1.162 -0.000 -0.522) 1.274 7.530 ( -4.937 -0.000 10.379) 11.493 7.728 ( 0.712 0.000 -7.779) 7.811 8.525 ( 6.678 0.000 7.474) 10.023 8.862 ( 5.369 0.000 -9.538) 10.945 9.464 ( 0.375 0.000 -8.082) 8.091 9.859 ( -29.759 -0.000 -20.915) 36.374 9.989 ( -15.009 -0.000 3.087) 15.323 10.111 ( -2.550 -0.000 -4.868) 5.496 10.403 ( 2.382 0.000 3.876) 4.549 10.472 ( -9.170 -0.000 -2.784) 9.583 10.658 ( -4.391 -0.000 -0.541) 4.425 10.798 ( 1.648 0.000 -11.991) 12.104 11.047 ( 2.401 0.000 -0.137) 2.405 11.833 ( 7.430 0.000 13.753) 15.632 12.362 ( 9.231 0.000 -2.218) 9.494 12.516 ( -0.962 -0.000 3.122) 3.267 13.246 ( -6.648 -0.000 5.503) 8.630 13.913 ( -3.855 -0.000 -0.100) 3.856 14.641 ( -4.749 -0.000 0.050) 4.749 15.004 ( 11.412 0.000 5.369) 12.612 15.233 ( 2.057 0.000 0.344) 2.085 15.721 ( 32.144 0.000 -0.264) 32.145 15.985 ( -4.672 -0.000 2.816) 5.455 16.877 ( 2.061 0.000 -1.461) 2.527 17.079 ( 0.231 0.000 1.203) 1.225 17.496 ( -36.009 -0.000 -11.961) 37.944 17.837 ( 1.353 0.000 18.673) 18.722 20.878 ( 5.907 0.000 0.356) 5.918 21.747 ( -5.887 -0.000 -7.842) 9.805 23.395 ( -2.518 -0.000 2.263) 3.386 24.737 ( 12.941 0.000 1.156) 12.993 ======================= Grid point 305 (142/172) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.000 -0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 2.077 ( -0.000 -0.000 0.000) 0.000 2.275 ( -0.000 -0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.406 ( -0.000 -0.000 0.000) 0.000 3.454 ( -0.000 -0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 -0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.986 ( -0.000 -0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.601 ( -0.000 -0.000 -0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 -0.000) 0.000 4.958 ( -0.000 -0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.169 ( -0.000 -0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.667 ( -0.000 -0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.634 ( -0.000 -0.000 0.000) 0.000 6.802 ( -0.000 -0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.396 ( -0.000 -0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.761 ( -0.000 -0.000 0.000) 0.000 9.321 ( -0.000 -0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 10.032 ( -0.000 -0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 10.563 ( -0.000 -0.000 0.000) 0.000 10.604 ( -0.000 -0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.552 ( -0.000 -0.000 0.000) 0.000 13.258 ( -0.000 -0.000 0.000) 0.000 13.870 ( 0.000 0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 15.114 ( -0.000 -0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 16.002 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 16.983 ( -0.000 -0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 18.137 ( 0.000 0.000 0.000) 0.000 20.965 ( -0.000 -0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 23.405 ( 0.000 0.000 0.000) 0.000 24.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 9.001 -8.003 -6.362) 13.621 1.653 ( 2.808 -19.563 -7.338) 21.082 2.052 ( -0.240 2.723 7.504) 7.987 2.328 ( 3.709 -5.082 4.613) 7.801 2.941 ( 7.222 -14.007 -14.727) 21.569 3.148 ( -5.696 1.848 1.828) 6.261 3.322 ( 2.265 6.895 0.740) 7.295 3.452 ( -4.875 -1.586 5.825) 7.760 3.493 ( 1.066 -2.272 -0.611) 2.583 3.595 ( 4.761 -4.334 -3.383) 7.273 3.837 ( 3.528 -8.497 9.015) 12.881 3.940 ( -6.239 0.333 2.054) 6.577 4.085 ( 1.141 2.072 0.309) 2.385 4.115 ( 5.359 0.043 -0.258) 5.365 4.520 ( -6.539 0.944 -6.423) 9.214 4.657 ( 3.787 2.998 5.020) 6.966 4.902 ( -5.777 5.086 -3.862) 8.611 4.953 ( -5.129 8.613 5.813) 11.588 5.004 ( 5.056 -2.756 -2.744) 6.378 5.129 ( -0.780 2.222 1.129) 2.611 5.467 ( 2.965 -6.462 1.834) 7.343 5.777 ( -0.485 -9.540 1.923) 9.744 5.862 ( -2.102 -3.353 -0.947) 4.069 5.986 ( 7.015 1.304 0.034) 7.135 6.357 ( -8.804 4.466 -4.578) 10.882 6.519 ( 3.819 10.431 0.039) 11.108 6.918 ( 1.633 -11.173 -1.639) 11.410 7.323 ( -4.004 -10.774 -1.407) 11.580 7.412 ( -5.477 -5.134 5.865) 9.527 7.546 ( 0.209 4.563 0.749) 4.629 7.744 ( 1.339 -6.116 -2.351) 6.688 8.661 ( -4.003 1.032 0.775) 4.206 8.861 ( 3.195 -9.473 -2.248) 10.247 9.328 ( 2.609 1.092 -1.119) 3.041 9.491 ( 6.814 -7.243 4.635) 10.971 9.942 ( 1.495 11.396 -0.074) 11.494 10.170 ( 0.760 -6.601 0.641) 6.675 10.554 ( -4.239 -3.209 -4.431) 6.921 10.592 ( 1.360 -22.431 0.897) 22.490 10.650 ( 1.881 -8.399 3.628) 9.340 10.722 ( 1.573 -15.052 0.236) 15.136 11.160 ( 0.599 -10.701 0.520) 10.731 12.097 ( -0.113 -6.912 -1.736) 7.128 12.418 ( -6.251 0.568 -1.198) 6.390 12.595 ( 0.590 -4.668 0.042) 4.705 13.184 ( 4.078 9.729 -0.693) 10.572 13.839 ( 2.500 4.791 0.081) 5.405 14.684 ( 2.574 -8.062 0.024) 8.462 15.016 ( -0.930 10.576 0.856) 10.651 15.220 ( -4.284 5.003 -1.536) 6.763 15.830 ( -20.085 7.280 0.314) 21.366 15.947 ( 1.745 8.205 -1.064) 8.456 17.009 ( 13.108 5.156 2.127) 14.245 17.044 ( 1.312 -17.628 -1.497) 17.740 17.224 ( 6.884 -3.632 1.140) 7.866 18.282 ( 2.636 -15.237 -7.734) 17.289 20.901 ( -3.830 4.982 -1.072) 6.375 21.512 ( 2.639 6.675 3.288) 7.895 23.409 ( 0.826 -0.030 0.002) 0.826 24.639 ( -5.184 12.847 1.879) 13.980 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 13.783 -13.227 -9.456) 21.316 1.978 ( 1.488 -11.693 -17.206) 20.856 2.134 ( 2.236 -13.826 15.574) 20.946 2.522 ( 10.620 -8.120 4.493) 14.103 3.025 ( -8.686 3.649 1.143) 9.490 3.144 ( 1.342 -3.123 -4.418) 5.574 3.243 ( 0.609 4.000 -1.574) 4.342 3.431 ( -4.325 1.921 6.610) 8.129 3.644 ( 2.799 -12.543 -11.476) 17.229 3.658 ( 2.949 -2.090 -1.960) 4.112 3.892 ( -2.123 -1.110 -1.226) 2.691 3.971 ( -1.015 4.326 0.240) 4.450 4.114 ( 0.813 3.508 2.254) 4.249 4.194 ( 6.943 -13.698 17.105) 22.988 4.460 ( 1.296 2.051 -6.081) 6.547 4.618 ( 0.765 1.895 0.860) 2.218 4.666 ( -3.580 8.330 -0.450) 9.078 4.850 ( -5.427 3.756 2.446) 7.039 5.087 ( 2.827 -3.388 -0.481) 4.438 5.168 ( 1.886 -4.878 -0.157) 5.232 5.603 ( 4.718 -3.048 2.728) 6.244 5.873 ( -3.668 -1.385 2.397) 4.595 5.976 ( 1.301 -6.363 3.296) 7.283 6.044 ( 8.068 -3.050 -6.787) 10.975 6.210 ( -6.351 3.073 -1.864) 7.298 6.406 ( 3.642 4.118 -1.011) 5.590 7.150 ( 0.989 -13.036 -3.029) 13.420 7.361 ( -8.539 -0.752 9.800) 13.020 7.476 ( -0.515 1.215 -3.650) 3.881 7.601 ( -6.465 -16.188 1.653) 17.510 7.883 ( 2.100 -9.006 -5.328) 10.673 8.611 ( -6.354 -0.186 3.175) 7.105 9.075 ( 4.183 -10.421 -3.157) 11.664 9.326 ( 1.668 1.322 -0.517) 2.190 9.606 ( 7.994 1.400 -0.275) 8.120 9.812 ( 2.884 2.774 6.268) 7.436 10.226 ( 2.007 -1.095 -0.966) 2.482 10.512 ( -8.566 -0.364 -4.574) 9.718 10.730 ( 1.358 -2.951 2.164) 3.903 11.006 ( -0.264 -20.004 1.250) 20.045 11.213 ( -5.142 -29.909 0.837) 30.359 11.415 ( -0.471 -12.736 1.319) 12.813 12.249 ( -1.473 -10.794 -3.422) 11.419 12.457 ( -2.664 -13.118 2.745) 13.664 12.710 ( 2.671 -5.997 -0.171) 6.567 13.009 ( 7.158 13.004 -1.756) 14.948 13.744 ( 2.702 8.229 0.790) 8.697 14.753 ( -0.361 17.584 2.114) 17.714 14.869 ( -0.721 -3.066 -4.547) 5.531 14.977 ( -10.168 4.980 -0.100) 11.323 15.734 ( -9.251 -1.968 -1.406) 9.561 15.822 ( -1.526 -0.182 2.566) 2.991 17.018 ( 17.531 8.163 2.011) 19.443 17.206 ( 12.800 10.923 -2.196) 16.970 17.493 ( 0.574 -28.631 3.485) 28.848 18.584 ( -3.452 -19.095 -10.271) 21.955 20.743 ( -5.151 8.008 -1.158) 9.592 21.373 ( 3.364 12.788 4.625) 14.008 23.420 ( 1.490 -0.197 0.004) 1.503 24.324 ( -6.743 16.134 1.212) 17.529 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 12.175 -14.059 -10.131) 21.179 2.146 ( 4.197 -11.269 -5.720) 13.317 2.468 ( 2.042 -15.122 1.867) 15.373 2.756 ( 9.635 -6.367 0.772) 11.575 2.910 ( -3.875 2.104 2.392) 5.016 3.136 ( -5.175 5.470 -0.153) 7.532 3.151 ( -2.433 -0.439 2.798) 3.734 3.368 ( -2.892 2.816 5.217) 6.596 3.581 ( -1.358 6.512 1.181) 6.756 3.773 ( -3.198 8.612 -3.937) 9.995 3.875 ( -3.635 -9.463 -10.444) 14.555 3.930 ( -0.258 8.233 4.335) 9.308 4.118 ( 5.748 -4.138 -2.064) 7.377 4.400 ( 1.593 0.512 4.642) 4.934 4.437 ( 3.003 3.145 -4.644) 6.362 4.668 ( 4.921 -14.628 10.979) 18.940 4.717 ( 2.550 -9.001 -3.505) 9.990 4.837 ( 1.256 -5.533 1.445) 5.855 5.162 ( 0.712 -3.317 0.519) 3.432 5.272 ( 3.246 -3.674 1.733) 5.199 5.644 ( 3.386 2.557 3.288) 5.368 5.805 ( -5.008 4.921 4.194) 8.178 5.962 ( 0.520 4.937 -9.554) 10.767 6.097 ( 0.678 5.788 3.351) 6.722 6.232 ( 3.145 -7.900 -3.153) 9.069 6.483 ( 4.141 -7.902 -0.381) 8.930 7.299 ( -3.376 3.669 7.784) 9.244 7.340 ( -0.192 -8.365 -2.952) 8.873 7.484 ( -3.543 -3.922 -0.401) 5.301 7.789 ( -8.333 -10.310 -1.130) 13.305 8.092 ( 2.061 -14.764 -5.614) 15.929 8.594 ( -5.998 -2.391 4.333) 7.776 9.240 ( 2.575 -5.326 -0.383) 5.928 9.290 ( -1.482 2.111 -0.682) 2.668 9.631 ( 11.272 1.530 -3.076) 11.784 9.930 ( 3.997 -7.955 9.198) 12.801 10.269 ( 3.570 -2.066 -2.604) 4.878 10.404 ( -11.443 2.299 -5.719) 12.997 10.778 ( 0.876 -1.957 -1.816) 2.810 11.374 ( -5.284 -23.115 0.145) 23.712 11.420 ( -8.685 3.916 4.516) 10.543 11.643 ( 0.485 -20.388 1.677) 20.463 12.442 ( -2.336 -8.848 -5.741) 10.803 12.626 ( 9.618 4.927 2.521) 11.097 12.868 ( -2.037 -15.285 1.519) 15.495 13.019 ( 3.900 -12.953 -0.704) 13.546 13.608 ( 1.657 9.192 2.167) 9.588 14.452 ( -1.589 15.660 2.094) 15.879 14.558 ( -13.236 14.935 -5.830) 20.791 15.025 ( 2.958 6.194 0.685) 6.898 15.686 ( -3.866 -6.572 -0.542) 7.644 15.984 ( -7.599 -15.448 3.176) 17.507 16.972 ( 14.738 13.612 -1.794) 20.143 17.105 ( 22.913 13.506 1.847) 26.661 18.033 ( 0.285 -29.552 2.496) 29.659 18.805 ( -10.428 -14.593 -8.412) 19.811 20.553 ( -3.977 8.627 -1.154) 9.569 21.151 ( 2.827 15.778 4.591) 16.674 23.441 ( 1.957 -0.691 0.005) 2.076 24.017 ( -5.741 12.561 0.228) 13.813 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 5.368 -12.601 -7.130) 15.441 2.413 ( 9.766 -11.902 -4.464) 16.030 2.626 ( -2.540 -3.261 -0.249) 4.141 2.788 ( -1.715 4.400 -1.446) 4.939 2.965 ( 8.603 0.327 4.500) 9.714 3.005 ( -7.367 0.814 -2.112) 7.707 3.216 ( -2.189 -9.178 4.868) 10.617 3.327 ( -2.596 -0.038 2.280) 3.455 3.446 ( -1.794 6.421 0.340) 6.676 3.615 ( -0.242 6.801 -3.774) 7.782 3.733 ( -1.985 11.913 5.763) 13.382 3.942 ( -2.714 -3.506 -4.112) 6.047 4.059 ( -0.967 7.704 3.369) 8.464 4.334 ( 3.213 4.820 0.095) 5.794 4.646 ( 2.366 -15.446 -6.215) 16.817 4.867 ( 7.417 -3.443 -5.259) 9.722 4.984 ( 3.779 -16.123 -3.237) 16.873 5.054 ( 2.300 -9.839 8.125) 12.966 5.214 ( -0.075 -2.072 1.789) 2.738 5.351 ( 1.419 -2.324 8.203) 8.643 5.584 ( 0.619 7.163 4.031) 8.242 5.686 ( -2.864 3.466 0.835) 4.573 5.854 ( -0.936 4.483 -7.328) 8.641 5.967 ( 0.148 8.546 -0.636) 8.571 6.367 ( 1.613 -5.409 -1.934) 5.967 6.638 ( 3.116 -4.705 0.332) 5.653 7.237 ( -0.055 2.856 3.803) 4.757 7.415 ( -3.788 -2.778 -0.441) 4.718 7.550 ( 2.762 -3.535 0.097) 4.487 7.838 ( -8.342 -4.262 -2.230) 9.629 8.354 ( 2.105 -12.097 -3.998) 12.914 8.606 ( -4.367 -2.178 3.284) 5.882 9.241 ( -0.984 1.134 3.153) 3.492 9.327 ( -0.084 -3.105 -2.145) 3.775 9.734 ( 15.165 -1.538 0.003) 15.243 10.093 ( 0.363 -4.822 5.510) 7.331 10.199 ( -15.934 4.676 -3.314) 16.933 10.394 ( 7.550 -5.435 -4.500) 10.334 10.823 ( 1.457 -3.617 -5.460) 6.710 11.225 ( -8.684 9.526 6.686) 14.521 11.704 ( -8.547 -19.982 0.256) 21.735 11.984 ( 3.964 -13.824 1.680) 14.479 12.307 ( 6.846 15.597 -1.677) 17.116 12.767 ( 5.609 -6.263 -2.347) 8.728 13.125 ( -2.770 -16.743 -0.045) 16.971 13.355 ( -0.017 -17.290 -0.166) 17.291 13.484 ( -0.810 3.921 4.083) 5.719 14.147 ( -12.178 13.624 -2.638) 18.463 14.241 ( 2.051 13.078 1.278) 13.299 14.790 ( 1.315 17.438 -1.682) 17.568 15.887 ( -4.285 -16.016 2.285) 16.736 16.159 ( -8.057 -8.772 -0.210) 11.912 16.828 ( 12.712 12.138 0.431) 17.581 17.089 ( 19.074 9.022 -0.189) 21.101 18.487 ( 0.689 -19.704 1.639) 19.784 18.898 ( -10.921 -7.696 -4.786) 14.191 20.396 ( -1.462 5.782 -1.171) 6.078 20.920 ( 1.592 12.248 3.330) 12.792 23.476 ( 2.012 -1.352 0.014) 2.424 23.803 ( -3.869 7.296 -0.077) 8.259 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 -0.000 -0.000) 0.000 2.631 ( -0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.887 ( -0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 -0.000 0.000) 0.000 3.351 ( -0.000 0.000 0.000) 0.000 3.423 ( -0.000 -0.000 -0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.612 ( -0.000 0.000 -0.000) 0.000 3.952 ( -0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.309 ( -0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.917 ( -0.000 -0.000 0.000) 0.000 5.137 ( -0.000 0.000 0.000) 0.000 5.217 ( -0.000 -0.000 -0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.412 ( -0.000 0.000 0.000) 0.000 5.468 ( -0.000 0.000 -0.000) 0.000 5.679 ( 0.000 -0.000 -0.000) 0.000 5.777 ( -0.000 0.000 0.000) 0.000 5.866 ( -0.000 0.000 0.000) 0.000 6.423 ( -0.000 0.000 0.000) 0.000 6.689 ( -0.000 0.000 0.000) 0.000 7.217 ( -0.000 0.000 -0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.604 ( 0.000 0.000 0.000) 0.000 7.831 ( -0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 -0.000) 0.000 8.608 ( -0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.350 ( -0.000 0.000 0.000) 0.000 9.874 ( -0.000 0.000 0.000) 0.000 10.017 ( -0.000 0.000 0.000) 0.000 10.139 ( -0.000 0.000 0.000) 0.000 10.492 ( -0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.063 ( -0.000 0.000 0.000) 0.000 11.903 ( -0.000 -0.000 0.000) 0.000 12.054 ( 0.000 0.000 0.000) 0.000 12.221 ( -0.000 0.000 0.000) 0.000 12.835 ( -0.000 0.000 0.000) 0.000 13.315 ( -0.000 -0.000 -0.000) 0.000 13.400 ( -0.000 0.000 0.000) 0.000 13.602 ( -0.000 0.000 0.000) 0.000 13.916 ( 0.000 -0.000 0.000) 0.000 14.123 ( -0.000 0.000 0.000) 0.000 14.601 ( -0.000 0.000 0.000) 0.000 16.095 ( -0.000 0.000 -0.000) 0.000 16.129 ( -0.000 -0.000 0.000) 0.000 16.781 ( -0.000 0.000 0.000) 0.000 17.082 ( -0.000 0.000 0.000) 0.000 18.684 ( -0.000 0.000 0.000) 0.000 18.903 ( 0.000 0.000 0.000) 0.000 20.337 ( -0.000 0.000 0.000) 0.000 20.812 ( -0.000 0.000 0.000) 0.000 23.503 ( -0.000 0.000 0.000) 0.000 23.716 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 17.759 0.000 -11.294) 21.046 1.479 ( 6.996 0.000 -11.592) 13.540 2.147 ( 4.741 0.000 12.264) 13.148 2.270 ( -2.471 -0.000 8.241) 8.603 2.873 ( 19.553 0.000 -28.106) 34.238 3.131 ( -6.472 -0.000 3.806) 7.508 3.371 ( -10.124 -0.000 9.163) 13.655 3.458 ( 4.640 0.000 3.312) 5.701 3.481 ( 0.401 0.000 1.673) 1.720 3.556 ( 5.826 0.000 -9.785) 11.388 3.843 ( 7.445 0.000 12.714) 14.734 3.894 ( -4.598 -0.000 7.612) 8.893 4.109 ( -0.075 -0.000 2.095) 2.096 4.183 ( 7.716 0.000 -2.188) 8.020 4.423 ( -10.809 -0.000 -6.960) 12.856 4.707 ( -2.058 -0.000 4.869) 5.286 4.894 ( 1.307 0.000 1.715) 2.156 5.006 ( 4.848 0.000 -4.319) 6.493 5.008 ( -11.376 -0.000 -0.077) 11.376 5.163 ( -4.799 -0.000 4.947) 6.893 5.434 ( 5.025 0.000 3.776) 6.286 5.693 ( 2.480 0.000 1.917) 3.135 5.803 ( -3.426 -0.000 -1.148) 3.614 6.069 ( 9.010 0.000 1.151) 9.084 6.299 ( -11.775 -0.000 -7.154) 13.778 6.658 ( 0.600 0.000 -1.727) 1.829 6.811 ( 2.083 0.000 -5.244) 5.643 7.157 ( -4.226 -0.000 -2.103) 4.720 7.338 ( -9.192 -0.000 8.623) 12.604 7.586 ( -4.311 -0.000 5.949) 7.346 7.697 ( 3.898 0.000 -4.527) 5.974 8.645 ( -3.488 -0.000 -3.338) 4.828 8.788 ( 4.250 0.000 -3.439) 5.467 9.321 ( -1.382 -0.000 4.331) 4.546 9.550 ( 18.372 0.000 8.867) 20.400 10.049 ( 1.738 0.000 1.229) 2.129 10.109 ( 6.270 0.000 -3.771) 7.317 10.466 ( 8.814 0.000 -1.803) 8.997 10.480 ( -2.311 -0.000 -3.561) 4.245 10.582 ( -3.023 -0.000 6.722) 7.371 10.629 ( 4.825 0.000 2.348) 5.366 11.047 ( -2.608 -0.000 -0.145) 2.612 12.026 ( -0.211 -0.000 -5.437) 5.441 12.359 ( -9.489 -0.000 -2.280) 9.759 12.549 ( -0.130 -0.000 0.030) 0.134 13.309 ( 5.587 0.000 -0.784) 5.642 13.916 ( 5.304 0.000 -0.381) 5.317 14.641 ( 4.847 0.000 0.099) 4.848 15.082 ( -4.380 -0.000 -1.572) 4.653 15.239 ( -1.999 -0.000 -0.208) 2.010 15.682 ( -35.549 -0.000 1.815) 35.595 16.052 ( 3.498 0.000 -3.107) 4.679 16.864 ( -1.384 -0.000 -0.190) 1.397 17.089 ( -0.857 -0.000 0.187) 0.877 17.352 ( 31.018 0.000 2.724) 31.138 18.184 ( 10.800 0.000 -15.995) 19.299 20.898 ( -6.813 -0.000 -1.549) 6.987 21.610 ( 3.933 0.000 5.863) 7.060 23.419 ( 1.698 0.000 0.061) 1.699 24.700 ( -11.287 -0.000 4.213) 12.048 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 21.608 -6.426 -12.734) 25.891 1.686 ( 8.410 -16.247 -16.052) 24.339 2.125 ( 3.456 3.032 13.670) 14.422 2.447 ( 6.178 -11.222 9.165) 15.751 2.991 ( -2.885 -0.646 -5.941) 6.636 3.081 ( 8.440 -1.818 -13.088) 15.679 3.319 ( -6.282 2.035 7.308) 9.850 3.429 ( 1.646 2.047 -0.652) 2.707 3.514 ( 2.206 -2.489 -1.287) 3.566 3.661 ( 4.676 -4.082 -3.798) 7.276 3.840 ( -2.737 -1.215 0.456) 3.029 4.011 ( 3.667 -0.050 7.536) 8.381 4.128 ( 5.833 -3.557 11.705) 13.553 4.180 ( 0.724 2.585 3.490) 4.403 4.395 ( -4.341 -5.435 -7.002) 9.870 4.672 ( -4.881 2.022 3.317) 6.238 4.778 ( -6.648 10.193 -4.442) 12.955 4.910 ( -0.676 4.069 3.437) 5.369 5.060 ( 2.653 -2.089 -1.918) 3.884 5.120 ( -0.523 -1.227 2.751) 3.058 5.572 ( 7.839 -6.844 4.897) 11.501 5.772 ( -1.577 -4.811 1.166) 5.195 5.846 ( 0.018 -7.871 1.542) 8.020 6.117 ( 7.822 2.351 -2.079) 8.428 6.176 ( -8.544 1.607 -4.903) 9.981 6.550 ( 0.486 8.123 -2.397) 8.483 6.929 ( 0.590 -10.826 -5.349) 12.089 7.218 ( -6.467 -9.204 -3.911) 11.909 7.315 ( -11.099 -5.828 12.495) 17.700 7.516 ( -5.513 3.828 4.593) 8.133 7.775 ( 4.927 -5.368 -6.042) 9.465 8.583 ( -4.858 1.774 -2.327) 5.671 8.911 ( 4.598 -9.278 -4.262) 11.198 9.335 ( -1.956 -0.726 2.984) 3.641 9.708 ( 9.879 -0.995 13.210) 16.526 10.004 ( 7.965 11.310 -3.055) 14.167 10.195 ( 1.534 -5.273 1.840) 5.791 10.440 ( -6.280 0.892 -4.145) 7.578 10.604 ( -3.771 -11.061 3.193) 12.114 10.732 ( 9.031 -17.515 3.507) 20.016 10.765 ( 2.441 -6.721 -0.286) 7.156 11.178 ( 0.555 -14.160 2.002) 14.312 12.079 ( -0.007 -7.720 -5.111) 9.259 12.295 ( -5.167 -2.600 -1.941) 6.102 12.600 ( 0.199 -5.338 0.279) 5.349 13.278 ( 7.142 8.497 -1.283) 11.173 13.907 ( 5.559 5.973 -0.393) 8.170 14.759 ( 6.444 -7.635 -0.222) 9.994 14.961 ( -10.606 6.359 -6.014) 13.751 15.061 ( -10.112 15.276 1.502) 18.381 15.497 ( -16.294 -7.276 2.951) 18.087 15.982 ( 3.280 9.129 -1.538) 9.822 17.012 ( -1.756 -15.797 -1.007) 15.926 17.177 ( 4.033 -8.707 2.560) 9.931 17.533 ( 24.347 6.890 4.603) 25.718 18.312 ( 10.100 -7.745 -20.268) 23.933 20.798 ( -7.564 4.121 -1.037) 8.676 21.591 ( 3.259 7.157 6.372) 10.121 23.435 ( 2.408 0.089 0.151) 2.414 24.499 ( -13.266 10.945 3.141) 17.483 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 17.234 -9.119 -14.233) 24.140 1.978 ( 9.834 -12.426 -14.187) 21.269 2.263 ( 5.477 -10.328 12.705) 17.265 2.717 ( 8.202 -8.564 5.162) 12.933 2.893 ( -7.843 0.671 6.477) 10.194 3.139 ( -0.597 1.120 -5.696) 5.836 3.224 ( -0.608 5.578 2.173) 6.017 3.405 ( -3.299 2.446 4.990) 6.462 3.621 ( 0.288 -8.090 -12.732) 15.087 3.676 ( 2.290 2.189 -1.375) 3.453 3.861 ( -3.329 4.279 -4.120) 6.809 3.992 ( 6.408 -3.685 0.011) 7.392 4.125 ( 0.559 2.192 1.935) 2.977 4.392 ( 1.260 -4.116 5.727) 7.164 4.476 ( 7.843 -8.395 8.978) 14.581 4.598 ( -4.296 4.033 -1.972) 6.214 4.608 ( -1.891 -1.686 -1.943) 3.193 4.830 ( 1.969 3.491 2.906) 4.951 5.107 ( 0.130 -2.709 1.807) 3.259 5.221 ( 4.395 -5.603 -0.689) 7.154 5.709 ( 5.577 -0.853 2.672) 6.243 5.822 ( -3.618 -0.114 0.863) 3.721 5.999 ( -2.492 0.541 -0.326) 2.571 6.077 ( 0.145 -6.921 1.624) 7.110 6.200 ( 7.290 -2.167 -2.955) 8.159 6.436 ( 0.705 2.245 -2.567) 3.482 7.134 ( -1.332 -13.129 -3.651) 13.693 7.276 ( -7.228 -5.612 6.284) 11.101 7.409 ( -5.406 2.442 0.031) 5.932 7.477 ( -9.766 -15.481 3.522) 18.640 7.908 ( 4.606 -7.034 -6.463) 10.605 8.523 ( -5.419 -0.577 -0.406) 5.465 9.108 ( 2.156 -9.632 -3.460) 10.459 9.314 ( -2.937 1.639 4.414) 5.550 9.825 ( 12.799 1.229 6.603) 14.454 9.898 ( 7.065 4.028 0.720) 8.165 10.255 ( 1.002 -1.102 0.008) 1.489 10.349 ( -7.319 1.552 -5.594) 9.342 10.724 ( -2.746 -4.048 0.651) 4.934 10.944 ( -6.561 -18.591 -2.467) 19.869 11.225 ( 4.154 -26.705 5.826) 27.648 11.351 ( -7.982 -5.529 2.356) 9.992 12.215 ( -0.260 -8.742 -4.797) 9.975 12.467 ( 1.475 -16.230 4.117) 16.808 12.726 ( 0.461 -8.321 0.573) 8.354 13.148 ( 10.129 12.247 -2.417) 16.076 13.800 ( 3.607 9.826 0.430) 10.476 14.609 ( -18.361 12.715 -7.386) 23.524 14.772 ( -0.128 14.490 1.985) 14.626 14.994 ( 5.244 -9.512 1.585) 10.977 15.562 ( -10.722 -7.703 0.785) 13.225 15.844 ( 1.689 5.330 1.263) 5.732 17.207 ( 8.182 -2.100 -1.588) 8.596 17.538 ( 2.099 -21.932 9.543) 24.010 17.543 ( 23.931 8.673 0.281) 25.456 18.465 ( -2.022 -10.286 -18.509) 21.271 20.645 ( -6.254 6.342 -0.553) 8.924 21.442 ( 1.741 13.246 5.610) 14.490 23.455 ( 2.810 0.050 0.199) 2.818 24.184 ( -10.827 12.938 0.726) 16.886 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 8.254 -9.996 -11.508) 17.334 2.280 ( 15.955 -12.452 -7.484) 21.579 2.496 ( -0.574 -8.677 3.545) 9.391 2.787 ( -2.183 -2.198 0.156) 3.102 3.012 ( 2.804 -2.139 2.982) 4.619 3.028 ( 0.107 2.527 3.816) 4.578 3.158 ( 1.186 2.740 3.287) 4.441 3.324 ( -6.235 2.511 5.195) 8.495 3.553 ( -2.265 6.687 0.914) 7.119 3.705 ( -2.685 6.139 -3.570) 7.592 3.767 ( -2.783 -5.874 -11.211) 12.959 3.958 ( 0.516 7.870 6.327) 10.111 4.212 ( 5.020 5.128 -0.635) 7.204 4.417 ( 3.392 -8.951 -5.975) 11.283 4.460 ( -0.672 5.428 1.952) 5.808 4.730 ( 2.416 -13.585 -4.182) 14.418 4.817 ( 7.318 -9.188 0.650) 11.765 4.911 ( 5.341 -9.339 9.574) 14.401 5.164 ( -0.621 -3.135 2.730) 4.203 5.337 ( 2.915 -3.458 2.787) 5.312 5.724 ( -6.165 3.248 0.202) 6.971 5.732 ( 4.458 5.941 4.201) 8.533 5.873 ( -6.003 4.021 -4.085) 8.300 6.122 ( -0.426 8.019 1.413) 8.153 6.300 ( 7.214 -6.098 -4.856) 10.621 6.555 ( 4.932 -8.702 -0.087) 10.003 7.290 ( -0.946 1.009 7.245) 7.376 7.298 ( -6.553 -4.319 -0.369) 7.857 7.437 ( -0.017 -12.419 -1.215) 12.478 7.643 ( -8.421 -9.707 -1.994) 13.004 8.094 ( 0.902 -13.366 -2.956) 13.719 8.520 ( -4.293 -3.410 -1.568) 5.702 9.223 ( -2.981 -3.048 -3.617) 5.591 9.289 ( 0.534 -0.618 8.950) 8.987 9.875 ( 16.758 3.327 -5.191) 17.856 10.010 ( 0.858 -6.794 7.007) 9.798 10.178 ( -8.305 5.012 -1.059) 9.758 10.348 ( 4.684 -3.850 -4.922) 7.810 10.755 ( -1.629 -3.048 -3.867) 5.186 11.223 ( -10.703 -13.170 -0.247) 16.973 11.319 ( -8.716 -5.423 4.834) 11.346 11.708 ( 5.262 -21.874 4.836) 23.012 12.375 ( -2.201 -8.961 -6.739) 11.426 12.741 ( 1.159 -12.256 4.939) 13.265 12.864 ( 2.286 -3.973 -0.199) 4.588 13.105 ( 7.354 -4.207 -1.340) 8.578 13.642 ( 1.087 10.124 2.213) 10.420 14.246 ( -14.898 11.681 -5.045) 19.592 14.520 ( 2.309 15.081 1.915) 15.377 15.055 ( 0.497 9.167 -1.262) 9.267 15.608 ( -5.244 -10.258 0.360) 11.526 15.902 ( -4.737 -9.677 2.934) 11.166 17.203 ( 15.681 12.885 -1.857) 20.381 17.497 ( 21.119 13.828 6.574) 26.085 18.065 ( 3.203 -27.720 0.955) 27.921 18.572 ( -12.194 -13.446 -11.910) 21.710 20.489 ( -3.336 6.408 -0.779) 7.267 21.197 ( 0.127 16.087 4.602) 16.733 23.480 ( 2.878 -0.346 0.157) 2.903 23.910 ( -7.393 9.612 -0.305) 12.130 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 5.443 -10.681 -5.863) 13.345 2.572 ( 0.365 -5.815 -1.949) 6.144 2.587 ( 9.053 -5.830 -2.355) 11.023 2.769 ( -0.504 5.999 0.440) 6.037 2.874 ( -5.640 2.327 -1.273) 6.233 3.147 ( 7.108 3.257 6.408) 10.109 3.205 ( -1.315 -8.840 4.015) 9.798 3.278 ( -4.106 -2.074 2.153) 5.078 3.422 ( -1.115 5.896 0.206) 6.004 3.595 ( 0.560 3.986 -4.448) 5.998 3.732 ( -0.776 5.893 -0.032) 5.943 3.874 ( -2.369 2.391 -0.930) 3.492 4.092 ( 2.943 6.217 2.425) 7.293 4.345 ( -1.029 4.614 -2.010) 5.137 4.660 ( 0.506 -11.115 -2.285) 11.358 4.947 ( 2.943 -6.201 -1.921) 7.128 5.031 ( 6.096 -10.106 -5.970) 13.226 5.123 ( 2.610 -5.153 5.504) 7.979 5.234 ( 1.769 -4.557 4.460) 6.617 5.394 ( -1.464 -0.737 8.310) 8.470 5.581 ( -3.777 6.606 1.358) 7.730 5.675 ( 2.410 3.227 -2.526) 4.754 5.772 ( -5.487 2.089 -1.174) 5.987 5.943 ( -2.916 8.698 -1.406) 9.281 6.434 ( 7.666 -2.673 -3.193) 8.724 6.681 ( 1.818 -1.987 0.358) 2.717 7.209 ( -5.658 1.515 -0.312) 5.866 7.379 ( -0.062 -4.302 4.399) 6.153 7.611 ( 2.317 -1.059 -2.008) 3.244 7.741 ( -0.380 -10.141 0.349) 10.154 8.334 ( -3.490 -12.830 1.662) 13.400 8.556 ( -1.540 -4.256 -5.321) 6.986 9.212 ( -3.254 -0.826 1.196) 3.564 9.351 ( 2.359 -1.611 4.998) 5.757 9.864 ( -8.614 4.228 -6.407) 11.538 10.098 ( 8.864 -1.308 0.506) 8.974 10.127 ( 7.648 -0.074 2.635) 8.090 10.456 ( 0.899 -4.011 -1.318) 4.317 10.822 ( 2.258 -6.195 -4.540) 8.006 11.115 ( -8.603 6.171 5.305) 11.842 11.552 ( -10.176 -19.283 -0.452) 21.808 12.069 ( 4.902 -11.829 3.318) 13.227 12.351 ( 0.631 7.956 -2.871) 8.482 12.864 ( 6.252 1.822 -1.738) 6.740 13.108 ( 1.439 -20.702 -0.737) 20.765 13.340 ( -1.503 -16.790 0.415) 16.863 13.487 ( -1.849 7.328 3.922) 8.515 13.960 ( -8.014 8.030 -2.940) 11.719 14.305 ( 4.060 12.583 2.563) 13.468 14.770 ( -2.537 16.987 -2.927) 17.423 15.833 ( -3.473 -16.685 1.825) 17.140 16.031 ( -7.745 -9.094 0.168) 11.947 17.027 ( 11.012 18.263 1.410) 21.373 17.369 ( 14.877 18.889 1.038) 24.067 18.502 ( 0.106 -18.491 -2.574) 18.669 18.731 ( -5.916 -15.542 -2.524) 16.821 20.377 ( -0.264 4.088 -1.031) 4.224 20.934 ( -1.524 12.912 3.102) 13.367 23.509 ( 1.984 -0.186 0.028) 1.992 23.739 ( -3.867 4.175 -0.278) 5.698 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.835 4.843 1.983) 5.300 2.529 ( -3.517 7.973 2.031) 8.947 2.626 ( -1.314 -3.490 1.255) 3.934 2.743 ( 2.758 -0.191 -1.839) 3.320 2.890 ( 1.085 -3.555 -4.233) 5.633 3.095 ( 2.798 4.460 6.088) 8.049 3.307 ( -1.714 -0.180 -0.928) 1.957 3.358 ( 0.544 -2.786 0.012) 2.839 3.413 ( -0.477 -11.070 -0.542) 11.094 3.499 ( 3.333 11.614 -0.738) 12.105 3.635 ( 2.741 -0.464 -0.533) 2.830 3.872 ( -3.248 -5.827 -4.325) 7.950 4.075 ( 6.339 1.968 1.725) 6.858 4.267 ( -4.232 1.157 -0.896) 4.478 4.760 ( -6.101 -2.313 0.017) 6.525 4.966 ( 2.967 8.726 8.315) 12.413 5.097 ( -2.138 -1.051 -2.574) 3.508 5.207 ( 0.488 1.628 -1.074) 2.011 5.239 ( -2.181 8.217 3.994) 9.393 5.416 ( 1.735 6.221 -7.936) 10.232 5.461 ( 0.386 -4.880 -1.403) 5.093 5.661 ( -1.067 0.180 -1.606) 1.937 5.753 ( -3.327 -5.854 3.895) 7.779 5.860 ( -1.137 -2.645 1.630) 3.309 6.476 ( 5.944 4.057 -1.134) 7.285 6.677 ( -1.498 1.996 0.269) 2.510 7.167 ( -4.550 -2.169 -2.051) 5.442 7.459 ( 3.621 -1.566 2.000) 4.423 7.576 ( -1.784 2.265 -0.935) 3.031 7.915 ( 7.974 -3.697 2.509) 9.140 8.422 ( -6.943 -0.995 3.785) 7.970 8.625 ( 3.451 -3.373 -6.634) 8.204 9.212 ( -1.955 -1.294 -0.369) 2.373 9.382 ( 0.868 1.774 5.069) 5.440 9.679 ( -9.924 3.675 -5.039) 11.722 10.144 ( 1.582 0.923 -2.219) 2.877 10.281 ( 19.157 -2.326 2.026) 19.404 10.430 ( -6.896 4.105 2.318) 8.353 10.882 ( -4.159 3.506 6.704) 8.633 11.086 ( 4.692 -9.435 -6.593) 12.430 11.804 ( -8.876 -18.392 -1.250) 20.460 12.110 ( 4.150 12.087 0.840) 12.807 12.209 ( -1.337 7.024 0.214) 7.153 12.844 ( 0.760 3.737 0.672) 3.872 13.304 ( -0.009 -0.798 -4.676) 4.743 13.388 ( -2.087 3.684 3.652) 5.592 13.622 ( 2.491 -5.412 -0.268) 5.964 13.932 ( 0.776 -12.415 -0.033) 12.440 14.161 ( 4.922 5.751 1.546) 7.726 14.571 ( -3.480 -1.674 -1.025) 3.995 16.070 ( -2.294 -0.632 -3.107) 3.914 16.111 ( -2.217 -15.057 2.636) 15.446 16.775 ( -1.255 13.891 2.097) 14.105 17.090 ( 0.951 18.615 -0.587) 18.649 18.657 ( -1.216 -0.441 -2.781) 3.067 18.970 ( 5.842 -8.696 1.638) 10.603 20.347 ( 1.274 -0.698 -0.001) 1.453 20.786 ( -2.960 0.987 0.099) 3.122 23.495 ( -0.879 2.107 -0.074) 2.284 23.724 ( 0.818 -3.741 -0.038) 3.829 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -5.629 16.462 5.869) 18.361 2.340 ( -1.330 11.849 1.287) 11.993 2.642 ( -1.479 4.627 1.661) 5.134 2.809 ( -3.013 4.167 2.637) 5.779 2.856 ( 0.942 -5.026 -2.815) 5.837 3.140 ( 6.579 -0.304 2.179) 6.937 3.226 ( 1.602 7.754 -4.442) 9.079 3.340 ( 0.466 0.611 -1.344) 1.548 3.463 ( 0.604 -7.211 -1.231) 7.340 3.625 ( -0.509 -11.058 1.742) 11.206 3.762 ( 4.008 -8.562 -4.225) 10.355 3.967 ( -0.020 -5.298 0.625) 5.335 4.094 ( 2.914 0.420 -0.374) 2.968 4.267 ( -3.108 -5.288 -0.917) 6.202 4.624 ( -5.553 12.980 4.483) 14.812 4.812 ( -1.399 9.242 10.048) 13.723 4.943 ( -1.544 16.992 -3.060) 17.335 4.983 ( -2.192 11.958 -6.399) 13.738 5.180 ( -3.294 0.805 -1.291) 3.628 5.303 ( -0.905 3.079 -3.475) 4.730 5.563 ( -0.113 -4.383 -2.077) 4.852 5.729 ( 3.329 -6.275 -3.566) 7.948 5.861 ( -3.174 -6.698 7.042) 10.224 5.961 ( -0.499 -7.432 0.194) 7.451 6.386 ( 2.099 9.013 0.732) 9.283 6.588 ( -2.632 6.347 -0.174) 6.873 7.210 ( -1.050 -5.566 -3.283) 6.546 7.461 ( 1.706 4.223 1.361) 4.753 7.546 ( 1.141 1.127 0.036) 1.604 7.985 ( 8.131 4.017 2.016) 9.290 8.303 ( -5.797 8.902 3.301) 11.124 8.665 ( 5.187 1.099 -5.630) 7.734 9.231 ( -0.523 -2.094 -2.328) 3.175 9.306 ( -5.672 4.493 6.573) 9.776 9.599 ( -0.618 0.619 -2.375) 2.531 10.058 ( -0.329 10.059 -6.262) 11.853 10.278 ( -7.274 3.003 4.237) 8.937 10.479 ( 14.644 -2.110 4.077) 15.346 10.798 ( -4.604 2.262 2.739) 5.815 11.328 ( 6.966 -11.589 -4.377) 14.212 11.813 ( 5.377 20.533 -1.208) 21.260 11.936 ( -1.532 13.519 -0.041) 13.605 12.160 ( -10.635 -18.883 0.666) 21.682 12.724 ( -1.362 9.960 1.938) 10.238 13.175 ( 3.007 13.658 -0.332) 13.989 13.338 ( -2.048 10.600 0.843) 10.829 13.492 ( 2.069 6.215 -2.843) 7.141 14.170 ( -2.359 -14.433 -2.000) 14.760 14.403 ( 13.899 -17.104 3.706) 22.349 14.742 ( -5.256 -17.921 -0.077) 18.676 15.941 ( 3.403 14.322 -1.958) 14.850 16.283 ( 7.320 3.843 0.229) 8.271 16.637 ( -10.922 -7.412 0.390) 13.205 16.809 ( -14.431 3.748 0.721) 14.927 18.479 ( 0.542 19.431 -1.842) 19.526 19.073 ( 7.591 4.278 3.045) 9.230 20.434 ( 2.399 -7.162 1.089) 7.631 20.861 ( -3.422 -11.799 -2.493) 12.536 23.449 ( -1.257 1.686 -0.003) 2.103 23.855 ( 2.381 -9.255 -0.059) 9.556 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -5.400 17.439 4.361) 18.770 2.146 ( 0.606 9.415 1.703) 9.587 2.426 ( -2.197 16.466 0.397) 16.616 2.621 ( -4.400 12.194 -1.311) 13.029 2.983 ( 3.291 -6.680 0.751) 7.484 3.142 ( 0.483 -0.067 -2.756) 2.799 3.215 ( 1.483 -1.007 1.174) 2.143 3.393 ( 2.408 -4.201 -2.327) 5.373 3.580 ( -0.446 -5.300 -0.778) 5.375 3.829 ( 1.521 -10.511 3.062) 11.053 3.887 ( -1.047 -4.487 -2.893) 5.440 3.986 ( 2.028 10.872 6.817) 12.991 4.082 ( 0.331 2.016 -0.407) 2.083 4.330 ( -2.316 1.802 -4.867) 5.683 4.395 ( -4.187 2.231 3.592) 5.951 4.571 ( -1.545 9.557 -5.163) 10.972 4.731 ( 1.518 8.293 1.158) 8.510 4.832 ( 0.543 -0.199 -0.744) 0.942 5.128 ( -2.395 2.961 0.099) 3.809 5.236 ( -0.848 3.756 -0.229) 3.857 5.597 ( -1.213 -0.485 -1.234) 1.797 5.852 ( 2.883 -4.737 -3.339) 6.473 5.949 ( -3.289 -3.891 5.332) 7.374 6.085 ( -0.034 -5.491 -1.125) 5.606 6.227 ( 0.415 8.212 0.981) 8.281 6.434 ( -1.879 7.704 0.210) 7.932 7.293 ( -0.504 -1.665 -1.032) 2.023 7.385 ( 3.494 4.107 -1.740) 5.666 7.514 ( -0.159 3.246 1.184) 3.459 7.896 ( 3.987 12.160 0.133) 12.797 8.078 ( -1.791 12.368 2.891) 12.827 8.664 ( 4.333 1.492 -3.844) 5.981 9.164 ( -6.027 4.464 3.616) 8.326 9.298 ( 0.550 -1.790 -1.241) 2.246 9.592 ( 1.503 1.202 3.095) 3.644 9.824 ( -3.666 9.206 -5.763) 11.463 10.228 ( -1.986 0.590 1.485) 2.549 10.599 ( 9.131 0.338 3.407) 9.751 10.736 ( -4.647 1.121 -0.905) 4.865 11.391 ( 0.050 20.638 -1.613) 20.701 11.544 ( 5.425 2.278 -0.267) 5.890 11.656 ( 1.281 16.462 -0.248) 16.514 12.461 ( -4.028 -17.743 -0.782) 18.211 12.507 ( -0.803 11.996 2.446) 12.269 12.881 ( 0.235 27.563 -1.088) 27.585 12.990 ( -0.405 10.830 0.322) 10.842 13.579 ( -0.788 -8.551 -0.987) 8.644 14.435 ( -0.624 -17.256 -1.073) 17.300 14.799 ( 10.644 -14.418 4.738) 18.537 14.960 ( -4.365 -7.099 -2.596) 8.729 15.726 ( 0.993 6.834 0.400) 6.917 16.108 ( 7.689 17.556 -1.652) 19.237 16.701 ( -14.803 -9.896 0.009) 17.806 16.886 ( -5.395 -16.890 0.753) 17.747 18.024 ( 0.147 30.292 -1.135) 30.314 18.953 ( 4.179 15.184 3.041) 16.040 20.614 ( 2.375 -9.913 0.824) 10.226 21.086 ( -2.286 -15.616 -2.227) 15.939 23.420 ( -0.701 0.791 0.019) 1.057 24.081 ( 2.166 -14.344 -0.206) 14.508 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 14.646 0.000) 14.646 2.043 ( -0.000 2.850 0.000) 2.850 2.054 ( 0.000 23.680 -0.000) 23.680 2.410 ( 0.000 8.139 0.000) 8.139 3.109 ( -0.000 -1.739 0.000) 1.739 3.152 ( 0.000 -1.059 0.000) 1.059 3.216 ( -0.000 -0.012 0.000) 0.012 3.467 ( 0.000 -2.114 0.000) 2.114 3.619 ( -0.000 1.345 0.000) 1.345 3.653 ( -0.000 17.067 -0.000) 17.067 3.938 ( -0.000 -2.210 0.000) 2.210 3.964 ( 0.000 1.772 0.000) 1.772 4.085 ( 0.000 0.853 0.000) 0.853 4.103 ( 0.000 7.466 0.000) 7.466 4.467 ( -0.000 -7.079 0.000) 7.079 4.599 ( -0.000 -1.978 0.000) 1.978 4.702 ( 0.000 -9.104 0.000) 9.104 4.914 ( 0.000 -5.473 0.000) 5.473 5.045 ( 0.000 4.621 0.000) 4.621 5.157 ( -0.000 4.341 0.000) 4.341 5.556 ( 0.000 4.249 0.000) 4.249 5.920 ( 0.000 -2.359 -0.000) 2.359 5.943 ( -0.000 3.337 0.000) 3.337 5.978 ( 0.000 11.636 -0.000) 11.636 6.298 ( -0.000 -10.108 0.000) 10.108 6.352 ( 0.000 -0.341 0.000) 0.341 7.145 ( -0.000 13.338 0.000) 13.338 7.447 ( -0.000 3.872 0.000) 3.872 7.450 ( 0.000 -5.349 -0.000) 5.349 7.651 ( 0.000 16.032 0.000) 16.032 7.881 ( 0.000 9.645 0.000) 9.645 8.668 ( 0.000 -0.123 0.000) 0.123 9.029 ( -0.000 9.259 0.000) 9.259 9.299 ( -0.000 0.209 0.000) 0.209 9.566 ( -0.000 3.543 0.000) 3.543 9.768 ( 0.000 -5.694 0.000) 5.694 10.211 ( -0.000 0.827 0.000) 0.827 10.624 ( 0.000 1.679 0.000) 1.679 10.681 ( 0.000 2.388 0.000) 2.388 10.996 ( 0.000 21.145 0.000) 21.145 11.291 ( -0.000 32.919 0.000) 32.919 11.385 ( 0.000 15.062 0.000) 15.062 12.273 ( 0.000 12.446 0.000) 12.446 12.498 ( 0.000 10.227 0.000) 10.227 12.660 ( -0.000 -0.113 0.000) 0.113 12.959 ( -0.000 -9.890 0.000) 9.890 13.719 ( -0.000 -7.541 0.000) 7.541 14.750 ( 0.000 -18.123 0.000) 18.123 14.857 ( 0.000 10.957 0.000) 10.957 15.096 ( 0.000 -11.858 0.000) 11.858 15.780 ( 0.000 -9.008 0.000) 9.008 15.895 ( -0.000 8.123 0.000) 8.123 16.810 ( 0.000 -9.019 0.000) 9.019 17.128 ( 0.000 -10.975 0.000) 10.975 17.481 ( 0.000 29.514 0.000) 29.514 18.639 ( 0.000 21.710 0.000) 21.710 20.794 ( -0.000 -8.714 0.000) 8.714 21.327 ( 0.000 -12.485 0.000) 12.485 23.408 ( 0.000 0.266 0.000) 0.266 24.376 ( -0.000 -17.360 0.000) 17.360 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 14.239 0.000 -16.099) 21.493 1.661 ( 24.244 0.000 -14.292) 28.143 2.306 ( 4.903 0.000 3.428) 5.982 2.316 ( 6.978 0.000 18.028) 19.331 2.958 ( -6.278 -0.000 -0.349) 6.287 3.151 ( 15.741 0.000 -15.385) 22.011 3.233 ( -12.443 -0.000 10.040) 15.988 3.515 ( 3.947 0.000 -2.324) 4.580 3.555 ( 5.552 0.000 1.615) 5.782 3.583 ( 3.396 0.000 -11.499) 11.990 3.818 ( -0.831 -0.000 2.578) 2.709 4.084 ( 1.455 0.000 4.096) 4.347 4.188 ( 9.293 0.000 12.914) 15.910 4.213 ( -11.645 -0.000 -6.060) 13.127 4.256 ( 5.807 0.000 6.062) 8.394 4.620 ( -8.219 -0.000 1.659) 8.385 4.851 ( -7.295 -0.000 -0.215) 7.298 4.969 ( 4.832 0.000 2.577) 5.477 5.063 ( 5.093 0.000 -5.448) 7.458 5.078 ( -7.207 -0.000 5.442) 9.031 5.571 ( 8.228 0.000 7.662) 11.243 5.732 ( -4.703 -0.000 -3.789) 6.040 5.754 ( 3.936 0.000 1.688) 4.282 6.108 ( -7.456 -0.000 -5.833) 9.467 6.204 ( 5.660 0.000 2.196) 6.071 6.620 ( -4.148 -0.000 -2.490) 4.838 6.790 ( -1.340 -0.000 -9.988) 10.078 7.078 ( -3.380 -0.000 -2.995) 4.516 7.204 ( -13.086 -0.000 13.363) 18.703 7.519 ( -6.662 -0.000 6.929) 9.612 7.751 ( 5.936 0.000 -5.965) 8.416 8.557 ( -4.534 -0.000 -7.007) 8.347 8.857 ( 6.944 0.000 -6.058) 9.216 9.312 ( -3.174 -0.000 7.342) 7.999 9.789 ( 3.752 0.000 15.013) 15.475 10.095 ( 2.822 0.000 2.066) 3.498 10.201 ( 5.487 0.000 -2.211) 5.915 10.438 ( -0.970 -0.000 -3.381) 3.517 10.459 ( -9.153 -0.000 6.910) 11.469 10.719 ( 4.874 0.000 1.062) 4.989 10.826 ( 23.189 0.000 6.828) 24.173 10.979 ( -5.601 -0.000 0.184) 5.604 11.977 ( 0.185 0.000 -11.436) 11.438 12.245 ( -1.303 -0.000 -0.621) 1.443 12.559 ( 1.596 0.000 0.286) 1.621 13.398 ( 5.466 0.000 -0.711) 5.512 14.013 ( 6.726 0.000 -1.333) 6.857 14.744 ( 7.575 0.000 -0.003) 7.575 14.881 ( -18.582 -0.000 -11.371) 21.785 15.192 ( -3.536 -0.000 -0.326) 3.551 15.268 ( -15.434 -0.000 9.519) 18.133 16.110 ( 4.816 0.000 -2.694) 5.518 16.829 ( -2.786 -0.000 -0.419) 2.818 17.074 ( -1.045 -0.000 0.422) 1.128 17.796 ( 20.965 0.000 5.621) 21.706 18.350 ( 21.174 0.000 -23.297) 31.481 20.765 ( -8.681 -0.000 -0.495) 8.695 21.692 ( 2.047 0.000 6.678) 6.985 23.460 ( 3.292 0.000 0.401) 3.316 24.481 ( -17.425 -0.000 3.381) 17.750 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 13.847 -8.958 -18.668) 24.910 1.868 ( 22.170 -7.371 -12.840) 26.659 2.283 ( 8.230 2.001 12.847) 15.388 2.597 ( 7.026 -12.317 8.992) 16.791 2.860 ( -10.280 2.433 7.063) 12.707 3.141 ( -3.973 0.927 -0.329) 4.093 3.285 ( 3.195 -1.627 0.327) 3.600 3.450 ( 1.297 5.838 -5.023) 7.810 3.544 ( 3.743 -0.931 -7.979) 8.863 3.710 ( 3.401 -2.834 -1.139) 4.572 3.853 ( 2.859 -1.557 -3.337) 4.662 4.007 ( 0.452 2.495 -1.288) 2.844 4.129 ( -3.695 -0.400 1.942) 4.194 4.303 ( -3.590 -6.609 -5.169) 9.126 4.438 ( 14.721 -4.781 16.320) 22.492 4.580 ( -5.194 -0.931 2.433) 5.811 4.671 ( -6.405 9.969 0.538) 11.862 4.948 ( 3.804 4.834 1.600) 6.356 5.081 ( 1.110 -1.996 2.379) 3.298 5.154 ( 4.055 -5.200 -2.840) 7.180 5.690 ( -3.121 -2.013 -3.495) 5.100 5.763 ( 7.108 -8.348 5.756) 12.383 5.878 ( 2.413 -9.121 3.753) 10.154 6.026 ( -7.035 1.817 -1.244) 7.371 6.229 ( 4.767 0.391 0.041) 4.784 6.506 ( -4.740 6.012 -3.129) 8.270 6.862 ( -4.804 -11.919 -8.647) 15.489 7.099 ( -7.500 -5.705 -1.590) 9.556 7.200 ( -9.036 -7.755 11.121) 16.293 7.449 ( -4.255 3.795 5.247) 7.748 7.841 ( 6.739 -4.964 -6.028) 10.314 8.486 ( -5.146 1.334 -5.418) 7.590 8.971 ( 5.845 -7.171 -5.979) 11.015 9.313 ( -3.375 -0.596 7.253) 8.022 9.836 ( 0.087 -1.033 12.178) 12.222 10.140 ( 8.141 5.090 -2.150) 9.839 10.226 ( -0.105 -2.727 3.262) 4.253 10.332 ( -4.667 2.743 -1.444) 5.603 10.548 ( -3.629 -9.492 1.071) 10.218 10.752 ( -2.934 0.971 -1.266) 3.340 10.919 ( 9.052 -12.320 5.452) 16.231 11.169 ( -4.340 -9.275 3.011) 10.673 12.072 ( 2.778 -8.754 -4.480) 10.219 12.297 ( 5.991 -5.657 0.022) 8.240 12.619 ( 2.143 -4.647 0.561) 5.148 13.378 ( 5.706 6.510 -1.212) 8.741 13.994 ( 5.538 7.292 -1.550) 9.287 14.622 ( -18.934 7.970 -9.709) 22.722 14.874 ( 7.114 -6.744 -0.377) 9.810 15.015 ( -1.697 10.324 4.873) 11.542 15.330 ( -8.696 -8.732 3.266) 12.749 16.028 ( 3.023 10.353 -1.267) 10.859 16.978 ( -1.795 -17.150 -1.173) 17.284 17.228 ( 0.938 -16.224 3.382) 16.600 17.892 ( 17.131 7.110 4.870) 19.176 18.440 ( 17.755 3.266 -21.726) 28.247 20.669 ( -8.067 2.972 0.053) 8.598 21.650 ( 0.488 7.482 5.699) 9.418 23.487 ( 3.853 0.369 0.606) 3.918 24.270 ( -15.793 7.944 1.081) 17.711 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 10.825 -6.659 -16.745) 21.022 2.197 ( 19.543 -11.643 -9.595) 24.689 2.395 ( 2.776 -4.363 10.194) 11.430 2.725 ( -3.753 -1.414 4.503) 6.030 2.939 ( 3.945 -9.908 8.402) 13.577 3.068 ( -6.055 2.866 1.496) 6.864 3.265 ( 3.640 4.832 0.538) 6.074 3.349 ( -5.698 4.510 3.599) 8.109 3.566 ( -0.429 -1.314 -8.408) 8.521 3.729 ( 4.627 2.982 -2.208) 5.931 3.782 ( -2.980 4.156 -2.914) 5.885 4.055 ( -1.681 1.460 6.349) 6.728 4.234 ( 12.238 -9.499 -7.413) 17.174 4.340 ( -2.657 -0.145 -2.327) 3.535 4.507 ( -5.546 1.265 -0.761) 5.739 4.546 ( -2.282 -4.413 -4.338) 6.596 4.728 ( 12.022 -7.557 11.026) 17.978 4.923 ( 7.124 2.059 4.028) 8.439 5.126 ( 1.349 -1.836 1.554) 2.758 5.287 ( 4.081 -5.458 -0.029) 6.815 5.670 ( -8.077 -1.539 -4.656) 9.449 5.863 ( 3.723 3.291 3.343) 5.989 5.910 ( -5.769 4.656 3.584) 8.234 6.143 ( 3.193 -11.010 6.236) 13.050 6.295 ( 3.898 3.840 -5.851) 8.010 6.417 ( 1.003 -8.625 -1.283) 8.778 7.076 ( -4.531 -16.341 -1.094) 16.993 7.154 ( -9.580 -10.130 -1.230) 13.997 7.344 ( -6.522 -8.989 2.346) 11.351 7.367 ( -1.827 0.025 4.179) 4.561 7.973 ( 6.383 -4.959 -3.842) 8.950 8.429 ( -5.231 -1.335 -4.074) 6.763 9.117 ( 1.039 -6.057 -4.208) 7.449 9.316 ( 0.113 0.098 8.976) 8.977 9.906 ( -2.205 -5.333 7.133) 9.175 10.043 ( 0.702 7.305 -4.269) 8.490 10.240 ( 4.322 1.518 1.102) 4.712 10.329 ( 5.070 -0.455 -3.366) 6.103 10.666 ( -3.371 -4.623 -1.186) 5.843 10.826 ( -6.102 -16.064 -1.877) 17.286 11.187 ( -11.458 -6.068 1.623) 13.066 11.359 ( 6.032 -21.977 7.740) 24.068 12.200 ( 0.998 -6.449 -4.269) 7.798 12.517 ( 1.771 -11.567 4.485) 12.532 12.751 ( 2.139 -8.048 0.576) 8.347 13.284 ( 7.909 8.848 -2.036) 12.041 13.853 ( 2.946 11.563 -0.630) 11.949 14.307 ( -14.450 10.091 -5.747) 18.538 14.792 ( 1.515 12.898 2.027) 13.144 15.082 ( 4.039 -5.598 0.633) 6.932 15.408 ( -8.752 -7.685 0.914) 11.683 15.872 ( 1.046 6.779 1.044) 6.939 17.298 ( 4.395 -15.538 -1.642) 16.230 17.624 ( 2.833 -22.596 9.219) 24.569 17.874 ( 14.422 7.894 3.993) 16.919 18.399 ( 6.348 6.336 -20.463) 22.342 20.547 ( -5.653 4.230 0.017) 7.060 21.472 ( -0.818 13.568 4.413) 14.291 23.511 ( 3.954 0.577 0.618) 4.043 24.004 ( -11.225 9.121 -0.640) 14.477 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 8.278 -9.051 -10.406) 16.085 2.451 ( -2.680 -5.462 1.124) 6.187 2.536 ( 14.198 -9.122 -3.745) 17.286 2.790 ( 1.902 -3.850 2.555) 4.996 2.939 ( -2.972 7.195 -0.890) 7.835 3.086 ( -2.470 -3.998 3.998) 6.170 3.208 ( -8.472 0.076 3.925) 9.338 3.289 ( 6.462 3.272 7.578) 10.483 3.527 ( -0.575 3.882 -1.602) 4.239 3.675 ( 1.597 2.917 -4.028) 5.223 3.693 ( -1.679 3.740 -5.035) 6.493 4.007 ( 2.643 4.601 4.239) 6.791 4.245 ( -0.388 7.775 0.661) 7.813 4.417 ( -2.785 4.530 -2.014) 5.686 4.464 ( 1.004 -10.869 -1.781) 11.059 4.743 ( 4.278 -13.311 -7.645) 15.935 4.948 ( 9.347 -8.182 0.304) 12.425 5.058 ( 6.857 -7.050 7.575) 12.414 5.178 ( 0.948 -2.755 1.636) 3.341 5.379 ( 0.192 -2.145 3.511) 4.118 5.585 ( -9.536 1.622 -1.459) 9.782 5.761 ( -5.189 4.807 3.999) 8.125 5.839 ( 3.778 5.564 -0.320) 6.733 6.074 ( -5.184 9.950 -0.295) 11.223 6.403 ( 7.598 -7.613 -3.136) 11.203 6.638 ( 5.663 -6.796 -1.233) 8.932 7.144 ( -11.661 -2.454 2.331) 12.143 7.338 ( 2.505 -1.073 5.400) 6.048 7.459 ( 2.814 -22.212 -2.570) 22.537 7.520 ( -5.590 -10.083 -1.895) 11.683 8.110 ( 1.846 -7.898 1.934) 8.338 8.434 ( -4.294 -4.728 -6.263) 8.945 9.166 ( -2.804 -1.942 -0.055) 3.412 9.366 ( 4.078 -1.032 8.177) 9.195 9.859 ( -9.818 5.078 -7.422) 13.314 10.038 ( 0.629 -5.604 2.684) 6.246 10.291 ( 12.772 1.072 1.894) 12.956 10.391 ( 5.290 -2.765 -3.073) 6.714 10.722 ( 0.616 -5.120 -3.619) 6.300 11.050 ( -11.292 -10.371 0.771) 15.351 11.195 ( -8.394 -8.656 3.239) 12.485 11.826 ( 5.650 -21.377 5.782) 22.855 12.316 ( -1.406 -6.707 -5.993) 9.103 12.748 ( -1.201 -16.582 4.049) 17.111 12.900 ( 1.131 -5.554 -0.353) 5.679 13.226 ( 8.071 2.889 -1.833) 8.766 13.655 ( -0.772 11.883 1.940) 12.064 14.029 ( -9.248 8.695 -3.644) 13.206 14.581 ( 4.187 13.861 1.967) 14.612 15.014 ( -4.703 12.339 -2.279) 13.401 15.546 ( -2.391 -13.358 0.918) 13.601 15.851 ( -3.097 -3.947 1.922) 5.372 17.433 ( 13.063 11.565 -0.966) 17.473 17.791 ( 9.845 8.385 13.285) 18.540 18.152 ( 8.261 -18.400 -4.532) 20.673 18.333 ( -10.201 -13.880 -12.265) 21.145 20.442 ( -2.203 3.959 -0.500) 4.559 21.199 ( -1.814 16.537 3.300) 16.960 23.533 ( 3.567 0.486 0.422) 3.625 23.790 ( -7.043 6.400 -0.825) 9.552 ======================= Grid point 334 (161/172) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 5.773 -9.699 -3.922) 11.949 2.515 ( -4.276 -5.773 0.590) 7.208 2.721 ( 2.015 9.986 0.105) 10.188 2.782 ( 4.258 -0.005 -1.730) 4.596 2.841 ( 2.531 -2.459 -1.337) 3.773 3.167 ( -3.471 -2.078 4.615) 6.137 3.209 ( -1.834 -8.460 2.350) 8.970 3.264 ( -1.183 2.224 2.856) 3.808 3.421 ( 0.703 6.869 0.403) 6.916 3.591 ( 0.091 2.295 -2.364) 3.295 3.731 ( 4.089 -4.374 -5.520) 8.144 3.871 ( 0.400 13.985 2.425) 14.200 4.165 ( 4.643 2.620 1.270) 5.481 4.300 ( -2.972 5.369 -1.122) 6.238 4.615 ( -5.084 -7.808 -0.433) 9.327 4.944 ( 0.508 -8.993 -2.540) 9.358 5.143 ( 6.649 -0.432 0.528) 6.684 5.187 ( 4.077 -2.521 -0.860) 4.870 5.293 ( 2.333 -7.474 3.683) 8.652 5.367 ( -5.124 0.865 4.320) 6.758 5.513 ( -3.164 0.900 -1.304) 3.539 5.676 ( -2.398 1.482 1.251) 3.084 5.735 ( 1.252 8.285 -0.028) 8.379 5.870 ( -4.652 5.957 -1.633) 7.733 6.554 ( 7.914 -2.418 -2.218) 8.568 6.701 ( 0.848 1.505 0.124) 1.732 7.085 ( -8.021 -1.223 -0.518) 8.130 7.431 ( 2.702 -4.618 3.565) 6.429 7.580 ( -2.077 -1.255 -1.966) 3.124 7.838 ( 8.358 -14.010 0.828) 16.334 8.270 ( -6.036 -9.035 4.769) 11.867 8.506 ( -0.729 -8.220 -7.631) 11.240 9.173 ( -2.172 -1.277 1.370) 2.868 9.427 ( 3.497 0.208 6.422) 7.316 9.669 ( -8.760 4.886 -7.302) 12.407 10.132 ( 1.638 -3.360 0.192) 3.743 10.374 ( 1.795 -1.205 0.540) 2.228 10.478 ( 14.370 1.051 -0.429) 14.415 10.852 ( 0.694 -6.889 2.069) 7.226 10.993 ( -7.878 0.766 -0.934) 7.970 11.394 ( -8.475 -17.590 -0.280) 19.528 12.161 ( 4.251 -9.043 3.917) 10.733 12.324 ( -1.775 3.183 -3.339) 4.942 12.921 ( 1.874 2.570 -0.577) 3.233 13.162 ( 4.713 -23.510 -1.498) 24.024 13.324 ( 0.324 -10.024 -0.910) 10.071 13.446 ( -5.343 7.882 3.744) 10.232 13.875 ( -1.917 2.525 -1.243) 3.406 14.397 ( 6.106 11.835 2.735) 13.595 14.683 ( -6.251 16.417 -3.346) 17.882 15.798 ( -1.737 -16.356 1.076) 16.483 15.927 ( -4.968 -7.397 0.234) 8.913 17.173 ( 6.081 23.833 1.413) 24.637 17.553 ( 7.308 25.957 1.324) 26.999 18.448 ( -3.010 -18.453 -4.689) 19.276 18.712 ( 2.054 -23.106 0.298) 23.198 20.376 ( 0.436 2.426 -0.694) 2.560 20.910 ( -2.479 13.867 1.968) 14.224 23.535 ( 1.216 2.369 0.034) 2.663 23.686 ( -2.384 0.104 -0.275) 2.402 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -0.516 12.245 1.656) 12.367 2.508 ( 0.692 7.054 -0.134) 7.089 2.598 ( -2.178 -7.046 0.973) 7.439 2.787 ( 2.757 -1.531 -1.563) 3.520 2.878 ( -1.120 4.099 0.327) 4.262 3.179 ( 4.608 -1.188 2.853) 5.549 3.258 ( -3.707 -1.319 -1.366) 4.165 3.360 ( -0.096 -2.075 -0.201) 2.087 3.405 ( -0.232 -11.648 -0.279) 11.654 3.554 ( 3.278 15.532 -1.015) 15.907 3.656 ( -0.811 -4.366 0.622) 4.484 3.845 ( 1.537 -5.758 -2.801) 6.585 4.156 ( 0.574 3.244 0.349) 3.313 4.218 ( 1.023 0.798 0.347) 1.343 4.646 ( -6.167 -1.117 0.270) 6.273 5.058 ( 4.049 0.062 0.539) 4.085 5.078 ( 0.283 7.594 4.879) 9.030 5.172 ( -5.446 6.103 -1.574) 8.330 5.229 ( 1.232 11.217 1.316) 11.361 5.384 ( -0.820 8.376 -5.517) 10.063 5.474 ( 1.026 -6.199 -0.601) 6.312 5.648 ( -0.134 -1.543 -0.048) 1.549 5.725 ( -1.345 -7.052 1.146) 7.270 5.850 ( -0.730 -4.532 1.099) 4.720 6.564 ( 4.525 7.510 -0.818) 8.806 6.650 ( -1.912 2.465 0.522) 3.163 7.092 ( -2.887 -4.883 -1.132) 5.784 7.521 ( 2.551 -1.124 1.744) 3.288 7.554 ( -0.896 1.096 -1.049) 1.762 8.059 ( 7.132 -3.523 1.736) 8.142 8.312 ( -6.821 -1.612 0.921) 7.069 8.645 ( 1.640 -6.208 -3.200) 7.174 9.187 ( -0.894 -1.728 0.140) 1.950 9.387 ( -2.114 6.535 3.604) 7.757 9.583 ( -0.533 -1.148 -3.492) 3.714 10.181 ( 4.543 0.599 -2.743) 5.341 10.301 ( -7.612 6.487 2.355) 10.275 10.592 ( 16.133 0.714 1.176) 16.192 10.797 ( -9.780 3.248 3.437) 10.863 11.134 ( 3.185 -13.291 -3.258) 14.050 11.672 ( -5.372 -20.789 -0.577) 21.479 12.161 ( 1.667 11.020 0.169) 11.147 12.191 ( -0.830 11.221 0.306) 11.256 12.858 ( 0.501 5.792 0.467) 5.832 13.281 ( -0.281 -1.260 -2.661) 2.958 13.376 ( -0.921 4.567 2.009) 5.073 13.663 ( 1.979 -10.307 -0.094) 10.496 13.925 ( -0.881 -9.691 -0.227) 9.734 14.281 ( 7.166 2.307 1.899) 7.764 14.487 ( -5.498 -3.437 -1.475) 6.649 16.017 ( -2.028 -5.192 -1.079) 5.677 16.094 ( -0.810 -18.133 0.848) 18.171 16.767 ( -0.587 22.960 1.116) 22.995 17.100 ( 0.435 27.438 -0.259) 27.443 18.639 ( -0.029 -2.403 -1.325) 2.744 19.052 ( 2.841 -11.859 0.631) 12.211 20.371 ( 1.222 -1.682 -0.004) 2.079 20.738 ( -2.236 2.149 0.072) 3.102 23.482 ( -0.492 2.951 -0.044) 2.992 23.735 ( 0.454 -5.587 -0.025) 5.606 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 18.039 0.000) 18.039 2.342 ( -0.000 11.507 0.000) 11.507 2.622 ( 0.000 6.763 -0.000) 6.763 2.784 ( -0.000 4.876 0.000) 4.876 2.875 ( -0.000 -6.226 0.000) 6.226 3.212 ( 0.000 7.081 0.000) 7.081 3.220 ( -0.000 0.544 -0.000) 0.544 3.340 ( -0.000 0.725 0.000) 0.725 3.461 ( 0.000 -7.493 0.000) 7.493 3.623 ( 0.000 -12.302 0.000) 12.302 3.791 ( 0.000 -6.821 -0.000) 6.821 3.968 ( -0.000 -8.084 -0.000) 8.084 4.111 ( 0.000 1.729 0.000) 1.729 4.253 ( -0.000 -3.960 0.000) 3.960 4.563 ( -0.000 8.965 0.000) 8.965 4.870 ( -0.000 18.442 -0.000) 18.442 4.907 ( 0.000 11.603 0.000) 11.603 4.940 ( -0.000 14.251 0.000) 14.251 5.140 ( 0.000 -0.524 0.000) 0.524 5.288 ( -0.000 3.050 -0.000) 3.050 5.559 ( 0.000 -3.315 0.000) 3.315 5.749 ( 0.000 -7.346 -0.000) 7.346 5.847 ( -0.000 -6.631 0.000) 6.631 5.957 ( -0.000 -7.139 -0.000) 7.139 6.409 ( 0.000 10.528 -0.000) 10.528 6.565 ( -0.000 6.759 0.000) 6.759 7.190 ( -0.000 -6.939 0.000) 6.939 7.482 ( -0.000 4.221 0.000) 4.221 7.556 ( -0.000 0.925 0.000) 0.925 8.074 ( 0.000 5.275 0.000) 5.275 8.243 ( -0.000 6.419 0.000) 6.419 8.698 ( 0.000 0.198 0.000) 0.198 9.209 ( 0.000 0.960 -0.000) 0.960 9.274 ( -0.000 2.317 0.000) 2.317 9.607 ( -0.000 -0.875 0.000) 0.875 10.038 ( 0.000 15.067 0.000) 15.067 10.222 ( -0.000 -0.391 0.000) 0.391 10.682 ( -0.000 1.724 0.000) 1.724 10.696 ( 0.000 -0.462 0.000) 0.462 11.380 ( 0.000 -12.112 0.000) 12.112 11.860 ( 0.000 22.799 0.000) 22.799 11.926 ( 0.000 11.684 0.000) 11.684 12.054 ( -0.000 -19.956 0.000) 19.956 12.721 ( 0.000 10.036 0.000) 10.036 13.202 ( 0.000 12.829 0.000) 12.829 13.318 ( -0.000 6.997 0.000) 6.997 13.506 ( 0.000 11.346 0.000) 11.346 14.143 ( -0.000 -15.277 0.000) 15.277 14.614 ( -0.000 -24.236 -0.000) 24.236 14.615 ( 0.000 -12.578 0.000) 12.578 15.966 ( 0.000 12.955 0.000) 12.955 16.369 ( -0.000 -5.395 0.000) 5.395 16.519 ( 0.000 0.429 0.000) 0.429 16.690 ( 0.000 10.622 0.000) 10.622 18.480 ( 0.000 19.442 0.000) 19.442 19.143 ( 0.000 3.198 0.000) 3.198 20.462 ( -0.000 -7.703 0.000) 7.703 20.820 ( 0.000 -11.612 0.000) 11.612 23.439 ( -0.000 1.735 0.000) 1.735 23.874 ( -0.000 -9.930 0.000) 9.930 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 19.695 0.000 -15.954) 25.346 1.940 ( 18.909 0.000 -16.891) 25.354 2.468 ( 11.310 0.000 5.186) 12.442 2.500 ( 3.988 0.000 18.640) 19.062 2.832 ( -8.895 -0.000 6.952) 11.289 3.084 ( -11.254 -0.000 11.448) 16.053 3.297 ( 7.564 0.000 -5.499) 9.352 3.547 ( 0.698 0.000 -3.452) 3.522 3.554 ( 0.003 0.000 -13.520) 13.520 3.655 ( 7.444 0.000 -3.548) 8.246 3.883 ( 5.583 0.000 -2.047) 5.947 4.006 ( -10.943 -0.000 -4.365) 11.781 4.080 ( -3.052 -0.000 4.829) 5.713 4.225 ( 6.072 0.000 -2.171) 6.449 4.502 ( -6.690 -0.000 0.788) 6.737 4.586 ( 13.468 0.000 8.740) 16.056 4.745 ( -4.254 -0.000 10.311) 11.154 5.051 ( 3.892 0.000 2.854) 4.827 5.057 ( 4.124 0.000 -0.397) 4.143 5.115 ( 4.532 0.000 -5.769) 7.337 5.615 ( -6.849 -0.000 -6.364) 9.350 5.734 ( 6.026 0.000 9.169) 10.972 5.839 ( 6.730 0.000 0.552) 6.752 5.986 ( -7.816 -0.000 1.828) 8.027 6.249 ( -2.372 -0.000 1.129) 2.627 6.510 ( -6.710 -0.000 -2.170) 7.052 6.684 ( -4.571 -0.000 -11.275) 12.166 6.984 ( -9.953 -0.000 2.253) 10.204 7.097 ( -4.988 -0.000 8.201) 9.599 7.475 ( -1.677 -0.000 5.027) 5.300 7.831 ( 7.140 0.000 -5.276) 8.878 8.443 ( -5.432 -0.000 -7.320) 9.115 8.947 ( 7.908 0.000 -7.735) 11.062 9.288 ( -4.125 -0.000 8.263) 9.235 9.865 ( 0.650 0.000 8.469) 8.494 10.153 ( 2.969 0.000 2.625) 3.963 10.275 ( 3.253 0.000 3.974) 5.136 10.318 ( -10.762 -0.000 6.208) 12.425 10.409 ( -1.467 -0.000 -2.777) 3.141 10.750 ( -2.669 -0.000 -0.658) 2.749 10.920 ( -0.039 -0.000 1.234) 1.235 11.052 ( -1.305 -0.000 4.795) 4.969 12.013 ( 8.609 0.000 -4.701) 9.809 12.323 ( 10.096 0.000 0.688) 10.120 12.603 ( 3.364 0.000 0.552) 3.409 13.466 ( 3.241 0.000 -0.812) 3.341 14.104 ( 5.520 0.000 -2.313) 5.985 14.539 ( -14.894 -0.000 -8.665) 17.232 14.866 ( 7.392 0.000 -0.323) 7.399 15.130 ( -3.920 -0.000 -0.189) 3.925 15.167 ( -5.470 -0.000 7.918) 9.624 16.168 ( 3.669 0.000 -2.104) 4.230 16.776 ( -3.460 -0.000 -0.515) 3.498 17.062 ( -0.692 -0.000 0.529) 0.871 18.087 ( 14.469 0.000 2.124) 14.624 18.605 ( 20.390 0.000 -16.463) 26.207 20.627 ( -8.428 -0.000 0.442) 8.439 21.728 ( -0.633 -0.000 4.855) 4.896 23.528 ( 4.811 0.000 1.053) 4.925 24.208 ( -16.885 -0.000 0.184) 16.886 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 16.383 -2.812 -17.439) 24.092 2.129 ( 17.692 -9.483 -12.441) 23.616 2.436 ( -0.119 3.875 12.221) 12.821 2.720 ( 4.276 -4.110 6.813) 9.033 2.789 ( -3.918 -5.634 10.706) 12.716 3.050 ( -5.526 -0.075 7.043) 8.952 3.349 ( 3.579 0.118 1.825) 4.019 3.406 ( -3.318 7.211 -6.122) 10.025 3.553 ( 1.964 0.134 -8.865) 9.081 3.754 ( 2.742 -3.090 -2.494) 4.826 3.830 ( -2.188 3.943 0.503) 4.537 4.028 ( -1.851 -5.707 -1.686) 6.232 4.085 ( -2.981 -5.102 -1.805) 6.178 4.323 ( 5.990 -2.093 1.235) 6.464 4.466 ( -4.136 -0.703 0.785) 4.268 4.545 ( -0.217 4.425 -4.289) 6.166 4.814 ( 14.612 1.145 8.705) 17.047 5.045 ( 7.075 3.439 1.514) 8.011 5.122 ( 2.721 -1.143 0.725) 3.039 5.216 ( 5.187 -6.446 -1.501) 8.409 5.558 ( -8.040 -1.633 -4.742) 9.476 5.891 ( -4.815 -1.559 5.503) 7.476 5.933 ( 0.973 -3.992 6.096) 7.351 5.949 ( 3.552 -8.029 2.016) 9.008 6.246 ( -4.370 -6.953 -1.000) 8.273 6.409 ( -2.183 6.212 -1.691) 6.799 6.736 ( -4.573 -12.380 -9.642) 16.345 6.949 ( -11.597 -4.943 4.810) 13.493 7.139 ( -3.333 -6.173 3.505) 7.842 7.447 ( 1.062 3.563 3.528) 5.126 7.930 ( 7.016 -5.157 -4.008) 9.586 8.375 ( -5.343 0.767 -5.346) 7.597 9.033 ( 5.024 -4.282 -6.213) 9.065 9.306 ( -1.317 -2.957 7.538) 8.204 9.865 ( -0.692 1.061 6.301) 6.427 10.134 ( -8.660 7.731 1.015) 11.653 10.236 ( 1.998 -3.549 0.448) 4.097 10.335 ( 2.361 -3.857 2.669) 5.251 10.515 ( 0.229 -8.401 -1.083) 8.473 10.691 ( -2.869 1.238 -0.157) 3.129 10.986 ( -6.788 -5.524 -0.592) 8.772 11.112 ( 0.633 -11.791 4.492) 12.634 12.120 ( 3.918 -4.333 -0.853) 5.903 12.437 ( 8.686 -3.163 1.859) 9.430 12.667 ( 3.103 -4.005 0.559) 5.097 13.443 ( 3.126 4.523 -1.108) 5.608 14.062 ( 4.110 8.299 -2.539) 9.602 14.350 ( -10.589 7.494 -4.767) 13.820 14.957 ( 3.260 0.416 -0.704) 3.361 15.042 ( 2.530 1.303 3.406) 4.439 15.218 ( -6.830 -6.283 2.102) 9.516 16.061 ( 1.595 11.227 -0.809) 11.368 16.947 ( -1.395 -19.262 -0.911) 19.334 17.241 ( -0.752 -19.304 2.480) 19.477 18.133 ( 11.855 7.113 1.149) 13.873 18.638 ( 15.186 9.098 -12.652) 21.759 20.549 ( -6.781 1.730 0.453) 7.013 21.662 ( -1.272 7.629 3.562) 8.515 23.564 ( 5.278 0.866 1.267) 5.497 24.031 ( -13.620 5.160 -1.155) 14.611 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 11.716 -4.374 -13.524) 18.420 2.357 ( -4.357 -2.752 2.783) 5.856 2.470 ( 11.689 -9.245 -1.949) 15.030 2.778 ( 5.995 -0.875 6.525) 8.904 2.944 ( -8.345 -8.090 5.389) 12.811 3.010 ( -0.420 1.739 0.119) 1.793 3.224 ( -5.962 7.453 -1.532) 9.666 3.387 ( 4.337 0.388 8.685) 9.715 3.529 ( 0.063 1.188 -8.396) 8.480 3.749 ( 0.533 4.007 -0.217) 4.048 3.795 ( 3.923 3.408 -1.277) 5.351 4.060 ( 0.094 -0.452 4.192) 4.218 4.201 ( -6.327 -9.034 -5.846) 12.483 4.320 ( -6.292 -3.741 2.801) 7.838 4.439 ( -2.413 1.391 0.188) 2.791 4.651 ( 18.335 -4.342 -8.427) 20.640 4.904 ( 5.306 -2.429 3.729) 6.926 5.078 ( 9.444 -0.109 1.206) 9.521 5.160 ( 2.588 -1.047 -0.605) 2.857 5.338 ( 0.024 -3.436 0.525) 3.476 5.513 ( -7.529 -0.724 1.071) 7.639 5.800 ( -6.691 3.140 5.831) 9.414 5.913 ( -3.521 2.509 -1.414) 4.548 6.198 ( 0.167 0.507 6.346) 6.369 6.275 ( 1.607 -5.577 -5.260) 7.833 6.505 ( 7.643 -13.944 -1.487) 15.970 6.973 ( -11.502 -7.533 9.733) 16.846 7.009 ( -2.737 -22.923 -10.228) 25.250 7.266 ( -3.388 -10.917 0.158) 11.432 7.399 ( 2.063 3.465 3.017) 5.037 8.072 ( 7.059 -4.365 -0.671) 8.327 8.320 ( -5.872 -1.330 -4.433) 7.476 9.106 ( -0.307 -2.817 -1.748) 3.329 9.399 ( 5.079 -2.888 6.656) 8.857 9.838 ( -7.693 2.475 -1.358) 8.195 9.977 ( -2.872 0.483 0.402) 2.940 10.277 ( -1.609 -2.529 0.347) 3.017 10.470 ( 10.877 -3.170 -1.017) 11.375 10.640 ( 1.685 -4.928 -2.644) 5.841 10.744 ( -3.991 -10.301 0.251) 11.050 11.008 ( -11.127 -7.450 1.927) 13.529 11.475 ( 4.123 -22.369 4.842) 23.255 12.206 ( 1.441 -4.098 -2.385) 4.956 12.557 ( 1.071 -6.110 2.800) 6.805 12.782 ( 1.220 -6.599 0.195) 6.714 13.375 ( 4.302 5.714 -1.219) 7.256 13.888 ( 1.930 13.103 -1.103) 13.290 14.113 ( -7.520 9.494 -2.307) 12.329 14.843 ( 3.961 11.170 1.257) 11.919 15.087 ( -4.120 1.184 -0.122) 4.289 15.325 ( -1.473 -10.488 0.644) 10.611 15.885 ( 0.158 7.838 0.587) 7.861 17.341 ( 1.827 -23.481 -0.648) 23.561 17.678 ( -0.644 -27.699 6.131) 28.377 18.040 ( 6.508 10.757 -0.163) 12.573 18.470 ( 8.953 17.605 -10.159) 22.210 20.472 ( -3.595 2.221 0.099) 4.227 21.466 ( -1.432 13.831 2.338) 14.100 23.587 ( 5.111 1.460 1.122) 5.433 23.834 ( -9.201 5.969 -1.471) 11.066 ======================= Grid point 345 (167/172) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 7.157 -7.676 -6.443) 12.315 2.374 ( -6.146 -5.369 3.388) 8.836 2.727 ( 9.124 -8.570 -3.159) 12.910 2.841 ( 1.823 0.065 1.818) 2.575 2.915 ( -0.044 6.864 -0.170) 6.867 3.049 ( -2.212 -6.241 0.164) 6.624 3.087 ( -6.731 -0.914 2.861) 7.371 3.369 ( 0.029 6.626 4.915) 8.250 3.516 ( 0.093 0.381 -2.543) 2.573 3.661 ( -0.393 7.183 -1.023) 7.266 3.731 ( 4.713 2.623 -1.423) 5.578 4.064 ( 1.857 4.203 1.683) 4.893 4.225 ( -1.265 0.528 -0.588) 1.491 4.371 ( -1.290 4.398 -0.321) 4.594 4.424 ( -3.641 -9.406 0.323) 10.091 4.806 ( 4.750 -5.743 -3.764) 8.350 5.093 ( 6.271 -11.409 2.477) 13.253 5.177 ( 4.089 -2.422 0.705) 4.805 5.201 ( 4.862 -2.192 -5.157) 7.419 5.328 ( -9.625 -0.502 4.174) 10.503 5.482 ( -1.776 -0.205 1.303) 2.212 5.727 ( -1.455 3.492 5.997) 7.090 5.836 ( -2.354 2.617 -4.976) 6.095 6.013 ( -1.327 12.581 0.618) 12.666 6.495 ( 3.898 -9.161 -0.444) 9.966 6.715 ( 4.457 -3.905 -2.459) 6.415 6.987 ( -7.870 -2.939 2.439) 8.748 7.391 ( 1.357 -2.338 2.059) 3.399 7.449 ( -1.876 -10.986 -0.664) 11.165 7.493 ( 1.581 -27.903 -1.341) 27.980 8.169 ( 3.034 -1.342 3.835) 5.071 8.335 ( -3.889 -7.036 -5.412) 9.691 9.136 ( -1.053 -1.736 0.367) 2.063 9.487 ( 6.352 0.001 7.117) 9.540 9.669 ( -8.735 5.199 -7.189) 12.450 10.053 ( 0.407 -6.373 0.741) 6.428 10.318 ( -2.028 -3.287 0.404) 3.884 10.618 ( 17.018 -1.616 -2.827) 17.326 10.737 ( 0.960 -6.097 1.032) 6.258 10.861 ( -12.843 -7.139 0.073) 14.694 11.103 ( -3.784 -10.291 1.351) 11.047 11.916 ( 2.414 -21.957 2.901) 22.279 12.280 ( -0.470 -3.760 -2.785) 4.703 12.753 ( -0.083 -17.615 1.771) 17.704 12.899 ( -0.440 -5.548 -0.459) 5.585 13.322 ( 3.970 3.029 -1.057) 5.104 13.638 ( -1.570 15.192 1.030) 15.308 13.925 ( -2.563 5.833 -1.245) 6.491 14.665 ( 4.383 12.887 1.283) 13.672 14.910 ( -5.492 13.088 -1.534) 14.276 15.534 ( -0.101 -13.131 0.385) 13.137 15.821 ( -1.248 -0.904 0.675) 1.682 17.582 ( 5.161 10.801 -0.277) 11.974 17.959 ( 4.350 -4.013 15.361) 16.462 18.123 ( -5.458 2.971 -16.150) 17.304 18.268 ( 3.832 -20.846 -0.538) 21.202 20.416 ( -0.758 2.202 -0.195) 2.337 21.183 ( -1.112 16.989 1.204) 17.067 23.599 ( 4.342 2.204 0.719) 4.922 23.684 ( -5.622 3.346 -0.929) 6.608 ======================= Grid point 346 (168/172) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.000 -10.144 0.000) 10.144 2.458 ( -0.000 -5.447 0.000) 5.447 2.720 ( -0.000 13.285 0.000) 13.285 2.819 ( 0.000 2.451 0.000) 2.451 2.881 ( -0.000 -4.450 0.000) 4.450 3.146 ( 0.000 -5.883 0.000) 5.883 3.200 ( -0.000 -10.842 0.000) 10.842 3.246 ( -0.000 5.799 0.000) 5.799 3.429 ( -0.000 7.336 0.000) 7.336 3.581 ( -0.000 -0.053 0.000) 0.053 3.773 ( 0.000 -3.529 0.000) 3.529 3.882 ( -0.000 16.042 0.000) 16.042 4.212 ( -0.000 1.633 0.000) 1.633 4.275 ( -0.000 5.002 0.000) 5.002 4.552 ( -0.000 -6.448 -0.000) 6.448 4.950 ( -0.000 -8.373 -0.000) 8.373 5.194 ( -0.000 1.282 0.000) 1.282 5.226 ( -0.000 2.847 -0.000) 2.847 5.314 ( 0.000 -1.932 0.000) 1.932 5.335 ( -0.000 -10.493 -0.000) 10.493 5.485 ( -0.000 1.514 0.000) 1.514 5.659 ( -0.000 2.319 -0.000) 2.319 5.748 ( -0.000 9.299 -0.000) 9.299 5.819 ( -0.000 3.430 0.000) 3.430 6.622 ( -0.000 -3.636 0.000) 3.636 6.711 ( 0.000 5.001 0.000) 5.001 7.005 ( -0.000 -3.141 0.000) 3.141 7.465 ( -0.000 -4.825 0.000) 4.825 7.558 ( -0.000 -2.170 0.000) 2.170 7.927 ( 0.000 -17.018 0.000) 17.018 8.218 ( -0.000 -3.874 0.000) 3.874 8.480 ( -0.000 -10.835 0.000) 10.835 9.158 ( -0.000 -1.335 -0.000) 1.335 9.503 ( -0.000 6.236 -0.000) 6.236 9.549 ( 0.000 -0.990 0.000) 0.990 10.154 ( -0.000 -4.152 0.000) 4.152 10.342 ( -0.000 0.186 -0.000) 0.186 10.747 ( 0.000 2.468 -0.000) 2.468 10.756 ( -0.000 0.486 0.000) 0.486 10.925 ( -0.000 -10.477 0.000) 10.477 11.318 ( -0.000 -16.190 0.000) 16.190 12.218 ( 0.000 -8.683 0.000) 8.683 12.288 ( -0.000 2.694 -0.000) 2.694 12.933 ( -0.000 1.611 0.000) 1.611 13.199 ( -0.000 -29.520 0.000) 29.520 13.352 ( -0.000 -4.026 0.000) 4.026 13.380 ( 0.000 10.173 -0.000) 10.173 13.862 ( -0.000 0.623 0.000) 0.623 14.493 ( -0.000 7.901 0.000) 7.901 14.583 ( 0.000 19.465 0.000) 19.465 15.787 ( -0.000 -15.934 -0.000) 15.934 15.886 ( -0.000 -6.439 0.000) 6.439 17.226 ( -0.000 26.051 0.000) 26.051 17.614 ( -0.000 28.930 0.000) 28.930 18.410 ( -0.000 -21.055 0.000) 21.055 18.736 ( -0.000 -24.115 0.000) 24.115 20.379 ( -0.000 1.577 0.000) 1.577 20.891 ( -0.000 14.467 0.000) 14.467 23.545 ( -0.000 4.381 0.000) 4.381 23.665 ( -0.000 -2.469 0.000) 2.469 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 21.921 0.000 -14.615) 26.347 2.119 ( 12.618 0.000 -14.082) 18.908 2.532 ( -11.216 -0.000 15.186) 18.879 2.572 ( -3.991 -0.000 6.839) 7.918 2.831 ( 5.657 0.000 5.965) 8.221 3.048 ( 0.724 0.000 14.048) 14.067 3.375 ( 4.689 0.000 -0.189) 4.693 3.458 ( -3.811 -0.000 -14.668) 15.155 3.515 ( -2.435 -0.000 -3.120) 3.958 3.744 ( 5.520 0.000 -3.369) 6.467 3.845 ( -6.802 -0.000 -1.814) 7.040 3.887 ( -2.160 -0.000 -2.093) 3.008 4.057 ( -1.239 -0.000 3.896) 4.089 4.339 ( -4.275 -0.000 5.125) 6.674 4.423 ( -3.455 -0.000 0.406) 3.478 4.630 ( 14.539 0.000 -5.623) 15.588 4.960 ( 9.886 0.000 2.771) 10.267 5.116 ( 2.135 0.000 3.963) 4.502 5.149 ( 2.860 0.000 -5.760) 6.431 5.182 ( 9.294 0.000 -0.071) 9.294 5.487 ( -4.307 -0.000 0.704) 4.364 5.825 ( 2.320 0.000 3.982) 4.609 5.861 ( -9.223 -0.000 4.861) 10.426 5.964 ( 6.289 0.000 2.914) 6.931 6.086 ( -15.887 -0.000 -2.468) 16.077 6.463 ( 0.770 0.000 -0.190) 0.793 6.582 ( -1.348 -0.000 -9.936) 10.027 6.825 ( -10.963 -0.000 6.225) 12.607 7.077 ( -1.259 -0.000 2.075) 2.427 7.502 ( 2.025 0.000 2.410) 3.148 7.917 ( 5.262 0.000 -2.930) 6.022 8.333 ( -4.275 -0.000 -4.598) 6.278 9.026 ( 5.612 0.000 -6.606) 8.668 9.266 ( -2.408 -0.000 6.217) 6.667 9.914 ( 3.098 0.000 2.202) 3.801 10.144 ( -11.617 -0.000 4.806) 12.572 10.209 ( 2.496 0.000 3.048) 3.940 10.349 ( -4.545 -0.000 -2.458) 5.167 10.398 ( 7.127 0.000 5.486) 8.994 10.684 ( -3.012 -0.000 -0.575) 3.066 10.928 ( -10.915 -0.000 -2.155) 11.126 10.958 ( 2.507 0.000 0.696) 2.601 12.122 ( 4.962 0.000 0.485) 4.986 12.496 ( 8.279 0.000 1.348) 8.388 12.658 ( 2.797 0.000 0.467) 2.835 13.495 ( 1.087 0.000 -0.813) 1.357 14.166 ( 3.531 0.000 -2.502) 4.328 14.355 ( -5.583 -0.000 -2.444) 6.095 14.960 ( 4.195 0.000 -0.711) 4.255 15.077 ( -2.284 -0.000 0.301) 2.304 15.132 ( -2.573 -0.000 4.046) 4.795 16.204 ( 1.789 0.000 -1.241) 2.177 16.724 ( -2.480 -0.000 -0.349) 2.504 17.057 ( -0.293 -0.000 0.362) 0.466 18.286 ( 9.358 0.000 -0.005) 9.358 18.808 ( 11.213 0.000 -7.471) 13.474 20.512 ( -5.742 -0.000 0.458) 5.761 21.727 ( -1.237 -0.000 2.389) 2.690 23.623 ( 6.386 0.000 1.746) 6.620 23.965 ( -12.816 -0.000 -1.778) 12.939 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 13.002 1.434 -12.384) 18.014 2.292 ( 3.076 -3.625 -2.236) 5.254 2.410 ( -1.373 -2.701 4.926) 5.783 2.697 ( -8.570 -11.688 5.859) 15.633 2.868 ( 6.180 1.891 4.961) 8.147 3.056 ( 0.204 3.797 4.127) 5.611 3.315 ( -3.154 6.767 -5.071) 9.026 3.424 ( 2.952 -0.692 5.512) 6.291 3.521 ( -0.983 -1.301 -7.215) 7.397 3.787 ( 2.358 -0.648 -0.554) 2.507 3.832 ( 2.589 -1.801 0.820) 3.259 3.933 ( -6.578 -8.696 -4.549) 11.815 4.066 ( 0.400 -0.707 2.585) 2.710 4.261 ( -7.520 2.074 2.333) 8.142 4.420 ( -1.549 -1.341 0.172) 2.056 4.763 ( 19.665 -0.117 -3.092) 19.907 4.955 ( -0.631 3.649 0.037) 3.703 5.146 ( 3.828 0.253 -1.130) 3.999 5.170 ( 3.808 -1.185 -1.596) 4.296 5.253 ( -3.823 -3.216 -1.849) 5.327 5.498 ( 3.812 0.384 6.108) 7.210 5.790 ( -5.752 0.779 4.087) 7.099 5.891 ( -9.255 2.506 -2.195) 9.836 5.998 ( 1.683 -14.279 1.349) 14.441 6.198 ( 0.719 -14.773 1.116) 14.832 6.421 ( 1.603 3.991 -0.381) 4.318 6.656 ( -0.502 -11.101 -6.255) 12.752 6.808 ( -7.182 -4.827 4.284) 9.656 7.114 ( -1.004 -4.731 0.720) 4.889 7.486 ( 1.478 3.524 1.211) 4.008 8.009 ( 3.514 -6.389 -1.274) 7.402 8.285 ( -2.899 1.346 -2.284) 3.928 9.065 ( 1.523 -1.719 -2.490) 3.388 9.334 ( 0.921 -7.049 2.849) 7.658 9.894 ( 2.145 5.834 2.444) 6.680 9.996 ( -7.254 5.353 -0.296) 9.020 10.240 ( -1.127 0.067 0.577) 1.268 10.361 ( 0.157 -8.830 0.730) 8.861 10.582 ( 7.227 -7.076 0.321) 10.119 10.676 ( 0.859 -1.118 1.543) 2.090 10.804 ( -11.643 -1.755 -2.558) 12.049 11.162 ( 1.570 -16.492 1.578) 16.642 12.168 ( 1.806 -1.667 0.177) 2.464 12.541 ( 3.036 0.313 0.878) 3.176 12.706 ( 1.269 -3.324 0.203) 3.564 13.470 ( 0.943 3.092 -0.485) 3.269 14.102 ( 2.020 8.761 -1.744) 9.158 14.231 ( -3.367 8.696 -0.503) 9.338 14.999 ( 2.796 0.543 -0.686) 2.930 15.069 ( -1.939 3.068 1.814) 4.057 15.154 ( -1.125 -7.660 0.466) 7.756 16.073 ( 0.394 11.685 -0.298) 11.696 16.928 ( -0.536 -20.862 -0.347) 20.872 17.236 ( -0.520 -19.497 0.832) 19.522 18.274 ( 4.833 7.886 -0.036) 9.249 18.771 ( 5.576 10.339 -3.835) 12.357 20.470 ( -2.821 0.783 0.207) 2.935 21.654 ( -0.776 7.711 1.176) 7.839 23.665 ( 6.234 1.590 1.648) 6.641 23.839 ( -9.114 3.277 -1.805) 9.852 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 -2.618 -0.000) 2.618 2.277 ( -0.000 -1.777 0.000) 1.777 2.596 ( 0.000 -10.289 -0.000) 10.289 2.856 ( -0.000 -8.875 0.000) 8.875 2.877 ( 0.000 1.317 0.000) 1.317 2.991 ( -0.000 1.114 -0.000) 1.114 3.162 ( -0.000 8.600 0.000) 8.600 3.473 ( 0.000 -2.676 0.000) 2.676 3.481 ( -0.000 4.241 -0.000) 4.241 3.761 ( -0.000 3.796 -0.000) 3.796 3.845 ( 0.000 5.142 0.000) 5.142 4.073 ( -0.000 -5.390 0.000) 5.390 4.111 ( -0.000 -7.701 -0.000) 7.701 4.260 ( -0.000 -5.980 0.000) 5.980 4.421 ( -0.000 1.171 0.000) 1.171 4.835 ( 0.000 4.791 -0.000) 4.791 4.938 ( -0.000 -7.667 0.000) 7.667 5.173 ( -0.000 -0.731 -0.000) 0.731 5.218 ( -0.000 -0.665 -0.000) 0.665 5.245 ( -0.000 -1.877 0.000) 1.877 5.498 ( -0.000 1.976 0.000) 1.976 5.767 ( -0.000 0.736 -0.000) 0.736 5.828 ( -0.000 0.139 0.000) 0.139 6.218 ( -0.000 9.845 -0.000) 9.845 6.289 ( -0.000 -15.520 0.000) 15.520 6.577 ( -0.000 -13.791 -0.000) 13.791 6.882 ( -0.000 -5.502 -0.000) 5.502 6.965 ( -0.000 -26.185 0.000) 26.185 7.239 ( -0.000 -10.174 -0.000) 10.174 7.427 ( -0.000 3.244 0.000) 3.244 8.161 ( -0.000 -8.418 0.000) 8.418 8.229 ( -0.000 2.829 0.000) 2.829 9.099 ( -0.000 -1.965 -0.000) 1.965 9.481 ( -0.000 -6.178 0.000) 6.178 9.741 ( -0.000 8.919 0.000) 8.919 9.959 ( -0.000 -3.047 0.000) 3.047 10.254 ( -0.000 -2.568 -0.000) 2.568 10.574 ( -0.000 -13.094 0.000) 13.094 10.683 ( 0.000 -3.288 -0.000) 3.288 10.684 ( -0.000 0.046 0.000) 0.046 10.904 ( -0.000 -11.527 0.000) 11.527 11.520 ( -0.000 -22.499 0.000) 22.499 12.214 ( -0.000 -3.044 0.000) 3.044 12.572 ( -0.000 -4.198 0.000) 4.198 12.791 ( -0.000 -5.731 0.000) 5.731 13.407 ( -0.000 4.368 0.000) 4.368 13.903 ( -0.000 14.092 0.000) 14.092 14.047 ( -0.000 9.336 0.000) 9.336 14.901 ( -0.000 11.083 0.000) 11.083 15.020 ( 0.000 2.613 0.000) 2.613 15.325 ( -0.000 -10.940 0.000) 10.940 15.887 ( -0.000 8.247 0.000) 8.247 17.354 ( -0.000 -25.812 0.000) 25.812 17.681 ( -0.000 -29.358 0.000) 29.358 18.093 ( -0.000 13.814 0.000) 13.814 18.526 ( -0.000 18.975 0.000) 18.975 20.442 ( -0.000 1.326 0.000) 1.326 21.458 ( -0.000 13.961 0.000) 13.961 23.667 ( -0.000 1.879 -0.000) 1.879 23.720 ( 0.000 4.783 0.000) 4.783 ======================= Grid point 367 (172/172) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 0.000 -0.000) 0.000 2.322 ( 0.000 0.000 -0.000) 0.000 2.336 ( -0.000 -0.000 0.000) 0.000 2.531 ( -0.000 -0.000 0.000) 0.000 2.913 ( -0.000 -0.000 0.000) 0.000 3.135 ( -0.000 -0.000 0.000) 0.000 3.357 ( -0.000 -0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.458 ( -0.000 -0.000 -0.000) 0.000 3.786 ( -0.000 -0.000 0.000) 0.000 3.789 ( 0.000 0.000 -0.000) 0.000 3.854 ( -0.000 -0.000 -0.000) 0.000 4.071 ( -0.000 -0.000 0.000) 0.000 4.255 ( -0.000 -0.000 0.000) 0.000 4.396 ( -0.000 -0.000 0.000) 0.000 4.880 ( 0.000 0.000 -0.000) 0.000 4.965 ( -0.000 -0.000 0.000) 0.000 5.150 ( -0.000 -0.000 0.000) 0.000 5.152 ( 0.000 0.000 -0.000) 0.000 5.220 ( -0.000 -0.000 0.000) 0.000 5.550 ( -0.000 -0.000 0.000) 0.000 5.786 ( -0.000 -0.000 -0.000) 0.000 5.854 ( -0.000 -0.000 0.000) 0.000 5.878 ( -0.000 -0.000 0.000) 0.000 6.025 ( -0.000 -0.000 -0.000) 0.000 6.476 ( -0.000 -0.000 0.000) 0.000 6.555 ( -0.000 -0.000 0.000) 0.000 6.739 ( -0.000 -0.000 0.000) 0.000 7.072 ( -0.000 -0.000 0.000) 0.000 7.529 ( -0.000 -0.000 0.000) 0.000 7.955 ( -0.000 -0.000 0.000) 0.000 8.285 ( -0.000 -0.000 0.000) 0.000 9.056 ( -0.000 -0.000 0.000) 0.000 9.264 ( -0.000 -0.000 0.000) 0.000 9.988 ( -0.000 -0.000 0.000) 0.000 10.014 ( 0.000 0.000 -0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.270 ( -0.000 -0.000 -0.000) 0.000 10.499 ( -0.000 -0.000 0.000) 0.000 10.661 ( -0.000 -0.000 0.000) 0.000 10.800 ( -0.000 -0.000 0.000) 0.000 10.981 ( -0.000 -0.000 -0.000) 0.000 12.164 ( -0.000 -0.000 0.000) 0.000 12.565 ( -0.000 -0.000 0.000) 0.000 12.683 ( -0.000 -0.000 0.000) 0.000 13.500 ( -0.000 -0.000 0.000) 0.000 14.190 ( -0.000 -0.000 0.000) 0.000 14.310 ( -0.000 -0.000 -0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 15.063 ( -0.000 -0.000 0.000) 0.000 15.120 ( -0.000 -0.000 0.000) 0.000 16.215 ( -0.000 -0.000 0.000) 0.000 16.702 ( -0.000 -0.000 0.000) 0.000 17.055 ( -0.000 -0.000 0.000) 0.000 18.364 ( -0.000 -0.000 0.000) 0.000 18.882 ( -0.000 -0.000 -0.000) 0.000 20.465 ( -0.000 -0.000 0.000) 0.000 21.721 ( -0.000 -0.000 0.000) 0.000 23.720 ( -0.000 -0.000 0.000) 0.000 23.817 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 2323.872 1232.775 1736.872 0.000 743.907 0.000 3/36000 20.0 529.943 451.545 388.547 0.000 90.109 0.000 3/36000 30.0 164.548 162.330 115.052 0.000 20.701 0.000 3/36000 40.0 75.090 78.026 52.825 0.000 7.990 0.000 3/36000 50.0 43.719 46.553 31.208 0.000 4.183 0.000 3/36000 60.0 29.536 31.837 21.357 0.000 2.627 0.000 3/36000 70.0 21.901 23.766 15.996 0.000 1.849 0.000 3/36000 80.0 17.266 18.816 12.707 0.000 1.402 0.000 3/36000 90.0 14.202 15.526 10.515 0.000 1.119 0.000 3/36000 100.0 12.046 13.206 8.961 0.000 0.926 0.000 3/36000 110.0 10.456 11.495 7.807 0.000 0.788 0.000 3/36000 120.0 9.240 10.185 6.921 0.000 0.684 0.000 3/36000 130.0 8.281 9.155 6.219 0.000 0.604 0.000 3/36000 140.0 7.508 8.324 5.651 0.000 0.540 0.000 3/36000 150.0 6.871 7.641 5.182 0.000 0.488 0.000 3/36000 160.0 6.338 7.069 4.789 0.000 0.444 0.000 3/36000 170.0 5.886 6.583 4.455 0.000 0.408 0.000 3/36000 180.0 5.497 6.166 4.167 0.000 0.376 0.000 3/36000 190.0 5.159 5.803 3.917 0.000 0.349 0.000 3/36000 200.0 4.863 5.484 3.697 0.000 0.324 0.000 3/36000 210.0 4.601 5.201 3.503 0.000 0.303 0.000 3/36000 220.0 4.367 4.949 3.330 0.000 0.284 0.000 3/36000 230.0 4.158 4.722 3.174 0.000 0.267 0.000 3/36000 240.0 3.969 4.517 3.034 0.000 0.252 0.000 3/36000 250.0 3.797 4.330 2.906 0.000 0.238 0.000 3/36000 260.0 3.640 4.159 2.790 0.000 0.226 0.000 3/36000 270.0 3.497 4.002 2.683 0.000 0.214 0.000 3/36000 280.0 3.365 3.857 2.585 0.000 0.204 0.000 3/36000 290.0 3.243 3.723 2.494 0.000 0.194 0.000 3/36000 300.0 3.130 3.599 2.410 0.000 0.185 0.000 3/36000 310.0 3.026 3.483 2.332 0.000 0.177 0.000 3/36000 320.0 2.928 3.375 2.259 0.000 0.170 0.000 3/36000 330.0 2.836 3.273 2.191 0.000 0.163 0.000 3/36000 340.0 2.751 3.178 2.127 0.000 0.156 0.000 3/36000 350.0 2.670 3.088 2.066 0.000 0.150 0.000 3/36000 360.0 2.595 3.003 2.010 0.000 0.144 0.000 3/36000 370.0 2.523 2.923 1.956 0.000 0.139 0.000 3/36000 380.0 2.456 2.847 1.905 0.000 0.134 0.000 3/36000 390.0 2.392 2.776 1.857 0.000 0.130 0.000 3/36000 400.0 2.332 2.708 1.812 0.000 0.125 0.000 3/36000 410.0 2.274 2.643 1.769 0.000 0.121 0.000 3/36000 420.0 2.220 2.581 1.727 0.000 0.118 0.000 3/36000 430.0 2.168 2.522 1.688 0.000 0.114 0.000 3/36000 440.0 2.118 2.466 1.651 0.000 0.111 0.000 3/36000 450.0 2.071 2.412 1.615 0.000 0.107 0.000 3/36000 460.0 2.026 2.361 1.581 0.000 0.104 0.000 3/36000 470.0 1.983 2.311 1.548 0.000 0.101 0.000 3/36000 480.0 1.942 2.264 1.516 0.000 0.099 0.000 3/36000 490.0 1.902 2.219 1.486 0.000 0.096 0.000 3/36000 500.0 1.864 2.175 1.457 0.000 0.094 0.000 3/36000 510.0 1.827 2.134 1.429 0.000 0.091 0.000 3/36000 520.0 1.792 2.093 1.403 0.000 0.089 0.000 3/36000 530.0 1.758 2.055 1.377 0.000 0.087 0.000 3/36000 540.0 1.726 2.017 1.352 0.000 0.085 0.000 3/36000 550.0 1.695 1.981 1.328 0.000 0.083 0.000 3/36000 560.0 1.664 1.947 1.305 0.000 0.081 0.000 3/36000 570.0 1.635 1.913 1.282 0.000 0.079 0.000 3/36000 580.0 1.607 1.881 1.261 0.000 0.078 0.000 3/36000 590.0 1.580 1.849 1.240 0.000 0.076 0.000 3/36000 600.0 1.554 1.819 1.220 0.000 0.074 0.000 3/36000 610.0 1.528 1.790 1.200 0.000 0.073 0.000 3/36000 620.0 1.504 1.761 1.181 0.000 0.072 0.000 3/36000 630.0 1.480 1.734 1.163 0.000 0.070 0.000 3/36000 640.0 1.457 1.707 1.145 0.000 0.069 0.000 3/36000 650.0 1.435 1.682 1.128 0.000 0.068 0.000 3/36000 660.0 1.413 1.656 1.111 0.000 0.066 0.000 3/36000 670.0 1.392 1.632 1.095 0.000 0.065 0.000 3/36000 680.0 1.372 1.609 1.079 0.000 0.064 0.000 3/36000 690.0 1.352 1.586 1.064 0.000 0.063 0.000 3/36000 700.0 1.333 1.563 1.049 0.000 0.062 0.000 3/36000 710.0 1.314 1.542 1.035 0.000 0.061 0.000 3/36000 720.0 1.296 1.520 1.021 0.000 0.060 0.000 3/36000 730.0 1.278 1.500 1.007 0.000 0.059 0.000 3/36000 740.0 1.261 1.480 0.994 0.000 0.058 0.000 3/36000 750.0 1.244 1.461 0.981 0.000 0.057 0.000 3/36000 760.0 1.228 1.442 0.968 0.000 0.056 0.000 3/36000 770.0 1.212 1.423 0.956 0.000 0.055 0.000 3/36000 780.0 1.197 1.405 0.944 0.000 0.054 0.000 3/36000 790.0 1.182 1.388 0.932 0.000 0.054 0.000 3/36000 800.0 1.167 1.370 0.921 0.000 0.053 0.000 3/36000 810.0 1.153 1.354 0.909 0.000 0.052 0.000 3/36000 820.0 1.139 1.337 0.898 0.000 0.051 0.000 3/36000 830.0 1.125 1.321 0.888 0.000 0.051 0.000 3/36000 840.0 1.112 1.306 0.877 0.000 0.050 0.000 3/36000 850.0 1.099 1.291 0.867 0.000 0.049 0.000 3/36000 860.0 1.086 1.276 0.857 0.000 0.049 0.000 3/36000 870.0 1.073 1.261 0.848 0.000 0.048 0.000 3/36000 880.0 1.061 1.247 0.838 0.000 0.047 0.000 3/36000 890.0 1.049 1.233 0.829 0.000 0.047 0.000 3/36000 900.0 1.038 1.220 0.820 0.000 0.046 0.000 3/36000 910.0 1.026 1.207 0.811 0.000 0.046 0.000 3/36000 920.0 1.015 1.194 0.802 0.000 0.045 0.000 3/36000 930.0 1.004 1.181 0.794 0.000 0.044 0.000 3/36000 940.0 0.994 1.168 0.786 0.000 0.044 0.000 3/36000 950.0 0.983 1.156 0.777 0.000 0.043 0.000 3/36000 960.0 0.973 1.144 0.769 0.000 0.043 0.000 3/36000 970.0 0.963 1.133 0.762 0.000 0.042 0.000 3/36000 980.0 0.953 1.121 0.754 0.000 0.042 0.000 3/36000 990.0 0.944 1.110 0.746 0.000 0.041 0.000 3/36000 1000.0 0.934 1.099 0.739 0.000 0.041 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:59:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|