----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:17:04]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.612592090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): *1 Sr 0.73740984722950 0.25000000000000 0.85071326825012 87.620 2 Sr 0.26259015277050 0.75000000000000 0.14928673174988 87.620 3 Sr 0.76259015277050 0.75000000000000 0.35071326825012 87.620 4 Sr 0.23740984722950 0.25000000000000 0.64928673174988 87.620 *5 Pr 0.44045626955582 0.25000000000000 0.38071981765198 140.908 6 Pr 0.55954373044418 0.75000000000000 0.61928018234802 140.908 7 Pr 0.05954373044418 0.75000000000000 0.88071981765198 140.908 8 Pr 0.94045626955582 0.25000000000000 0.11928018234802 140.908 *9 Pr 0.39485729948074 0.25000000000000 0.89539610687894 140.908 10 Pr 0.60514270051926 0.75000000000000 0.10460389312106 140.908 11 Pr 0.10514270051926 0.75000000000000 0.39539610687894 140.908 12 Pr 0.89485729948074 0.25000000000000 0.60460389312106 140.908 *13 O 0.22859965008297 0.25000000000000 0.30659626393881 15.999 14 O 0.77140034991703 0.75000000000000 0.69340373606119 15.999 15 O 0.27140034991703 0.75000000000000 0.80659626393881 15.999 16 O 0.72859965008297 0.25000000000000 0.19340373606119 15.999 *17 O 0.14951125832753 0.25000000000000 0.00682413913524 15.999 18 O 0.85048874167247 0.75000000000000 0.99317586086476 15.999 19 O 0.35048874167247 0.75000000000000 0.50682413913524 15.999 20 O 0.64951125832753 0.25000000000000 0.49317586086476 15.999 *21 O 0.48546015298361 0.25000000000000 0.71494475365208 15.999 22 O 0.51453984701639 0.75000000000000 0.28505524634792 15.999 23 O 0.01453984701639 0.75000000000000 0.21494475365208 15.999 24 O 0.98546015298361 0.25000000000000 0.78505524634792 15.999 *25 O 0.44032318303367 0.25000000000000 0.08574835484280 15.999 26 O 0.55967681696633 0.75000000000000 0.91425164515720 15.999 27 O 0.05967681696633 0.75000000000000 0.58574835484280 15.999 28 O 0.94032318303367 0.25000000000000 0.41425164515720 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.612592090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): *1 Sr 0.73740984722950 0.25000000000000 0.85071326825012 87.620 > 1 2 Sr 0.26259015277050 0.75000000000000 0.14928673174988 87.620 > 2 3 Sr 0.76259015277050 0.75000000000000 0.35071326825012 87.620 > 3 4 Sr 0.23740984722950 0.25000000000000 0.64928673174988 87.620 > 4 *5 Pr 0.44045626955582 0.25000000000000 0.38071981765198 140.908 > 5 6 Pr 0.55954373044418 0.75000000000000 0.61928018234802 140.908 > 6 7 Pr 0.05954373044418 0.75000000000000 0.88071981765198 140.908 > 7 8 Pr 0.94045626955582 0.25000000000000 0.11928018234802 140.908 > 8 *9 Pr 0.39485729948074 0.25000000000000 0.89539610687894 140.908 > 9 10 Pr 0.60514270051926 0.75000000000000 0.10460389312106 140.908 > 10 11 Pr 0.10514270051926 0.75000000000000 0.39539610687894 140.908 > 11 12 Pr 0.89485729948074 0.25000000000000 0.60460389312106 140.908 > 12 *13 O 0.22859965008297 0.25000000000000 0.30659626393881 15.999 > 13 14 O 0.77140034991703 0.75000000000000 0.69340373606119 15.999 > 14 15 O 0.27140034991703 0.75000000000000 0.80659626393881 15.999 > 15 16 O 0.72859965008297 0.25000000000000 0.19340373606119 15.999 > 16 *17 O 0.14951125832753 0.25000000000000 0.00682413913524 15.999 > 17 18 O 0.85048874167247 0.75000000000000 0.99317586086476 15.999 > 18 19 O 0.35048874167247 0.75000000000000 0.50682413913524 15.999 > 19 20 O 0.64951125832753 0.25000000000000 0.49317586086476 15.999 > 20 *21 O 0.48546015298361 0.25000000000000 0.71494475365208 15.999 > 21 22 O 0.51453984701639 0.75000000000000 0.28505524634792 15.999 > 22 23 O 0.01453984701639 0.75000000000000 0.21494475365208 15.999 > 23 24 O 0.98546015298361 0.25000000000000 0.78505524634792 15.999 > 24 *25 O 0.44032318303367 0.25000000000000 0.08574835484280 15.999 > 25 26 O 0.55967681696633 0.75000000000000 0.91425164515720 15.999 > 26 27 O 0.05967681696633 0.75000000000000 0.58574835484280 15.999 > 27 28 O 0.94032318303367 0.25000000000000 0.41425164515720 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.837776270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): *1 Sr 0.73740984722950 0.08333333333333 0.85071326825012 87.620 > 1 2 Sr 0.73740984722950 0.41666666666667 0.85071326825012 87.620 > 1 3 Sr 0.73740984722950 0.75000000000000 0.85071326825012 87.620 > 1 4 Sr 0.26259015277050 0.25000000000000 0.14928673174988 87.620 > 2 5 Sr 0.26259015277050 0.58333333333333 0.14928673174988 87.620 > 2 6 Sr 0.26259015277050 0.91666666666667 0.14928673174988 87.620 > 2 7 Sr 0.76259015277050 0.25000000000000 0.35071326825012 87.620 > 3 8 Sr 0.76259015277050 0.58333333333333 0.35071326825012 87.620 > 3 9 Sr 0.76259015277050 0.91666666666667 0.35071326825012 87.620 > 3 10 Sr 0.23740984722950 0.08333333333333 0.64928673174988 87.620 > 4 11 Sr 0.23740984722950 0.41666666666667 0.64928673174988 87.620 > 4 12 Sr 0.23740984722950 0.75000000000000 0.64928673174988 87.620 > 4 *13 Pr 0.44045626955582 0.08333333333333 0.38071981765198 140.908 > 5 14 Pr 0.44045626955582 0.41666666666667 0.38071981765198 140.908 > 5 15 Pr 0.44045626955582 0.75000000000000 0.38071981765198 140.908 > 5 16 Pr 0.55954373044418 0.25000000000000 0.61928018234802 140.908 > 6 17 Pr 0.55954373044418 0.58333333333333 0.61928018234802 140.908 > 6 18 Pr 0.55954373044418 0.91666666666667 0.61928018234802 140.908 > 6 19 Pr 0.05954373044418 0.25000000000000 0.88071981765198 140.908 > 7 20 Pr 0.05954373044418 0.58333333333333 0.88071981765198 140.908 > 7 21 Pr 0.05954373044418 0.91666666666667 0.88071981765198 140.908 > 7 22 Pr 0.94045626955582 0.08333333333333 0.11928018234802 140.908 > 8 23 Pr 0.94045626955582 0.41666666666667 0.11928018234802 140.908 > 8 24 Pr 0.94045626955582 0.75000000000000 0.11928018234802 140.908 > 8 *25 Pr 0.39485729948074 0.08333333333333 0.89539610687894 140.908 > 9 26 Pr 0.39485729948074 0.41666666666667 0.89539610687894 140.908 > 9 27 Pr 0.39485729948074 0.75000000000000 0.89539610687894 140.908 > 9 28 Pr 0.60514270051926 0.25000000000000 0.10460389312106 140.908 > 10 29 Pr 0.60514270051926 0.58333333333333 0.10460389312106 140.908 > 10 30 Pr 0.60514270051926 0.91666666666667 0.10460389312106 140.908 > 10 31 Pr 0.10514270051926 0.25000000000000 0.39539610687894 140.908 > 11 32 Pr 0.10514270051926 0.58333333333333 0.39539610687894 140.908 > 11 33 Pr 0.10514270051926 0.91666666666667 0.39539610687894 140.908 > 11 34 Pr 0.89485729948074 0.08333333333333 0.60460389312106 140.908 > 12 35 Pr 0.89485729948074 0.41666666666667 0.60460389312106 140.908 > 12 36 Pr 0.89485729948074 0.75000000000000 0.60460389312106 140.908 > 12 *37 O 0.22859965008297 0.08333333333333 0.30659626393881 15.999 > 13 38 O 0.22859965008297 0.41666666666667 0.30659626393881 15.999 > 13 39 O 0.22859965008297 0.75000000000000 0.30659626393881 15.999 > 13 40 O 0.77140034991703 0.25000000000000 0.69340373606119 15.999 > 14 41 O 0.77140034991703 0.58333333333333 0.69340373606119 15.999 > 14 42 O 0.77140034991703 0.91666666666667 0.69340373606119 15.999 > 14 43 O 0.27140034991703 0.25000000000000 0.80659626393881 15.999 > 15 44 O 0.27140034991703 0.58333333333333 0.80659626393881 15.999 > 15 45 O 0.27140034991703 0.91666666666667 0.80659626393881 15.999 > 15 46 O 0.72859965008297 0.08333333333333 0.19340373606119 15.999 > 16 47 O 0.72859965008297 0.41666666666667 0.19340373606119 15.999 > 16 48 O 0.72859965008297 0.75000000000000 0.19340373606119 15.999 > 16 *49 O 0.14951125832753 0.08333333333333 0.00682413913524 15.999 > 17 50 O 0.14951125832753 0.41666666666667 0.00682413913524 15.999 > 17 51 O 0.14951125832753 0.75000000000000 0.00682413913524 15.999 > 17 52 O 0.85048874167247 0.25000000000000 0.99317586086476 15.999 > 18 53 O 0.85048874167247 0.58333333333333 0.99317586086476 15.999 > 18 54 O 0.85048874167247 0.91666666666667 0.99317586086476 15.999 > 18 55 O 0.35048874167247 0.25000000000000 0.50682413913524 15.999 > 19 56 O 0.35048874167247 0.58333333333333 0.50682413913524 15.999 > 19 57 O 0.35048874167247 0.91666666666667 0.50682413913524 15.999 > 19 58 O 0.64951125832753 0.08333333333333 0.49317586086476 15.999 > 20 59 O 0.64951125832753 0.41666666666667 0.49317586086476 15.999 > 20 60 O 0.64951125832753 0.75000000000000 0.49317586086476 15.999 > 20 *61 O 0.48546015298361 0.08333333333333 0.71494475365208 15.999 > 21 62 O 0.48546015298361 0.41666666666667 0.71494475365208 15.999 > 21 63 O 0.48546015298361 0.75000000000000 0.71494475365208 15.999 > 21 64 O 0.51453984701639 0.25000000000000 0.28505524634792 15.999 > 22 65 O 0.51453984701639 0.58333333333333 0.28505524634792 15.999 > 22 66 O 0.51453984701639 0.91666666666667 0.28505524634792 15.999 > 22 67 O 0.01453984701639 0.25000000000000 0.21494475365208 15.999 > 23 68 O 0.01453984701639 0.58333333333333 0.21494475365208 15.999 > 23 69 O 0.01453984701639 0.91666666666667 0.21494475365208 15.999 > 23 70 O 0.98546015298361 0.08333333333333 0.78505524634792 15.999 > 24 71 O 0.98546015298361 0.41666666666667 0.78505524634792 15.999 > 24 72 O 0.98546015298361 0.75000000000000 0.78505524634792 15.999 > 24 *73 O 0.44032318303367 0.08333333333333 0.08574835484280 15.999 > 25 74 O 0.44032318303367 0.41666666666667 0.08574835484280 15.999 > 25 75 O 0.44032318303367 0.75000000000000 0.08574835484280 15.999 > 25 76 O 0.55967681696633 0.25000000000000 0.91425164515720 15.999 > 26 77 O 0.55967681696633 0.58333333333333 0.91425164515720 15.999 > 26 78 O 0.55967681696633 0.91666666666667 0.91425164515720 15.999 > 26 79 O 0.05967681696633 0.25000000000000 0.58574835484280 15.999 > 27 80 O 0.05967681696633 0.58333333333333 0.58574835484280 15.999 > 27 81 O 0.05967681696633 0.91666666666667 0.58574835484280 15.999 > 27 82 O 0.94032318303367 0.08333333333333 0.41425164515720 15.999 > 28 83 O 0.94032318303367 0.41666666666667 0.41425164515720 15.999 > 28 84 O 0.94032318303367 0.75000000000000 0.41425164515720 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5813129 0.0000000 0.0000000 0.0000000 4.7479681 0.0000000 0.0000000 0.0000000 4.5370644 -------------------------- Born effective charges -------------------------- 1 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 2 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 3 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 4 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 5 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 6 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 7 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 8 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 9 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 10 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 11 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 12 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 13 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 14 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 15 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 16 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 17 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 18 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 19 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 20 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 21 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 22 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 23 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 24 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 25 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 26 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 27 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 28 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.403 Solver_block: 200 / 480 - Time: 1.399 Solver_block: 300 / 480 - Time: 1.398 Solver_block: 400 / 480 - Time: 1.396 Solver_block: 480 / 480 - Time: 1.152 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.845 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:17:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:17:27]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.612592090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): 1 Sr 0.73740984722950 0.25000000000000 0.85071326825012 87.620 2 Sr 0.26259015277050 0.75000000000000 0.14928673174988 87.620 3 Sr 0.76259015277050 0.75000000000000 0.35071326825012 87.620 4 Sr 0.23740984722950 0.25000000000000 0.64928673174988 87.620 5 Pr 0.44045626955582 0.25000000000000 0.38071981765198 140.908 6 Pr 0.55954373044418 0.75000000000000 0.61928018234802 140.908 7 Pr 0.05954373044418 0.75000000000000 0.88071981765198 140.908 8 Pr 0.94045626955582 0.25000000000000 0.11928018234802 140.908 9 Pr 0.39485729948074 0.25000000000000 0.89539610687894 140.908 10 Pr 0.60514270051926 0.75000000000000 0.10460389312106 140.908 11 Pr 0.10514270051926 0.75000000000000 0.39539610687894 140.908 12 Pr 0.89485729948074 0.25000000000000 0.60460389312106 140.908 13 O 0.22859965008297 0.25000000000000 0.30659626393881 15.999 14 O 0.77140034991703 0.75000000000000 0.69340373606119 15.999 15 O 0.27140034991703 0.75000000000000 0.80659626393881 15.999 16 O 0.72859965008297 0.25000000000000 0.19340373606119 15.999 17 O 0.14951125832753 0.25000000000000 0.00682413913524 15.999 18 O 0.85048874167247 0.75000000000000 0.99317586086476 15.999 19 O 0.35048874167247 0.75000000000000 0.50682413913524 15.999 20 O 0.64951125832753 0.25000000000000 0.49317586086476 15.999 21 O 0.48546015298361 0.25000000000000 0.71494475365208 15.999 22 O 0.51453984701639 0.75000000000000 0.28505524634792 15.999 23 O 0.01453984701639 0.75000000000000 0.21494475365208 15.999 24 O 0.98546015298361 0.25000000000000 0.78505524634792 15.999 25 O 0.44032318303367 0.25000000000000 0.08574835484280 15.999 26 O 0.55967681696633 0.75000000000000 0.91425164515720 15.999 27 O 0.05967681696633 0.75000000000000 0.58574835484280 15.999 28 O 0.94032318303367 0.25000000000000 0.41425164515720 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.837776270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): 1 Sr 0.73740984722950 0.08333333333333 0.85071326825012 87.620 > 1 2 Sr 0.73740984722950 0.41666666666667 0.85071326825012 87.620 > 1 3 Sr 0.73740984722950 0.75000000000000 0.85071326825012 87.620 > 1 4 Sr 0.26259015277050 0.25000000000000 0.14928673174988 87.620 > 4 5 Sr 0.26259015277050 0.58333333333333 0.14928673174988 87.620 > 4 6 Sr 0.26259015277050 0.91666666666667 0.14928673174988 87.620 > 4 7 Sr 0.76259015277050 0.25000000000000 0.35071326825012 87.620 > 7 8 Sr 0.76259015277050 0.58333333333333 0.35071326825012 87.620 > 7 9 Sr 0.76259015277050 0.91666666666667 0.35071326825012 87.620 > 7 10 Sr 0.23740984722950 0.08333333333333 0.64928673174988 87.620 > 10 11 Sr 0.23740984722950 0.41666666666667 0.64928673174988 87.620 > 10 12 Sr 0.23740984722950 0.75000000000000 0.64928673174988 87.620 > 10 13 Pr 0.44045626955582 0.08333333333333 0.38071981765198 140.908 > 13 14 Pr 0.44045626955582 0.41666666666667 0.38071981765198 140.908 > 13 15 Pr 0.44045626955582 0.75000000000000 0.38071981765198 140.908 > 13 16 Pr 0.55954373044418 0.25000000000000 0.61928018234802 140.908 > 16 17 Pr 0.55954373044418 0.58333333333333 0.61928018234802 140.908 > 16 18 Pr 0.55954373044418 0.91666666666667 0.61928018234802 140.908 > 16 19 Pr 0.05954373044418 0.25000000000000 0.88071981765198 140.908 > 19 20 Pr 0.05954373044418 0.58333333333333 0.88071981765198 140.908 > 19 21 Pr 0.05954373044418 0.91666666666667 0.88071981765198 140.908 > 19 22 Pr 0.94045626955582 0.08333333333333 0.11928018234802 140.908 > 22 23 Pr 0.94045626955582 0.41666666666667 0.11928018234802 140.908 > 22 24 Pr 0.94045626955582 0.75000000000000 0.11928018234802 140.908 > 22 25 Pr 0.39485729948074 0.08333333333333 0.89539610687894 140.908 > 25 26 Pr 0.39485729948074 0.41666666666667 0.89539610687894 140.908 > 25 27 Pr 0.39485729948074 0.75000000000000 0.89539610687894 140.908 > 25 28 Pr 0.60514270051926 0.25000000000000 0.10460389312106 140.908 > 28 29 Pr 0.60514270051926 0.58333333333333 0.10460389312106 140.908 > 28 30 Pr 0.60514270051926 0.91666666666667 0.10460389312106 140.908 > 28 31 Pr 0.10514270051926 0.25000000000000 0.39539610687894 140.908 > 31 32 Pr 0.10514270051926 0.58333333333333 0.39539610687894 140.908 > 31 33 Pr 0.10514270051926 0.91666666666667 0.39539610687894 140.908 > 31 34 Pr 0.89485729948074 0.08333333333333 0.60460389312106 140.908 > 34 35 Pr 0.89485729948074 0.41666666666667 0.60460389312106 140.908 > 34 36 Pr 0.89485729948074 0.75000000000000 0.60460389312106 140.908 > 34 37 O 0.22859965008297 0.08333333333333 0.30659626393881 15.999 > 37 38 O 0.22859965008297 0.41666666666667 0.30659626393881 15.999 > 37 39 O 0.22859965008297 0.75000000000000 0.30659626393881 15.999 > 37 40 O 0.77140034991703 0.25000000000000 0.69340373606119 15.999 > 40 41 O 0.77140034991703 0.58333333333333 0.69340373606119 15.999 > 40 42 O 0.77140034991703 0.91666666666667 0.69340373606119 15.999 > 40 43 O 0.27140034991703 0.25000000000000 0.80659626393881 15.999 > 43 44 O 0.27140034991703 0.58333333333333 0.80659626393881 15.999 > 43 45 O 0.27140034991703 0.91666666666667 0.80659626393881 15.999 > 43 46 O 0.72859965008297 0.08333333333333 0.19340373606119 15.999 > 46 47 O 0.72859965008297 0.41666666666667 0.19340373606119 15.999 > 46 48 O 0.72859965008297 0.75000000000000 0.19340373606119 15.999 > 46 49 O 0.14951125832753 0.08333333333333 0.00682413913524 15.999 > 49 50 O 0.14951125832753 0.41666666666667 0.00682413913524 15.999 > 49 51 O 0.14951125832753 0.75000000000000 0.00682413913524 15.999 > 49 52 O 0.85048874167247 0.25000000000000 0.99317586086476 15.999 > 52 53 O 0.85048874167247 0.58333333333333 0.99317586086476 15.999 > 52 54 O 0.85048874167247 0.91666666666667 0.99317586086476 15.999 > 52 55 O 0.35048874167247 0.25000000000000 0.50682413913524 15.999 > 55 56 O 0.35048874167247 0.58333333333333 0.50682413913524 15.999 > 55 57 O 0.35048874167247 0.91666666666667 0.50682413913524 15.999 > 55 58 O 0.64951125832753 0.08333333333333 0.49317586086476 15.999 > 58 59 O 0.64951125832753 0.41666666666667 0.49317586086476 15.999 > 58 60 O 0.64951125832753 0.75000000000000 0.49317586086476 15.999 > 58 61 O 0.48546015298361 0.08333333333333 0.71494475365208 15.999 > 61 62 O 0.48546015298361 0.41666666666667 0.71494475365208 15.999 > 61 63 O 0.48546015298361 0.75000000000000 0.71494475365208 15.999 > 61 64 O 0.51453984701639 0.25000000000000 0.28505524634792 15.999 > 64 65 O 0.51453984701639 0.58333333333333 0.28505524634792 15.999 > 64 66 O 0.51453984701639 0.91666666666667 0.28505524634792 15.999 > 64 67 O 0.01453984701639 0.25000000000000 0.21494475365208 15.999 > 67 68 O 0.01453984701639 0.58333333333333 0.21494475365208 15.999 > 67 69 O 0.01453984701639 0.91666666666667 0.21494475365208 15.999 > 67 70 O 0.98546015298361 0.08333333333333 0.78505524634792 15.999 > 70 71 O 0.98546015298361 0.41666666666667 0.78505524634792 15.999 > 70 72 O 0.98546015298361 0.75000000000000 0.78505524634792 15.999 > 70 73 O 0.44032318303367 0.08333333333333 0.08574835484280 15.999 > 73 74 O 0.44032318303367 0.41666666666667 0.08574835484280 15.999 > 73 75 O 0.44032318303367 0.75000000000000 0.08574835484280 15.999 > 73 76 O 0.55967681696633 0.25000000000000 0.91425164515720 15.999 > 76 77 O 0.55967681696633 0.58333333333333 0.91425164515720 15.999 > 76 78 O 0.55967681696633 0.91666666666667 0.91425164515720 15.999 > 76 79 O 0.05967681696633 0.25000000000000 0.58574835484280 15.999 > 79 80 O 0.05967681696633 0.58333333333333 0.58574835484280 15.999 > 79 81 O 0.05967681696633 0.91666666666667 0.58574835484280 15.999 > 79 82 O 0.94032318303367 0.08333333333333 0.41425164515720 15.999 > 82 83 O 0.94032318303367 0.41666666666667 0.41425164515720 15.999 > 82 84 O 0.94032318303367 0.75000000000000 0.41425164515720 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5813129 0.0000000 0.0000000 0.0000000 4.7479681 0.0000000 0.0000000 0.0000000 4.5370644 -------------------------- Born effective charges -------------------------- 1 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 2 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 3 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 4 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 5 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 6 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 7 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 8 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 9 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 10 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 11 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 12 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 13 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 14 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 15 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 16 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 17 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 18 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 19 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 20 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 21 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 22 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 23 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 24 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 25 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 26 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 27 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 28 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:17:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:17:43]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.612592090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): 1 Sr 0.73740984722950 0.25000000000000 0.85071326825012 87.620 2 Sr 0.26259015277050 0.75000000000000 0.14928673174988 87.620 3 Sr 0.76259015277050 0.75000000000000 0.35071326825012 87.620 4 Sr 0.23740984722950 0.25000000000000 0.64928673174988 87.620 5 Pr 0.44045626955582 0.25000000000000 0.38071981765198 140.908 6 Pr 0.55954373044418 0.75000000000000 0.61928018234802 140.908 7 Pr 0.05954373044418 0.75000000000000 0.88071981765198 140.908 8 Pr 0.94045626955582 0.25000000000000 0.11928018234802 140.908 9 Pr 0.39485729948074 0.25000000000000 0.89539610687894 140.908 10 Pr 0.60514270051926 0.75000000000000 0.10460389312106 140.908 11 Pr 0.10514270051926 0.75000000000000 0.39539610687894 140.908 12 Pr 0.89485729948074 0.25000000000000 0.60460389312106 140.908 13 O 0.22859965008297 0.25000000000000 0.30659626393881 15.999 14 O 0.77140034991703 0.75000000000000 0.69340373606119 15.999 15 O 0.27140034991703 0.75000000000000 0.80659626393881 15.999 16 O 0.72859965008297 0.25000000000000 0.19340373606119 15.999 17 O 0.14951125832753 0.25000000000000 0.00682413913524 15.999 18 O 0.85048874167247 0.75000000000000 0.99317586086476 15.999 19 O 0.35048874167247 0.75000000000000 0.50682413913524 15.999 20 O 0.64951125832753 0.25000000000000 0.49317586086476 15.999 21 O 0.48546015298361 0.25000000000000 0.71494475365208 15.999 22 O 0.51453984701639 0.75000000000000 0.28505524634792 15.999 23 O 0.01453984701639 0.75000000000000 0.21494475365208 15.999 24 O 0.98546015298361 0.25000000000000 0.78505524634792 15.999 25 O 0.44032318303367 0.25000000000000 0.08574835484280 15.999 26 O 0.55967681696633 0.75000000000000 0.91425164515720 15.999 27 O 0.05967681696633 0.75000000000000 0.58574835484280 15.999 28 O 0.94032318303367 0.25000000000000 0.41425164515720 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.008836069999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.837776270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.248237440000000 Atomic positions (fractional): 1 Sr 0.73740984722950 0.08333333333333 0.85071326825012 87.620 > 1 2 Sr 0.73740984722950 0.41666666666667 0.85071326825012 87.620 > 1 3 Sr 0.73740984722950 0.75000000000000 0.85071326825012 87.620 > 1 4 Sr 0.26259015277050 0.25000000000000 0.14928673174988 87.620 > 4 5 Sr 0.26259015277050 0.58333333333333 0.14928673174988 87.620 > 4 6 Sr 0.26259015277050 0.91666666666667 0.14928673174988 87.620 > 4 7 Sr 0.76259015277050 0.25000000000000 0.35071326825012 87.620 > 7 8 Sr 0.76259015277050 0.58333333333333 0.35071326825012 87.620 > 7 9 Sr 0.76259015277050 0.91666666666667 0.35071326825012 87.620 > 7 10 Sr 0.23740984722950 0.08333333333333 0.64928673174988 87.620 > 10 11 Sr 0.23740984722950 0.41666666666667 0.64928673174988 87.620 > 10 12 Sr 0.23740984722950 0.75000000000000 0.64928673174988 87.620 > 10 13 Pr 0.44045626955582 0.08333333333333 0.38071981765198 140.908 > 13 14 Pr 0.44045626955582 0.41666666666667 0.38071981765198 140.908 > 13 15 Pr 0.44045626955582 0.75000000000000 0.38071981765198 140.908 > 13 16 Pr 0.55954373044418 0.25000000000000 0.61928018234802 140.908 > 16 17 Pr 0.55954373044418 0.58333333333333 0.61928018234802 140.908 > 16 18 Pr 0.55954373044418 0.91666666666667 0.61928018234802 140.908 > 16 19 Pr 0.05954373044418 0.25000000000000 0.88071981765198 140.908 > 19 20 Pr 0.05954373044418 0.58333333333333 0.88071981765198 140.908 > 19 21 Pr 0.05954373044418 0.91666666666667 0.88071981765198 140.908 > 19 22 Pr 0.94045626955582 0.08333333333333 0.11928018234802 140.908 > 22 23 Pr 0.94045626955582 0.41666666666667 0.11928018234802 140.908 > 22 24 Pr 0.94045626955582 0.75000000000000 0.11928018234802 140.908 > 22 25 Pr 0.39485729948074 0.08333333333333 0.89539610687894 140.908 > 25 26 Pr 0.39485729948074 0.41666666666667 0.89539610687894 140.908 > 25 27 Pr 0.39485729948074 0.75000000000000 0.89539610687894 140.908 > 25 28 Pr 0.60514270051926 0.25000000000000 0.10460389312106 140.908 > 28 29 Pr 0.60514270051926 0.58333333333333 0.10460389312106 140.908 > 28 30 Pr 0.60514270051926 0.91666666666667 0.10460389312106 140.908 > 28 31 Pr 0.10514270051926 0.25000000000000 0.39539610687894 140.908 > 31 32 Pr 0.10514270051926 0.58333333333333 0.39539610687894 140.908 > 31 33 Pr 0.10514270051926 0.91666666666667 0.39539610687894 140.908 > 31 34 Pr 0.89485729948074 0.08333333333333 0.60460389312106 140.908 > 34 35 Pr 0.89485729948074 0.41666666666667 0.60460389312106 140.908 > 34 36 Pr 0.89485729948074 0.75000000000000 0.60460389312106 140.908 > 34 37 O 0.22859965008297 0.08333333333333 0.30659626393881 15.999 > 37 38 O 0.22859965008297 0.41666666666667 0.30659626393881 15.999 > 37 39 O 0.22859965008297 0.75000000000000 0.30659626393881 15.999 > 37 40 O 0.77140034991703 0.25000000000000 0.69340373606119 15.999 > 40 41 O 0.77140034991703 0.58333333333333 0.69340373606119 15.999 > 40 42 O 0.77140034991703 0.91666666666667 0.69340373606119 15.999 > 40 43 O 0.27140034991703 0.25000000000000 0.80659626393881 15.999 > 43 44 O 0.27140034991703 0.58333333333333 0.80659626393881 15.999 > 43 45 O 0.27140034991703 0.91666666666667 0.80659626393881 15.999 > 43 46 O 0.72859965008297 0.08333333333333 0.19340373606119 15.999 > 46 47 O 0.72859965008297 0.41666666666667 0.19340373606119 15.999 > 46 48 O 0.72859965008297 0.75000000000000 0.19340373606119 15.999 > 46 49 O 0.14951125832753 0.08333333333333 0.00682413913524 15.999 > 49 50 O 0.14951125832753 0.41666666666667 0.00682413913524 15.999 > 49 51 O 0.14951125832753 0.75000000000000 0.00682413913524 15.999 > 49 52 O 0.85048874167247 0.25000000000000 0.99317586086476 15.999 > 52 53 O 0.85048874167247 0.58333333333333 0.99317586086476 15.999 > 52 54 O 0.85048874167247 0.91666666666667 0.99317586086476 15.999 > 52 55 O 0.35048874167247 0.25000000000000 0.50682413913524 15.999 > 55 56 O 0.35048874167247 0.58333333333333 0.50682413913524 15.999 > 55 57 O 0.35048874167247 0.91666666666667 0.50682413913524 15.999 > 55 58 O 0.64951125832753 0.08333333333333 0.49317586086476 15.999 > 58 59 O 0.64951125832753 0.41666666666667 0.49317586086476 15.999 > 58 60 O 0.64951125832753 0.75000000000000 0.49317586086476 15.999 > 58 61 O 0.48546015298361 0.08333333333333 0.71494475365208 15.999 > 61 62 O 0.48546015298361 0.41666666666667 0.71494475365208 15.999 > 61 63 O 0.48546015298361 0.75000000000000 0.71494475365208 15.999 > 61 64 O 0.51453984701639 0.25000000000000 0.28505524634792 15.999 > 64 65 O 0.51453984701639 0.58333333333333 0.28505524634792 15.999 > 64 66 O 0.51453984701639 0.91666666666667 0.28505524634792 15.999 > 64 67 O 0.01453984701639 0.25000000000000 0.21494475365208 15.999 > 67 68 O 0.01453984701639 0.58333333333333 0.21494475365208 15.999 > 67 69 O 0.01453984701639 0.91666666666667 0.21494475365208 15.999 > 67 70 O 0.98546015298361 0.08333333333333 0.78505524634792 15.999 > 70 71 O 0.98546015298361 0.41666666666667 0.78505524634792 15.999 > 70 72 O 0.98546015298361 0.75000000000000 0.78505524634792 15.999 > 70 73 O 0.44032318303367 0.08333333333333 0.08574835484280 15.999 > 73 74 O 0.44032318303367 0.41666666666667 0.08574835484280 15.999 > 73 75 O 0.44032318303367 0.75000000000000 0.08574835484280 15.999 > 73 76 O 0.55967681696633 0.25000000000000 0.91425164515720 15.999 > 76 77 O 0.55967681696633 0.58333333333333 0.91425164515720 15.999 > 76 78 O 0.55967681696633 0.91666666666667 0.91425164515720 15.999 > 76 79 O 0.05967681696633 0.25000000000000 0.58574835484280 15.999 > 79 80 O 0.05967681696633 0.58333333333333 0.58574835484280 15.999 > 79 81 O 0.05967681696633 0.91666666666667 0.58574835484280 15.999 > 79 82 O 0.94032318303367 0.08333333333333 0.41425164515720 15.999 > 82 83 O 0.94032318303367 0.41666666666667 0.41425164515720 15.999 > 82 84 O 0.94032318303367 0.75000000000000 0.41425164515720 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5813129 0.0000000 0.0000000 0.0000000 4.7479681 0.0000000 0.0000000 0.0000000 4.5370644 -------------------------- Born effective charges -------------------------- 1 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 2 Sr 2.5861221 0.0000000 -0.0464221 0.0000000 2.4519445 0.0000000 -0.1177913 0.0000000 2.5217534 3 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 4 Sr 2.5861221 0.0000000 0.0464221 0.0000000 2.4519445 0.0000000 0.1177913 0.0000000 2.5217534 5 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 6 Pr 3.8464552 0.0000000 0.1673712 0.0000000 4.5336349 0.0000000 -0.0443889 0.0000000 3.6145878 7 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 8 Pr 3.8464552 0.0000000 -0.1673712 0.0000000 4.5336349 0.0000000 0.0443889 0.0000000 3.6145878 9 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 10 Pr 3.7320889 0.0000000 0.2906056 0.0000000 3.9923729 0.0000000 0.1478414 0.0000000 4.0715246 11 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 12 Pr 3.7320889 0.0000000 -0.2906056 0.0000000 3.9923729 0.0000000 -0.1478414 0.0000000 4.0715246 13 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 14 O -2.9461375 0.0000000 0.0390262 0.0000000 -2.7319742 0.0000000 0.0455953 0.0000000 -2.2281477 15 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 16 O -2.9461375 0.0000000 -0.0390262 0.0000000 -2.7319742 0.0000000 -0.0455953 0.0000000 -2.2281477 17 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 18 O -2.6489389 0.0000000 0.1752475 0.0000000 -2.5571317 0.0000000 0.1263885 0.0000000 -2.5297243 19 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 20 O -2.6489389 0.0000000 -0.1752475 0.0000000 -2.5571317 0.0000000 -0.1263885 0.0000000 -2.5297243 21 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 22 O -2.1157327 0.0000000 0.5533593 0.0000000 -2.9617253 0.0000000 0.6291046 0.0000000 -2.9953515 23 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 24 O -2.1157327 0.0000000 -0.5533593 0.0000000 -2.9617253 0.0000000 -0.6291046 0.0000000 -2.9953515 25 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 26 O -2.4538570 0.0000000 -0.1894498 0.0000000 -2.7271211 0.0000000 -0.2130365 0.0000000 -2.4546424 27 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 28 O -2.4538570 0.0000000 0.1894498 0.0000000 -2.7271211 0.0000000 0.2130365 0.0000000 -2.4546424 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] 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: 0.54, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.124 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.882 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 15.075 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 16.397 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 16.796 ( 0.000 0.000 0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 25.966 0.000 0.000) 25.966 0.550 ( 27.106 0.000 0.000) 27.106 0.708 ( 36.619 0.000 0.000) 36.619 1.768 ( -10.748 0.000 0.000) 10.748 1.819 ( 3.972 0.000 0.000) 3.972 1.841 ( -5.410 0.000 0.000) 5.410 1.937 ( 14.263 0.000 0.000) 14.263 2.028 ( -8.719 0.000 0.000) 8.719 2.037 ( 1.395 0.000 0.000) 1.395 2.217 ( -2.705 0.000 0.000) 2.705 2.307 ( -7.053 0.000 0.000) 7.053 2.428 ( 3.025 0.000 0.000) 3.025 2.440 ( 0.445 0.000 0.000) 0.445 2.518 ( 3.062 0.000 0.000) 3.062 2.568 ( -0.735 0.000 0.000) 0.735 2.746 ( -0.820 0.000 0.000) 0.820 2.793 ( 4.793 0.000 0.000) 4.793 2.930 ( -0.243 0.000 0.000) 0.243 3.010 ( 10.333 0.000 0.000) 10.333 3.100 ( 4.229 0.000 0.000) 4.229 3.109 ( -8.603 0.000 0.000) 8.603 3.387 ( -2.484 0.000 0.000) 2.484 3.490 ( -4.899 0.000 0.000) 4.899 3.588 ( -6.561 0.000 0.000) 6.561 3.941 ( 10.175 0.000 0.000) 10.175 3.959 ( -2.550 0.000 0.000) 2.550 4.269 ( -14.527 0.000 0.000) 14.527 4.272 ( 6.325 0.000 0.000) 6.325 4.350 ( -9.843 0.000 0.000) 9.843 4.575 ( 0.124 0.000 0.000) 0.124 4.756 ( 2.157 0.000 0.000) 2.157 5.001 ( 7.784 0.000 0.000) 7.784 5.101 ( 9.320 0.000 0.000) 9.320 5.169 ( -13.711 0.000 0.000) 13.711 5.441 ( -7.595 0.000 0.000) 7.595 5.551 ( -8.419 0.000 0.000) 8.419 5.681 ( 4.195 0.000 0.000) 4.195 5.828 ( -4.758 0.000 0.000) 4.758 6.003 ( 1.484 0.000 0.000) 1.484 6.072 ( 10.448 0.000 0.000) 10.448 6.085 ( -0.473 0.000 0.000) 0.473 6.537 ( -2.788 0.000 0.000) 2.788 6.605 ( -0.279 0.000 0.000) 0.279 6.654 ( -1.339 0.000 0.000) 1.339 6.971 ( 2.287 0.000 0.000) 2.287 7.081 ( -3.566 0.000 0.000) 3.566 7.366 ( 0.948 0.000 0.000) 0.948 7.430 ( -0.526 0.000 0.000) 0.526 7.707 ( 7.852 0.000 0.000) 7.852 7.913 ( 5.970 0.000 0.000) 5.970 7.981 ( 21.778 0.000 0.000) 21.778 8.136 ( 1.090 0.000 0.000) 1.090 8.147 ( 1.065 0.000 0.000) 1.065 8.629 ( 4.203 0.000 0.000) 4.203 8.851 ( 0.229 0.000 0.000) 0.229 8.920 ( 0.262 0.000 0.000) 0.262 9.047 ( -2.405 0.000 0.000) 2.405 9.183 ( -13.624 0.000 0.000) 13.624 9.320 ( -7.890 0.000 0.000) 7.890 9.698 ( -19.187 0.000 0.000) 19.187 9.791 ( 0.864 0.000 0.000) 0.864 9.843 ( -0.330 0.000 0.000) 0.330 10.618 ( -1.601 0.000 0.000) 1.601 10.697 ( 1.717 0.000 0.000) 1.717 11.572 ( 11.379 0.000 0.000) 11.379 11.820 ( -2.233 0.000 0.000) 2.233 11.833 ( -0.156 0.000 0.000) 0.156 12.016 ( -3.341 0.000 0.000) 3.341 12.385 ( 4.551 0.000 0.000) 4.551 12.762 ( -9.355 0.000 0.000) 9.355 12.985 ( 0.704 0.000 0.000) 0.704 13.003 ( 0.315 0.000 0.000) 0.315 13.322 ( 0.152 0.000 0.000) 0.152 13.325 ( 0.225 0.000 0.000) 0.225 13.338 ( -0.203 0.000 0.000) 0.203 13.341 ( -0.153 0.000 0.000) 0.153 14.490 ( 13.633 0.000 0.000) 13.633 15.060 ( -1.816 0.000 0.000) 1.816 15.562 ( 2.263 0.000 0.000) 2.263 15.703 ( -1.207 0.000 0.000) 1.207 16.529 ( -0.696 0.000 0.000) 0.696 16.664 ( -1.674 0.000 0.000) 1.674 16.829 ( 2.582 0.000 0.000) 2.582 17.024 ( -5.164 0.000 0.000) 5.164 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 23.104 0.000 0.000) 23.104 1.074 ( 25.169 0.000 0.000) 25.169 1.442 ( 16.403 0.000 0.000) 16.403 1.458 ( 0.577 0.000 0.000) 0.577 1.542 ( -21.011 0.000 0.000) 21.011 1.922 ( 5.592 0.000 0.000) 5.592 1.984 ( 0.143 0.000 0.000) 0.143 1.990 ( -11.165 0.000 0.000) 11.165 2.135 ( 5.334 0.000 0.000) 5.334 2.154 ( -2.832 0.000 0.000) 2.832 2.168 ( -5.304 0.000 0.000) 5.304 2.340 ( -19.851 0.000 0.000) 19.851 2.453 ( 0.725 0.000 0.000) 0.725 2.460 ( 0.351 0.000 0.000) 0.351 2.738 ( 8.733 0.000 0.000) 8.733 2.793 ( 17.527 0.000 0.000) 17.527 2.873 ( 3.015 0.000 0.000) 3.015 2.915 ( -1.329 0.000 0.000) 1.329 3.003 ( -7.528 0.000 0.000) 7.528 3.119 ( -1.015 0.000 0.000) 1.015 3.207 ( 5.857 0.000 0.000) 5.857 3.315 ( -4.682 0.000 0.000) 4.682 3.495 ( 1.832 0.000 0.000) 1.832 3.553 ( 9.602 0.000 0.000) 9.602 3.779 ( -13.622 0.000 0.000) 13.622 3.907 ( -18.267 0.000 0.000) 18.267 4.222 ( 14.428 0.000 0.000) 14.428 4.260 ( 4.998 0.000 0.000) 4.998 4.473 ( 6.514 0.000 0.000) 6.514 4.497 ( -6.050 0.000 0.000) 6.050 4.707 ( -5.191 0.000 0.000) 5.191 4.845 ( -15.030 0.000 0.000) 15.030 5.180 ( 7.548 0.000 0.000) 7.548 5.237 ( 2.941 0.000 0.000) 2.941 5.363 ( -1.977 0.000 0.000) 1.977 5.374 ( -5.232 0.000 0.000) 5.232 5.755 ( 2.936 0.000 0.000) 2.936 5.794 ( -0.907 0.000 0.000) 0.907 6.038 ( 1.841 0.000 0.000) 1.841 6.069 ( -1.182 0.000 0.000) 1.182 6.240 ( 7.026 0.000 0.000) 7.026 6.391 ( -8.670 0.000 0.000) 8.670 6.604 ( 0.398 0.000 0.000) 0.398 6.623 ( -1.423 0.000 0.000) 1.423 7.059 ( 3.455 0.000 0.000) 3.455 7.071 ( 1.204 0.000 0.000) 1.204 7.389 ( 1.318 0.000 0.000) 1.318 7.414 ( -1.063 0.000 0.000) 1.063 7.862 ( 7.177 0.000 0.000) 7.177 7.962 ( -1.895 0.000 0.000) 1.895 8.159 ( 0.951 0.000 0.000) 0.951 8.165 ( 0.407 0.000 0.000) 0.407 8.475 ( 24.549 0.000 0.000) 24.549 8.782 ( 8.092 0.000 0.000) 8.092 8.891 ( -12.352 0.000 0.000) 12.352 8.897 ( 5.180 0.000 0.000) 5.180 8.938 ( 1.731 0.000 0.000) 1.731 8.988 ( -3.076 0.000 0.000) 3.076 9.112 ( -11.074 0.000 0.000) 11.074 9.253 ( -22.074 0.000 0.000) 22.074 9.812 ( 1.116 0.000 0.000) 1.116 9.832 ( -0.795 0.000 0.000) 0.795 10.616 ( 2.054 0.000 0.000) 2.054 10.684 ( -3.273 0.000 0.000) 3.273 11.759 ( 5.118 0.000 0.000) 5.118 11.819 ( -1.677 0.000 0.000) 1.677 11.824 ( 4.361 0.000 0.000) 4.361 11.929 ( -4.979 0.000 0.000) 4.979 12.484 ( 5.014 0.000 0.000) 5.014 12.595 ( -6.671 0.000 0.000) 6.671 13.000 ( 0.636 0.000 0.000) 0.636 13.007 ( -0.023 0.000 0.000) 0.023 13.327 ( 0.280 0.000 0.000) 0.280 13.331 ( 0.320 0.000 0.000) 0.320 13.333 ( -0.302 0.000 0.000) 0.302 13.337 ( -0.285 0.000 0.000) 0.285 14.776 ( 13.241 0.000 0.000) 13.241 14.980 ( -6.838 0.000 0.000) 6.838 15.616 ( 2.867 0.000 0.000) 2.867 15.668 ( -2.228 0.000 0.000) 2.228 16.538 ( 1.998 0.000 0.000) 1.998 16.605 ( -3.973 0.000 0.000) 3.973 16.878 ( 2.204 0.000 0.000) 2.204 16.929 ( -3.538 0.000 0.000) 3.538 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 27.329 0.000) 27.329 0.602 ( 0.000 29.748 0.000) 29.748 1.130 ( 0.000 56.296 0.000) 56.296 1.736 ( 0.000 2.646 0.000) 2.646 1.762 ( 0.000 2.655 0.000) 2.655 1.969 ( 0.000 15.418 0.000) 15.418 1.999 ( 0.000 -1.266 0.000) 1.266 2.066 ( 0.000 18.516 0.000) 18.516 2.261 ( 0.000 5.300 0.000) 5.300 2.420 ( 0.000 0.951 0.000) 0.951 2.495 ( 0.000 10.448 0.000) 10.448 2.529 ( 0.000 4.281 0.000) 4.281 2.539 ( 0.000 15.104 0.000) 15.104 2.561 ( 0.000 10.282 0.000) 10.282 2.664 ( 0.000 2.017 0.000) 2.017 2.678 ( 0.000 13.560 0.000) 13.560 2.748 ( 0.000 -0.800 0.000) 0.800 2.907 ( 0.000 15.419 0.000) 15.419 3.095 ( 0.000 13.502 0.000) 13.502 3.222 ( 0.000 11.576 0.000) 11.576 3.240 ( 0.000 -0.928 0.000) 0.928 3.561 ( 0.000 13.586 0.000) 13.586 3.576 ( 0.000 1.469 0.000) 1.469 3.753 ( 0.000 9.152 0.000) 9.152 3.921 ( 0.000 9.304 0.000) 9.304 3.991 ( 0.000 5.789 0.000) 5.789 4.159 ( 0.000 -0.606 0.000) 0.606 4.336 ( 0.000 2.698 0.000) 2.698 4.387 ( 0.000 -3.724 0.000) 3.724 4.525 ( 0.000 -1.192 0.000) 1.192 4.529 ( 0.000 -0.480 0.000) 0.480 4.879 ( 0.000 -3.759 0.000) 3.759 4.966 ( 0.000 0.762 0.000) 0.762 5.324 ( 0.000 1.664 0.000) 1.664 5.496 ( 0.000 -10.276 0.000) 10.276 5.577 ( 0.000 -2.811 0.000) 2.811 5.623 ( 0.000 0.186 0.000) 0.186 5.705 ( 0.000 -8.256 0.000) 8.256 5.851 ( 0.000 -4.964 0.000) 4.964 6.302 ( 0.000 -12.534 0.000) 12.534 6.451 ( 0.000 23.252 0.000) 23.252 6.497 ( 0.000 -5.669 0.000) 5.669 6.766 ( 0.000 -1.159 0.000) 1.159 6.885 ( 0.000 13.747 0.000) 13.747 7.083 ( 0.000 22.821 0.000) 22.821 7.181 ( 0.000 18.428 0.000) 18.428 7.209 ( 0.000 8.442 0.000) 8.442 7.449 ( 0.000 2.164 0.000) 2.164 7.564 ( 0.000 -0.736 0.000) 0.736 7.758 ( 0.000 0.504 0.000) 0.504 7.850 ( 0.000 -1.844 0.000) 1.844 8.197 ( 0.000 5.419 0.000) 5.419 8.268 ( 0.000 12.858 0.000) 12.858 8.522 ( 0.000 -6.211 0.000) 6.211 8.625 ( 0.000 -10.699 0.000) 10.699 9.032 ( 0.000 5.873 0.000) 5.873 9.195 ( 0.000 15.423 0.000) 15.423 9.342 ( 0.000 1.249 0.000) 1.249 9.354 ( 0.000 -4.777 0.000) 4.777 9.665 ( 0.000 -10.558 0.000) 10.558 9.868 ( 0.000 -4.057 0.000) 4.057 9.894 ( 0.000 4.136 0.000) 4.136 10.627 ( 0.000 -1.156 0.000) 1.156 11.361 ( 0.000 -6.909 0.000) 6.909 11.524 ( 0.000 -14.473 0.000) 14.473 11.846 ( 0.000 0.657 0.000) 0.657 12.027 ( 0.000 -2.488 0.000) 2.488 12.224 ( 0.000 18.723 0.000) 18.723 12.283 ( 0.000 -12.820 0.000) 12.820 12.363 ( 0.000 2.298 0.000) 2.298 12.634 ( 0.000 -20.401 0.000) 20.401 12.810 ( 0.000 -6.867 0.000) 6.867 12.835 ( 0.000 -12.745 0.000) 12.745 13.153 ( 0.000 -15.336 0.000) 15.336 13.279 ( 0.000 -5.153 0.000) 5.153 13.295 ( 0.000 -7.625 0.000) 7.625 14.730 ( 0.000 24.541 0.000) 24.541 15.196 ( 0.000 10.880 0.000) 10.880 15.594 ( 0.000 5.039 0.000) 5.039 16.335 ( 0.000 -6.166 0.000) 6.166 16.404 ( 0.000 -3.198 0.000) 3.198 16.589 ( 0.000 -8.873 0.000) 8.873 16.720 ( 0.000 -7.457 0.000) 7.457 16.964 ( 0.000 -11.541 0.000) 11.541 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 9.811 17.217 0.000) 19.817 0.797 ( 16.508 21.684 0.000) 27.253 1.414 ( 18.172 43.522 0.000) 47.164 1.740 ( -0.618 -2.027 0.000) 2.119 1.865 ( 10.672 3.291 0.000) 11.168 1.910 ( -11.778 3.067 0.000) 12.170 1.982 ( 2.644 14.826 0.000) 15.060 2.115 ( -1.366 12.346 0.000) 12.422 2.154 ( 2.143 7.116 0.000) 7.432 2.394 ( -5.174 3.380 0.000) 6.181 2.400 ( -3.941 14.038 0.000) 14.580 2.453 ( -5.936 6.456 0.000) 8.770 2.513 ( 0.666 4.861 0.000) 4.906 2.603 ( 7.619 12.055 0.000) 14.261 2.665 ( -2.250 11.326 0.000) 11.547 2.733 ( 1.793 0.058 0.000) 1.794 2.949 ( -1.045 13.398 0.000) 13.439 2.996 ( 12.671 0.698 0.000) 12.690 3.086 ( -0.387 13.947 0.000) 13.952 3.124 ( 1.115 6.187 0.000) 6.287 3.308 ( 3.019 11.494 0.000) 11.884 3.472 ( -6.396 3.655 0.000) 7.367 3.566 ( -1.425 11.987 0.000) 12.072 3.638 ( -9.449 8.035 0.000) 12.403 3.960 ( -3.836 1.718 0.000) 4.203 3.993 ( 7.124 6.445 0.000) 9.607 4.219 ( 2.596 -3.020 0.000) 3.982 4.224 ( -14.500 -3.973 0.000) 15.034 4.362 ( -2.233 2.335 0.000) 3.231 4.553 ( -0.131 -2.111 0.000) 2.115 4.561 ( 7.330 -4.737 0.000) 8.727 4.969 ( 8.129 -3.140 0.000) 8.715 5.096 ( 8.898 -0.528 0.000) 8.913 5.171 ( -16.107 -0.263 0.000) 16.109 5.341 ( -2.685 -5.238 0.000) 5.887 5.529 ( -9.343 -1.889 0.000) 9.532 5.656 ( 4.115 -2.268 0.000) 4.698 5.800 ( -1.964 -1.837 0.000) 2.689 5.912 ( 12.919 -7.854 0.000) 15.119 6.260 ( -0.491 -3.943 0.000) 3.974 6.441 ( -0.937 23.759 0.000) 23.778 6.639 ( -1.068 14.777 0.000) 14.816 6.769 ( 3.202 5.144 0.000) 6.059 6.826 ( -4.167 9.263 0.000) 10.157 6.995 ( -3.039 7.524 0.000) 8.114 7.149 ( -1.937 11.430 0.000) 11.593 7.234 ( 5.210 2.593 0.000) 5.819 7.452 ( -1.149 2.092 0.000) 2.387 7.737 ( 7.989 3.047 0.000) 8.550 7.926 ( 20.338 -5.069 0.000) 20.961 7.930 ( 4.655 0.986 0.000) 4.758 8.192 ( -0.340 4.011 0.000) 4.025 8.247 ( -1.744 8.620 0.000) 8.795 8.570 ( 5.161 -5.946 0.000) 7.873 8.673 ( 4.542 -6.004 0.000) 7.528 9.027 ( -1.605 2.286 0.000) 2.793 9.176 ( -1.596 14.448 0.000) 14.536 9.211 ( -11.460 3.747 0.000) 12.057 9.286 ( -6.811 -3.341 0.000) 7.586 9.661 ( 0.157 -11.135 0.000) 11.136 9.713 ( -15.797 -0.744 0.000) 15.815 9.820 ( -4.715 0.306 0.000) 4.725 10.641 ( 1.648 1.587 0.000) 2.288 11.080 ( -17.752 12.837 0.000) 21.907 11.568 ( 11.145 -1.867 0.000) 11.300 11.849 ( 0.359 1.025 0.000) 1.087 11.891 ( -5.751 7.344 0.000) 9.327 11.993 ( -3.245 -2.151 0.000) 3.893 12.380 ( 1.326 -0.990 0.000) 1.655 12.572 ( -4.999 -21.603 0.000) 22.174 12.690 ( -1.032 -15.036 0.000) 15.072 12.807 ( -2.314 -15.362 0.000) 15.535 12.948 ( 16.179 -18.848 0.000) 24.840 13.182 ( 2.028 -12.879 0.000) 13.038 13.284 ( 0.733 -5.275 0.000) 5.325 13.340 ( 2.501 -5.078 0.000) 5.660 14.796 ( 6.773 22.300 0.000) 23.306 15.183 ( -1.543 11.012 0.000) 11.120 15.626 ( 3.001 5.607 0.000) 6.360 16.016 ( -14.967 13.462 0.000) 20.131 16.448 ( -0.239 -7.281 0.000) 7.285 16.574 ( -1.664 -8.840 0.000) 8.995 16.744 ( 2.549 -7.973 0.000) 8.371 16.912 ( -4.297 -10.654 0.000) 11.488 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 29.075 -2.209 0.000) 29.158 1.158 ( 17.670 12.923 0.000) 21.891 1.522 ( -14.048 7.424 0.000) 15.889 1.523 ( -23.993 -0.699 0.000) 24.003 1.818 ( 19.624 19.844 0.000) 27.909 2.037 ( 5.658 6.747 0.000) 8.805 2.101 ( -1.287 10.336 0.000) 10.416 2.140 ( 7.230 12.401 0.000) 14.355 2.202 ( -12.779 8.379 0.000) 15.281 2.219 ( -1.811 8.240 0.000) 8.437 2.342 ( -1.230 17.037 0.000) 17.082 2.383 ( -2.893 8.589 0.000) 9.063 2.542 ( -6.559 9.212 0.000) 11.308 2.572 ( -3.511 9.857 0.000) 10.464 2.793 ( 21.087 0.905 0.000) 21.106 2.807 ( 8.953 10.234 0.000) 13.597 3.013 ( 5.844 9.257 0.000) 10.948 3.014 ( -6.120 8.487 0.000) 10.464 3.096 ( -2.341 10.707 0.000) 10.960 3.200 ( -5.360 10.066 0.000) 11.404 3.375 ( 3.121 14.489 0.000) 14.822 3.429 ( -0.315 5.864 0.000) 5.872 3.464 ( -0.084 -2.308 0.000) 2.309 3.555 ( 1.486 5.530 0.000) 5.726 3.781 ( -10.433 0.893 0.000) 10.472 3.878 ( -15.387 -1.215 0.000) 15.435 4.213 ( 11.312 1.187 0.000) 11.374 4.258 ( 4.965 0.305 0.000) 4.975 4.430 ( 2.017 -1.236 0.000) 2.366 4.475 ( -6.504 -1.711 0.000) 6.725 4.647 ( 3.647 -2.452 0.000) 4.395 4.842 ( -14.411 -0.070 0.000) 14.412 5.149 ( 7.506 -3.126 0.000) 8.131 5.219 ( 1.803 -1.995 0.000) 2.689 5.324 ( -0.084 -1.173 0.000) 1.176 5.354 ( -5.188 -0.829 0.000) 5.254 5.727 ( 2.905 -2.513 0.000) 3.841 5.774 ( -1.661 -1.933 0.000) 2.549 6.140 ( 9.477 -5.598 0.000) 11.007 6.258 ( -1.526 -4.830 0.000) 5.066 6.423 ( -0.346 26.489 0.000) 26.492 6.482 ( -7.745 29.579 0.000) 30.576 6.776 ( -0.569 8.921 0.000) 8.939 6.791 ( -1.382 10.641 0.000) 10.731 7.061 ( 5.596 1.283 0.000) 5.741 7.129 ( -1.307 8.325 0.000) 8.428 7.341 ( 4.742 -1.908 0.000) 5.111 7.414 ( -2.640 0.396 0.000) 2.670 7.864 ( 5.662 0.013 0.000) 5.662 7.954 ( -2.458 -0.472 0.000) 2.503 8.189 ( 0.237 2.078 0.000) 2.092 8.206 ( -1.347 2.893 0.000) 3.191 8.428 ( 25.468 -4.357 0.000) 25.838 8.722 ( 6.394 -6.080 0.000) 8.823 8.791 ( 6.723 0.088 0.000) 6.724 8.917 ( -11.367 1.019 0.000) 11.413 8.983 ( -6.754 4.687 0.000) 8.220 9.067 ( -11.217 -0.288 0.000) 11.221 9.191 ( 1.662 11.090 0.000) 11.213 9.353 ( -15.575 6.795 0.000) 16.992 9.685 ( 2.194 -9.731 0.000) 9.976 9.741 ( -3.286 -5.816 0.000) 6.680 10.709 ( 5.433 6.772 0.000) 8.682 10.851 ( -8.342 11.048 0.000) 13.843 11.777 ( 7.793 -0.473 0.000) 7.807 11.841 ( 0.559 3.264 0.000) 3.312 11.850 ( -0.820 2.076 0.000) 2.232 11.909 ( -4.708 -1.367 0.000) 4.902 12.403 ( 1.062 -8.455 0.000) 8.521 12.449 ( -4.456 -14.713 0.000) 15.373 12.710 ( 2.105 -19.756 0.000) 19.868 12.757 ( -2.512 -18.473 0.000) 18.644 13.142 ( 4.924 -15.264 0.000) 16.038 13.195 ( -0.943 -11.997 0.000) 12.034 13.320 ( 2.511 -4.110 0.000) 4.816 13.358 ( -0.775 -3.124 0.000) 3.218 14.968 ( 9.144 16.087 0.000) 18.504 15.119 ( -5.344 12.214 0.000) 13.332 15.704 ( 4.647 7.314 0.000) 8.666 15.815 ( -6.791 10.629 0.000) 12.613 16.456 ( 1.723 -7.873 0.000) 8.060 16.517 ( -3.743 -8.558 0.000) 9.341 16.793 ( 2.044 -8.171 0.000) 8.423 16.835 ( -2.783 -8.993 0.000) 9.414 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 25.799 0.000) 25.799 1.158 ( 0.000 25.904 0.000) 25.904 1.821 ( 0.000 7.686 0.000) 7.686 1.858 ( 0.000 6.484 0.000) 6.484 1.983 ( 0.000 0.238 0.000) 0.238 2.223 ( 0.000 51.335 0.000) 51.335 2.337 ( 0.000 19.981 0.000) 19.981 2.338 ( 0.000 3.545 0.000) 3.545 2.377 ( 0.000 2.281 0.000) 2.281 2.524 ( 0.000 16.429 0.000) 16.429 2.607 ( 0.000 5.457 0.000) 5.457 2.693 ( 0.000 9.425 0.000) 9.425 2.715 ( 0.000 -0.911 0.000) 0.911 2.839 ( 0.000 15.033 0.000) 15.033 2.841 ( 0.000 12.752 0.000) 12.752 2.918 ( 0.000 20.736 0.000) 20.736 3.042 ( 0.000 19.378 0.000) 19.378 3.182 ( 0.000 7.843 0.000) 7.843 3.261 ( 0.000 5.633 0.000) 5.633 3.371 ( 0.000 10.554 0.000) 10.554 3.495 ( 0.000 20.212 0.000) 20.212 3.671 ( 0.000 9.620 0.000) 9.620 3.876 ( 0.000 17.524 0.000) 17.524 4.085 ( 0.000 22.877 0.000) 22.877 4.153 ( 0.000 0.174 0.000) 0.174 4.189 ( 0.000 12.372 0.000) 12.372 4.211 ( 0.000 18.294 0.000) 18.294 4.293 ( 0.000 -4.973 0.000) 4.973 4.435 ( 0.000 9.021 0.000) 9.021 4.505 ( 0.000 -0.409 0.000) 0.409 4.533 ( 0.000 1.916 0.000) 1.916 4.791 ( 0.000 -3.995 0.000) 3.995 4.996 ( 0.000 2.589 0.000) 2.589 5.263 ( 0.000 -8.321 0.000) 8.321 5.442 ( 0.000 6.329 0.000) 6.329 5.518 ( 0.000 -2.804 0.000) 2.804 5.578 ( 0.000 -5.450 0.000) 5.450 5.598 ( 0.000 -3.534 0.000) 3.534 5.759 ( 0.000 -3.699 0.000) 3.699 6.105 ( 0.000 -6.744 0.000) 6.744 6.409 ( 0.000 -3.247 0.000) 3.247 6.700 ( 0.000 -4.139 0.000) 4.139 6.810 ( 0.000 10.839 0.000) 10.839 6.946 ( 0.000 -4.089 0.000) 4.089 7.513 ( 0.000 0.088 0.000) 0.088 7.579 ( 0.000 25.575 0.000) 25.575 7.597 ( 0.000 21.866 0.000) 21.866 7.627 ( 0.000 27.917 0.000) 27.917 7.632 ( 0.000 12.670 0.000) 12.670 7.768 ( 0.000 0.409 0.000) 0.409 7.813 ( 0.000 -1.850 0.000) 1.850 8.258 ( 0.000 -0.260 0.000) 0.260 8.385 ( 0.000 -7.058 0.000) 7.058 8.467 ( 0.000 -5.130 0.000) 5.130 8.604 ( 0.000 19.815 0.000) 19.815 9.153 ( 0.000 5.814 0.000) 5.814 9.227 ( 0.000 -7.195 0.000) 7.195 9.434 ( 0.000 -11.248 0.000) 11.248 9.435 ( 0.000 8.353 0.000) 8.353 9.479 ( 0.000 12.699 0.000) 12.699 9.751 ( 0.000 -7.629 0.000) 7.629 9.977 ( 0.000 3.543 0.000) 3.543 10.611 ( 0.000 0.004 0.000) 0.004 11.167 ( 0.000 -11.165 0.000) 11.165 11.270 ( 0.000 -12.824 0.000) 12.824 11.841 ( 0.000 -1.473 0.000) 1.473 11.844 ( 0.000 -22.866 0.000) 22.866 11.950 ( 0.000 -5.192 0.000) 5.192 12.379 ( 0.000 -1.762 0.000) 1.762 12.437 ( 0.000 -6.757 0.000) 6.757 12.539 ( 0.000 -15.954 0.000) 15.954 12.548 ( 0.000 7.031 0.000) 7.031 12.664 ( 0.000 -0.513 0.000) 0.513 12.797 ( 0.000 -18.761 0.000) 18.761 13.079 ( 0.000 -11.903 0.000) 11.903 13.104 ( 0.000 -12.416 0.000) 12.416 15.163 ( 0.000 17.246 0.000) 17.246 15.444 ( 0.000 13.081 0.000) 13.081 15.687 ( 0.000 2.603 0.000) 2.603 16.165 ( 0.000 -10.630 0.000) 10.630 16.299 ( 0.000 -8.041 0.000) 8.041 16.342 ( 0.000 -15.586 0.000) 15.586 16.527 ( 0.000 -10.927 0.000) 10.927 16.686 ( 0.000 -14.465 0.000) 14.465 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -5.751 26.337 0.000) 26.958 1.259 ( 9.278 23.093 0.000) 24.887 1.775 ( 0.849 5.229 0.000) 5.297 1.930 ( -0.071 10.006 0.000) 10.006 1.977 ( -8.865 4.499 0.000) 9.941 2.143 ( -4.936 -1.066 0.000) 5.050 2.255 ( -0.799 21.802 0.000) 21.816 2.414 ( -5.953 0.969 0.000) 6.031 2.448 ( 14.623 38.187 0.000) 40.891 2.518 ( 0.675 18.023 0.000) 18.036 2.553 ( 1.341 6.542 0.000) 6.678 2.677 ( -0.851 6.777 0.000) 6.831 2.752 ( -0.980 11.914 0.000) 11.954 2.790 ( 1.487 12.592 0.000) 12.679 2.914 ( 4.792 16.346 0.000) 17.034 2.948 ( -1.794 17.990 0.000) 18.080 3.093 ( 7.979 9.107 0.000) 12.108 3.200 ( -2.306 8.066 0.000) 8.390 3.338 ( 9.386 11.922 0.000) 15.173 3.374 ( 0.169 11.783 0.000) 11.784 3.499 ( 0.357 15.726 0.000) 15.730 3.588 ( -6.337 10.221 0.000) 12.026 3.874 ( -0.858 17.118 0.000) 17.140 3.984 ( -10.812 22.871 0.000) 25.298 4.046 ( -12.186 4.718 0.000) 13.067 4.147 ( -11.904 -1.513 0.000) 12.000 4.201 ( 4.347 2.024 0.000) 4.796 4.236 ( 3.239 17.086 0.000) 17.390 4.489 ( 3.988 11.860 0.000) 12.513 4.505 ( -0.811 -2.197 0.000) 2.342 4.563 ( 2.807 4.566 0.000) 5.360 4.884 ( 7.388 -4.852 0.000) 8.839 5.083 ( 6.369 -0.550 0.000) 6.393 5.132 ( -11.203 -2.706 0.000) 11.525 5.345 ( -1.382 4.838 0.000) 5.031 5.489 ( -8.122 -1.682 0.000) 8.294 5.608 ( 3.889 -2.003 0.000) 4.374 5.756 ( -0.822 -2.901 0.000) 3.015 5.767 ( 13.225 -7.113 0.000) 15.017 6.128 ( 1.516 -6.723 0.000) 6.892 6.628 ( 17.527 -6.256 0.000) 18.610 6.775 ( 6.976 -1.939 0.000) 7.241 6.809 ( 0.408 6.608 0.000) 6.620 6.922 ( -0.809 7.627 0.000) 7.670 7.337 ( -16.196 17.691 0.000) 23.985 7.461 ( -5.409 3.355 0.000) 6.365 7.553 ( -2.429 23.014 0.000) 23.142 7.598 ( -1.109 22.524 0.000) 22.552 7.786 ( 2.071 -1.285 0.000) 2.437 7.880 ( 19.739 6.124 0.000) 20.667 7.970 ( 5.137 3.463 0.000) 6.196 8.234 ( -1.853 -0.493 0.000) 1.917 8.365 ( -6.031 1.547 0.000) 6.226 8.433 ( 6.116 -6.565 0.000) 8.972 8.736 ( 9.076 12.812 0.000) 15.701 9.106 ( -5.069 4.589 0.000) 6.838 9.194 ( -4.336 -5.002 0.000) 6.620 9.358 ( -7.076 10.780 0.000) 12.895 9.378 ( -3.063 -2.795 0.000) 4.146 9.500 ( 1.480 4.338 0.000) 4.583 9.642 ( -10.125 -5.906 0.000) 11.721 9.856 ( -9.529 2.189 0.000) 9.778 10.666 ( 5.319 1.136 0.000) 5.439 11.103 ( -5.309 -5.548 0.000) 7.679 11.444 ( 14.575 -10.622 0.000) 18.035 11.834 ( -0.415 -3.183 0.000) 3.210 11.841 ( -0.096 -14.567 0.000) 14.568 11.946 ( -0.658 -2.455 0.000) 2.542 12.306 ( -7.028 -8.140 0.000) 10.754 12.312 ( -7.649 -1.943 0.000) 7.892 12.486 ( -3.084 -14.416 0.000) 14.742 12.488 ( -10.564 -9.711 0.000) 14.349 12.720 ( 9.163 -3.336 0.000) 9.751 12.885 ( 5.704 -15.555 0.000) 16.568 13.097 ( -0.058 -13.281 0.000) 13.281 13.160 ( 4.508 -10.732 0.000) 11.640 15.197 ( 3.375 16.470 0.000) 16.812 15.430 ( -1.413 12.740 0.000) 12.818 15.727 ( 3.746 2.850 0.000) 4.707 16.082 ( -6.415 -5.600 0.000) 8.515 16.285 ( -2.080 -8.377 0.000) 8.631 16.331 ( -1.267 -15.189 0.000) 15.242 16.543 ( 2.099 -11.216 0.000) 11.411 16.655 ( -2.511 -13.459 0.000) 13.691 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 18.206 13.762 0.000) 22.822 1.487 ( 12.503 17.781 0.000) 21.736 1.553 ( -26.204 4.896 0.000) 26.657 1.716 ( -8.908 10.967 0.000) 14.129 1.970 ( 6.835 5.462 0.000) 8.749 2.156 ( -8.455 -0.590 0.000) 8.475 2.269 ( 2.815 5.077 0.000) 5.806 2.283 ( 2.893 13.964 0.000) 14.261 2.538 ( 0.005 14.801 0.000) 14.801 2.573 ( -4.053 17.121 0.000) 17.594 2.635 ( 6.145 13.004 0.000) 14.383 2.693 ( 3.236 12.690 0.000) 13.096 2.803 ( -4.163 14.909 0.000) 15.480 2.810 ( -7.928 15.432 0.000) 17.349 2.979 ( 22.981 23.850 0.000) 33.121 3.063 ( 9.811 11.324 0.000) 14.983 3.216 ( 0.217 9.617 0.000) 9.620 3.224 ( 5.003 11.418 0.000) 12.466 3.344 ( -3.846 12.503 0.000) 13.081 3.419 ( -7.563 8.901 0.000) 11.680 3.529 ( 1.828 9.473 0.000) 9.647 3.543 ( 3.706 14.764 0.000) 15.222 3.676 ( -11.959 15.083 0.000) 19.249 3.743 ( -11.327 6.412 0.000) 13.016 3.888 ( -1.131 11.961 0.000) 12.014 3.947 ( -7.126 9.197 0.000) 11.634 4.306 ( 5.757 4.745 0.000) 7.461 4.346 ( 5.955 12.817 0.000) 14.133 4.453 ( -3.144 0.652 0.000) 3.210 4.513 ( -3.654 10.483 0.000) 11.101 4.655 ( 7.737 4.444 0.000) 8.923 4.853 ( -11.021 1.309 0.000) 11.099 5.075 ( 5.965 -3.103 0.000) 6.724 5.154 ( -0.749 -3.955 0.000) 4.025 5.357 ( 1.241 4.169 0.000) 4.349 5.377 ( -1.972 3.193 0.000) 3.753 5.670 ( 2.491 -2.767 0.000) 3.723 5.720 ( -2.512 -3.331 0.000) 4.172 6.005 ( 9.551 -8.246 0.000) 12.618 6.126 ( -2.569 -7.827 0.000) 8.237 6.850 ( 3.558 4.259 0.000) 5.550 6.860 ( 4.193 -0.644 0.000) 4.242 6.932 ( 1.745 17.250 0.000) 17.338 7.027 ( 15.253 4.840 0.000) 16.002 7.055 ( -9.997 13.879 0.000) 17.104 7.302 ( -10.693 2.829 0.000) 11.061 7.520 ( 0.041 18.053 0.000) 18.053 7.557 ( -2.740 16.887 0.000) 17.107 7.848 ( 4.380 -1.266 0.000) 4.560 7.950 ( -4.903 0.139 0.000) 4.905 8.209 ( -0.306 -0.378 0.000) 0.487 8.218 ( 1.566 -1.894 0.000) 2.457 8.386 ( 18.218 2.019 0.000) 18.329 8.600 ( 5.621 -4.570 0.000) 7.244 8.897 ( 3.726 6.332 0.000) 7.347 8.936 ( -10.083 1.592 0.000) 10.208 9.067 ( -3.745 4.304 0.000) 5.705 9.180 ( -9.695 13.226 0.000) 16.399 9.361 ( 1.322 2.517 0.000) 2.843 9.441 ( -7.400 1.127 0.000) 7.485 9.553 ( 4.298 -0.456 0.000) 4.322 9.675 ( -7.806 -0.563 0.000) 7.827 10.810 ( 8.564 2.920 0.000) 9.048 10.978 ( -7.496 1.287 0.000) 7.605 11.731 ( 11.390 -4.600 0.000) 12.284 11.827 ( -0.778 -3.284 0.000) 3.375 11.856 ( 2.387 -5.889 0.000) 6.355 11.921 ( -1.868 0.631 0.000) 1.972 12.132 ( -7.121 -11.177 0.000) 13.253 12.144 ( -7.484 -16.401 0.000) 18.028 12.397 ( 0.182 -12.530 0.000) 12.531 12.432 ( -2.526 -13.557 0.000) 13.791 12.864 ( 5.181 -11.430 0.000) 12.550 12.932 ( -1.362 -13.136 0.000) 13.206 13.139 ( 3.905 -13.286 0.000) 13.848 13.197 ( -0.939 -11.301 0.000) 11.340 15.288 ( 5.218 14.408 0.000) 15.324 15.381 ( -3.668 12.843 0.000) 13.357 15.824 ( 5.644 2.712 0.000) 6.262 15.947 ( -6.671 0.675 0.000) 6.705 16.257 ( 0.128 -11.121 0.000) 11.122 16.289 ( -2.530 -13.632 0.000) 13.865 16.587 ( 1.664 -11.416 0.000) 11.537 16.613 ( -1.425 -11.968 0.000) 12.052 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 21.320 0.000) 21.320 1.585 ( 0.000 15.747 0.000) 15.747 1.998 ( 0.000 7.763 0.000) 7.763 2.006 ( 0.000 11.127 0.000) 11.127 2.052 ( 0.000 8.272 0.000) 8.272 2.374 ( 0.000 -0.523 0.000) 0.523 2.438 ( 0.000 6.812 0.000) 6.812 2.630 ( 0.000 7.681 0.000) 7.681 2.655 ( 0.000 -2.198 0.000) 2.198 2.711 ( 0.000 1.707 0.000) 1.707 2.817 ( 0.000 2.792 0.000) 2.792 2.837 ( 0.000 18.535 0.000) 18.535 3.003 ( 0.000 2.213 0.000) 2.213 3.086 ( 0.000 23.092 0.000) 23.092 3.193 ( 0.000 20.365 0.000) 20.365 3.332 ( 0.000 9.128 0.000) 9.128 3.366 ( 0.000 13.356 0.000) 13.356 3.413 ( 0.000 35.116 0.000) 35.116 3.497 ( 0.000 15.203 0.000) 15.203 3.533 ( 0.000 10.047 0.000) 10.047 3.866 ( 0.000 6.932 0.000) 6.932 3.919 ( 0.000 16.271 0.000) 16.271 4.151 ( 0.000 -1.444 0.000) 1.444 4.265 ( 0.000 6.696 0.000) 6.696 4.272 ( 0.000 21.568 0.000) 21.568 4.338 ( 0.000 3.560 0.000) 3.560 4.468 ( 0.000 1.925 0.000) 1.925 4.508 ( 0.000 2.786 0.000) 2.786 4.570 ( 0.000 23.904 0.000) 23.904 4.677 ( 0.000 13.529 0.000) 13.529 4.714 ( 0.000 13.888 0.000) 13.888 4.854 ( 0.000 11.974 0.000) 11.974 5.117 ( 0.000 12.214 0.000) 12.214 5.119 ( 0.000 -5.349 0.000) 5.349 5.437 ( 0.000 -7.170 0.000) 7.170 5.486 ( 0.000 -6.510 0.000) 6.510 5.522 ( 0.000 3.032 0.000) 3.032 5.633 ( 0.000 12.219 0.000) 12.219 5.721 ( 0.000 0.028 0.000) 0.028 6.019 ( 0.000 -3.079 0.000) 3.079 6.375 ( 0.000 0.047 0.000) 0.047 6.645 ( 0.000 -0.598 0.000) 0.598 6.825 ( 0.000 -6.877 0.000) 6.877 6.943 ( 0.000 5.420 0.000) 5.420 7.478 ( 0.000 -2.915 0.000) 2.915 7.762 ( 0.000 -0.443 0.000) 0.443 7.767 ( 0.000 -2.842 0.000) 2.842 7.927 ( 0.000 12.415 0.000) 12.415 7.972 ( 0.000 12.054 0.000) 12.054 8.031 ( 0.000 18.590 0.000) 18.590 8.171 ( 0.000 25.118 0.000) 25.118 8.207 ( 0.000 -3.328 0.000) 3.328 8.290 ( 0.000 1.116 0.000) 1.116 8.434 ( 0.000 2.406 0.000) 2.406 8.914 ( 0.000 2.806 0.000) 2.806 9.158 ( 0.000 4.292 0.000) 4.292 9.244 ( 0.000 3.038 0.000) 3.038 9.291 ( 0.000 1.356 0.000) 1.356 9.575 ( 0.000 -10.019 0.000) 10.019 9.639 ( 0.000 11.004 0.000) 11.004 9.677 ( 0.000 7.130 0.000) 7.130 10.018 ( 0.000 0.440 0.000) 0.440 10.642 ( 0.000 3.065 0.000) 3.065 10.947 ( 0.000 -13.017 0.000) 13.017 10.986 ( 0.000 -13.778 0.000) 13.778 11.533 ( 0.000 -8.139 0.000) 8.139 11.796 ( 0.000 -2.392 0.000) 2.392 11.821 ( 0.000 -8.009 0.000) 8.009 12.194 ( 0.000 -18.787 0.000) 18.787 12.223 ( 0.000 -16.281 0.000) 16.281 12.268 ( 0.000 -9.191 0.000) 9.191 12.409 ( 0.000 -9.315 0.000) 9.315 12.467 ( 0.000 -14.024 0.000) 14.024 12.807 ( 0.000 -16.901 0.000) 16.901 12.903 ( 0.000 13.308 0.000) 13.308 12.930 ( 0.000 -1.906 0.000) 1.906 15.397 ( 0.000 6.945 0.000) 6.945 15.627 ( 0.000 -9.511 0.000) 9.511 15.692 ( 0.000 11.792 0.000) 11.792 15.933 ( 0.000 -12.217 0.000) 12.217 15.995 ( 0.000 -18.857 0.000) 18.857 16.065 ( 0.000 -15.119 0.000) 15.119 16.335 ( 0.000 -8.217 0.000) 8.217 16.483 ( 0.000 -4.732 0.000) 4.732 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -6.957 24.144 0.000) 25.126 1.643 ( 5.362 14.227 0.000) 15.204 1.900 ( -0.255 6.288 0.000) 6.293 2.115 ( 1.597 10.504 0.000) 10.625 2.129 ( 2.406 10.839 0.000) 11.103 2.163 ( -13.763 3.255 0.000) 14.142 2.428 ( -5.069 1.043 0.000) 5.175 2.504 ( -3.124 6.545 0.000) 7.252 2.648 ( 0.523 1.667 0.000) 1.747 2.788 ( 1.631 6.912 0.000) 7.102 2.800 ( 0.066 10.755 0.000) 10.755 2.863 ( 8.598 6.813 0.000) 10.971 3.058 ( -7.326 12.193 0.000) 14.224 3.193 ( 7.290 15.168 0.000) 16.829 3.210 ( 7.187 -0.215 0.000) 7.190 3.279 ( -5.836 17.584 0.000) 18.527 3.304 ( -1.563 17.574 0.000) 17.643 3.467 ( 4.659 31.296 0.000) 31.641 3.545 ( 1.409 9.311 0.000) 9.417 3.587 ( 5.099 12.677 0.000) 13.664 3.813 ( -4.511 9.618 0.000) 10.623 3.905 ( 0.704 18.415 0.000) 18.428 4.055 ( -11.288 -0.470 0.000) 11.298 4.169 ( -8.697 8.327 0.000) 12.041 4.261 ( -1.908 20.642 0.000) 20.730 4.286 ( 2.480 4.430 0.000) 5.077 4.418 ( -8.317 9.960 0.000) 12.976 4.531 ( -1.378 12.258 0.000) 12.335 4.553 ( 4.199 7.994 0.000) 9.030 4.734 ( 3.849 12.920 0.000) 13.481 4.830 ( 6.792 16.647 0.000) 17.979 4.869 ( 2.649 8.352 0.000) 8.762 5.116 ( -0.524 1.928 0.000) 1.999 5.123 ( 0.601 8.355 0.000) 8.376 5.461 ( -1.566 -1.813 0.000) 2.396 5.463 ( -0.524 5.913 0.000) 5.936 5.573 ( 7.295 -5.804 0.000) 9.322 5.674 ( 3.365 4.072 0.000) 5.282 5.698 ( -1.940 -1.647 0.000) 2.544 6.010 ( -1.318 -5.256 0.000) 5.419 6.532 ( 13.302 -2.776 0.000) 13.588 6.762 ( 11.250 1.136 0.000) 11.307 6.834 ( 2.673 -0.127 0.000) 2.676 7.054 ( 7.443 4.220 0.000) 8.556 7.422 ( -4.702 -4.389 0.000) 6.432 7.579 ( -12.462 6.822 0.000) 14.207 7.735 ( -1.850 -0.657 0.000) 1.963 7.929 ( -7.009 8.344 0.000) 10.897 8.035 ( 8.970 6.826 0.000) 11.272 8.072 ( 0.842 8.993 0.000) 9.032 8.118 ( -4.978 22.565 0.000) 23.108 8.176 ( -0.797 -3.924 0.000) 4.004 8.406 ( 9.719 5.969 0.000) 11.406 8.414 ( -0.746 5.967 0.000) 6.013 8.932 ( 0.772 -1.551 0.000) 1.732 9.187 ( -6.533 3.364 0.000) 7.348 9.207 ( 4.837 7.765 0.000) 9.148 9.284 ( -0.276 2.719 0.000) 2.733 9.484 ( -7.405 -9.036 0.000) 11.683 9.602 ( -3.586 11.855 0.000) 12.385 9.651 ( -2.124 6.355 0.000) 6.700 9.880 ( -10.617 0.032 0.000) 10.617 10.699 ( 5.423 2.300 0.000) 5.890 10.954 ( -0.140 -8.725 0.000) 8.726 11.172 ( 16.067 -15.766 0.000) 22.510 11.602 ( 6.185 -7.254 0.000) 9.533 11.738 ( -2.221 -6.037 0.000) 6.432 11.883 ( 2.826 -3.962 0.000) 4.867 12.063 ( -10.478 -13.892 0.000) 17.400 12.171 ( -2.788 -19.106 0.000) 19.309 12.249 ( -3.786 -12.086 0.000) 12.665 12.288 ( -10.996 -3.760 0.000) 11.621 12.609 ( 10.054 -12.011 0.000) 15.664 12.747 ( -5.996 0.930 0.000) 6.068 12.784 ( -1.634 -17.493 0.000) 17.570 13.042 ( 2.422 1.316 0.000) 2.756 15.431 ( 3.220 7.686 0.000) 8.333 15.615 ( -1.047 -2.268 0.000) 2.498 15.718 ( 2.252 3.702 0.000) 4.334 15.872 ( -3.886 -13.568 0.000) 14.114 15.997 ( 0.163 -18.041 0.000) 18.042 16.080 ( -0.696 -13.154 0.000) 13.173 16.355 ( 2.237 -7.253 0.000) 7.590 16.466 ( -1.392 -4.360 0.000) 4.577 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.773 19.679 0.000) 20.509 1.673 ( -13.725 8.856 0.000) 16.334 1.835 ( 0.665 13.604 0.000) 13.620 1.908 ( -1.404 7.631 0.000) 7.759 2.139 ( 1.021 10.724 0.000) 10.772 2.217 ( -4.316 6.896 0.000) 8.135 2.377 ( 8.603 7.363 0.000) 11.324 2.520 ( 1.403 10.224 0.000) 10.320 2.685 ( -5.278 5.397 0.000) 7.549 2.730 ( -0.355 2.430 0.000) 2.456 2.873 ( 3.095 4.992 0.000) 5.874 2.899 ( -3.356 9.922 0.000) 10.474 3.042 ( 6.732 5.848 0.000) 8.917 3.133 ( -5.267 11.636 0.000) 12.773 3.223 ( 0.766 5.626 0.000) 5.678 3.309 ( -1.417 12.479 0.000) 12.559 3.408 ( 7.603 11.078 0.000) 13.436 3.535 ( -4.033 6.178 0.000) 7.377 3.574 ( 3.458 15.668 0.000) 16.045 3.610 ( -1.432 9.691 0.000) 9.796 3.755 ( 2.127 12.969 0.000) 13.143 3.922 ( -8.890 19.251 0.000) 21.205 3.934 ( 4.762 18.191 0.000) 18.804 4.035 ( 4.259 15.948 0.000) 16.506 4.170 ( -13.506 16.402 0.000) 21.247 4.182 ( -5.957 18.352 0.000) 19.295 4.393 ( 6.268 3.148 0.000) 7.014 4.494 ( -3.346 5.052 0.000) 6.060 4.670 ( 6.665 10.706 0.000) 12.611 4.769 ( -1.706 10.522 0.000) 10.659 4.904 ( 1.503 19.789 0.000) 19.846 4.921 ( 0.771 10.128 0.000) 10.158 5.109 ( 0.690 7.759 0.000) 7.790 5.129 ( -0.398 5.055 0.000) 5.071 5.459 ( 1.058 3.834 0.000) 3.977 5.467 ( 0.492 6.358 0.000) 6.377 5.650 ( 0.510 1.958 0.000) 2.023 5.660 ( -1.320 -1.418 0.000) 1.937 5.807 ( 8.531 -11.243 0.000) 14.114 5.948 ( -5.158 -9.574 0.000) 10.875 6.806 ( 12.445 -3.534 0.000) 12.937 6.918 ( 3.193 3.742 0.000) 4.919 7.017 ( 9.894 2.882 0.000) 10.305 7.106 ( -3.237 2.107 0.000) 3.862 7.364 ( -0.511 3.284 0.000) 3.323 7.375 ( -5.588 10.533 0.000) 11.924 7.702 ( -0.636 -3.164 0.000) 3.227 7.772 ( -7.273 1.618 0.000) 7.451 8.016 ( -3.253 16.858 0.000) 17.169 8.023 ( -3.134 10.203 0.000) 10.674 8.175 ( 2.565 -1.651 0.000) 3.050 8.182 ( 0.514 -1.676 0.000) 1.753 8.501 ( 10.493 8.744 0.000) 13.658 8.596 ( 6.066 4.643 0.000) 7.639 8.907 ( -2.855 -2.769 0.000) 3.977 8.973 ( -12.057 1.757 0.000) 12.185 9.299 ( 2.263 6.923 0.000) 7.284 9.343 ( 7.888 6.752 0.000) 10.383 9.362 ( -4.239 -2.254 0.000) 4.801 9.498 ( -6.807 11.658 0.000) 13.500 9.623 ( 0.249 4.459 0.000) 4.466 9.691 ( -6.915 1.570 0.000) 7.091 10.830 ( 6.702 -0.494 0.000) 6.721 10.930 ( -2.845 -5.055 0.000) 5.801 11.515 ( 16.689 -15.125 0.000) 22.523 11.735 ( 0.881 -8.372 0.000) 8.418 11.741 ( 6.279 -3.881 0.000) 7.382 11.834 ( -11.054 -8.830 0.000) 14.147 11.909 ( -0.959 -4.972 0.000) 5.064 11.988 ( -11.403 -8.575 0.000) 14.267 12.163 ( -1.871 -10.064 0.000) 10.237 12.168 ( -2.791 -13.940 0.000) 14.216 12.684 ( -0.755 -8.491 0.000) 8.524 12.697 ( -1.265 -11.757 0.000) 11.824 12.858 ( 8.965 -12.399 0.000) 15.301 13.010 ( -5.218 -5.089 0.000) 7.289 15.510 ( 4.150 7.876 0.000) 8.902 15.580 ( -2.644 4.808 0.000) 5.487 15.767 ( 2.411 -6.133 0.000) 6.590 15.812 ( -2.255 -12.433 0.000) 12.636 16.004 ( 0.716 -14.997 0.000) 15.014 16.037 ( -2.575 -12.134 0.000) 12.404 16.406 ( 2.187 -5.870 0.000) 6.264 16.438 ( -1.328 -4.521 0.000) 4.712 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 5.776 0.000) 5.776 1.865 ( 0.000 10.243 0.000) 10.243 2.209 ( 0.000 14.423 0.000) 14.423 2.251 ( 0.000 13.247 0.000) 13.247 2.306 ( 0.000 15.094 0.000) 15.094 2.378 ( 0.000 1.096 0.000) 1.096 2.600 ( 0.000 -2.964 0.000) 2.964 2.606 ( 0.000 10.053 0.000) 10.053 2.655 ( 0.000 -5.597 0.000) 5.597 2.727 ( 0.000 3.115 0.000) 3.115 2.867 ( 0.000 2.199 0.000) 2.199 3.016 ( 0.000 1.123 0.000) 1.123 3.214 ( 0.000 18.205 0.000) 18.205 3.241 ( 0.000 -0.139 0.000) 0.139 3.422 ( 0.000 -1.959 0.000) 1.959 3.536 ( 0.000 12.640 0.000) 12.640 3.597 ( 0.000 10.213 0.000) 10.213 3.738 ( 0.000 7.540 0.000) 7.540 3.771 ( 0.000 9.481 0.000) 9.481 3.933 ( 0.000 7.434 0.000) 7.434 4.042 ( 0.000 -1.384 0.000) 1.384 4.106 ( 0.000 8.557 0.000) 8.557 4.273 ( 0.000 33.869 0.000) 33.869 4.363 ( 0.000 0.565 0.000) 0.565 4.382 ( 0.000 -4.538 0.000) 4.538 4.561 ( 0.000 15.636 0.000) 15.636 4.611 ( 0.000 7.067 0.000) 7.067 4.694 ( 0.000 12.986 0.000) 12.986 4.881 ( 0.000 3.638 0.000) 3.638 4.941 ( 0.000 8.325 0.000) 8.325 4.944 ( 0.000 15.079 0.000) 15.079 5.011 ( 0.000 1.620 0.000) 1.620 5.168 ( 0.000 14.123 0.000) 14.123 5.265 ( 0.000 -9.003 0.000) 9.003 5.417 ( 0.000 1.244 0.000) 1.244 5.456 ( 0.000 16.114 0.000) 16.114 5.761 ( 0.000 19.875 0.000) 19.875 5.780 ( 0.000 7.585 0.000) 7.585 5.900 ( 0.000 14.124 0.000) 14.124 5.976 ( 0.000 0.038 0.000) 0.038 6.418 ( 0.000 4.264 0.000) 4.264 6.681 ( 0.000 3.644 0.000) 3.644 6.724 ( 0.000 -2.061 0.000) 2.061 7.071 ( 0.000 7.319 0.000) 7.319 7.411 ( 0.000 -3.388 0.000) 3.388 7.706 ( 0.000 -2.440 0.000) 2.440 7.757 ( 0.000 0.078 0.000) 0.078 7.981 ( 0.000 -5.514 0.000) 5.514 8.061 ( 0.000 2.525 0.000) 2.525 8.168 ( 0.000 -0.039 0.000) 0.039 8.302 ( 0.000 8.895 0.000) 8.895 8.515 ( 0.000 16.032 0.000) 16.032 8.551 ( 0.000 7.597 0.000) 7.597 8.558 ( 0.000 9.301 0.000) 9.301 8.831 ( 0.000 -0.221 0.000) 0.221 9.179 ( 0.000 -0.149 0.000) 0.149 9.238 ( 0.000 -6.235 0.000) 6.235 9.384 ( 0.000 -6.893 0.000) 6.893 9.599 ( 0.000 20.421 0.000) 20.421 9.775 ( 0.000 3.670 0.000) 3.670 9.833 ( 0.000 7.845 0.000) 7.845 10.000 ( 0.000 -1.733 0.000) 1.733 10.603 ( 0.000 -18.540 0.000) 18.540 10.710 ( 0.000 3.105 0.000) 3.105 10.800 ( 0.000 -7.287 0.000) 7.287 11.460 ( 0.000 -3.621 0.000) 3.621 11.636 ( 0.000 -10.353 0.000) 10.353 11.742 ( 0.000 -7.841 0.000) 7.841 11.775 ( 0.000 -18.807 0.000) 18.807 11.904 ( 0.000 -11.490 0.000) 11.490 12.064 ( 0.000 -11.160 0.000) 11.160 12.226 ( 0.000 -9.983 0.000) 9.983 12.248 ( 0.000 -6.926 0.000) 6.926 12.470 ( 0.000 -16.382 0.000) 16.382 12.970 ( 0.000 4.657 0.000) 4.657 13.125 ( 0.000 8.908 0.000) 8.908 15.362 ( 0.000 -15.091 0.000) 15.091 15.467 ( 0.000 0.608 0.000) 0.608 15.620 ( 0.000 -18.521 0.000) 18.521 15.707 ( 0.000 -9.739 0.000) 9.739 15.748 ( 0.000 -15.936 0.000) 15.936 15.910 ( 0.000 10.387 0.000) 10.387 16.185 ( 0.000 -7.256 0.000) 7.256 16.468 ( 0.000 1.493 0.000) 1.493 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 3.764 5.147 0.000) 6.376 1.866 ( -1.573 14.085 0.000) 14.173 2.032 ( -6.482 9.960 0.000) 11.883 2.237 ( -13.729 3.639 0.000) 14.203 2.368 ( 2.691 13.095 0.000) 13.368 2.390 ( 4.455 14.555 0.000) 15.222 2.476 ( 0.206 4.533 0.000) 4.538 2.583 ( 0.319 1.761 0.000) 1.789 2.709 ( 0.273 5.142 0.000) 5.149 2.785 ( 4.827 -0.872 0.000) 4.905 2.939 ( 6.824 2.260 0.000) 7.189 3.104 ( 5.396 -5.028 0.000) 7.375 3.122 ( -9.138 15.638 0.000) 18.112 3.221 ( -12.421 1.072 0.000) 12.467 3.280 ( 1.678 -0.107 0.000) 1.682 3.612 ( 3.653 11.280 0.000) 11.857 3.635 ( 3.776 12.229 0.000) 12.799 3.723 ( -6.236 10.209 0.000) 11.963 3.819 ( 5.390 10.471 0.000) 11.777 3.846 ( -9.605 2.398 0.000) 9.899 3.950 ( -5.074 4.081 0.000) 6.511 4.107 ( 0.826 5.224 0.000) 5.289 4.270 ( 2.818 12.089 0.000) 12.413 4.355 ( -4.594 1.024 0.000) 4.707 4.423 ( 4.787 22.280 0.000) 22.788 4.519 ( -1.270 7.739 0.000) 7.842 4.612 ( -1.015 9.020 0.000) 9.077 4.668 ( -2.031 10.596 0.000) 10.789 4.814 ( -3.000 10.886 0.000) 11.292 4.929 ( -1.013 11.127 0.000) 11.173 5.093 ( 10.805 7.669 0.000) 13.250 5.106 ( 5.802 6.279 0.000) 8.549 5.227 ( 4.155 12.209 0.000) 12.896 5.352 ( 8.513 -11.030 0.000) 13.933 5.394 ( -1.704 5.612 0.000) 5.865 5.467 ( 0.515 10.596 0.000) 10.609 5.731 ( -2.638 19.209 0.000) 19.390 5.757 ( -1.410 9.529 0.000) 9.633 5.880 ( -1.960 13.537 0.000) 13.678 5.941 ( -3.692 -0.131 0.000) 3.695 6.533 ( 10.255 2.947 0.000) 10.670 6.811 ( 12.450 3.198 0.000) 12.855 6.823 ( 8.621 -0.388 0.000) 8.630 7.157 ( 7.312 6.831 0.000) 10.006 7.347 ( -5.201 -2.604 0.000) 5.816 7.647 ( -5.569 1.503 0.000) 5.768 7.715 ( -3.824 -1.160 0.000) 3.996 7.895 ( -8.530 -5.171 0.000) 9.975 8.089 ( 2.438 0.731 0.000) 2.545 8.131 ( -1.215 -0.490 0.000) 1.310 8.281 ( -1.492 7.982 0.000) 8.120 8.482 ( -7.166 10.927 0.000) 13.067 8.587 ( 3.272 9.558 0.000) 10.103 8.629 ( 8.022 14.162 0.000) 16.276 8.822 ( -0.382 -3.734 0.000) 3.753 9.208 ( 2.759 -0.930 0.000) 2.912 9.233 ( -3.300 0.492 0.000) 3.336 9.268 ( -7.654 -11.778 0.000) 14.046 9.605 ( 0.185 17.829 0.000) 17.830 9.757 ( -1.142 6.031 0.000) 6.138 9.786 ( -6.471 2.357 0.000) 6.887 9.886 ( -5.492 4.431 0.000) 7.057 10.742 ( 2.876 1.494 0.000) 3.241 10.759 ( 6.863 -12.095 0.000) 13.906 10.873 ( 11.571 -12.414 0.000) 16.971 11.508 ( 4.352 -7.069 0.000) 8.301 11.589 ( -3.376 -9.492 0.000) 10.074 11.733 ( -3.796 -17.425 0.000) 17.833 11.767 ( -0.975 -16.481 0.000) 16.510 11.841 ( -1.714 -3.685 0.000) 4.064 12.008 ( -4.682 -10.325 0.000) 11.337 12.201 ( -4.563 -5.051 0.000) 6.806 12.398 ( 12.123 -10.561 0.000) 16.078 12.458 ( 0.505 -13.211 0.000) 13.220 12.775 ( -13.945 3.294 0.000) 14.329 13.136 ( -2.953 5.344 0.000) 6.106 15.381 ( 1.852 -14.756 0.000) 14.872 15.524 ( 5.071 1.418 0.000) 5.266 15.598 ( -5.728 -12.697 0.000) 13.929 15.635 ( 1.222 -17.826 0.000) 17.868 15.805 ( 1.097 -13.032 0.000) 13.078 15.896 ( -1.497 9.550 0.000) 9.666 16.233 ( 4.374 -5.737 0.000) 7.214 16.451 ( -1.652 1.152 0.000) 2.014 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.142 17.880 0.000) 17.917 1.861 ( -3.342 8.735 0.000) 9.352 2.004 ( 0.486 2.790 0.000) 2.832 2.006 ( -3.320 5.432 0.000) 6.366 2.375 ( -0.266 12.706 0.000) 12.709 2.410 ( -3.691 11.467 0.000) 12.046 2.579 ( 11.862 11.270 0.000) 16.362 2.654 ( 6.822 3.389 0.000) 7.617 2.783 ( -0.004 4.539 0.000) 4.539 2.841 ( -9.362 4.433 0.000) 10.359 2.917 ( -0.872 6.950 0.000) 7.004 2.953 ( -3.907 -1.084 0.000) 4.055 3.118 ( 5.776 -0.887 0.000) 5.844 3.213 ( 6.038 -1.176 0.000) 6.152 3.255 ( -4.402 1.483 0.000) 4.646 3.439 ( -16.903 -0.693 0.000) 16.918 3.707 ( 4.086 13.763 0.000) 14.357 3.739 ( 4.499 14.521 0.000) 15.202 3.803 ( 4.159 11.483 0.000) 12.213 3.839 ( -2.461 12.573 0.000) 12.812 3.855 ( -1.465 0.930 0.000) 1.735 4.041 ( -10.436 1.063 0.000) 10.490 4.352 ( 7.662 10.256 0.000) 12.802 4.373 ( 6.069 8.334 0.000) 10.309 4.487 ( -3.624 3.916 0.000) 5.336 4.527 ( -3.597 11.095 0.000) 11.664 4.542 ( 2.760 21.790 0.000) 21.964 4.634 ( -2.561 13.647 0.000) 13.885 4.799 ( 2.440 11.541 0.000) 11.796 4.880 ( -3.983 6.857 0.000) 7.930 5.218 ( 5.063 8.814 0.000) 10.165 5.258 ( 3.268 11.470 0.000) 11.927 5.296 ( 2.747 10.326 0.000) 10.685 5.348 ( -2.821 5.553 0.000) 6.228 5.492 ( 2.986 5.040 0.000) 5.858 5.524 ( 4.538 -8.862 0.000) 9.957 5.692 ( 1.417 15.255 0.000) 15.321 5.760 ( 1.670 12.159 0.000) 12.273 5.826 ( -3.210 12.735 0.000) 13.134 5.827 ( -7.168 1.385 0.000) 7.300 6.773 ( 12.569 0.717 0.000) 12.589 6.953 ( -1.068 -0.502 0.000) 1.180 7.101 ( 12.887 4.066 0.000) 13.513 7.191 ( -0.840 7.597 0.000) 7.643 7.388 ( 7.521 0.168 0.000) 7.523 7.507 ( -7.324 4.604 0.000) 8.651 7.628 ( -3.197 -3.419 0.000) 4.681 7.703 ( -8.976 -4.885 0.000) 10.220 8.129 ( 0.413 -0.814 0.000) 0.913 8.131 ( 0.993 -0.873 0.000) 1.322 8.256 ( -0.144 8.189 0.000) 8.191 8.318 ( -6.963 10.555 0.000) 12.644 8.695 ( 7.550 9.699 0.000) 12.291 8.753 ( 3.239 9.685 0.000) 10.212 8.827 ( 1.112 -4.764 0.000) 4.892 8.979 ( -13.946 -2.201 0.000) 14.118 9.271 ( 2.545 -1.788 0.000) 3.110 9.274 ( 1.734 -3.746 0.000) 4.128 9.586 ( -1.182 7.702 0.000) 7.792 9.631 ( -6.188 -0.133 0.000) 6.190 9.768 ( 2.307 12.239 0.000) 12.454 9.822 ( -2.666 11.807 0.000) 12.104 10.800 ( 2.225 -2.383 0.000) 3.260 10.814 ( 0.836 -6.052 0.000) 6.110 11.201 ( 17.209 -16.622 0.000) 23.925 11.488 ( -9.736 -14.673 0.000) 17.609 11.607 ( 4.306 -17.814 0.000) 18.327 11.636 ( -1.835 -17.562 0.000) 17.658 11.736 ( -1.242 -6.189 0.000) 6.313 11.790 ( -5.061 -5.686 0.000) 7.612 11.976 ( 3.009 -2.587 0.000) 3.968 12.082 ( -6.578 -1.235 0.000) 6.693 12.439 ( 1.281 -12.366 0.000) 12.432 12.532 ( -8.701 -4.929 0.000) 10.000 12.708 ( 15.179 -4.324 0.000) 15.782 12.984 ( -11.557 0.357 0.000) 11.562 15.432 ( 3.147 -13.592 0.000) 13.952 15.502 ( -3.881 -12.026 0.000) 12.636 15.629 ( 3.848 -4.142 0.000) 5.653 15.655 ( 0.494 -14.450 0.000) 14.458 15.807 ( 0.563 -6.666 0.000) 6.689 15.850 ( -2.888 5.457 0.000) 6.174 16.329 ( 4.569 -2.948 0.000) 5.437 16.404 ( -2.984 -0.310 0.000) 3.000 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 4.757 0.000) 4.757 2.008 ( 0.000 5.998 0.000) 5.998 2.405 ( 0.000 -0.236 0.000) 0.236 2.461 ( 0.000 2.468 0.000) 2.468 2.513 ( 0.000 14.169 0.000) 14.169 2.543 ( 0.000 -3.367 0.000) 3.367 2.569 ( 0.000 10.452 0.000) 10.452 2.595 ( 0.000 7.363 0.000) 7.363 2.780 ( 0.000 3.384 0.000) 3.384 2.833 ( 0.000 12.845 0.000) 12.845 2.895 ( 0.000 0.559 0.000) 0.559 3.084 ( 0.000 5.899 0.000) 5.899 3.179 ( 0.000 -5.418 0.000) 5.418 3.290 ( 0.000 -9.483 0.000) 9.483 3.536 ( 0.000 13.878 0.000) 13.878 3.666 ( 0.000 0.794 0.000) 0.794 3.744 ( 0.000 3.644 0.000) 3.644 3.776 ( 0.000 -3.336 0.000) 3.336 3.814 ( 0.000 -2.879 0.000) 2.879 3.930 ( 0.000 -4.215 0.000) 4.215 4.170 ( 0.000 11.928 0.000) 11.928 4.296 ( 0.000 9.439 0.000) 9.439 4.363 ( 0.000 2.898 0.000) 2.898 4.388 ( 0.000 2.600 0.000) 2.600 4.626 ( 0.000 -1.504 0.000) 1.504 4.709 ( 0.000 -0.084 0.000) 0.084 4.843 ( 0.000 -2.847 0.000) 2.847 4.847 ( 0.000 11.890 0.000) 11.890 4.926 ( 0.000 2.699 0.000) 2.699 5.005 ( 0.000 -2.415 0.000) 2.415 5.048 ( 0.000 13.762 0.000) 13.762 5.222 ( 0.000 10.517 0.000) 10.517 5.274 ( 0.000 14.673 0.000) 14.673 5.454 ( 0.000 -0.524 0.000) 0.524 5.484 ( 0.000 14.575 0.000) 14.575 5.596 ( 0.000 0.638 0.000) 0.638 6.058 ( 0.000 16.832 0.000) 16.832 6.093 ( 0.000 11.485 0.000) 11.485 6.172 ( 0.000 19.097 0.000) 19.097 6.172 ( 0.000 13.211 0.000) 13.211 6.531 ( 0.000 6.542 0.000) 6.542 6.757 ( 0.000 3.270 0.000) 3.270 6.768 ( 0.000 5.972 0.000) 5.972 7.170 ( 0.000 0.312 0.000) 0.312 7.402 ( 0.000 4.544 0.000) 4.544 7.717 ( 0.000 4.453 0.000) 4.453 7.762 ( 0.000 0.209 0.000) 0.209 7.873 ( 0.000 -4.406 0.000) 4.406 8.090 ( 0.000 1.275 0.000) 1.275 8.153 ( 0.000 -2.906 0.000) 2.906 8.457 ( 0.000 8.798 0.000) 8.798 8.474 ( 0.000 -9.599 0.000) 9.599 8.681 ( 0.000 5.350 0.000) 5.350 8.812 ( 0.000 12.110 0.000) 12.110 8.988 ( 0.000 -14.824 0.000) 14.824 9.055 ( 0.000 14.357 0.000) 14.357 9.173 ( 0.000 0.498 0.000) 0.498 9.314 ( 0.000 -2.810 0.000) 2.810 9.857 ( 0.000 5.067 0.000) 5.067 9.865 ( 0.000 -5.134 0.000) 5.134 9.974 ( 0.000 16.976 0.000) 16.976 10.017 ( 0.000 3.330 0.000) 3.330 10.265 ( 0.000 -14.759 0.000) 14.759 10.690 ( 0.000 -3.729 0.000) 3.729 10.745 ( 0.000 0.268 0.000) 0.268 11.168 ( 0.000 -20.532 0.000) 20.532 11.347 ( 0.000 -25.284 0.000) 25.284 11.419 ( 0.000 -12.026 0.000) 12.026 11.682 ( 0.000 4.362 0.000) 4.362 11.820 ( 0.000 -11.746 0.000) 11.746 11.890 ( 0.000 2.919 0.000) 2.919 12.105 ( 0.000 -2.813 0.000) 2.813 12.128 ( 0.000 -5.524 0.000) 5.524 12.183 ( 0.000 -12.118 0.000) 12.118 13.078 ( 0.000 5.638 0.000) 5.638 13.252 ( 0.000 4.008 0.000) 4.008 15.090 ( 0.000 -11.475 0.000) 11.475 15.283 ( 0.000 -15.178 0.000) 15.178 15.407 ( 0.000 -6.269 0.000) 6.269 15.466 ( 0.000 -11.958 0.000) 11.958 15.608 ( 0.000 0.150 0.000) 0.150 16.043 ( 0.000 -7.132 0.000) 7.132 16.104 ( 0.000 9.212 0.000) 9.212 16.494 ( 0.000 0.554 0.000) 0.554 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 2.465 3.654 0.000) 4.408 2.003 ( -0.170 4.277 0.000) 4.280 2.281 ( -10.239 0.198 0.000) 10.241 2.303 ( -9.786 12.021 0.000) 15.500 2.560 ( 7.372 6.471 0.000) 9.809 2.585 ( 3.891 0.046 0.000) 3.891 2.626 ( 0.906 11.793 0.000) 11.827 2.653 ( 2.474 7.665 0.000) 8.055 2.797 ( 1.991 2.937 0.000) 3.548 2.846 ( -1.113 6.174 0.000) 6.273 2.966 ( 5.894 2.079 0.000) 6.250 3.064 ( -0.558 3.844 0.000) 3.884 3.179 ( -6.343 -4.237 0.000) 7.628 3.216 ( 1.983 -5.861 0.000) 6.188 3.400 ( -10.603 11.853 0.000) 15.903 3.721 ( -6.039 -0.003 0.000) 6.039 3.734 ( 3.442 -1.467 0.000) 3.741 3.790 ( -5.922 -0.670 0.000) 5.960 3.903 ( 3.676 3.861 0.000) 5.331 3.922 ( 13.097 -2.108 0.000) 13.265 4.113 ( -4.166 10.575 0.000) 11.366 4.232 ( -5.415 7.544 0.000) 9.286 4.345 ( -2.963 3.004 0.000) 4.219 4.372 ( 1.011 4.261 0.000) 4.379 4.635 ( -3.915 2.837 0.000) 4.835 4.639 ( 0.070 -1.403 0.000) 1.404 4.838 ( -1.041 3.463 0.000) 3.616 4.943 ( 4.310 17.036 0.000) 17.572 4.978 ( 4.521 3.076 0.000) 5.468 5.083 ( 6.359 -9.273 0.000) 11.244 5.087 ( 5.006 0.824 0.000) 5.073 5.211 ( -5.184 12.181 0.000) 13.238 5.259 ( 3.191 11.058 0.000) 11.509 5.443 ( -1.359 0.507 0.000) 1.450 5.533 ( 4.280 13.427 0.000) 14.093 5.624 ( 2.294 4.429 0.000) 4.988 6.051 ( -0.799 14.834 0.000) 14.856 6.088 ( -0.172 15.314 0.000) 15.315 6.134 ( -2.573 18.341 0.000) 18.520 6.167 ( -1.410 15.522 0.000) 15.586 6.629 ( 8.735 5.929 0.000) 10.557 6.846 ( 6.464 2.833 0.000) 7.058 6.861 ( 10.247 1.341 0.000) 10.335 7.232 ( 5.214 -2.193 0.000) 5.656 7.390 ( -0.384 8.817 0.000) 8.825 7.698 ( -2.006 4.732 0.000) 5.140 7.710 ( -4.666 1.047 0.000) 4.782 7.811 ( -6.219 -2.312 0.000) 6.635 8.102 ( 1.018 0.785 0.000) 1.285 8.130 ( -1.703 -1.156 0.000) 2.059 8.401 ( -3.027 6.132 0.000) 6.839 8.483 ( 0.662 -7.666 0.000) 7.694 8.678 ( -1.375 2.502 0.000) 2.855 8.903 ( 1.987 10.269 0.000) 10.459 8.968 ( -6.027 11.918 0.000) 13.355 8.982 ( 1.814 -13.436 0.000) 13.558 9.197 ( 2.482 1.397 0.000) 2.849 9.245 ( -4.516 -0.539 0.000) 4.548 9.734 ( -8.734 -3.800 0.000) 9.525 9.840 ( -3.063 8.602 0.000) 9.131 9.982 ( 1.359 13.852 0.000) 13.919 10.021 ( 0.731 5.625 0.000) 5.672 10.468 ( 14.928 -15.705 0.000) 21.668 10.715 ( 2.755 -4.860 0.000) 5.586 10.745 ( -0.049 -1.329 0.000) 1.330 11.161 ( -0.561 -21.427 0.000) 21.434 11.280 ( -5.249 -24.895 0.000) 25.443 11.365 ( -6.267 -14.799 0.000) 16.072 11.696 ( 1.178 3.367 0.000) 3.567 11.748 ( -3.212 -6.006 0.000) 6.811 11.917 ( 1.525 -0.182 0.000) 1.536 12.099 ( -2.718 -5.202 0.000) 5.869 12.184 ( 2.591 -8.590 0.000) 8.973 12.303 ( 14.387 -4.510 0.000) 15.077 12.871 ( -16.597 5.890 0.000) 17.611 13.206 ( -6.920 1.444 0.000) 7.069 15.115 ( 2.450 -11.218 0.000) 11.482 15.309 ( 2.378 -14.683 0.000) 14.874 15.353 ( -4.274 -9.760 0.000) 10.655 15.471 ( -0.155 -8.946 0.000) 8.948 15.678 ( 6.280 1.403 0.000) 6.435 16.077 ( -2.765 8.756 0.000) 9.183 16.118 ( 6.671 -5.958 0.000) 8.944 16.469 ( -2.549 0.128 0.000) 2.553 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.122 2.358 0.000) 3.913 2.001 ( -0.622 2.386 0.000) 2.465 2.129 ( -3.716 6.138 0.000) 7.176 2.143 ( -4.975 10.826 0.000) 11.915 2.604 ( -0.464 7.958 0.000) 7.972 2.627 ( -2.618 9.138 0.000) 9.505 2.706 ( 6.728 3.936 0.000) 7.795 2.728 ( 6.683 5.009 0.000) 8.352 2.820 ( -1.108 -0.795 0.000) 1.364 2.855 ( -5.070 -2.417 0.000) 5.616 3.002 ( 8.716 3.807 0.000) 9.511 3.080 ( 2.255 7.100 0.000) 7.449 3.171 ( -6.714 4.658 0.000) 8.172 3.218 ( -7.504 4.849 0.000) 8.934 3.224 ( 7.456 0.715 0.000) 7.490 3.431 ( -15.145 0.845 0.000) 15.168 3.783 ( 1.567 -4.468 0.000) 4.735 3.789 ( 1.168 -3.980 0.000) 4.148 4.003 ( 4.740 9.078 0.000) 10.241 4.065 ( 1.634 12.671 0.000) 12.776 4.084 ( -3.792 11.733 0.000) 12.330 4.167 ( -2.241 9.171 0.000) 9.441 4.296 ( 6.096 -9.141 0.000) 10.988 4.415 ( 0.545 -2.372 0.000) 2.434 4.579 ( -2.293 5.313 0.000) 5.787 4.586 ( -4.308 1.880 0.000) 4.701 4.863 ( 3.828 7.352 0.000) 8.288 4.948 ( -3.041 13.037 0.000) 13.387 5.055 ( 3.003 7.528 0.000) 8.105 5.113 ( -3.611 11.323 0.000) 11.884 5.199 ( 3.772 -12.450 0.000) 13.008 5.201 ( 3.679 -9.747 0.000) 10.418 5.332 ( 3.864 9.392 0.000) 10.156 5.401 ( -2.828 4.673 0.000) 5.462 5.622 ( 3.770 10.519 0.000) 11.174 5.658 ( 0.336 7.541 0.000) 7.549 6.038 ( 0.242 16.628 0.000) 16.630 6.074 ( -3.028 19.644 0.000) 19.876 6.097 ( 1.129 17.806 0.000) 17.842 6.130 ( -1.996 16.262 0.000) 16.384 6.820 ( 8.994 3.152 0.000) 9.530 6.931 ( -0.507 -1.060 0.000) 1.175 7.123 ( 13.565 -2.360 0.000) 13.769 7.288 ( -1.575 -3.020 0.000) 3.406 7.454 ( 7.063 9.899 0.000) 12.161 7.620 ( -2.500 3.970 0.000) 4.692 7.633 ( -8.426 8.770 0.000) 12.162 7.645 ( -4.982 0.362 0.000) 4.995 8.116 ( 0.240 -0.770 0.000) 0.806 8.119 ( 0.346 -0.421 0.000) 0.545 8.376 ( 0.997 4.730 0.000) 4.834 8.450 ( -5.043 3.105 0.000) 5.922 8.662 ( 3.607 -7.712 0.000) 8.514 8.808 ( -8.433 -9.148 0.000) 12.442 8.917 ( 0.835 7.282 0.000) 7.330 8.969 ( -3.787 4.564 0.000) 5.931 9.262 ( 3.241 2.642 0.000) 4.181 9.267 ( 3.835 3.807 0.000) 5.404 9.624 ( -0.352 1.294 0.000) 1.341 9.723 ( -7.591 8.250 0.000) 11.211 10.018 ( 1.555 10.772 0.000) 10.883 10.032 ( 0.119 8.243 0.000) 8.243 10.690 ( 4.675 -7.584 0.000) 8.909 10.737 ( -0.998 -4.180 0.000) 4.298 10.871 ( 14.207 -15.655 0.000) 21.141 11.155 ( 0.303 -23.260 0.000) 23.262 11.162 ( -12.903 -19.405 0.000) 23.303 11.189 ( -3.681 -23.249 0.000) 23.539 11.715 ( 0.489 1.184 0.000) 1.281 11.718 ( -0.243 -1.836 0.000) 1.852 11.964 ( 3.059 -1.487 0.000) 3.401 12.032 ( -3.622 -4.076 0.000) 5.453 12.279 ( 8.066 -2.774 0.000) 8.529 12.525 ( -16.108 3.600 0.000) 16.505 12.636 ( 17.674 -3.596 0.000) 18.036 12.974 ( -15.286 -1.847 0.000) 15.397 15.184 ( 4.192 -10.477 0.000) 11.284 15.269 ( -4.163 -9.824 0.000) 10.669 15.366 ( 3.181 -13.422 0.000) 13.794 15.433 ( -3.209 -11.692 0.000) 12.124 15.837 ( 8.636 5.240 0.000) 10.101 15.989 ( -6.141 7.433 0.000) 9.641 16.266 ( 7.329 -3.610 0.000) 8.169 16.392 ( -5.106 -1.297 0.000) 5.268 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 6.268 0.000) 6.268 2.136 ( 0.000 7.125 0.000) 7.125 2.296 ( 0.000 -8.464 0.000) 8.464 2.404 ( 0.000 -5.088 0.000) 5.088 2.602 ( 0.000 7.014 0.000) 7.014 2.697 ( 0.000 4.917 0.000) 4.917 2.716 ( 0.000 4.797 0.000) 4.797 2.787 ( 0.000 6.508 0.000) 6.508 2.891 ( 0.000 -0.862 0.000) 0.862 2.915 ( 0.000 9.418 0.000) 9.418 3.047 ( 0.000 -6.995 0.000) 6.995 3.068 ( 0.000 -3.828 0.000) 3.828 3.113 ( 0.000 10.371 0.000) 10.371 3.273 ( 0.000 9.822 0.000) 9.822 3.585 ( 0.000 -8.576 0.000) 8.576 3.657 ( 0.000 -7.531 0.000) 7.531 3.699 ( 0.000 -1.316 0.000) 1.316 3.711 ( 0.000 -5.899 0.000) 5.899 3.781 ( 0.000 4.952 0.000) 4.952 3.887 ( 0.000 -0.951 0.000) 0.951 4.368 ( 0.000 7.601 0.000) 7.601 4.449 ( 0.000 5.758 0.000) 5.758 4.453 ( 0.000 4.843 0.000) 4.843 4.455 ( 0.000 2.756 0.000) 2.756 4.635 ( 0.000 3.449 0.000) 3.449 4.669 ( 0.000 -2.613 0.000) 2.613 4.719 ( 0.000 -6.531 0.000) 6.531 4.844 ( 0.000 -3.958 0.000) 3.958 4.941 ( 0.000 -0.750 0.000) 0.750 4.949 ( 0.000 -2.094 0.000) 2.094 5.387 ( 0.000 5.392 0.000) 5.392 5.433 ( 0.000 0.480 0.000) 0.480 5.442 ( 0.000 7.849 0.000) 7.849 5.512 ( 0.000 14.252 0.000) 14.252 5.609 ( 0.000 2.337 0.000) 2.337 5.697 ( 0.000 6.229 0.000) 6.229 6.328 ( 0.000 10.005 0.000) 10.005 6.335 ( 0.000 10.165 0.000) 10.165 6.410 ( 0.000 10.154 0.000) 10.154 6.462 ( 0.000 9.609 0.000) 9.609 6.654 ( 0.000 5.520 0.000) 5.520 6.788 ( 0.000 -0.390 0.000) 0.390 6.907 ( 0.000 6.715 0.000) 6.715 7.109 ( 0.000 -4.672 0.000) 4.672 7.552 ( 0.000 8.463 0.000) 8.463 7.752 ( 0.000 -1.542 0.000) 1.542 7.832 ( 0.000 0.639 0.000) 0.639 7.887 ( 0.000 11.682 0.000) 11.682 8.051 ( 0.000 -5.809 0.000) 5.809 8.119 ( 0.000 1.650 0.000) 1.650 8.293 ( 0.000 -8.089 0.000) 8.089 8.596 ( 0.000 -19.414 0.000) 19.414 8.678 ( 0.000 13.106 0.000) 13.106 8.786 ( 0.000 6.012 0.000) 6.012 9.067 ( 0.000 -5.813 0.000) 5.813 9.068 ( 0.000 4.939 0.000) 4.939 9.262 ( 0.000 1.350 0.000) 1.350 9.443 ( 0.000 19.409 0.000) 19.409 9.704 ( 0.000 -10.567 0.000) 10.567 9.949 ( 0.000 2.028 0.000) 2.028 10.039 ( 0.000 -1.522 0.000) 1.522 10.046 ( 0.000 -6.849 0.000) 6.849 10.265 ( 0.000 12.536 0.000) 12.536 10.653 ( 0.000 -0.085 0.000) 0.085 10.711 ( 0.000 -5.828 0.000) 5.828 10.832 ( 0.000 -12.060 0.000) 12.060 10.882 ( 0.000 -16.440 0.000) 16.440 11.139 ( 0.000 -15.746 0.000) 15.746 11.682 ( 0.000 -1.659 0.000) 1.659 11.793 ( 0.000 6.064 0.000) 6.064 11.871 ( 0.000 -6.567 0.000) 6.567 12.021 ( 0.000 -5.411 0.000) 5.411 12.050 ( 0.000 -0.296 0.000) 0.296 12.080 ( 0.000 -0.428 0.000) 0.428 13.180 ( 0.000 4.585 0.000) 4.585 13.288 ( 0.000 -0.171 0.000) 0.171 14.928 ( 0.000 -4.679 0.000) 4.679 15.034 ( 0.000 -9.662 0.000) 9.662 15.287 ( 0.000 -4.828 0.000) 4.828 15.289 ( 0.000 -5.824 0.000) 5.824 15.663 ( 0.000 4.562 0.000) 4.562 15.904 ( 0.000 -6.923 0.000) 6.923 16.272 ( 0.000 7.636 0.000) 7.636 16.478 ( 0.000 -2.351 0.000) 2.351 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.589 5.175 0.000) 5.208 2.101 ( -2.557 6.001 0.000) 6.523 2.231 ( -4.444 -5.101 0.000) 6.765 2.365 ( -4.613 -4.354 0.000) 6.343 2.662 ( -0.818 6.879 0.000) 6.927 2.693 ( 7.976 5.783 0.000) 9.852 2.737 ( 0.890 3.202 0.000) 3.323 2.814 ( 1.005 6.048 0.000) 6.131 2.850 ( -4.605 -1.423 0.000) 4.820 2.897 ( -1.982 5.746 0.000) 6.078 3.050 ( 1.129 -6.617 0.000) 6.712 3.086 ( 1.171 -5.622 0.000) 5.743 3.152 ( 2.989 12.104 0.000) 12.468 3.243 ( 0.531 10.568 0.000) 10.581 3.565 ( -7.006 4.357 0.000) 8.250 3.638 ( 1.267 -7.055 0.000) 7.168 3.693 ( -4.492 -2.471 0.000) 5.127 3.775 ( 12.552 -10.576 0.000) 16.413 3.781 ( -4.603 1.729 0.000) 4.917 3.937 ( 6.397 -1.168 0.000) 6.503 4.300 ( -4.178 7.713 0.000) 8.772 4.375 ( -5.018 6.525 0.000) 8.231 4.427 ( -2.655 0.630 0.000) 2.729 4.445 ( -2.584 4.762 0.000) 5.418 4.666 ( 1.890 4.798 0.000) 5.157 4.667 ( 0.292 0.859 0.000) 0.907 4.779 ( 4.353 -6.937 0.000) 8.189 4.912 ( 4.733 -6.353 0.000) 7.922 4.964 ( 2.449 -1.529 0.000) 2.888 4.983 ( 3.855 -1.833 0.000) 4.269 5.271 ( -7.148 4.762 0.000) 8.590 5.328 ( -7.114 -0.026 0.000) 7.114 5.530 ( 4.242 9.396 0.000) 10.309 5.537 ( 2.145 13.438 0.000) 13.608 5.694 ( 5.237 2.420 0.000) 5.769 5.723 ( 2.305 5.274 0.000) 5.755 6.315 ( -0.046 11.022 0.000) 11.022 6.361 ( 1.371 9.840 0.000) 9.935 6.411 ( 0.013 10.758 0.000) 10.758 6.451 ( -1.490 10.314 0.000) 10.421 6.735 ( 7.115 4.370 0.000) 8.350 6.857 ( 6.795 -1.617 0.000) 6.985 6.921 ( 1.188 4.371 0.000) 4.530 7.139 ( 2.305 -6.130 0.000) 6.549 7.593 ( 3.936 10.022 0.000) 10.767 7.747 ( -0.398 1.876 0.000) 1.918 7.779 ( -4.113 3.110 0.000) 5.157 7.896 ( -0.303 9.896 0.000) 9.901 8.058 ( 0.769 -4.247 0.000) 4.316 8.119 ( -0.072 1.080 0.000) 1.082 8.311 ( 2.207 -8.648 0.000) 8.925 8.537 ( -4.331 -1.170 0.000) 4.487 8.662 ( -2.147 -5.929 0.000) 6.306 8.738 ( -4.907 4.320 0.000) 6.538 9.003 ( -5.617 -5.724 0.000) 8.020 9.038 ( -4.675 -4.551 0.000) 6.525 9.311 ( 6.811 11.102 0.000) 13.024 9.433 ( 0.399 19.575 0.000) 19.579 9.683 ( -1.366 -1.794 0.000) 2.255 10.001 ( 3.281 4.639 0.000) 5.681 10.063 ( 2.110 -1.550 0.000) 2.618 10.172 ( 10.968 -13.338 0.000) 17.268 10.203 ( -6.097 8.762 0.000) 10.674 10.657 ( 0.378 -1.073 0.000) 1.138 10.690 ( -2.188 -5.679 0.000) 6.086 10.808 ( -5.536 -17.692 0.000) 18.538 10.816 ( -1.311 -11.996 0.000) 12.068 11.051 ( -8.228 -15.936 0.000) 17.935 11.686 ( 0.843 0.242 0.000) 0.878 11.786 ( -0.770 5.120 0.000) 5.178 11.867 ( 0.324 -5.691 0.000) 5.701 11.995 ( -2.426 -5.292 0.000) 5.822 12.116 ( 6.731 1.479 0.000) 6.892 12.237 ( 13.326 -2.857 0.000) 13.628 12.992 ( -15.900 6.189 0.000) 17.062 13.191 ( -10.383 -2.776 0.000) 10.748 14.958 ( 2.935 -4.409 0.000) 5.296 15.068 ( 3.086 -9.466 0.000) 9.956 15.218 ( -3.927 -3.755 0.000) 5.434 15.300 ( -1.685 -7.172 0.000) 7.368 15.756 ( 8.489 5.324 0.000) 10.020 15.997 ( 8.256 -6.272 0.000) 10.368 16.239 ( -3.400 7.432 0.000) 8.173 16.445 ( -3.264 -2.602 0.000) 4.174 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.212 3.589 0.000) 4.216 2.056 ( -1.986 4.036 0.000) 4.498 2.183 ( 0.418 -1.233 0.000) 1.301 2.249 ( -5.591 -0.923 0.000) 5.667 2.670 ( 1.323 3.110 0.000) 3.380 2.717 ( -2.615 1.217 0.000) 2.884 2.760 ( -1.030 -2.454 0.000) 2.662 2.797 ( -3.195 0.399 0.000) 3.220 2.883 ( 2.306 7.297 0.000) 7.652 2.883 ( 6.811 6.601 0.000) 9.485 3.025 ( -1.719 0.915 0.000) 1.948 3.078 ( -2.794 -4.632 0.000) 5.410 3.254 ( 8.037 3.956 0.000) 8.958 3.354 ( 8.013 13.542 0.000) 15.735 3.428 ( -7.798 5.041 0.000) 9.286 3.526 ( -9.801 10.107 0.000) 14.079 3.656 ( 1.102 -6.174 0.000) 6.271 3.698 ( -3.183 -3.175 0.000) 4.496 4.035 ( 10.585 -13.922 0.000) 17.489 4.068 ( 5.421 -5.099 0.000) 7.442 4.262 ( 0.815 7.071 0.000) 7.118 4.281 ( -3.210 8.091 0.000) 8.704 4.348 ( -5.263 -0.596 0.000) 5.296 4.355 ( -5.368 5.998 0.000) 8.049 4.676 ( 0.351 4.296 0.000) 4.311 4.681 ( -0.163 6.310 0.000) 6.312 4.878 ( 5.542 -6.233 0.000) 8.340 4.960 ( -1.093 -8.498 0.000) 8.568 5.039 ( 4.497 -1.497 0.000) 4.739 5.085 ( 5.618 -1.480 0.000) 5.810 5.137 ( -5.775 2.646 0.000) 6.352 5.197 ( -5.834 -0.450 0.000) 5.852 5.579 ( 1.577 12.248 0.000) 12.349 5.585 ( 1.175 11.051 0.000) 11.113 5.768 ( 1.872 2.901 0.000) 3.453 5.768 ( 1.618 3.712 0.000) 4.049 6.337 ( 2.296 11.973 0.000) 12.191 6.386 ( 1.177 10.261 0.000) 10.328 6.395 ( -2.753 11.828 0.000) 12.144 6.408 ( -1.288 10.698 0.000) 10.775 6.873 ( 5.453 2.329 0.000) 5.930 6.933 ( -0.660 1.680 0.000) 1.805 7.034 ( 9.161 -5.614 0.000) 10.745 7.154 ( -2.126 -8.244 0.000) 8.514 7.675 ( 2.419 10.011 0.000) 10.299 7.706 ( -2.395 6.028 0.000) 6.486 7.760 ( 3.213 8.313 0.000) 8.912 7.851 ( -4.121 10.002 0.000) 10.817 8.084 ( 1.579 -0.977 0.000) 1.857 8.110 ( -0.933 0.035 0.000) 0.933 8.395 ( 5.807 -8.954 0.000) 10.672 8.473 ( -1.747 1.158 0.000) 2.096 8.586 ( -4.497 -6.988 0.000) 8.310 8.605 ( -6.555 3.788 0.000) 7.571 8.914 ( -1.991 -6.507 0.000) 6.805 8.935 ( -3.904 -7.926 0.000) 8.835 9.461 ( 4.496 14.613 0.000) 15.289 9.466 ( 2.026 16.934 0.000) 17.055 9.714 ( 6.980 7.087 0.000) 9.947 9.937 ( -11.432 13.235 0.000) 17.488 10.105 ( 1.647 -1.781 0.000) 2.425 10.118 ( -0.220 -3.329 0.000) 3.336 10.423 ( 12.789 -18.631 0.000) 22.598 10.621 ( -5.613 -11.141 0.000) 12.475 10.669 ( 0.918 -4.617 0.000) 4.707 10.712 ( -3.857 -15.426 0.000) 15.901 10.798 ( 0.280 -11.032 0.000) 11.036 10.869 ( -7.625 -11.938 0.000) 14.165 11.718 ( 2.181 1.834 0.000) 2.850 11.760 ( -1.784 3.238 0.000) 3.697 11.888 ( 1.738 -5.315 0.000) 5.592 11.937 ( -3.027 -5.140 0.000) 5.965 12.317 ( 13.316 5.150 0.000) 14.277 12.552 ( 17.373 -5.092 0.000) 18.103 12.637 ( -18.025 6.946 0.000) 19.318 12.904 ( -17.081 -5.184 0.000) 17.851 15.039 ( 4.840 -3.974 0.000) 6.263 15.135 ( -4.495 -3.578 0.000) 5.746 15.144 ( 4.341 -8.744 0.000) 9.763 15.234 ( -4.348 -7.971 0.000) 9.080 15.954 ( 10.217 6.254 0.000) 11.979 16.133 ( -7.250 6.916 0.000) 10.020 16.183 ( 9.355 -4.855 0.000) 10.539 16.346 ( -6.673 -3.445 0.000) 7.509 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -8.213 0.000) 8.213 2.126 ( 0.000 8.213 0.000) 8.213 2.281 ( 0.000 -7.168 0.000) 7.168 2.281 ( 0.000 7.168 0.000) 7.168 2.741 ( 0.000 -4.192 0.000) 4.192 2.741 ( 0.000 4.192 0.000) 4.192 2.781 ( 0.000 -4.118 0.000) 4.118 2.781 ( 0.000 4.118 0.000) 4.118 2.891 ( 0.000 -3.303 0.000) 3.303 2.891 ( 0.000 3.303 0.000) 3.303 3.047 ( 0.000 -2.214 0.000) 2.214 3.047 ( 0.000 2.214 0.000) 2.214 3.368 ( 0.000 -12.519 0.000) 12.519 3.368 ( 0.000 12.519 0.000) 12.519 3.481 ( 0.000 -10.217 0.000) 10.217 3.481 ( 0.000 10.218 0.000) 10.218 3.645 ( 0.000 -0.487 0.000) 0.487 3.645 ( 0.000 0.487 0.000) 0.487 3.862 ( 0.000 -2.230 0.000) 2.230 3.862 ( 0.000 2.230 0.000) 2.230 4.463 ( 0.000 -2.051 0.000) 2.051 4.463 ( 0.000 2.051 0.000) 2.051 4.513 ( 0.000 -0.051 0.000) 0.051 4.513 ( 0.000 0.051 0.000) 0.051 4.638 ( 0.000 -0.834 0.000) 0.834 4.638 ( 0.000 0.834 0.000) 0.834 4.743 ( 0.000 -6.060 0.000) 6.060 4.743 ( 0.000 6.060 0.000) 6.060 4.929 ( 0.000 -0.003 0.000) 0.003 4.929 ( 0.000 0.003 0.000) 0.003 5.399 ( 0.000 -1.521 0.000) 1.521 5.399 ( 0.000 1.521 0.000) 1.521 5.611 ( 0.000 -3.963 0.000) 3.963 5.611 ( 0.000 3.963 0.000) 3.963 5.711 ( 0.000 -4.988 0.000) 4.988 5.711 ( 0.000 4.988 0.000) 4.988 6.436 ( 0.000 -0.276 0.000) 0.276 6.436 ( 0.000 0.276 0.000) 0.276 6.538 ( 0.000 -1.903 0.000) 1.903 6.538 ( 0.000 1.903 0.000) 1.903 6.744 ( 0.000 -3.649 0.000) 3.649 6.744 ( 0.000 3.649 0.000) 3.649 7.016 ( 0.000 -4.704 0.000) 4.704 7.016 ( 0.000 4.704 0.000) 4.704 7.690 ( 0.000 -5.037 0.000) 5.037 7.690 ( 0.000 5.037 0.000) 5.037 7.897 ( 0.000 -5.424 0.000) 5.424 7.897 ( 0.000 5.424 0.000) 5.424 8.170 ( 0.000 -4.143 0.000) 4.143 8.170 ( 0.000 4.143 0.000) 4.143 8.220 ( 0.000 -17.801 0.000) 17.801 8.220 ( 0.000 17.801 0.000) 17.801 8.926 ( 0.000 -7.753 0.000) 7.753 8.926 ( 0.000 7.753 0.000) 7.753 8.941 ( 0.000 -12.317 0.000) 12.317 8.941 ( 0.000 12.317 0.000) 12.317 9.461 ( 0.000 -13.385 0.000) 13.385 9.461 ( 0.000 13.385 0.000) 13.385 9.816 ( 0.000 -15.811 0.000) 15.811 9.816 ( 0.000 15.811 0.000) 15.811 9.996 ( 0.000 -1.117 0.000) 1.117 9.996 ( 0.000 1.117 0.000) 1.117 10.485 ( 0.000 -10.884 0.000) 10.884 10.485 ( 0.000 10.884 0.000) 10.884 10.686 ( 0.000 -3.694 0.000) 3.694 10.686 ( 0.000 3.694 0.000) 3.694 10.867 ( 0.000 -9.377 0.000) 9.377 10.867 ( 0.000 9.377 0.000) 9.377 11.731 ( 0.000 -5.767 0.000) 5.767 11.731 ( 0.000 5.767 0.000) 5.767 11.911 ( 0.000 -5.783 0.000) 5.783 11.911 ( 0.000 5.783 0.000) 5.783 12.069 ( 0.000 -0.920 0.000) 0.920 12.069 ( 0.000 0.921 0.000) 0.921 13.255 ( 0.000 -2.895 0.000) 2.895 13.255 ( 0.000 2.895 0.000) 2.895 14.910 ( 0.000 -2.773 0.000) 2.773 14.910 ( 0.000 2.773 0.000) 2.773 15.235 ( 0.000 -0.176 0.000) 0.176 15.235 ( 0.000 0.177 0.000) 0.177 15.772 ( 0.000 -6.268 0.000) 6.268 15.772 ( 0.000 6.268 0.000) 6.268 16.401 ( 0.000 -5.304 0.000) 5.304 16.401 ( 0.000 5.304 0.000) 5.304 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -1.232 -6.850 0.000) 6.960 2.104 ( -1.232 6.850 0.000) 6.960 2.237 ( -3.682 -7.352 0.000) 8.222 2.237 ( -3.682 7.352 0.000) 8.222 2.760 ( -0.428 -2.038 0.000) 2.082 2.760 ( -0.428 2.038 0.000) 2.082 2.792 ( -0.143 -5.879 0.000) 5.881 2.792 ( -0.143 5.879 0.000) 5.881 2.908 ( 3.526 -7.004 0.000) 7.841 2.908 ( 3.526 7.004 0.000) 7.842 3.010 ( -2.293 -4.448 0.000) 5.005 3.010 ( -2.293 4.448 0.000) 5.005 3.358 ( -0.507 -5.451 0.000) 5.475 3.358 ( -0.507 5.451 0.000) 5.475 3.572 ( 8.138 -6.611 0.000) 10.484 3.572 ( 8.138 6.611 0.000) 10.484 3.625 ( -2.560 -3.381 0.000) 4.240 3.625 ( -2.560 3.381 0.000) 4.240 3.866 ( 0.354 -5.134 0.000) 5.146 3.866 ( 0.354 5.134 0.000) 5.146 4.406 ( -4.194 -2.963 0.000) 5.135 4.406 ( -4.194 2.963 0.000) 5.135 4.473 ( -3.402 -2.526 0.000) 4.237 4.473 ( -3.402 2.526 0.000) 4.237 4.683 ( 3.455 -1.812 0.000) 3.902 4.683 ( 3.455 1.812 0.000) 3.902 4.786 ( 2.740 -6.408 0.000) 6.969 4.786 ( 2.740 6.408 0.000) 6.969 4.957 ( 3.141 -0.591 0.000) 3.196 4.957 ( 3.141 0.592 0.000) 3.196 5.308 ( -6.736 -1.064 0.000) 6.819 5.308 ( -6.736 1.064 0.000) 6.819 5.682 ( 4.655 -4.330 0.000) 6.358 5.682 ( 4.655 4.330 0.000) 6.358 5.727 ( 1.439 -4.991 0.000) 5.195 5.727 ( 1.439 4.991 0.000) 5.195 6.445 ( 0.949 -1.488 0.000) 1.765 6.445 ( 0.949 1.488 0.000) 1.765 6.540 ( -0.251 -1.410 0.000) 1.432 6.540 ( -0.251 1.410 0.000) 1.432 6.807 ( 5.694 -3.156 0.000) 6.510 6.807 ( 5.694 3.156 0.000) 6.510 7.018 ( 0.124 -5.609 0.000) 5.610 7.018 ( 0.124 5.609 0.000) 5.611 7.739 ( 4.274 -3.815 0.000) 5.729 7.739 ( 4.274 3.816 0.000) 5.729 7.879 ( -1.614 -6.533 0.000) 6.729 7.879 ( -1.614 6.533 0.000) 6.729 8.170 ( 0.232 -4.877 0.000) 4.883 8.170 ( 0.232 4.877 0.000) 4.883 8.236 ( 1.314 -17.075 0.000) 17.126 8.236 ( 1.314 17.075 0.000) 17.126 8.846 ( -7.279 -12.260 0.000) 14.258 8.846 ( -7.279 12.260 0.000) 14.258 8.860 ( -5.768 -7.574 0.000) 9.520 8.860 ( -5.768 7.574 0.000) 9.520 9.569 ( 8.798 -11.487 0.000) 14.469 9.569 ( 8.798 11.487 0.000) 14.469 9.839 ( 1.653 -18.855 0.000) 18.927 9.839 ( 1.653 18.855 0.000) 18.927 10.021 ( 2.535 -0.906 0.000) 2.692 10.021 ( 2.535 0.906 0.000) 2.692 10.426 ( -6.111 -13.918 0.000) 15.200 10.426 ( -6.111 13.918 0.000) 15.200 10.677 ( -0.750 -3.309 0.000) 3.393 10.677 ( -0.750 3.309 0.000) 3.393 10.795 ( -5.718 -8.639 0.000) 10.360 10.795 ( -5.718 8.639 0.000) 10.360 11.747 ( 1.405 -5.333 0.000) 5.515 11.747 ( 1.405 5.333 0.000) 5.515 11.890 ( -1.991 -5.348 0.000) 5.707 11.890 ( -1.991 5.349 0.000) 5.707 12.175 ( 9.941 -3.451 0.000) 10.523 12.175 ( 9.941 3.451 0.000) 10.523 13.108 ( -13.527 -5.315 0.000) 14.534 13.108 ( -13.527 5.315 0.000) 14.534 14.943 ( 3.242 -2.914 0.000) 4.359 14.943 ( 3.242 2.914 0.000) 4.359 15.204 ( -2.892 -2.252 0.000) 3.665 15.204 ( -2.892 2.252 0.000) 3.665 15.872 ( 8.922 -6.238 0.000) 10.886 15.872 ( 8.922 6.238 0.000) 10.887 16.366 ( -3.558 -5.330 0.000) 6.408 16.366 ( -3.558 5.330 0.000) 6.409 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.610 -5.281 0.000) 5.521 2.106 ( 1.610 5.281 0.000) 5.521 2.161 ( -3.566 -6.044 0.000) 7.017 2.161 ( -3.566 6.044 0.000) 7.017 2.730 ( -0.941 -0.760 0.000) 1.209 2.730 ( -0.941 0.760 0.000) 1.209 2.751 ( -2.785 -4.144 0.000) 4.993 2.751 ( -2.785 4.144 0.000) 4.993 2.993 ( 2.707 -4.030 0.000) 4.855 2.993 ( 2.707 4.030 0.000) 4.855 3.001 ( 0.847 -4.232 0.000) 4.316 3.001 ( 0.847 4.232 0.000) 4.316 3.390 ( 4.692 -7.870 0.000) 9.163 3.390 ( 4.692 7.870 0.000) 9.163 3.525 ( -7.130 -5.480 0.000) 8.992 3.525 ( -7.130 5.480 0.000) 8.992 3.749 ( 8.126 -14.013 0.000) 16.198 3.749 ( 8.126 14.013 0.000) 16.199 3.856 ( -2.317 -13.371 0.000) 13.571 3.856 ( -2.317 13.371 0.000) 13.571 4.349 ( -0.479 -1.654 0.000) 1.722 4.349 ( -0.479 1.654 0.000) 1.722 4.393 ( -4.043 -2.490 0.000) 4.749 4.393 ( -4.043 2.490 0.000) 4.749 4.756 ( 3.595 -4.602 0.000) 5.839 4.756 ( 3.595 4.602 0.000) 5.839 4.807 ( -0.985 -6.643 0.000) 6.715 4.807 ( -0.985 6.643 0.000) 6.715 5.051 ( 5.805 -1.463 0.000) 5.987 5.051 ( 5.805 1.463 0.000) 5.987 5.174 ( -6.440 -1.381 0.000) 6.587 5.174 ( -6.440 1.381 0.000) 6.587 5.750 ( 1.857 -4.877 0.000) 5.218 5.750 ( 1.857 4.877 0.000) 5.219 5.756 ( 1.012 -5.041 0.000) 5.141 5.756 ( 1.012 5.041 0.000) 5.142 6.475 ( 1.997 -1.476 0.000) 2.483 6.475 ( 1.997 1.476 0.000) 2.483 6.517 ( -1.905 -0.210 0.000) 1.917 6.517 ( -1.905 0.210 0.000) 1.917 6.933 ( 5.730 -4.115 0.000) 7.054 6.933 ( 5.730 4.115 0.000) 7.054 7.007 ( -1.717 -5.883 0.000) 6.129 7.007 ( -1.717 5.883 0.000) 6.129 7.819 ( 2.726 -3.706 0.000) 4.601 7.819 ( 2.726 3.706 0.000) 4.601 7.849 ( -1.110 -7.059 0.000) 7.146 7.849 ( -1.110 7.059 0.000) 7.146 8.197 ( 2.644 -9.198 0.000) 9.571 8.197 ( 2.644 9.198 0.000) 9.571 8.246 ( -1.114 -14.358 0.000) 14.401 8.246 ( -1.114 14.358 0.000) 14.402 8.728 ( -3.149 -11.495 0.000) 11.919 8.728 ( -3.149 11.495 0.000) 11.919 8.745 ( -4.416 -9.057 0.000) 10.076 8.745 ( -4.416 9.057 0.000) 10.076 9.748 ( 7.932 -9.874 0.000) 12.666 9.748 ( 7.932 9.874 0.000) 12.666 9.847 ( -1.743 -19.555 0.000) 19.632 9.847 ( -1.743 19.555 0.000) 19.632 10.100 ( 5.653 -9.368 0.000) 10.941 10.100 ( 5.653 9.368 0.000) 10.941 10.257 ( -9.485 -18.089 0.000) 20.425 10.257 ( -9.485 18.089 0.000) 20.425 10.668 ( 0.240 -3.572 0.000) 3.580 10.668 ( 0.240 3.572 0.000) 3.580 10.700 ( -3.165 -5.735 0.000) 6.550 10.700 ( -3.165 5.735 0.000) 6.550 11.785 ( 2.389 -4.642 0.000) 5.220 11.785 ( 2.389 4.642 0.000) 5.221 11.839 ( -2.863 -4.588 0.000) 5.408 11.839 ( -2.863 4.588 0.000) 5.408 12.437 ( 15.664 -6.317 0.000) 16.890 12.437 ( 15.664 6.317 0.000) 16.890 12.779 ( -17.891 -7.113 0.000) 19.253 12.779 ( -17.891 7.113 0.000) 19.253 15.028 ( 4.922 -2.816 0.000) 5.671 15.028 ( 4.922 2.816 0.000) 5.671 15.127 ( -4.653 -2.654 0.000) 5.357 15.127 ( -4.653 2.654 0.000) 5.357 16.076 ( 10.348 -5.900 0.000) 11.911 16.076 ( 10.348 5.900 0.000) 11.912 16.257 ( -7.397 -5.499 0.000) 9.218 16.257 ( -7.397 5.499 0.000) 9.218 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 0.000 26.715) 26.715 0.604 ( 0.000 0.000 28.559) 28.559 1.047 ( 0.000 0.000 49.631) 49.631 1.506 ( 0.000 0.000 -16.690) 16.690 1.563 ( 0.000 0.000 -16.401) 16.401 1.855 ( 0.000 0.000 8.248) 8.248 1.966 ( 0.000 0.000 5.536) 5.536 2.140 ( 0.000 0.000 -3.202) 3.202 2.218 ( 0.000 0.000 8.363) 8.363 2.280 ( 0.000 0.000 2.168) 2.168 2.315 ( 0.000 0.000 -0.419) 0.419 2.409 ( 0.000 0.000 0.871) 0.871 2.425 ( 0.000 0.000 -3.517) 3.517 2.498 ( 0.000 0.000 -16.906) 16.906 2.554 ( 0.000 0.000 -5.567) 5.567 2.564 ( 0.000 0.000 8.088) 8.088 2.640 ( 0.000 0.000 -7.394) 7.394 2.722 ( 0.000 0.000 -3.484) 3.484 2.840 ( 0.000 0.000 -5.463) 5.463 3.140 ( 0.000 0.000 -29.180) 29.180 3.169 ( 0.000 0.000 7.083) 7.083 3.383 ( 0.000 0.000 -2.820) 2.820 3.451 ( 0.000 0.000 5.139) 5.139 3.761 ( 0.000 0.000 5.448) 5.448 3.911 ( 0.000 0.000 12.032) 12.032 3.958 ( 0.000 0.000 -7.016) 7.016 4.177 ( 0.000 0.000 -18.907) 18.907 4.369 ( 0.000 0.000 13.060) 13.060 4.522 ( 0.000 0.000 8.469) 8.469 4.658 ( 0.000 0.000 4.192) 4.192 4.819 ( 0.000 0.000 -5.674) 5.674 4.876 ( 0.000 0.000 9.897) 9.897 5.040 ( 0.000 0.000 8.787) 8.787 5.296 ( 0.000 0.000 -3.251) 3.251 5.482 ( 0.000 0.000 -7.184) 7.184 5.540 ( 0.000 0.000 -6.090) 6.090 5.772 ( 0.000 0.000 -1.905) 1.905 5.802 ( 0.000 0.000 3.094) 3.094 6.005 ( 0.000 0.000 1.626) 1.626 6.078 ( 0.000 0.000 -1.147) 1.147 6.131 ( 0.000 0.000 11.544) 11.544 6.461 ( 0.000 0.000 -4.467) 4.467 6.611 ( 0.000 0.000 0.349) 0.349 6.654 ( 0.000 0.000 -1.241) 1.241 6.804 ( 0.000 0.000 1.922) 1.922 6.942 ( 0.000 0.000 -3.664) 3.664 7.213 ( 0.000 0.000 2.914) 2.914 7.361 ( 0.000 0.000 0.599) 0.599 7.416 ( 0.000 0.000 -1.621) 1.621 7.434 ( 0.000 0.000 -8.534) 8.534 8.052 ( 0.000 0.000 11.655) 11.655 8.139 ( 0.000 0.000 1.138) 1.138 8.145 ( 0.000 0.000 0.758) 0.758 8.500 ( 0.000 0.000 -8.615) 8.615 8.936 ( 0.000 0.000 1.716) 1.716 8.957 ( 0.000 0.000 10.379) 10.379 9.045 ( 0.000 0.000 -2.445) 2.445 9.371 ( 0.000 0.000 -2.243) 2.243 9.406 ( 0.000 0.000 5.539) 5.539 9.769 ( 0.000 0.000 -11.671) 11.671 9.793 ( 0.000 0.000 0.964) 0.964 9.838 ( 0.000 0.000 -0.793) 0.793 10.682 ( 0.000 0.000 4.395) 4.395 11.144 ( 0.000 0.000 -16.905) 16.905 11.637 ( 0.000 0.000 5.305) 5.305 11.801 ( 0.000 0.000 -3.070) 3.070 11.951 ( 0.000 0.000 9.555) 9.555 12.328 ( 0.000 0.000 -4.214) 4.214 12.488 ( 0.000 0.000 13.797) 13.797 12.874 ( 0.000 0.000 -0.534) 0.534 12.915 ( 0.000 0.000 -4.490) 4.490 12.960 ( 0.000 0.000 -4.697) 4.697 13.320 ( 0.000 0.000 -0.080) 0.080 13.321 ( 0.000 0.000 -0.128) 0.128 13.342 ( 0.000 0.000 0.147) 0.147 13.344 ( 0.000 0.000 0.071) 0.071 14.137 ( 0.000 0.000 3.594) 3.594 14.352 ( 0.000 0.000 -4.834) 4.834 15.569 ( 0.000 0.000 2.900) 2.900 15.712 ( 0.000 0.000 -2.539) 2.539 16.460 ( 0.000 0.000 5.668) 5.668 16.739 ( 0.000 0.000 -5.291) 5.291 17.125 ( 0.000 0.000 3.655) 3.655 17.293 ( 0.000 0.000 -2.803) 2.803 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 14.959 0.000 17.668) 23.150 0.810 ( 17.672 0.000 20.598) 27.140 1.297 ( 19.592 0.000 36.306) 41.255 1.528 ( 6.589 0.000 -18.128) 19.288 1.625 ( 5.958 0.000 -14.727) 15.887 1.846 ( -7.387 0.000 7.490) 10.520 1.928 ( -7.242 0.000 5.208) 8.920 2.048 ( -5.727 0.000 0.726) 5.772 2.230 ( -3.101 0.000 0.920) 3.235 2.292 ( -6.485 0.000 -1.424) 6.639 2.347 ( 5.544 0.000 11.385) 12.663 2.362 ( 0.497 0.000 -1.134) 1.238 2.412 ( 0.382 0.000 -9.881) 9.888 2.484 ( -3.759 0.000 -1.799) 4.167 2.535 ( 6.243 0.000 -1.528) 6.428 2.647 ( 4.561 0.000 -7.961) 9.174 2.771 ( 7.818 0.000 0.966) 7.878 2.830 ( 9.770 0.000 -9.917) 13.921 2.914 ( 5.171 0.000 -2.241) 5.636 3.140 ( 1.914 0.000 -16.775) 16.884 3.168 ( 0.263 0.000 5.467) 5.474 3.359 ( -2.362 0.000 -2.698) 3.586 3.374 ( -6.153 0.000 -4.953) 7.899 3.640 ( -5.593 0.000 4.665) 7.283 3.710 ( -6.879 0.000 10.958) 12.938 3.968 ( -11.693 0.000 -11.015) 16.065 4.109 ( -0.674 0.000 -13.860) 13.877 4.319 ( -10.054 0.000 -2.780) 10.431 4.536 ( -3.087 0.000 11.075) 11.497 4.654 ( 2.928 0.000 7.646) 8.187 4.779 ( 2.308 0.000 6.379) 6.784 4.981 ( 4.838 0.000 -2.395) 5.399 5.123 ( 4.646 0.000 5.355) 7.090 5.247 ( -7.060 0.000 4.786) 8.529 5.319 ( -0.899 0.000 -6.973) 7.030 5.527 ( -9.044 0.000 -5.181) 10.423 5.739 ( 3.108 0.000 3.707) 4.837 5.894 ( 0.075 0.000 2.105) 2.106 6.018 ( 1.234 0.000 1.378) 1.850 6.077 ( -0.161 0.000 -0.842) 0.857 6.179 ( 5.384 0.000 8.621) 10.164 6.494 ( -0.306 0.000 -3.939) 3.951 6.606 ( -0.448 0.000 0.186) 0.485 6.641 ( -1.207 0.000 -1.114) 1.642 6.956 ( 3.883 0.000 -0.754) 3.955 7.106 ( 0.490 0.000 -3.873) 3.904 7.304 ( 23.980 0.000 -9.193) 25.681 7.369 ( 0.731 0.000 0.396) 0.831 7.413 ( -0.281 0.000 -1.396) 1.424 7.677 ( 14.322 0.000 -13.796) 19.886 8.122 ( 10.005 0.000 9.258) 13.632 8.151 ( 1.080 0.000 1.143) 1.573 8.158 ( 1.143 0.000 0.812) 1.402 8.534 ( 3.291 0.000 -9.056) 9.635 8.933 ( -0.162 0.000 1.324) 1.334 8.967 ( 1.173 0.000 9.764) 9.835 9.023 ( -2.047 0.000 -2.108) 2.938 9.243 ( -12.342 0.000 3.835) 12.924 9.296 ( -9.171 0.000 -0.424) 9.180 9.619 ( -14.925 0.000 -8.250) 17.053 9.800 ( 0.660 0.000 0.771) 1.015 9.836 ( -0.177 0.000 -0.645) 0.669 10.688 ( 1.098 0.000 6.845) 6.932 11.077 ( -7.079 0.000 2.031) 7.364 11.605 ( -0.568 0.000 10.513) 10.528 11.773 ( -5.341 0.000 -0.274) 5.348 11.825 ( -0.625 0.000 0.296) 0.691 12.074 ( -10.872 0.000 0.325) 10.876 12.530 ( 3.405 0.000 12.119) 12.588 12.772 ( -7.274 0.000 1.100) 7.357 12.913 ( 0.917 0.000 -5.535) 5.611 12.963 ( 0.207 0.000 -4.789) 4.794 13.321 ( 0.141 0.000 -0.080) 0.162 13.323 ( 0.171 0.000 -0.159) 0.233 13.340 ( -0.152 0.000 0.173) 0.231 13.342 ( -0.138 0.000 0.076) 0.157 14.453 ( 15.412 0.000 -2.411) 15.600 14.653 ( 18.402 0.000 -17.194) 25.185 15.599 ( 3.020 0.000 3.725) 4.795 15.759 ( 2.534 0.000 -1.065) 2.748 16.455 ( 0.236 0.000 3.841) 3.848 16.751 ( -0.100 0.000 -6.114) 6.115 16.984 ( -13.607 0.000 8.769) 16.188 17.080 ( -8.478 0.000 3.799) 9.290 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 25.095 0.000 7.850) 26.295 1.214 ( 21.417 0.000 12.385) 24.741 1.535 ( -18.774 0.000 7.246) 20.123 1.628 ( -19.103 0.000 7.806) 20.637 1.734 ( 16.849 0.000 -6.624) 18.105 1.766 ( 17.463 0.000 13.920) 22.332 1.787 ( 9.244 0.000 -10.931) 14.316 1.963 ( -6.613 0.000 -4.163) 7.814 2.124 ( -12.490 0.000 -10.786) 16.502 2.163 ( -1.881 0.000 1.208) 2.235 2.184 ( -2.912 0.000 0.941) 3.060 2.342 ( -21.225 0.000 8.534) 22.876 2.390 ( 1.721 0.000 -3.280) 3.704 2.428 ( -2.145 0.000 -3.691) 4.269 2.782 ( 12.211 0.000 2.241) 12.415 2.887 ( 20.326 0.000 5.942) 21.176 2.905 ( 5.299 0.000 3.467) 6.332 2.968 ( 5.498 0.000 -5.035) 7.456 2.969 ( -0.513 0.000 2.852) 2.898 3.193 ( 1.595 0.000 3.812) 4.132 3.205 ( 3.719 0.000 0.285) 3.730 3.292 ( -4.237 0.000 -2.150) 4.751 3.337 ( -1.294 0.000 -14.672) 14.729 3.482 ( -19.602 0.000 -9.425) 21.750 3.638 ( 7.237 0.000 2.334) 7.604 3.861 ( 10.189 0.000 -12.040) 15.773 3.947 ( -20.489 0.000 -3.556) 20.795 4.094 ( -6.584 0.000 -16.855) 18.095 4.582 ( 2.655 0.000 6.572) 7.088 4.636 ( -1.811 0.000 -2.346) 2.964 4.805 ( 0.241 0.000 9.410) 9.413 4.884 ( -8.130 0.000 3.915) 9.023 5.213 ( 4.988 0.000 3.787) 6.263 5.258 ( 1.538 0.000 1.861) 2.414 5.352 ( 2.229 0.000 1.009) 2.447 5.382 ( -3.535 0.000 1.870) 3.999 5.788 ( 2.540 0.000 1.897) 3.171 5.856 ( -3.540 0.000 1.724) 3.937 6.047 ( 1.431 0.000 0.731) 1.607 6.069 ( -0.735 0.000 -0.101) 0.742 6.299 ( 6.506 0.000 5.832) 8.737 6.427 ( -5.628 0.000 2.349) 6.098 6.601 ( 0.132 0.000 -0.240) 0.274 6.614 ( -1.179 0.000 -0.745) 1.395 7.053 ( 3.890 0.000 0.148) 3.893 7.090 ( -0.412 0.000 1.266) 1.331 7.387 ( 0.958 0.000 -0.142) 0.968 7.404 ( -0.687 0.000 -0.825) 1.074 7.684 ( 12.494 0.000 -11.672) 17.098 7.816 ( -0.495 0.000 -11.791) 11.802 8.173 ( 0.901 0.000 1.124) 1.441 8.178 ( 0.519 0.000 0.961) 1.092 8.474 ( 21.658 0.000 0.962) 21.680 8.668 ( 10.291 0.000 -7.355) 12.650 8.905 ( -13.621 0.000 2.411) 13.833 8.939 ( 1.012 0.000 0.223) 1.037 8.975 ( -2.418 0.000 -1.131) 2.669 9.024 ( -12.380 0.000 2.250) 12.583 9.085 ( -0.366 0.000 3.096) 3.118 9.270 ( -15.623 0.000 -0.240) 15.624 9.816 ( 0.818 0.000 0.297) 0.871 9.830 ( -0.527 0.000 -0.241) 0.580 10.756 ( 6.117 0.000 12.002) 13.471 10.916 ( -8.789 0.000 15.108) 17.478 11.644 ( 4.460 0.000 -8.802) 9.867 11.736 ( -1.773 0.000 -3.407) 3.840 11.842 ( 0.957 0.000 -0.847) 1.278 11.890 ( -6.259 0.000 -3.934) 7.393 12.600 ( 3.172 0.000 9.472) 9.988 12.662 ( -3.645 0.000 5.877) 6.916 12.940 ( 1.422 0.000 -5.264) 5.453 12.961 ( -0.554 0.000 -4.773) 4.805 13.325 ( 0.181 0.000 -0.131) 0.223 13.326 ( 0.097 0.000 -0.215) 0.236 13.338 ( -0.082 0.000 0.223) 0.238 13.339 ( -0.183 0.000 0.132) 0.226 14.727 ( 10.678 0.000 -3.311) 11.180 14.833 ( 0.900 0.000 -9.557) 9.599 15.678 ( 4.459 0.000 5.106) 6.779 15.756 ( -2.701 0.000 4.381) 5.146 16.500 ( 4.749 0.000 0.174) 4.753 16.642 ( -8.830 0.000 -0.715) 8.859 16.876 ( 1.313 0.000 1.112) 1.721 16.943 ( -5.248 0.000 0.411) 5.265 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 18.431 18.298) 25.971 0.794 ( 0.000 18.404 18.938) 26.407 1.525 ( 0.000 27.608 11.210) 29.797 1.572 ( 0.000 17.848 6.451) 18.978 1.632 ( 0.000 4.911 -13.920) 14.760 1.950 ( 0.000 11.013 2.474) 11.287 2.155 ( 0.000 -4.120 8.724) 9.648 2.158 ( 0.000 17.037 5.813) 18.001 2.223 ( 0.000 3.589 -3.236) 4.833 2.378 ( 0.000 1.447 -3.027) 3.355 2.394 ( 0.000 11.454 -7.520) 13.702 2.447 ( 0.000 6.818 -1.514) 6.984 2.527 ( 0.000 10.205 -1.514) 10.317 2.591 ( 0.000 12.512 -4.866) 13.425 2.609 ( 0.000 5.742 2.903) 6.434 2.684 ( 0.000 -0.921 -5.695) 5.769 2.748 ( 0.000 16.544 4.826) 17.234 2.857 ( 0.000 17.882 -5.993) 18.859 3.006 ( 0.000 13.563 -6.366) 14.983 3.174 ( 0.000 3.646 -19.182) 19.526 3.318 ( 0.000 12.630 7.441) 14.659 3.508 ( 0.000 7.148 -0.048) 7.148 3.559 ( 0.000 16.215 -5.790) 17.217 3.765 ( 0.000 1.941 0.650) 2.047 3.818 ( 0.000 -2.610 19.420) 19.595 3.994 ( 0.000 4.194 -7.714) 8.781 4.117 ( 0.000 -3.047 -13.665) 14.001 4.369 ( 0.000 0.369 12.070) 12.076 4.514 ( 0.000 -0.711 3.813) 3.879 4.641 ( 0.000 -1.494 7.301) 7.452 4.737 ( 0.000 -5.461 10.714) 12.026 4.788 ( 0.000 -3.072 -6.396) 7.095 5.016 ( 0.000 -1.502 6.454) 6.626 5.297 ( 0.000 -0.416 -4.071) 4.092 5.407 ( 0.000 -2.300 -2.991) 3.773 5.534 ( 0.000 -0.539 -5.006) 5.034 5.675 ( 0.000 -4.581 0.485) 4.606 5.710 ( 0.000 -6.098 3.501) 7.031 5.918 ( 0.000 -10.883 4.805) 11.896 6.216 ( 0.000 -9.290 -7.566) 11.981 6.437 ( 0.000 18.824 -0.190) 18.825 6.593 ( 0.000 0.299 7.579) 7.585 6.626 ( 0.000 15.565 -10.815) 18.954 6.876 ( 0.000 12.161 -2.862) 12.493 7.040 ( 0.000 17.238 -6.065) 18.274 7.071 ( 0.000 22.241 -1.246) 22.276 7.242 ( 0.000 6.184 2.764) 6.774 7.411 ( 0.000 2.368 -4.946) 5.484 7.466 ( 0.000 1.815 -3.041) 3.542 7.505 ( 0.000 9.660 -7.442) 12.194 8.035 ( 0.000 -1.480 11.933) 12.025 8.212 ( 0.000 5.785 1.863) 6.078 8.255 ( 0.000 10.148 -0.623) 10.167 8.453 ( 0.000 -3.673 -6.343) 7.329 8.696 ( 0.000 -10.618 7.159) 12.806 9.063 ( 0.000 1.916 -3.238) 3.763 9.223 ( 0.000 13.508 2.827) 13.801 9.353 ( 0.000 -2.370 -0.328) 2.392 9.383 ( 0.000 -0.926 3.329) 3.456 9.559 ( 0.000 -12.241 -7.275) 14.240 9.868 ( 0.000 0.320 0.147) 0.352 9.888 ( 0.000 4.057 -0.523) 4.090 10.673 ( 0.000 -0.740 4.843) 4.899 11.145 ( 0.000 -1.909 -16.129) 16.242 11.745 ( 0.000 -8.301 13.159) 15.559 11.828 ( 0.000 2.020 -1.499) 2.516 11.837 ( 0.000 2.537 -1.751) 3.083 12.230 ( 0.000 -13.882 -5.568) 14.957 12.449 ( 0.000 -5.135 7.066) 8.735 12.628 ( 0.000 -18.715 -0.700) 18.728 12.695 ( 0.000 -8.965 14.802) 17.306 12.803 ( 0.000 -10.836 -2.600) 11.144 12.839 ( 0.000 -10.837 7.285) 13.058 13.167 ( 0.000 -14.170 1.353) 14.234 13.229 ( 0.000 -9.273 -4.231) 10.193 13.273 ( 0.000 -6.284 -2.720) 6.847 14.717 ( 0.000 26.523 -0.742) 26.533 14.925 ( 0.000 31.365 -16.058) 35.236 15.632 ( 0.000 5.651 3.502) 6.648 15.899 ( 0.000 12.950 -13.393) 18.630 16.390 ( 0.000 -6.907 5.021) 8.540 16.641 ( 0.000 -9.673 -4.699) 10.754 16.997 ( 0.000 -12.155 2.957) 12.509 17.026 ( 0.000 -19.605 8.060) 21.197 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 5.511 11.304 18.803) 22.621 0.954 ( 13.360 15.182 15.395) 25.417 1.495 ( 2.183 4.574 -14.302) 15.174 1.701 ( 4.450 4.921 -10.675) 12.569 1.760 ( 12.105 30.206 21.522) 39.015 1.908 ( -4.560 11.595 0.734) 12.481 2.063 ( -11.129 6.796 4.685) 13.856 2.154 ( -1.291 9.876 2.010) 10.161 2.303 ( 11.012 -0.684 6.819) 12.970 2.343 ( -2.612 6.812 -3.292) 8.004 2.394 ( -5.940 8.630 -0.150) 10.477 2.436 ( -2.160 11.581 0.407) 11.788 2.498 ( -0.756 9.631 -0.583) 9.678 2.553 ( 1.194 7.023 -2.927) 7.701 2.629 ( 7.294 4.018 -3.393) 8.992 2.718 ( -1.450 10.317 -2.747) 10.775 2.882 ( 9.978 8.141 -6.270) 14.323 2.940 ( 5.375 14.117 -1.380) 15.168 3.045 ( 4.375 11.057 -4.041) 12.559 3.188 ( 1.431 6.684 -3.098) 7.505 3.331 ( 2.433 12.818 -1.755) 13.164 3.454 ( -4.616 8.926 -3.106) 10.518 3.528 ( -2.728 14.771 -6.444) 16.345 3.664 ( -6.069 4.343 5.512) 9.277 3.724 ( -6.229 3.026 8.077) 10.639 3.954 ( -9.152 -0.912 -10.023) 13.603 4.066 ( -2.409 -1.412 -12.316) 12.629 4.274 ( -10.083 -2.357 -2.188) 10.583 4.504 ( -0.181 -2.216 11.553) 11.765 4.634 ( 1.206 -0.809 9.233) 9.346 4.748 ( 1.459 -2.813 6.560) 7.285 4.924 ( 6.800 -3.717 -4.136) 8.785 5.078 ( 2.553 -3.318 3.655) 5.558 5.242 ( -6.502 -1.153 2.393) 7.023 5.300 ( 0.535 0.281 -1.651) 1.758 5.486 ( -6.891 -1.746 -4.576) 8.454 5.665 ( 2.732 -4.104 1.924) 5.292 5.797 ( 0.654 -6.563 -1.087) 6.684 5.989 ( 8.898 -7.475 6.253) 13.197 6.247 ( 2.566 -5.066 -2.595) 6.243 6.439 ( -0.403 21.997 0.137) 22.001 6.576 ( -3.635 21.874 -5.949) 22.959 6.749 ( 6.208 3.787 -0.467) 7.287 6.812 ( -3.699 7.471 -1.581) 8.485 7.020 ( 1.766 9.580 2.682) 10.104 7.142 ( 2.235 9.158 -1.905) 9.618 7.246 ( 4.461 5.883 2.849) 7.914 7.455 ( -0.624 4.187 0.530) 4.267 7.523 ( 4.984 6.719 -12.404) 14.961 7.671 ( 14.482 0.550 -10.862) 18.111 8.114 ( 8.812 -0.959 7.799) 11.807 8.213 ( 0.517 4.736 2.785) 5.519 8.246 ( -0.955 7.273 -0.311) 7.342 8.486 ( 3.930 -2.996 -6.677) 8.307 8.751 ( 4.838 -7.799 6.307) 11.136 9.033 ( -2.907 1.398 -3.117) 4.486 9.185 ( -2.999 11.207 1.782) 11.738 9.250 ( -10.610 1.740 2.684) 11.082 9.287 ( -7.710 -1.246 0.748) 7.845 9.517 ( -6.516 -8.391 -7.846) 13.207 9.792 ( -5.290 -1.327 3.246) 6.347 9.851 ( -2.949 1.404 0.992) 3.414 10.705 ( 3.284 1.237 6.397) 7.297 11.125 ( -4.047 0.812 -6.062) 7.334 11.630 ( -4.008 -2.367 10.106) 11.126 11.808 ( -2.119 4.485 -2.791) 5.691 11.852 ( 0.847 2.764 0.335) 2.910 12.048 ( -9.728 -3.181 -0.367) 10.242 12.461 ( 0.640 -8.051 5.972) 10.044 12.564 ( -3.806 -21.415 -0.748) 21.764 12.683 ( -1.697 -11.328 0.061) 11.455 12.783 ( -1.508 -12.508 -2.127) 12.776 13.037 ( 11.032 -16.320 7.076) 20.932 13.187 ( 1.630 -12.439 0.657) 12.562 13.254 ( 1.272 -7.320 -2.487) 7.835 13.308 ( 2.523 -5.573 -3.260) 6.932 14.788 ( 6.799 23.674 -0.283) 24.632 14.991 ( 4.235 22.090 -12.516) 25.740 15.668 ( 3.466 6.004 3.944) 7.976 15.909 ( -0.113 11.118 -7.301) 13.301 16.379 ( -0.231 -7.503 3.393) 8.237 16.650 ( -0.710 -9.949 -5.014) 11.163 16.859 ( -9.396 -11.292 8.399) 16.922 16.949 ( -5.517 -11.959 2.638) 13.431 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 25.625 0.283 10.915) 27.855 1.264 ( 16.347 9.371 10.631) 21.634 1.562 ( -11.462 -1.999 0.249) 11.637 1.586 ( -15.882 4.451 5.684) 17.446 1.776 ( 4.294 1.901 -6.295) 7.854 1.888 ( 6.575 8.309 -11.821) 15.874 2.045 ( -3.313 11.785 -0.758) 12.266 2.090 ( -6.511 12.268 -3.796) 14.398 2.198 ( 2.178 14.430 3.083) 14.915 2.304 ( -3.138 13.300 2.173) 13.837 2.350 ( -0.341 17.100 0.764) 17.121 2.455 ( -1.675 10.307 8.167) 13.257 2.515 ( 0.274 10.615 -1.842) 10.777 2.573 ( -8.657 13.165 0.121) 15.757 2.820 ( 10.668 6.216 0.151) 12.348 2.874 ( 21.228 0.320 4.873) 21.782 3.002 ( 3.064 7.594 -3.203) 8.793 3.027 ( 4.892 8.955 4.089) 10.993 3.107 ( -0.683 9.331 -0.479) 9.368 3.266 ( 4.373 9.118 2.109) 10.330 3.367 ( -3.851 5.535 -2.591) 7.223 3.379 ( -1.873 14.235 -0.063) 14.358 3.467 ( -4.064 12.970 -8.666) 16.120 3.481 ( -14.158 1.978 -1.375) 14.361 3.655 ( 4.940 4.006 -0.207) 6.364 3.873 ( 8.692 2.506 -12.847) 15.712 3.902 ( -16.744 -2.704 -3.343) 17.287 4.080 ( -7.061 0.313 -15.415) 16.958 4.564 ( 3.227 -1.446 7.373) 8.177 4.616 ( -1.863 -1.306 -0.624) 2.359 4.755 ( 0.321 -3.286 8.968) 9.557 4.842 ( -8.187 -3.062 1.519) 8.872 5.178 ( 6.220 -2.621 3.984) 7.838 5.245 ( 0.227 -0.587 2.551) 2.628 5.341 ( 2.517 -0.537 1.489) 2.974 5.371 ( -2.716 -0.297 1.312) 3.031 5.712 ( 2.316 -5.409 -1.031) 5.974 5.770 ( -2.882 -6.146 -1.430) 6.937 6.181 ( 8.987 -5.147 3.922) 11.074 6.287 ( -0.136 -5.979 1.427) 6.148 6.423 ( -0.781 25.106 0.024) 25.118 6.460 ( -5.671 28.721 -1.733) 29.327 6.775 ( 0.049 9.080 0.085) 9.081 6.791 ( -0.778 10.384 -0.143) 10.414 7.095 ( 3.817 4.199 2.935) 6.389 7.142 ( -1.101 7.710 1.185) 7.877 7.353 ( 4.690 -0.770 1.590) 5.012 7.423 ( -2.422 2.337 1.208) 3.576 7.688 ( 8.706 0.371 -12.603) 15.322 7.801 ( -1.329 -0.626 -11.881) 11.971 8.203 ( 0.543 1.590 0.901) 1.906 8.220 ( -1.212 2.706 0.501) 3.007 8.464 ( 21.712 -1.239 3.164) 21.976 8.644 ( 11.732 0.033 -5.147) 12.811 8.810 ( -4.735 -5.871 1.455) 7.682 8.931 ( -12.057 2.123 -3.802) 12.819 9.006 ( -4.226 2.269 5.529) 7.320 9.103 ( -8.254 2.775 2.202) 8.982 9.165 ( 0.693 7.182 -1.257) 7.324 9.287 ( -11.789 1.724 -4.523) 12.744 9.755 ( 0.966 -4.602 4.441) 6.468 9.794 ( -2.546 -2.648 2.915) 4.689 10.812 ( 7.513 4.220 9.234) 12.630 10.986 ( -8.853 4.385 8.923) 13.312 11.654 ( 4.774 0.730 -7.572) 8.981 11.762 ( -3.841 1.384 -5.414) 6.780 11.863 ( 0.311 2.220 -0.401) 2.277 11.893 ( -4.588 0.550 -2.228) 5.130 12.471 ( 0.761 -14.558 4.847) 15.362 12.499 ( -1.975 -14.683 3.980) 15.341 12.702 ( 2.227 -16.396 -0.548) 16.556 12.747 ( -2.061 -15.405 -1.056) 15.578 13.171 ( 3.330 -13.162 2.666) 13.836 13.203 ( -0.326 -11.284 0.891) 11.324 13.293 ( 2.458 -5.364 -2.289) 6.329 13.328 ( -0.621 -4.136 -2.736) 4.998 14.943 ( 7.182 17.615 -1.683) 19.097 15.030 ( -1.053 16.071 -6.261) 17.280 15.759 ( 5.317 6.860 4.619) 9.832 15.863 ( -4.424 8.574 2.366) 9.934 16.415 ( 4.302 -8.307 -0.383) 9.363 16.544 ( -7.904 -9.444 -0.924) 12.350 16.790 ( 1.098 -8.276 0.719) 8.380 16.844 ( -4.173 -9.490 0.197) 10.369 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 22.238 10.209) 24.469 1.211 ( 0.000 21.297 6.431) 22.247 1.715 ( 0.000 10.917 -9.105) 14.215 1.739 ( 0.000 6.573 -11.003) 12.817 2.100 ( 0.000 -0.832 7.584) 7.629 2.237 ( 0.000 15.379 -6.057) 16.529 2.239 ( 0.000 7.505 -2.097) 7.793 2.371 ( 0.000 0.331 -2.073) 2.099 2.436 ( 0.000 38.396 12.262) 40.307 2.535 ( 0.000 14.710 -0.805) 14.732 2.584 ( 0.000 7.291 -0.019) 7.291 2.616 ( 0.000 -0.315 -5.491) 5.500 2.756 ( 0.000 20.603 -2.444) 20.747 2.772 ( 0.000 9.530 5.946) 11.233 2.819 ( 0.000 19.673 1.424) 19.724 2.969 ( 0.000 20.716 -2.201) 20.833 3.139 ( 0.000 20.558 5.506) 21.282 3.179 ( 0.000 6.783 1.030) 6.861 3.291 ( 0.000 8.720 0.082) 8.720 3.322 ( 0.000 22.638 -8.428) 24.156 3.574 ( 0.000 10.229 12.001) 15.769 3.754 ( 0.000 17.911 -9.971) 20.499 3.849 ( 0.000 7.250 12.606) 14.542 3.918 ( 0.000 9.014 -7.161) 11.512 3.973 ( 0.000 23.295 -7.651) 24.520 4.114 ( 0.000 6.934 -6.420) 9.450 4.155 ( 0.000 12.189 -7.261) 14.188 4.406 ( 0.000 4.242 10.297) 11.137 4.492 ( 0.000 -1.639 -5.858) 6.083 4.619 ( 0.000 0.102 9.727) 9.727 4.656 ( 0.000 -3.032 7.324) 7.927 4.711 ( 0.000 -3.693 -5.893) 6.955 5.011 ( 0.000 1.444 3.371) 3.667 5.225 ( 0.000 -6.138 -3.663) 7.148 5.443 ( 0.000 5.899 0.360) 5.910 5.524 ( 0.000 -0.221 -2.055) 2.066 5.609 ( 0.000 -4.719 0.761) 4.780 5.627 ( 0.000 -0.986 4.524) 4.630 5.732 ( 0.000 -7.147 0.088) 7.148 6.040 ( 0.000 -6.550 -6.179) 9.005 6.470 ( 0.000 -4.440 4.903) 6.615 6.655 ( 0.000 -4.415 -3.615) 5.706 6.833 ( 0.000 11.105 2.616) 11.409 6.975 ( 0.000 -2.025 1.289) 2.400 7.452 ( 0.000 1.111 -6.533) 6.627 7.469 ( 0.000 19.400 -12.108) 22.868 7.505 ( 0.000 17.093 -1.995) 17.209 7.570 ( 0.000 19.618 -4.307) 20.085 7.667 ( 0.000 21.379 3.841) 21.721 7.722 ( 0.000 17.043 0.195) 17.044 8.007 ( 0.000 -0.698 11.237) 11.258 8.281 ( 0.000 -0.094 5.224) 5.225 8.319 ( 0.000 -4.791 -6.030) 7.702 8.553 ( 0.000 -3.938 6.979) 8.014 8.560 ( 0.000 14.338 -2.562) 14.565 9.082 ( 0.000 -1.263 -12.570) 12.634 9.263 ( 0.000 -6.154 3.022) 6.856 9.389 ( 0.000 -2.422 1.906) 3.082 9.414 ( 0.000 5.283 -2.154) 5.705 9.474 ( 0.000 10.972 -0.596) 10.988 9.816 ( 0.000 -5.115 4.583) 6.867 9.959 ( 0.000 2.406 -1.807) 3.009 10.664 ( 0.000 0.077 5.290) 5.290 11.054 ( 0.000 -6.926 -10.402) 12.497 11.397 ( 0.000 -17.965 10.641) 20.880 11.738 ( 0.000 -19.126 -5.518) 19.906 11.913 ( 0.000 -3.073 1.934) 3.631 11.940 ( 0.000 0.704 -0.938) 1.173 12.392 ( 0.000 -1.694 0.938) 1.937 12.435 ( 0.000 -6.839 -0.754) 6.880 12.536 ( 0.000 -15.394 0.682) 15.409 12.610 ( 0.000 -12.739 0.645) 12.755 12.720 ( 0.000 6.809 8.592) 10.963 12.828 ( 0.000 -18.404 3.228) 18.685 13.011 ( 0.000 -11.186 -5.186) 12.329 13.082 ( 0.000 -12.409 -3.484) 12.889 15.172 ( 0.000 17.763 1.135) 17.800 15.354 ( 0.000 15.885 -7.143) 17.417 15.740 ( 0.000 3.433 4.872) 5.960 16.057 ( 0.000 2.018 -11.275) 11.454 16.202 ( 0.000 -11.498 3.433) 12.000 16.377 ( 0.000 -16.118 -2.832) 16.365 16.654 ( 0.000 -17.336 6.661) 18.572 16.702 ( 0.000 -15.665 1.350) 15.723 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -4.755 21.652 10.524) 24.539 1.312 ( 8.714 18.457 6.139) 21.314 1.627 ( -2.628 10.123 -11.605) 15.622 1.812 ( 2.681 6.926 -8.737) 11.467 2.109 ( -14.262 4.258 0.362) 14.889 2.127 ( -4.369 6.682 -4.049) 8.952 2.202 ( 2.404 7.187 4.687) 8.911 2.413 ( -5.951 2.969 0.210) 6.654 2.495 ( 3.067 8.063 0.240) 8.630 2.553 ( 3.190 16.880 1.443) 17.239 2.573 ( 9.777 21.269 5.904) 24.142 2.698 ( 6.541 7.160 -2.009) 9.904 2.742 ( -0.936 24.023 1.768) 24.106 2.746 ( 0.030 13.398 1.386) 13.470 2.872 ( 1.283 19.942 -0.114) 19.983 2.940 ( 3.208 14.584 -2.877) 15.207 3.164 ( 1.662 16.393 1.680) 16.563 3.251 ( -1.585 11.173 4.343) 12.092 3.298 ( 6.135 12.945 -0.950) 14.357 3.390 ( 5.185 17.004 -3.511) 18.120 3.566 ( 0.004 9.378 9.338) 13.234 3.668 ( -8.684 11.155 0.209) 14.138 3.802 ( -0.855 16.680 -5.063) 17.453 3.891 ( -8.839 7.082 -6.246) 12.934 3.935 ( -1.255 17.701 -1.882) 17.845 4.047 ( -2.705 18.955 -4.882) 19.760 4.140 ( -5.527 8.867 -4.721) 11.466 4.262 ( -8.385 2.476 -6.413) 10.843 4.471 ( 0.553 -0.687 7.688) 7.738 4.638 ( 0.549 1.158 6.337) 6.465 4.688 ( 2.200 -2.069 4.677) 5.567 4.851 ( 6.617 -3.345 -3.347) 8.135 5.029 ( 0.129 -1.088 1.399) 1.777 5.184 ( -0.078 -3.752 -0.050) 3.754 5.373 ( -2.494 6.430 2.314) 7.275 5.471 ( -5.104 0.335 -1.992) 5.489 5.595 ( 1.019 -2.191 -0.087) 2.418 5.699 ( 0.663 -3.530 -3.344) 4.907 5.844 ( 10.417 -7.264 5.396) 13.799 6.088 ( 3.503 -7.857 -3.944) 9.464 6.646 ( 14.151 -4.284 1.461) 14.857 6.729 ( 5.986 -2.251 -2.594) 6.901 6.869 ( 4.653 10.532 3.964) 12.177 6.954 ( -1.021 6.104 2.423) 6.646 7.294 ( -11.102 14.225 -3.035) 18.297 7.443 ( -4.016 14.500 -5.173) 15.910 7.523 ( -0.189 3.123 -3.395) 4.617 7.588 ( -0.613 20.098 -1.785) 20.186 7.691 ( 0.255 16.169 -0.763) 16.189 7.781 ( 8.617 11.321 -4.123) 14.813 8.096 ( 6.612 -0.062 4.962) 8.267 8.231 ( -2.717 -4.326 -0.570) 5.140 8.337 ( 0.660 3.033 1.701) 3.539 8.523 ( 3.142 2.418 4.676) 6.131 8.683 ( 6.488 3.568 -1.406) 7.537 9.061 ( -1.967 0.904 -9.218) 9.469 9.245 ( -2.284 -3.052 2.387) 4.498 9.312 ( -6.778 -0.783 0.996) 6.895 9.343 ( -6.428 8.110 -1.489) 10.455 9.452 ( -2.911 6.534 -2.885) 7.713 9.741 ( -5.721 -3.702 6.291) 9.274 9.879 ( -6.527 0.984 0.621) 6.630 10.724 ( 5.667 0.661 5.653) 8.032 11.063 ( -0.469 -6.236 -5.927) 8.617 11.473 ( 7.538 -11.983 4.552) 14.871 11.739 ( 0.088 -13.837 -6.028) 15.093 11.896 ( -0.174 -1.044 2.787) 2.982 11.961 ( -0.649 -2.011 0.321) 2.137 12.279 ( -10.988 -8.025 -0.839) 13.632 12.317 ( -5.337 -2.867 -1.036) 6.147 12.502 ( -4.923 -14.394 1.710) 15.308 12.514 ( -5.186 -10.414 1.648) 11.750 12.809 ( 6.505 -6.776 7.481) 12.008 12.890 ( 4.652 -15.836 0.751) 16.522 13.051 ( 1.716 -12.336 -3.617) 12.969 13.130 ( 3.838 -10.735 -3.329) 11.877 15.205 ( 3.169 16.892 0.985) 17.215 15.356 ( 0.053 15.057 -5.839) 16.149 15.778 ( 3.647 3.277 4.708) 6.797 16.061 ( -0.456 2.799 -7.032) 7.583 16.172 ( -1.565 -12.859 2.405) 13.175 16.385 ( -1.055 -15.792 -2.566) 16.034 16.599 ( -3.379 -13.795 4.516) 14.904 16.667 ( -3.084 -14.802 0.782) 15.140 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 16.799 11.168 9.982) 22.507 1.525 ( 9.460 11.806 4.091) 15.671 1.593 ( -10.522 8.556 0.401) 13.567 1.706 ( -8.787 7.164 -0.243) 11.340 1.855 ( -2.709 7.127 -4.412) 8.809 1.987 ( -9.549 2.899 -12.729) 16.175 2.217 ( 1.568 10.754 -6.528) 12.678 2.312 ( -3.620 8.068 -1.804) 9.025 2.568 ( 4.243 12.299 4.865) 13.890 2.647 ( -3.241 17.004 3.325) 17.627 2.654 ( 6.800 10.720 3.118) 13.072 2.721 ( 4.674 15.266 1.879) 16.075 2.755 ( -2.150 13.422 -0.391) 13.599 2.866 ( -5.399 13.098 1.359) 14.233 3.006 ( 8.249 12.508 -2.898) 15.261 3.022 ( 11.477 15.163 0.806) 19.033 3.209 ( 6.718 14.972 5.411) 17.279 3.284 ( 3.275 15.688 1.382) 16.086 3.331 ( -1.398 11.427 -0.198) 11.514 3.487 ( -7.907 9.204 -1.006) 12.176 3.515 ( 4.138 14.460 -2.238) 15.206 3.572 ( -3.928 7.361 6.630) 10.657 3.682 ( -5.283 13.807 2.686) 15.025 3.746 ( -7.722 14.424 -1.834) 16.463 3.873 ( -0.363 15.419 0.506) 15.432 3.948 ( -8.058 8.860 -0.620) 11.992 4.071 ( 4.583 18.698 -11.946) 22.657 4.178 ( -3.683 12.212 -13.477) 18.556 4.535 ( 4.748 -1.235 4.667) 6.772 4.616 ( -2.719 2.056 0.507) 3.446 4.707 ( 1.039 -1.097 5.021) 5.243 4.793 ( -7.359 -1.448 -3.032) 8.090 5.126 ( 7.491 -2.053 4.932) 9.201 5.221 ( -0.714 -1.887 3.977) 4.459 5.373 ( 1.647 4.346 1.530) 4.893 5.397 ( -1.390 3.320 1.597) 3.938 5.617 ( 1.443 -3.296 -3.945) 5.339 5.667 ( -3.006 -3.823 -4.376) 6.542 6.039 ( 7.697 -8.891 2.682) 12.062 6.125 ( -0.812 -9.249 -0.591) 9.304 6.846 ( 5.735 4.245 0.246) 7.139 6.866 ( 5.860 1.449 0.041) 6.037 6.943 ( 0.398 17.188 1.339) 17.245 7.024 ( -0.989 21.478 -1.443) 21.549 7.117 ( 4.109 -1.151 6.493) 7.770 7.319 ( -8.847 5.922 1.270) 10.721 7.511 ( 0.518 9.730 -1.701) 9.891 7.552 ( -2.707 12.648 -0.956) 12.969 7.736 ( 4.224 7.998 -6.937) 11.399 7.832 ( -3.776 4.906 -8.770) 10.735 8.200 ( 1.179 -1.462 -0.560) 1.960 8.217 ( 0.020 -2.860 -0.760) 2.960 8.454 ( 14.416 1.282 5.654) 15.538 8.677 ( 4.552 -2.203 6.799) 8.474 8.741 ( 2.572 2.510 -7.824) 8.610 9.001 ( -10.596 1.851 -5.326) 12.003 9.092 ( -2.300 7.498 6.322) 10.074 9.190 ( -6.734 8.232 0.858) 10.670 9.276 ( 1.059 3.690 -4.491) 5.909 9.349 ( -5.793 5.042 -5.225) 9.288 9.685 ( 0.848 -2.073 7.307) 7.643 9.752 ( -5.338 -1.346 4.363) 7.024 10.868 ( 8.027 0.767 5.207) 9.599 11.009 ( -5.186 -2.428 1.619) 5.951 11.647 ( 8.613 -2.947 -4.217) 10.033 11.746 ( 0.059 -3.086 -6.205) 6.931 11.865 ( -3.586 -4.296 -1.013) 5.687 11.891 ( -5.509 -2.668 -2.999) 6.817 12.136 ( 0.665 -13.462 3.917) 14.037 12.229 ( -5.284 -8.514 2.950) 10.446 12.414 ( 0.037 -14.671 1.889) 14.792 12.460 ( -2.995 -12.933 1.569) 13.368 12.906 ( 3.179 -12.861 3.701) 13.756 12.940 ( -0.061 -14.214 1.015) 14.250 13.109 ( 3.884 -12.094 -2.404) 12.928 13.164 ( -0.805 -10.902 -3.105) 11.364 15.283 ( 4.095 15.017 -0.154) 15.566 15.344 ( -1.665 14.195 -2.860) 14.576 15.875 ( 5.782 2.781 4.568) 7.876 15.995 ( -5.640 2.469 3.092) 6.889 16.195 ( 3.806 -12.824 -2.758) 13.659 16.301 ( -6.050 -14.119 -1.512) 15.434 16.579 ( 0.812 -11.812 -0.162) 11.841 16.609 ( -2.213 -12.681 -0.497) 12.882 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 14.105 -0.290) 14.108 1.592 ( 0.000 17.474 3.473) 17.816 1.910 ( 0.000 11.404 -5.973) 12.874 1.980 ( 0.000 15.622 -2.222) 15.779 2.140 ( 0.000 5.228 6.579) 8.403 2.355 ( 0.000 6.869 -4.490) 8.206 2.355 ( 0.000 0.312 -1.867) 1.893 2.546 ( 0.000 13.167 -8.260) 15.544 2.587 ( 0.000 0.528 -8.868) 8.884 2.589 ( 0.000 -1.168 -5.581) 5.702 2.822 ( 0.000 2.520 8.137) 8.518 2.967 ( 0.000 16.339 4.158) 16.860 2.988 ( 0.000 13.055 1.076) 13.099 3.171 ( 0.000 6.348 -0.683) 6.385 3.255 ( 0.000 21.231 5.077) 21.829 3.322 ( 0.000 18.928 1.439) 18.983 3.414 ( 0.000 7.323 4.364) 8.525 3.494 ( 0.000 32.612 6.568) 33.267 3.591 ( 0.000 19.750 6.017) 20.646 3.667 ( 0.000 5.058 14.067) 14.949 3.721 ( 0.000 11.387 -11.269) 16.021 3.945 ( 0.000 4.824 3.391) 5.897 4.176 ( 0.000 17.359 3.002) 17.617 4.182 ( 0.000 21.534 -8.420) 23.122 4.327 ( 0.000 8.038 -0.276) 8.042 4.381 ( 0.000 7.864 5.579) 9.642 4.383 ( 0.000 9.578 -11.377) 14.872 4.458 ( 0.000 -2.337 -1.738) 2.912 4.532 ( 0.000 11.621 -0.513) 11.632 4.686 ( 0.000 10.006 -10.901) 14.797 4.713 ( 0.000 12.184 1.538) 12.281 4.741 ( 0.000 6.750 1.040) 6.829 5.106 ( 0.000 -5.139 -0.855) 5.210 5.109 ( 0.000 10.466 -0.577) 10.482 5.511 ( 0.000 -3.111 3.407) 4.613 5.514 ( 0.000 -3.405 2.585) 4.275 5.603 ( 0.000 0.565 7.487) 7.508 5.617 ( 0.000 10.708 -1.508) 10.814 5.683 ( 0.000 2.735 -2.465) 3.682 5.958 ( 0.000 -2.400 -5.698) 6.183 6.402 ( 0.000 -1.543 2.539) 2.971 6.572 ( 0.000 -2.947 -5.124) 5.911 6.905 ( 0.000 -3.680 5.574) 6.680 6.974 ( 0.000 5.371 2.516) 5.931 7.433 ( 0.000 -1.584 -2.619) 3.061 7.653 ( 0.000 3.376 -9.669) 10.241 7.759 ( 0.000 4.215 0.519) 4.247 7.906 ( 0.000 10.858 -5.305) 12.085 8.050 ( 0.000 9.726 7.102) 12.043 8.100 ( 0.000 15.454 5.345) 16.352 8.175 ( 0.000 22.925 0.043) 22.925 8.250 ( 0.000 -1.352 7.717) 7.835 8.258 ( 0.000 2.173 -3.244) 3.905 8.507 ( 0.000 -0.346 6.233) 6.242 8.757 ( 0.000 2.306 -9.909) 10.174 9.030 ( 0.000 -2.773 -16.992) 17.217 9.226 ( 0.000 3.764 5.082) 6.324 9.435 ( 0.000 5.979 10.593) 12.164 9.544 ( 0.000 6.390 -7.110) 9.559 9.682 ( 0.000 10.333 -1.443) 10.434 9.689 ( 0.000 -6.645 7.780) 10.232 9.973 ( 0.000 -0.878 -4.297) 4.386 10.682 ( 0.000 1.724 3.777) 4.152 10.893 ( 0.000 -8.944 -4.756) 10.130 11.075 ( 0.000 -14.728 7.627) 16.586 11.425 ( 0.000 -9.594 -8.006) 12.496 11.870 ( 0.000 -6.953 3.749) 7.899 11.892 ( 0.000 -1.325 5.827) 5.975 12.184 ( 0.000 -19.590 -0.476) 19.595 12.236 ( 0.000 -13.978 1.961) 14.115 12.292 ( 0.000 -9.142 0.690) 9.168 12.370 ( 0.000 -10.590 -3.713) 11.222 12.479 ( 0.000 -15.659 2.771) 15.903 12.749 ( 0.000 -16.965 -5.479) 17.828 12.906 ( 0.000 10.438 0.320) 10.443 12.927 ( 0.000 -0.460 -0.335) 0.569 15.415 ( 0.000 7.289 1.970) 7.550 15.609 ( 0.000 10.090 -6.471) 11.987 15.686 ( 0.000 -9.571 5.321) 10.951 15.940 ( 0.000 -14.511 -4.836) 15.296 15.962 ( 0.000 -12.593 2.539) 12.846 16.064 ( 0.000 -14.367 -0.918) 14.396 16.376 ( 0.000 -9.414 3.258) 9.962 16.472 ( 0.000 -5.814 -1.052) 5.908 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -6.089 20.824 3.743) 22.016 1.615 ( 3.417 11.842 -1.339) 12.398 1.864 ( 0.170 11.101 -3.121) 11.533 2.000 ( -1.028 13.513 -7.296) 15.391 2.191 ( -6.385 5.655 1.797) 8.716 2.219 ( -2.605 6.278 3.565) 7.675 2.399 ( -6.657 5.480 -4.665) 9.803 2.462 ( -1.303 6.165 -1.695) 6.525 2.520 ( 3.418 0.375 -2.769) 4.415 2.740 ( 6.160 6.032 -6.112) 10.568 2.763 ( 2.841 1.030 0.112) 3.024 2.949 ( 1.468 15.147 0.765) 15.238 3.062 ( -5.592 12.688 2.132) 14.029 3.200 ( 4.044 11.688 -3.801) 12.939 3.274 ( 1.594 7.523 5.743) 9.598 3.299 ( -0.682 17.420 3.879) 17.859 3.371 ( -2.295 15.961 3.901) 16.590 3.526 ( 2.377 25.486 8.110) 26.851 3.594 ( -0.314 10.825 1.198) 10.895 3.671 ( -1.526 6.265 5.481) 8.463 3.799 ( 7.933 18.544 -0.848) 20.187 3.875 ( -5.325 9.493 1.976) 11.063 4.092 ( -6.724 16.220 2.600) 17.750 4.142 ( -6.280 10.089 -3.873) 12.499 4.245 ( -2.858 14.033 -1.360) 14.386 4.341 ( -0.187 13.576 -1.123) 13.624 4.406 ( -3.500 7.292 1.698) 8.265 4.448 ( 2.296 8.276 -5.103) 9.990 4.524 ( -1.668 11.367 -0.287) 11.493 4.702 ( 3.328 10.539 -8.721) 14.078 4.763 ( 2.669 8.085 0.857) 8.558 4.841 ( 3.403 4.092 -3.324) 6.275 5.095 ( -0.296 10.805 -0.356) 10.815 5.127 ( 4.180 -0.650 -0.573) 4.269 5.485 ( -1.246 1.449 2.451) 3.108 5.538 ( -2.531 8.324 3.261) 9.292 5.591 ( 4.792 -1.771 1.367) 5.289 5.653 ( -1.549 1.750 0.044) 2.337 5.716 ( 4.785 -3.147 1.663) 5.964 5.956 ( -0.477 -5.403 -5.073) 7.426 6.555 ( 13.153 -3.066 2.195) 13.683 6.689 ( 10.595 -1.073 -4.054) 11.395 6.942 ( 5.249 1.420 7.099) 8.942 7.080 ( 8.059 4.751 2.029) 9.572 7.375 ( -5.186 -1.728 -2.587) 6.047 7.616 ( -4.094 3.051 -8.056) 9.537 7.640 ( -8.842 6.307 2.635) 11.176 7.871 ( -4.778 6.050 -5.849) 9.677 8.058 ( -1.726 15.728 1.842) 15.929 8.098 ( 1.873 11.515 3.169) 12.089 8.137 ( -4.101 5.200 0.660) 6.656 8.174 ( 0.160 5.904 -0.440) 5.923 8.424 ( 6.648 7.178 3.805) 10.497 8.504 ( 3.220 -0.486 7.762) 8.418 8.771 ( 0.491 0.312 -10.156) 10.173 9.058 ( 1.941 -1.927 -15.907) 16.140 9.220 ( -1.008 1.868 4.760) 5.212 9.382 ( -4.025 8.952 8.765) 13.159 9.497 ( -4.787 4.764 -4.474) 8.101 9.603 ( -5.201 3.977 1.392) 6.694 9.691 ( -0.769 3.911 4.583) 6.074 9.883 ( -7.245 -0.326 -0.874) 7.305 10.735 ( 4.827 0.546 3.323) 5.885 10.915 ( 1.141 -8.055 -3.684) 8.931 11.206 ( 11.921 -14.098 3.658) 18.821 11.487 ( 5.707 -9.028 -8.052) 13.376 11.823 ( -2.631 -5.879 5.148) 8.245 11.927 ( 1.236 -2.362 2.761) 3.838 12.089 ( -8.700 -12.569 2.113) 15.432 12.183 ( -4.267 -15.922 0.606) 16.495 12.254 ( -3.208 -12.320 0.365) 12.737 12.282 ( -8.136 -7.145 -0.317) 10.833 12.568 ( 6.733 -13.693 -1.550) 15.337 12.712 ( -3.068 -12.975 -4.193) 13.976 12.832 ( -0.834 -3.934 4.403) 5.963 13.009 ( 1.924 0.752 -3.054) 3.687 15.445 ( 2.728 7.612 1.509) 8.225 15.589 ( -1.353 6.955 -3.888) 8.082 15.728 ( 3.402 -7.264 3.262) 8.659 15.889 ( -2.454 -15.176 -0.372) 15.378 15.978 ( 0.300 -12.194 0.011) 12.197 16.076 ( -0.650 -14.282 -1.312) 14.357 16.374 ( 0.439 -7.380 1.875) 7.627 16.455 ( -1.400 -4.939 -1.109) 5.252 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.087 17.163 5.459) 19.011 1.670 ( -3.814 7.430 -1.541) 8.493 1.857 ( -6.278 9.582 2.605) 11.749 1.889 ( -0.763 12.170 -0.410) 12.200 2.028 ( -0.999 10.887 -7.613) 13.322 2.109 ( -8.040 9.810 -7.740) 14.859 2.430 ( 2.429 9.091 -4.649) 10.495 2.449 ( 4.583 8.867 0.323) 9.986 2.688 ( 5.015 2.172 2.295) 5.928 2.759 ( 1.226 2.757 -6.678) 7.328 2.841 ( 0.447 3.353 1.512) 3.705 2.901 ( -4.516 4.709 8.082) 10.387 3.081 ( 7.024 13.241 1.994) 15.121 3.186 ( -4.350 18.099 0.522) 18.622 3.225 ( -1.033 7.859 -0.423) 7.938 3.293 ( -2.260 11.000 -0.225) 11.232 3.429 ( 4.570 9.754 0.909) 10.810 3.520 ( -5.871 7.712 -3.690) 10.371 3.559 ( 1.688 5.457 -0.174) 5.715 3.648 ( -3.166 6.448 3.918) 8.183 3.809 ( 2.972 20.365 3.895) 20.946 3.936 ( -4.208 21.687 2.874) 22.278 4.011 ( 5.538 19.961 5.703) 21.486 4.067 ( 3.506 14.411 2.858) 15.104 4.182 ( -5.161 17.512 -1.746) 18.340 4.220 ( -10.919 19.023 5.832) 22.696 4.406 ( 4.365 8.403 1.105) 9.533 4.483 ( -2.690 9.735 -1.114) 10.161 4.564 ( 7.844 7.429 -7.023) 12.886 4.716 ( -5.039 6.548 -5.270) 9.800 4.787 ( 1.683 12.238 -7.572) 14.490 4.830 ( -2.076 8.009 -7.397) 11.098 5.159 ( 5.398 7.972 4.531) 10.641 5.215 ( 1.502 3.174 3.794) 5.170 5.487 ( 1.014 4.782 2.401) 5.446 5.503 ( -0.781 7.996 2.593) 8.443 5.614 ( -0.619 3.091 -2.472) 4.006 5.631 ( -1.266 1.311 -1.926) 2.652 5.833 ( 6.020 -11.236 1.679) 12.857 5.925 ( -2.958 -10.434 -2.238) 11.074 6.829 ( 12.191 -2.559 2.032) 12.621 6.902 ( 7.243 2.471 -1.036) 7.722 7.093 ( 6.173 2.432 6.035) 8.969 7.165 ( -2.956 2.864 5.764) 7.083 7.308 ( 2.596 6.103 -3.267) 7.393 7.440 ( -7.862 7.365 4.353) 11.619 7.586 ( 1.014 0.837 -9.946) 10.033 7.710 ( -9.318 1.343 -6.245) 11.298 8.012 ( -1.611 14.350 0.560) 14.451 8.034 ( -3.764 13.058 0.135) 13.591 8.172 ( 1.931 -0.056 -0.071) 1.933 8.187 ( 0.348 0.376 -0.178) 0.542 8.513 ( 7.205 4.724 2.186) 8.889 8.637 ( 0.539 0.259 2.896) 2.957 8.784 ( 5.470 0.646 -5.579) 7.840 8.988 ( -10.436 -2.124 -4.557) 11.584 9.226 ( 4.137 2.059 -1.233) 4.782 9.333 ( -4.280 6.330 -2.174) 7.945 9.416 ( 1.125 8.676 3.314) 9.355 9.501 ( -5.183 9.713 0.251) 11.012 9.686 ( 0.989 3.819 5.102) 6.449 9.748 ( -5.296 1.781 3.286) 6.482 10.845 ( 5.229 -2.574 1.311) 5.974 10.915 ( -1.562 -6.047 -1.398) 6.400 11.479 ( 13.983 -12.432 -1.650) 18.783 11.616 ( 4.967 -10.443 -7.106) 13.573 11.773 ( -2.900 -3.267 0.869) 4.454 11.828 ( -11.374 -1.328 -1.421) 11.539 11.976 ( 1.184 -6.359 5.958) 8.794 12.070 ( -6.623 -14.183 6.037) 16.777 12.162 ( -1.476 -7.999 -0.478) 8.148 12.192 ( -2.930 -13.988 1.177) 14.340 12.655 ( 1.487 -12.309 -1.892) 12.542 12.672 ( -0.814 -13.288 -2.066) 13.473 12.882 ( 5.281 -9.094 1.965) 10.698 12.986 ( -3.911 -5.199 -2.217) 6.873 15.508 ( 3.212 7.264 0.207) 7.945 15.560 ( -1.830 6.224 -1.715) 6.710 15.802 ( 3.703 -8.600 3.280) 9.921 15.857 ( -1.523 -13.512 3.028) 13.931 15.979 ( 0.452 -11.813 -1.827) 11.962 16.023 ( -3.597 -13.702 -1.509) 14.246 16.399 ( 1.592 -5.013 -0.324) 5.270 16.428 ( -1.303 -4.204 -1.004) 4.515 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 6.778 -0.467) 6.794 1.837 ( 0.000 8.021 -2.722) 8.470 2.201 ( 0.000 16.525 0.949) 16.552 2.271 ( 0.000 11.618 1.668) 11.737 2.336 ( 0.000 15.053 1.915) 15.175 2.379 ( 0.000 2.602 -0.246) 2.613 2.478 ( 0.000 3.269 -4.616) 5.656 2.566 ( 0.000 -1.316 -7.263) 7.381 2.616 ( 0.000 6.324 -2.743) 6.893 2.797 ( 0.000 2.404 1.954) 3.098 2.804 ( 0.000 5.947 -1.003) 6.031 3.072 ( 0.000 0.116 4.860) 4.861 3.257 ( 0.000 1.232 -4.483) 4.649 3.280 ( 0.000 13.081 4.240) 13.751 3.470 ( 0.000 -3.705 8.345) 9.130 3.493 ( 0.000 4.672 -1.778) 4.999 3.640 ( 0.000 13.882 4.914) 14.726 3.772 ( 0.000 10.812 -0.376) 10.819 3.865 ( 0.000 4.977 -4.736) 6.871 3.879 ( 0.000 6.448 8.298) 10.509 4.014 ( 0.000 6.893 3.753) 7.849 4.262 ( 0.000 20.677 7.194) 21.893 4.301 ( 0.000 -0.903 -7.050) 7.107 4.369 ( 0.000 10.102 7.937) 12.847 4.381 ( 0.000 -0.647 0.344) 0.733 4.526 ( 0.000 5.620 -6.009) 8.228 4.539 ( 0.000 13.796 -1.596) 13.888 4.659 ( 0.000 14.640 -3.813) 15.128 4.831 ( 0.000 9.510 -0.772) 9.541 4.869 ( 0.000 6.250 -5.334) 8.217 4.949 ( 0.000 16.312 -4.030) 16.802 4.997 ( 0.000 14.374 -10.851) 18.010 5.061 ( 0.000 1.865 6.762) 7.014 5.288 ( 0.000 -3.849 0.328) 3.863 5.532 ( 0.000 5.993 6.876) 9.121 5.547 ( 0.000 13.565 5.848) 14.772 5.662 ( 0.000 6.433 -3.159) 7.167 5.833 ( 0.000 9.246 -5.989) 11.016 5.853 ( 0.000 14.410 2.824) 14.684 5.960 ( 0.000 5.085 -1.748) 5.377 6.430 ( 0.000 4.412 1.274) 4.592 6.566 ( 0.000 2.913 -5.570) 6.285 6.863 ( 0.000 -0.321 7.907) 7.914 7.082 ( 0.000 5.256 -0.231) 5.261 7.407 ( 0.000 -0.415 1.444) 1.503 7.692 ( 0.000 1.320 -6.293) 6.430 7.736 ( 0.000 -3.270 2.362) 4.034 7.920 ( 0.000 -4.942 -5.474) 7.375 8.158 ( 0.000 0.815 7.338) 7.384 8.250 ( 0.000 0.674 9.914) 9.936 8.338 ( 0.000 8.659 3.049) 9.180 8.453 ( 0.000 12.732 -3.638) 13.242 8.499 ( 0.000 5.409 -7.231) 9.030 8.591 ( 0.000 7.892 3.574) 8.664 8.768 ( 0.000 6.460 -4.481) 7.862 8.964 ( 0.000 -4.904 -16.161) 16.889 9.309 ( 0.000 2.679 2.254) 3.501 9.476 ( 0.000 -5.043 12.969) 13.915 9.648 ( 0.000 4.667 -8.911) 10.059 9.725 ( 0.000 12.239 7.208) 14.204 9.857 ( 0.000 5.035 -1.461) 5.242 9.941 ( 0.000 -0.618 -4.961) 4.999 10.690 ( 0.000 -11.963 4.964) 12.952 10.718 ( 0.000 1.368 0.532) 1.468 10.833 ( 0.000 -8.833 5.609) 10.464 11.316 ( 0.000 -5.234 -11.362) 12.510 11.696 ( 0.000 -10.233 4.723) 11.270 11.785 ( 0.000 -14.291 0.593) 14.303 11.848 ( 0.000 -10.776 7.459) 13.106 11.948 ( 0.000 -10.207 4.312) 11.080 12.051 ( 0.000 -13.952 -1.623) 14.046 12.201 ( 0.000 -6.993 -4.495) 8.313 12.226 ( 0.000 -9.707 0.596) 9.725 12.408 ( 0.000 -16.206 -5.459) 17.101 12.990 ( 0.000 5.307 1.787) 5.600 13.097 ( 0.000 8.338 -2.472) 8.696 15.374 ( 0.000 -13.884 2.029) 14.031 15.542 ( 0.000 -0.105 6.150) 6.151 15.580 ( 0.000 -17.310 -4.706) 17.938 15.710 ( 0.000 -11.482 0.292) 11.486 15.711 ( 0.000 -10.222 -1.948) 10.406 15.834 ( 0.000 -0.291 -5.582) 5.590 16.272 ( 0.000 -2.304 6.113) 6.533 16.447 ( 0.000 1.365 -2.029) 2.445 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 1.090 6.993 -2.075) 7.375 1.842 ( -0.615 10.178 -2.584) 10.519 2.072 ( -5.315 12.312 3.815) 13.943 2.283 ( -6.041 10.692 -0.683) 12.300 2.343 ( -5.688 10.616 1.900) 12.193 2.398 ( 2.962 11.521 -0.727) 11.918 2.455 ( -0.957 2.888 -2.612) 4.009 2.529 ( 3.800 1.044 -1.204) 4.121 2.615 ( 1.981 6.697 -4.723) 8.431 2.779 ( 2.995 2.416 0.596) 3.894 2.869 ( 2.135 5.915 -7.209) 9.566 3.086 ( -3.996 -0.515 -5.627) 6.921 3.219 ( -1.536 0.679 7.384) 7.573 3.271 ( -0.553 8.923 10.021) 13.430 3.449 ( -1.166 -1.931 8.165) 8.471 3.532 ( 2.297 9.032 -3.406) 9.923 3.665 ( 1.182 13.175 1.455) 13.307 3.725 ( -5.842 5.787 0.486) 8.237 3.793 ( -5.705 5.862 -3.448) 8.877 3.874 ( -1.710 11.337 3.734) 12.058 4.052 ( 2.513 4.823 7.040) 8.896 4.100 ( -4.290 2.871 -1.302) 5.324 4.311 ( -3.135 6.716 -1.780) 7.622 4.347 ( 0.502 4.649 4.069) 6.198 4.474 ( 5.454 16.482 4.277) 17.880 4.478 ( -0.764 9.238 -1.737) 9.431 4.591 ( 0.689 9.967 -0.942) 10.035 4.653 ( 0.037 12.850 -2.707) 13.132 4.822 ( -2.054 11.608 1.383) 11.869 4.861 ( -1.172 7.095 -5.901) 9.303 4.968 ( 4.386 12.202 -7.819) 15.142 5.039 ( 2.855 14.731 -10.248) 18.171 5.203 ( 10.461 4.480 4.183) 12.125 5.354 ( 5.846 -1.651 0.343) 6.084 5.500 ( -1.800 6.675 6.918) 9.780 5.574 ( 1.349 9.446 5.253) 10.892 5.652 ( -0.423 6.685 -2.240) 7.063 5.816 ( -1.933 8.584 -4.783) 10.015 5.828 ( -1.939 13.796 2.169) 14.099 5.927 ( -3.195 6.033 -1.508) 6.991 6.554 ( 10.969 3.135 2.008) 11.583 6.698 ( 12.080 2.236 -4.999) 13.263 6.962 ( 9.115 0.645 7.349) 11.726 7.174 ( 8.637 4.530 -0.098) 9.753 7.348 ( -5.749 0.244 2.121) 6.133 7.634 ( -5.178 0.178 -3.837) 6.447 7.700 ( -3.587 0.724 0.610) 3.710 7.847 ( -7.158 -4.679 -4.361) 9.600 8.165 ( -1.651 0.350 3.308) 3.714 8.180 ( -1.119 1.945 7.662) 7.984 8.296 ( -3.152 7.719 1.116) 8.412 8.422 ( -5.601 7.564 -4.608) 10.480 8.580 ( 4.407 6.072 -1.806) 7.716 8.623 ( 4.826 11.548 1.247) 12.577 8.752 ( -1.089 2.348 -4.405) 5.109 8.985 ( 1.078 -5.516 -15.227) 16.231 9.266 ( -3.492 2.280 4.843) 6.391 9.456 ( -1.775 -4.921 10.766) 11.970 9.578 ( -5.394 6.738 -6.093) 10.565 9.690 ( -3.785 4.803 -1.017) 6.199 9.850 ( -0.143 7.677 3.374) 8.387 9.924 ( -0.747 7.067 1.229) 7.212 10.741 ( 2.224 -0.559 -0.015) 2.294 10.757 ( 3.443 -7.765 -0.417) 8.505 10.932 ( 10.820 -13.127 6.226) 18.115 11.351 ( 2.989 -7.870 -10.887) 13.762 11.661 ( -2.412 -11.650 4.524) 12.728 11.784 ( -1.487 -15.539 0.779) 15.629 11.825 ( -2.962 -13.780 6.238) 15.413 11.894 ( -2.397 -5.468 4.877) 7.709 12.005 ( -3.567 -10.959 -0.299) 11.529 12.156 ( -3.983 -6.026 -4.039) 8.276 12.352 ( 9.270 -8.598 -3.238) 13.052 12.408 ( 0.331 -13.935 -4.016) 14.506 12.844 ( -9.773 3.268 5.760) 11.806 13.089 ( -3.598 4.969 -4.327) 7.507 15.390 ( 1.484 -14.102 1.544) 14.263 15.551 ( -3.019 -12.454 -3.813) 13.370 15.582 ( 3.548 -2.485 4.125) 5.982 15.668 ( -0.372 -16.283 2.676) 16.505 15.739 ( 0.818 -5.111 -4.108) 6.608 15.866 ( 1.105 -0.701 -3.365) 3.610 16.292 ( 2.098 -2.208 4.639) 5.550 16.436 ( -1.152 1.100 -1.571) 2.237 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.393 11.671 -1.471) 11.770 1.820 ( -0.725 7.793 -3.018) 8.388 2.024 ( -0.832 8.320 3.730) 9.156 2.086 ( -7.612 9.445 6.409) 13.720 2.292 ( 0.041 13.908 -6.085) 15.181 2.334 ( -3.593 11.982 -5.512) 13.670 2.572 ( 5.421 3.833 -6.239) 9.111 2.641 ( 8.743 9.163 1.846) 12.799 2.735 ( -2.865 1.825 -5.129) 6.152 2.790 ( 5.316 3.314 -3.434) 7.144 2.899 ( 3.539 3.569 1.833) 5.350 2.989 ( -11.273 6.380 6.604) 14.540 3.138 ( 4.026 -3.118 1.257) 5.245 3.326 ( -11.464 -3.148 -0.774) 11.913 3.345 ( 5.156 3.230 8.280) 10.275 3.487 ( -9.467 5.069 4.990) 11.841 3.632 ( 5.226 9.025 -2.843) 10.810 3.719 ( 0.650 9.066 -2.715) 9.486 3.729 ( -0.773 13.781 -2.428) 14.015 3.810 ( -4.550 12.003 -0.958) 12.872 4.014 ( 1.758 4.399 7.458) 8.835 4.111 ( -5.201 2.080 7.827) 9.625 4.329 ( 7.459 4.886 -2.971) 9.398 4.402 ( 3.161 2.030 -1.656) 4.106 4.462 ( -0.692 11.274 1.645) 11.415 4.538 ( -5.240 11.445 1.629) 12.692 4.593 ( 5.234 17.131 3.626) 18.276 4.660 ( -0.568 12.719 1.101) 12.779 4.776 ( -0.637 15.903 -0.235) 15.917 4.819 ( -3.062 7.410 -4.772) 9.330 5.061 ( 3.334 11.904 -10.812) 16.423 5.082 ( 0.996 14.390 -11.006) 18.144 5.379 ( 5.896 5.839 4.834) 9.603 5.451 ( -1.438 13.744 4.806) 14.631 5.501 ( 6.003 -6.227 2.182) 8.921 5.587 ( -1.097 4.100 3.029) 5.214 5.671 ( 2.838 5.971 -1.264) 6.731 5.754 ( -4.186 5.287 -3.802) 7.741 5.801 ( -0.006 13.015 1.649) 13.119 5.847 ( -4.033 10.699 0.205) 11.436 6.806 ( 12.840 0.755 3.048) 13.219 6.942 ( 6.170 1.121 -1.623) 6.478 7.130 ( 4.330 0.580 3.243) 5.441 7.231 ( -2.964 5.066 2.376) 6.332 7.378 ( 9.935 2.682 0.158) 10.291 7.529 ( -3.637 1.486 0.385) 3.947 7.599 ( -4.988 1.770 -1.799) 5.590 7.677 ( -8.512 -2.757 -2.294) 9.237 8.146 ( 0.307 0.530 1.967) 2.061 8.167 ( -1.450 0.378 2.803) 3.179 8.247 ( -0.697 6.934 -1.032) 7.045 8.292 ( -5.553 7.983 -2.302) 9.994 8.631 ( 3.019 5.159 -4.164) 7.284 8.691 ( -1.707 3.847 -5.782) 7.151 8.790 ( 6.241 1.786 -0.196) 6.494 8.929 ( -6.781 -3.314 -5.455) 9.312 9.262 ( 4.246 2.502 2.773) 5.655 9.380 ( -6.094 0.244 2.631) 6.643 9.525 ( 1.124 1.873 -1.455) 2.625 9.593 ( -4.934 0.077 -2.077) 5.354 9.871 ( 1.898 13.089 6.735) 14.842 9.907 ( -1.368 12.414 5.041) 13.468 10.787 ( 1.787 -3.219 -1.024) 3.821 10.798 ( 0.765 -5.441 -1.365) 5.661 11.199 ( 13.526 -15.823 0.492) 20.822 11.380 ( -2.692 -13.797 -7.392) 15.882 11.640 ( 0.933 -16.375 3.331) 16.736 11.696 ( -4.485 -21.539 2.600) 22.154 11.786 ( -1.272 -2.951 3.831) 5.001 11.820 ( -4.599 -5.762 2.248) 7.707 11.989 ( 2.288 -4.205 1.009) 4.892 12.064 ( -4.701 -3.795 -1.744) 6.289 12.421 ( 2.051 -10.392 -1.228) 10.664 12.473 ( -0.765 -5.175 -4.075) 6.631 12.765 ( 5.225 -3.566 4.305) 7.651 12.947 ( -9.736 -0.267 -3.383) 10.311 15.430 ( 2.480 -13.432 0.253) 13.662 15.486 ( -3.084 -12.173 -1.418) 12.638 15.649 ( 2.321 -11.218 0.832) 11.486 15.672 ( -0.138 -14.078 1.234) 14.133 15.774 ( 3.194 0.555 -1.231) 3.468 15.845 ( -2.965 2.676 -1.173) 4.163 16.349 ( 3.097 -1.545 1.655) 3.836 16.402 ( -2.188 0.001 -0.366) 2.219 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 4.592 0.177) 4.596 1.954 ( 0.000 4.646 -3.873) 6.048 2.417 ( 0.000 0.223 -0.555) 0.599 2.422 ( 0.000 0.202 -3.029) 3.035 2.466 ( 0.000 5.169 -0.676) 5.213 2.561 ( 0.000 9.923 -2.175) 10.158 2.611 ( 0.000 10.898 2.071) 11.093 2.618 ( 0.000 11.777 3.529) 12.295 2.772 ( 0.000 0.415 5.032) 5.049 2.818 ( 0.000 12.240 -1.686) 12.355 2.951 ( 0.000 4.180 -0.280) 4.189 3.075 ( 0.000 0.202 -1.299) 1.314 3.212 ( 0.000 -4.738 0.686) 4.787 3.349 ( 0.000 -6.174 8.418) 10.440 3.459 ( 0.000 4.601 -4.092) 6.158 3.568 ( 0.000 2.959 -6.246) 6.912 3.807 ( 0.000 2.053 4.725) 5.152 3.851 ( 0.000 -2.662 3.041) 4.042 3.878 ( 0.000 -3.503 4.724) 5.881 3.923 ( 0.000 -0.566 -1.845) 1.930 4.161 ( 0.000 9.205 0.506) 9.219 4.278 ( 0.000 0.572 -5.028) 5.060 4.359 ( 0.000 5.710 5.210) 7.730 4.458 ( 0.000 6.315 3.304) 7.127 4.554 ( 0.000 -0.860 -5.072) 5.144 4.628 ( 0.000 1.049 -6.217) 6.305 4.818 ( 0.000 1.414 -1.609) 2.142 4.888 ( 0.000 13.818 1.947) 13.954 4.904 ( 0.000 1.735 -1.476) 2.278 5.076 ( 0.000 -5.503 -0.846) 5.567 5.098 ( 0.000 8.214 4.560) 9.394 5.100 ( 0.000 15.018 0.383) 15.023 5.328 ( 0.000 14.271 -4.537) 14.975 5.350 ( 0.000 15.170 0.238) 15.172 5.606 ( 0.000 -1.771 1.954) 2.637 5.631 ( 0.000 2.283 5.903) 6.329 6.015 ( 0.000 19.553 -2.495) 19.711 6.047 ( 0.000 14.425 -3.519) 14.848 6.156 ( 0.000 11.603 -1.207) 11.666 6.172 ( 0.000 15.700 -0.627) 15.713 6.560 ( 0.000 7.954 2.614) 8.372 6.691 ( 0.000 8.929 -3.127) 9.461 6.875 ( 0.000 0.846 6.699) 6.752 7.136 ( 0.000 -0.746 -3.674) 3.749 7.447 ( 0.000 4.928 4.557) 6.712 7.714 ( 0.000 2.443 0.111) 2.446 7.716 ( 0.000 1.070 -4.558) 4.682 7.822 ( 0.000 -3.822 -4.423) 5.845 8.148 ( 0.000 -0.643 5.343) 5.382 8.224 ( 0.000 -4.017 7.347) 8.374 8.411 ( 0.000 -7.136 -5.562) 9.048 8.512 ( 0.000 10.215 4.636) 11.218 8.715 ( 0.000 7.759 -8.604) 11.586 8.741 ( 0.000 6.657 5.582) 8.687 8.791 ( 0.000 -7.106 -12.123) 14.052 9.026 ( 0.000 13.494 -5.088) 14.421 9.343 ( 0.000 1.463 6.919) 7.072 9.367 ( 0.000 -5.440 11.511) 12.731 9.745 ( 0.000 3.794 -8.197) 9.032 9.815 ( 0.000 -3.992 -7.549) 8.539 9.959 ( 0.000 8.796 0.104) 8.797 9.997 ( 0.000 2.073 -0.822) 2.230 10.471 ( 0.000 -7.915 14.449) 16.475 10.716 ( 0.000 -3.626 3.446) 5.002 10.723 ( 0.000 -1.053 -2.113) 2.361 11.088 ( 0.000 -15.003 -6.741) 16.448 11.429 ( 0.000 -24.427 5.407) 25.019 11.451 ( 0.000 -15.302 2.639) 15.527 11.709 ( 0.000 2.762 2.201) 3.531 11.800 ( 0.000 -9.695 -1.861) 9.872 11.904 ( 0.000 -0.160 1.731) 1.738 12.080 ( 0.000 -4.835 -3.680) 6.076 12.102 ( 0.000 -3.669 -1.011) 3.806 12.142 ( 0.000 -10.003 -3.137) 10.483 13.102 ( 0.000 5.553 2.241) 5.988 13.224 ( 0.000 4.468 -2.532) 5.135 15.097 ( 0.000 -12.366 1.224) 12.426 15.250 ( 0.000 -15.150 -3.478) 15.545 15.432 ( 0.000 -9.466 1.412) 9.571 15.449 ( 0.000 -12.130 -0.978) 12.170 15.636 ( 0.000 2.343 3.143) 3.920 15.882 ( 0.000 1.078 -8.149) 8.220 16.269 ( 0.000 1.890 8.292) 8.505 16.475 ( 0.000 0.788 -2.012) 2.161 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 1.164 4.469 -0.502) 4.645 1.962 ( 0.569 3.985 -3.328) 5.223 2.283 ( -7.784 4.598 2.443) 9.365 2.419 ( -6.568 2.962 6.803) 9.909 2.493 ( 1.023 3.374 -5.552) 6.576 2.553 ( 3.715 7.646 -1.855) 8.701 2.593 ( -1.735 8.767 -1.579) 9.075 2.631 ( 3.534 9.893 -0.099) 10.505 2.771 ( 3.403 9.294 -2.400) 10.184 2.869 ( -4.052 3.724 -1.691) 5.757 2.931 ( 1.161 2.973 -1.680) 3.607 3.086 ( 1.991 1.949 0.801) 2.899 3.231 ( 3.184 -0.489 6.932) 7.643 3.328 ( -1.397 -7.360 5.677) 9.399 3.423 ( -8.062 7.237 3.504) 11.387 3.626 ( 4.519 0.865 -4.676) 6.560 3.751 ( -10.779 -2.446 -1.414) 11.144 3.793 ( 1.843 -1.013 -0.525) 2.168 3.891 ( 0.182 2.103 1.084) 2.373 3.989 ( 8.067 -2.433 1.878) 8.633 4.123 ( -3.294 8.184 1.525) 8.953 4.216 ( -4.851 7.564 -1.676) 9.141 4.313 ( -1.737 2.163 0.741) 2.871 4.428 ( -4.310 3.205 0.176) 5.374 4.565 ( 2.431 3.060 -0.341) 3.923 4.671 ( 1.546 0.459 -0.501) 1.688 4.791 ( -1.001 2.321 -3.992) 4.725 4.882 ( -0.663 8.900 -5.359) 10.410 5.000 ( 5.859 10.737 2.216) 12.431 5.102 ( 3.607 -0.116 3.057) 4.730 5.122 ( 2.187 7.744 -2.496) 8.425 5.160 ( 3.121 -0.346 3.220) 4.498 5.323 ( 1.955 12.463 -1.053) 12.660 5.389 ( 1.738 13.942 0.518) 14.060 5.622 ( 1.500 -0.008 1.088) 1.853 5.632 ( 0.285 3.869 4.088) 5.636 6.011 ( -0.373 18.201 -2.333) 18.354 6.040 ( -0.585 17.304 -3.328) 17.631 6.146 ( -1.094 14.631 0.096) 14.673 6.160 ( -0.937 14.712 -0.655) 14.756 6.662 ( 8.759 6.754 2.695) 11.385 6.778 ( 8.496 5.446 -3.015) 10.532 6.962 ( 7.626 -0.790 6.022) 9.749 7.195 ( 5.035 -2.682 -3.704) 6.802 7.434 ( -0.635 7.833 4.292) 8.955 7.662 ( -3.804 3.023 -2.821) 5.618 7.715 ( -1.698 1.573 -0.551) 2.379 7.776 ( -4.027 -1.011 -2.709) 4.958 8.150 ( -0.333 -0.615 3.682) 3.748 8.195 ( -1.697 -1.901 6.864) 7.322 8.380 ( -3.243 -1.670 -4.152) 5.527 8.470 ( -2.140 3.960 1.355) 4.701 8.675 ( -2.845 4.590 -1.664) 5.651 8.771 ( -2.549 -9.003 -10.380) 13.975 8.849 ( 6.062 9.942 -4.036) 12.324 8.972 ( -3.678 10.187 -3.587) 11.409 9.311 ( -2.067 2.117 6.952) 7.555 9.351 ( -0.533 -5.015 10.484) 11.634 9.677 ( -7.835 -2.449 -4.513) 9.367 9.716 ( -3.653 7.435 -9.312) 12.463 10.039 ( 4.492 6.862 3.093) 8.765 10.073 ( 4.911 7.308 1.807) 8.988 10.552 ( 7.214 -11.795 7.463) 15.712 10.722 ( 0.060 -3.623 -1.657) 3.984 10.742 ( 2.849 -4.281 3.220) 6.068 11.083 ( -0.402 -16.459 -6.525) 17.710 11.348 ( -6.409 -22.044 4.312) 23.358 11.388 ( -6.428 -19.336 2.150) 20.490 11.729 ( 1.358 0.284 2.550) 2.903 11.772 ( -1.416 -4.693 2.091) 5.330 11.909 ( 0.907 -1.660 -0.584) 1.980 12.042 ( -2.907 -5.457 -4.860) 7.864 12.184 ( 4.322 -6.434 -0.041) 7.751 12.253 ( 11.797 -3.437 -3.737) 12.844 12.931 ( -13.706 4.963 5.201) 15.477 13.163 ( -7.602 2.108 -4.074) 8.879 15.116 ( 2.010 -12.043 0.798) 12.235 15.260 ( 0.791 -13.780 -4.107) 14.401 15.378 ( -3.268 -11.912 1.552) 12.449 15.452 ( -0.987 -10.759 -1.718) 10.940 15.711 ( 6.677 3.466 3.446) 8.275 15.935 ( 3.880 3.183 -6.908) 8.538 16.271 ( 0.551 0.250 7.588) 7.612 16.455 ( -2.047 0.294 -1.569) 2.595 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.658 4.250 -2.590) 5.246 1.953 ( -1.732 4.018 -3.630) 5.685 2.195 ( -0.096 6.432 6.579) 9.202 2.265 ( -6.460 7.214 9.197) 13.355 2.540 ( 2.227 8.006 -6.584) 10.602 2.560 ( -0.698 11.193 -3.895) 11.872 2.586 ( 2.003 2.431 -5.980) 6.759 2.707 ( -8.267 -1.648 -9.139) 12.433 2.803 ( 10.182 6.397 3.387) 12.492 2.912 ( 6.295 2.769 1.264) 6.993 2.982 ( 4.339 4.921 2.504) 7.023 3.109 ( 0.103 6.444 3.054) 7.132 3.204 ( -8.113 8.549 1.599) 11.894 3.225 ( -9.173 -1.449 -1.590) 9.422 3.355 ( 4.962 -1.408 8.901) 10.287 3.496 ( -9.808 -1.118 4.510) 10.852 3.724 ( 4.302 -1.344 -2.206) 5.018 3.791 ( -2.179 -2.140 1.453) 3.381 3.960 ( 4.185 7.909 -4.207) 9.887 4.031 ( -3.699 8.952 -2.642) 10.040 4.150 ( 0.136 8.818 2.419) 9.145 4.186 ( 4.602 2.696 2.068) 5.721 4.263 ( 0.209 -3.111 -2.006) 3.708 4.364 ( -3.134 -3.927 -4.458) 6.717 4.599 ( 1.399 5.151 3.757) 6.527 4.648 ( -3.188 3.235 3.736) 5.881 4.810 ( 2.705 4.234 -4.701) 6.881 4.864 ( -1.795 6.354 -6.436) 9.220 5.075 ( 2.434 13.366 1.838) 13.710 5.113 ( -1.611 13.919 0.530) 14.022 5.199 ( 4.123 -5.874 0.137) 7.178 5.227 ( 1.686 -9.251 0.618) 9.424 5.382 ( 2.559 9.755 2.603) 10.416 5.407 ( -0.038 11.069 2.156) 11.277 5.644 ( 1.085 4.906 1.202) 5.166 5.653 ( 0.639 3.382 -0.467) 3.474 6.008 ( 0.393 18.743 -1.713) 18.825 6.026 ( -0.965 20.188 -2.528) 20.368 6.125 ( -0.386 16.450 0.939) 16.481 6.138 ( -1.239 15.468 0.113) 15.518 6.848 ( 8.860 2.745 2.617) 9.638 6.943 ( 2.615 -0.589 0.306) 2.698 7.121 ( 8.629 -2.184 0.657) 8.925 7.258 ( -1.500 -3.851 -3.051) 5.137 7.484 ( 6.213 8.740 2.592) 11.032 7.583 ( -2.934 5.302 -1.784) 6.317 7.658 ( -2.861 2.555 1.365) 4.072 7.681 ( -5.207 6.264 2.001) 8.388 8.141 ( 0.230 -0.759 2.484) 2.608 8.167 ( -1.814 -0.254 4.582) 4.934 8.342 ( 0.549 2.244 -4.834) 5.357 8.402 ( -4.594 3.709 -3.327) 6.777 8.631 ( -0.155 -2.588 -2.098) 3.335 8.684 ( -4.715 -5.914 -6.497) 9.971 8.915 ( 0.960 8.161 -2.675) 8.641 8.932 ( -0.906 3.849 -2.786) 4.837 9.323 ( 2.915 3.215 5.359) 6.896 9.355 ( 0.278 -1.750 6.927) 7.150 9.566 ( -1.880 2.066 -4.302) 5.129 9.619 ( -5.430 6.067 -7.297) 10.933 10.115 ( 2.552 9.370 6.367) 11.612 10.131 ( 0.981 10.071 6.472) 12.011 10.673 ( 3.540 -8.514 -0.936) 9.268 10.714 ( -1.007 -5.631 -1.935) 6.039 10.880 ( 10.686 -14.201 1.341) 17.823 11.059 ( -3.955 -17.388 -5.589) 18.687 11.223 ( -4.968 -21.712 2.965) 22.470 11.238 ( -5.683 -23.796 3.147) 24.667 11.749 ( 0.781 -1.577 3.003) 3.480 11.760 ( -0.255 -0.631 3.633) 3.697 11.939 ( 1.964 -2.734 -2.413) 4.142 11.985 ( -2.626 -4.318 -4.115) 6.517 12.305 ( 8.240 -1.138 2.373) 8.650 12.453 ( 0.632 2.087 -4.623) 5.111 12.716 ( 0.408 -1.628 5.576) 5.824 12.935 ( -13.928 -1.450 -3.712) 14.487 15.175 ( 3.620 -11.098 -0.299) 11.678 15.246 ( -2.836 -10.496 -2.266) 11.106 15.356 ( 1.540 -13.969 -0.537) 14.064 15.408 ( -2.956 -12.664 -2.158) 13.182 15.863 ( 7.361 6.091 2.361) 9.842 15.965 ( -2.002 6.906 -1.941) 7.448 16.311 ( 3.650 -2.396 3.445) 5.562 16.394 ( -3.932 -1.207 -0.149) 4.115 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 5.142 -0.850) 5.212 2.041 ( 0.000 4.206 -5.531) 6.948 2.317 ( 0.000 -6.478 -0.732) 6.519 2.360 ( 0.000 -5.063 -3.658) 6.246 2.610 ( 0.000 8.452 2.983) 8.963 2.762 ( 0.000 6.521 0.909) 6.584 2.780 ( 0.000 3.625 6.433) 7.384 2.790 ( 0.000 7.000 2.686) 7.497 2.874 ( 0.000 8.135 0.389) 8.145 2.993 ( 0.000 1.837 3.733) 4.160 3.021 ( 0.000 -3.241 -2.914) 4.359 3.051 ( 0.000 3.121 -2.485) 3.990 3.129 ( 0.000 2.122 3.750) 4.309 3.327 ( 0.000 4.915 4.922) 6.956 3.442 ( 0.000 -5.193 -9.592) 10.907 3.588 ( 0.000 -2.752 -5.767) 6.390 3.739 ( 0.000 -6.942 2.429) 7.355 3.771 ( 0.000 -7.412 2.675) 7.880 3.807 ( 0.000 1.383 2.039) 2.463 3.893 ( 0.000 -1.647 -0.591) 1.750 4.321 ( 0.000 5.826 -1.982) 6.153 4.332 ( 0.000 3.611 -3.485) 5.018 4.476 ( 0.000 5.064 1.141) 5.191 4.534 ( 0.000 0.259 -1.264) 1.290 4.589 ( 0.000 4.798 -1.183) 4.941 4.616 ( 0.000 -0.654 -3.885) 3.940 4.799 ( 0.000 -2.351 5.557) 6.034 4.871 ( 0.000 -4.612 2.279) 5.144 4.948 ( 0.000 0.591 0.163) 0.613 4.954 ( 0.000 -3.134 0.292) 3.148 5.399 ( 0.000 12.978 0.048) 12.978 5.403 ( 0.000 10.651 -0.786) 10.680 5.468 ( 0.000 1.710 2.629) 3.136 5.559 ( 0.000 -0.659 -1.805) 1.922 5.602 ( 0.000 8.611 3.823) 9.421 5.704 ( 0.000 4.449 0.318) 4.461 6.316 ( 0.000 10.687 -0.866) 10.722 6.320 ( 0.000 10.693 -1.048) 10.744 6.366 ( 0.000 8.911 -2.802) 9.341 6.415 ( 0.000 8.080 -3.620) 8.854 6.714 ( 0.000 6.942 4.596) 8.325 6.855 ( 0.000 3.286 3.873) 5.079 6.885 ( 0.000 3.100 -0.582) 3.154 7.074 ( 0.000 -4.441 -3.293) 5.529 7.573 ( 0.000 6.657 2.079) 6.974 7.721 ( 0.000 -0.847 -3.211) 3.320 7.803 ( 0.000 2.175 -1.868) 2.867 7.841 ( 0.000 9.248 -3.414) 9.858 8.098 ( 0.000 -6.002 5.216) 7.952 8.159 ( 0.000 0.425 3.002) 3.032 8.278 ( 0.000 -5.909 -1.847) 6.191 8.477 ( 0.000 -16.185 -9.603) 18.820 8.751 ( 0.000 13.423 5.700) 14.583 8.865 ( 0.000 6.350 7.550) 9.865 8.969 ( 0.000 8.943 -5.305) 10.398 9.192 ( 0.000 -1.580 2.908) 3.310 9.254 ( 0.000 -2.319 2.251) 3.232 9.456 ( 0.000 11.805 3.354) 12.272 9.620 ( 0.000 -10.770 -7.294) 13.008 9.882 ( 0.000 0.583 -12.509) 12.523 9.988 ( 0.000 0.618 2.335) 2.415 10.036 ( 0.000 0.705 -0.300) 0.766 10.440 ( 0.000 3.970 12.876) 13.474 10.670 ( 0.000 -3.971 -2.863) 4.895 10.672 ( 0.000 -1.212 2.544) 2.818 10.873 ( 0.000 -5.858 1.420) 6.028 10.950 ( 0.000 -21.482 5.165) 22.094 11.116 ( 0.000 -16.639 -2.240) 16.789 11.693 ( 0.000 -1.540 1.044) 1.860 11.781 ( 0.000 1.615 -2.209) 2.737 11.860 ( 0.000 -2.766 0.639) 2.839 11.988 ( 0.000 -4.558 -3.089) 5.506 12.050 ( 0.000 0.128 0.108) 0.167 12.072 ( 0.000 -0.140 -0.690) 0.704 13.198 ( 0.000 4.077 1.638) 4.393 13.275 ( 0.000 0.735 -1.282) 1.477 14.915 ( 0.000 -5.657 -0.551) 5.684 15.001 ( 0.000 -9.638 -3.043) 10.107 15.267 ( 0.000 -6.031 -1.499) 6.214 15.275 ( 0.000 -5.838 -1.139) 5.948 15.705 ( 0.000 4.178 3.689) 5.573 15.862 ( 0.000 -2.695 -3.243) 4.217 16.334 ( 0.000 4.200 4.790) 6.370 16.468 ( 0.000 -1.561 -1.118) 1.920 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.754 4.768 -0.382) 4.843 2.044 ( 0.119 4.403 -3.831) 5.837 2.257 ( -4.312 -4.560 1.348) 6.419 2.351 ( -1.583 -6.272 -2.057) 6.788 2.620 ( -1.873 5.855 -0.392) 6.160 2.694 ( 1.258 4.996 -0.470) 5.173 2.783 ( -0.204 9.205 3.042) 9.696 2.798 ( -3.025 6.404 -0.570) 7.106 2.883 ( -1.121 2.815 1.152) 3.242 2.922 ( -2.261 3.484 1.261) 4.341 3.039 ( 0.085 2.528 -0.943) 2.699 3.106 ( 5.383 -2.711 1.684) 6.258 3.197 ( 5.921 1.709 4.665) 7.729 3.291 ( -1.134 5.514 4.677) 7.319 3.541 ( 0.569 0.519 -3.357) 3.444 3.601 ( -0.332 -0.357 -3.859) 3.889 3.677 ( 0.145 -5.289 -2.853) 6.011 3.705 ( -1.758 -5.099 -1.170) 5.519 3.824 ( -2.023 -3.913 2.115) 4.887 3.945 ( 5.298 -3.655 -0.299) 6.443 4.265 ( -3.807 5.317 -0.976) 6.612 4.317 ( -1.802 2.718 -4.841) 5.837 4.412 ( -4.408 5.672 1.457) 7.330 4.473 ( -4.852 1.749 -1.676) 5.423 4.637 ( 3.319 2.866 -0.207) 4.390 4.684 ( 4.072 1.918 -1.215) 4.663 4.798 ( 1.065 -1.218 2.736) 3.179 4.921 ( 1.391 -4.419 -0.605) 4.672 4.981 ( 4.911 -0.578 1.104) 5.066 4.990 ( 2.784 -3.499 1.964) 4.884 5.280 ( -5.229 6.253 1.236) 8.244 5.355 ( -6.250 2.568 0.783) 6.803 5.533 ( 5.366 10.366 1.870) 11.821 5.608 ( 1.023 7.411 4.739) 8.856 5.659 ( 5.192 4.014 -2.949) 7.195 5.720 ( 1.445 4.236 -0.433) 4.497 6.306 ( 0.140 11.473 -0.552) 11.488 6.341 ( 1.017 10.615 -1.580) 10.780 6.384 ( 1.293 9.489 -1.963) 9.776 6.414 ( -0.361 9.046 -2.794) 9.475 6.784 ( 6.050 5.080 3.747) 8.743 6.882 ( 2.903 3.612 0.623) 4.675 6.937 ( 4.363 -0.678 2.653) 5.151 7.105 ( 2.664 -5.614 -3.156) 6.969 7.599 ( 2.668 7.828 0.981) 8.329 7.717 ( -0.508 1.557 -2.957) 3.380 7.775 ( -1.294 5.054 0.227) 5.222 7.860 ( 0.732 8.179 -2.969) 8.732 8.107 ( 0.558 -5.141 4.899) 7.124 8.152 ( -0.037 0.575 2.438) 2.505 8.281 ( 0.203 -5.739 -2.435) 6.238 8.470 ( -1.285 -13.105 -7.977) 15.395 8.689 ( -5.117 9.663 5.142) 12.083 8.769 ( -6.408 5.435 2.440) 8.750 8.982 ( -2.645 0.312 -1.384) 3.002 9.110 ( -6.872 -2.161 2.916) 7.771 9.289 ( 5.050 4.836 0.412) 7.005 9.434 ( -0.436 10.841 0.665) 10.871 9.637 ( 0.747 -1.402 -3.553) 3.892 9.868 ( -1.896 4.486 -11.793) 12.759 10.061 ( 6.140 -1.673 2.571) 6.863 10.131 ( 8.429 -3.624 -1.486) 9.295 10.410 ( -2.902 -0.276 12.315) 12.655 10.624 ( -2.878 -4.775 -2.005) 5.925 10.701 ( 1.132 -1.608 1.480) 2.461 10.837 ( -3.143 -7.143 1.032) 7.872 10.894 ( -4.284 -20.406 5.607) 21.592 11.031 ( -7.643 -15.991 -1.794) 17.815 11.701 ( 1.091 -0.329 1.461) 1.853 11.792 ( 0.368 2.239 -0.317) 2.291 11.846 ( -0.384 -3.883 -0.878) 3.999 11.954 ( -2.398 -3.800 -3.370) 5.616 12.136 ( 7.792 0.996 1.555) 8.008 12.213 ( 12.205 -1.401 -1.967) 12.442 13.029 ( -14.580 4.807 3.242) 15.691 13.169 ( -10.804 -1.409 -2.190) 11.113 14.941 ( 2.652 -5.324 -0.794) 6.001 15.029 ( 2.658 -9.180 -3.452) 10.161 15.210 ( -3.830 -4.969 -0.401) 6.287 15.268 ( -2.170 -7.210 -2.578) 7.959 15.798 ( 8.371 4.832 3.642) 10.329 15.951 ( 7.731 -1.530 -3.299) 8.544 16.308 ( -2.551 3.332 5.101) 6.605 16.439 ( -2.947 -1.918 -0.852) 3.618 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 1.509 4.571 -0.886) 4.895 2.031 ( -1.515 4.760 -2.025) 5.390 2.219 ( 1.278 -3.438 3.124) 4.818 2.285 ( -4.320 -4.794 2.266) 6.840 2.614 ( 2.327 4.725 -3.413) 6.276 2.680 ( -2.897 1.096 -4.511) 5.472 2.722 ( -1.406 4.931 -0.405) 5.144 2.766 ( -5.390 4.410 -2.113) 7.277 2.904 ( 5.802 4.499 1.559) 7.506 2.938 ( 1.569 4.272 2.172) 5.043 3.050 ( 1.714 1.283 2.969) 3.661 3.139 ( -3.884 -2.683 3.878) 6.110 3.317 ( 6.879 6.554 3.317) 10.064 3.353 ( 6.610 6.906 2.603) 9.907 3.463 ( -4.442 7.194 1.222) 8.543 3.500 ( -10.146 6.057 -2.563) 12.091 3.642 ( 2.285 -4.941 -0.176) 5.447 3.705 ( -3.807 -4.485 2.171) 6.271 3.936 ( 9.180 -10.590 -8.123) 16.198 4.023 ( 0.953 -8.023 -5.613) 9.838 4.226 ( 1.352 5.607 -0.474) 5.787 4.290 ( -0.102 2.718 -3.016) 4.061 4.316 ( -5.121 3.620 0.734) 6.313 4.358 ( -5.821 3.858 -0.627) 7.012 4.696 ( 2.335 4.186 1.941) 5.171 4.725 ( -0.214 4.545 2.400) 5.144 4.848 ( 3.800 -0.944 -1.556) 4.213 4.916 ( -2.105 -1.902 -3.356) 4.394 5.056 ( 3.263 -2.989 1.729) 4.750 5.073 ( 2.595 -2.238 0.887) 3.540 5.210 ( -1.143 0.476 3.831) 4.026 5.249 ( -4.185 -0.240 2.896) 5.095 5.610 ( 2.208 10.613 2.690) 11.169 5.626 ( 0.429 9.441 3.457) 10.063 5.735 ( 2.237 3.995 -2.618) 5.274 5.747 ( 0.820 4.039 -1.905) 4.540 6.327 ( 1.821 12.248 -0.658) 12.400 6.354 ( -0.088 11.813 -1.909) 11.966 6.395 ( -0.386 9.981 -0.678) 10.012 6.398 ( -0.651 9.810 -0.954) 9.878 6.895 ( 4.440 2.124 1.882) 5.270 6.942 ( 0.560 1.090 0.469) 1.312 7.043 ( 6.520 -4.924 1.121) 8.248 7.134 ( -1.249 -7.278 -1.895) 7.624 7.675 ( 3.939 9.405 0.329) 10.202 7.708 ( -0.156 6.862 -0.022) 6.864 7.778 ( 1.804 7.620 1.509) 7.975 7.841 ( -2.929 8.246 -0.887) 8.796 8.118 ( 1.011 -1.275 3.133) 3.531 8.148 ( -1.251 -0.712 3.473) 3.760 8.310 ( 3.655 -5.281 -6.298) 8.995 8.408 ( -4.807 -7.016 -6.961) 10.990 8.606 ( -2.174 4.074 3.800) 5.980 8.637 ( -5.387 4.003 2.711) 7.238 8.927 ( -0.686 -5.667 -0.128) 5.710 8.976 ( -5.304 -4.780 1.410) 7.278 9.416 ( 5.209 10.369 -1.874) 11.754 9.448 ( 0.945 11.025 -1.027) 11.113 9.665 ( 3.363 6.596 -3.277) 8.097 9.783 ( -6.553 7.947 -9.175) 13.794 10.187 ( 5.816 -2.551 5.715) 8.544 10.271 ( -0.201 2.258 7.057) 7.412 10.391 ( 6.004 -16.895 -0.592) 17.940 10.542 ( -5.934 -10.021 -4.036) 12.326 10.724 ( 1.759 -3.809 3.060) 5.193 10.781 ( -2.640 -10.816 2.876) 11.499 10.822 ( -1.745 -14.426 2.674) 14.775 10.870 ( -6.459 -12.133 0.171) 13.746 11.736 ( 2.209 0.726 1.766) 2.920 11.777 ( -1.636 1.895 1.587) 2.964 11.860 ( 1.606 -4.598 -2.454) 5.454 11.903 ( -2.547 -3.982 -2.909) 5.550 12.350 ( 13.224 4.505 2.824) 14.253 12.492 ( 12.238 0.245 -3.751) 12.802 12.712 ( -12.902 1.931 5.104) 14.008 12.882 ( -16.461 -3.909 -2.231) 17.065 15.016 ( 4.549 -4.663 -1.393) 6.662 15.087 ( 0.924 -6.054 -3.818) 7.217 15.136 ( -1.492 -7.201 -0.575) 7.377 15.198 ( -4.268 -8.156 -2.917) 9.656 15.988 ( 9.191 6.220 2.789) 11.443 16.089 ( 2.299 4.791 -2.143) 5.730 16.259 ( 0.190 -2.278 4.539) 5.082 16.350 ( -5.754 -3.190 0.056) 6.580 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 -3.387 -3.922) 5.182 2.067 ( 0.000 3.387 -3.922) 5.182 2.262 ( 0.000 -2.857 -2.165) 3.584 2.262 ( 0.000 2.857 -2.165) 3.584 2.768 ( 0.000 -5.896 3.448) 6.830 2.768 ( 0.000 5.896 3.448) 6.830 2.843 ( 0.000 -1.897 4.809) 5.169 2.843 ( 0.000 1.897 4.809) 5.169 2.933 ( 0.000 -1.707 2.357) 2.910 2.933 ( 0.000 1.707 2.357) 2.910 3.051 ( 0.000 -0.680 0.052) 0.682 3.051 ( 0.000 0.680 0.052) 0.682 3.304 ( 0.000 -8.529 -5.015) 9.895 3.304 ( 0.000 8.529 -5.015) 9.895 3.471 ( 0.000 -7.893 -0.700) 7.924 3.471 ( 0.000 7.893 -0.700) 7.924 3.660 ( 0.000 -1.104 1.131) 1.580 3.660 ( 0.000 1.104 1.131) 1.580 3.855 ( 0.000 -2.403 -1.351) 2.757 3.855 ( 0.000 2.403 -1.351) 2.757 4.376 ( 0.000 -0.150 -2.908) 2.912 4.376 ( 0.000 0.150 -2.908) 2.912 4.534 ( 0.000 -0.772 -1.522) 1.706 4.534 ( 0.000 0.772 -1.522) 1.706 4.627 ( 0.000 -1.004 -0.829) 1.302 4.627 ( 0.000 1.004 -0.829) 1.302 4.789 ( 0.000 -2.524 3.251) 4.116 4.789 ( 0.000 2.524 3.251) 4.116 4.944 ( 0.000 -0.804 1.427) 1.638 4.944 ( 0.000 0.805 1.427) 1.638 5.462 ( 0.000 -0.544 4.883) 4.913 5.462 ( 0.000 0.544 4.883) 4.913 5.571 ( 0.000 -2.204 -2.990) 3.714 5.571 ( 0.000 2.204 -2.990) 3.714 5.722 ( 0.000 -3.067 0.642) 3.134 5.722 ( 0.000 3.068 0.642) 3.134 6.426 ( 0.000 -0.113 -0.722) 0.731 6.426 ( 0.000 0.113 -0.722) 0.731 6.479 ( 0.000 -1.693 -3.894) 4.246 6.479 ( 0.000 1.693 -3.894) 4.246 6.819 ( 0.000 -3.707 5.156) 6.350 6.819 ( 0.000 3.707 5.156) 6.350 6.987 ( 0.000 -4.427 -2.523) 5.095 6.987 ( 0.000 4.427 -2.523) 5.095 7.679 ( 0.000 -3.663 -0.991) 3.794 7.679 ( 0.000 3.663 -0.991) 3.794 7.890 ( 0.000 -5.376 -0.154) 5.378 7.890 ( 0.000 5.376 -0.154) 5.378 8.156 ( 0.000 -11.871 -2.926) 12.226 8.156 ( 0.000 11.871 -2.926) 12.226 8.198 ( 0.000 -5.042 0.038) 5.042 8.198 ( 0.000 5.042 0.038) 5.042 8.987 ( 0.000 -5.836 4.906) 7.624 8.987 ( 0.000 5.836 4.906) 7.624 9.016 ( 0.000 -11.693 6.815) 13.534 9.016 ( 0.000 11.693 6.815) 13.534 9.385 ( 0.000 -11.822 -6.451) 13.467 9.385 ( 0.000 11.822 -6.451) 13.467 9.721 ( 0.000 -12.637 -7.576) 14.734 9.721 ( 0.000 12.637 -7.576) 14.734 10.049 ( 0.000 -0.690 3.834) 3.895 10.049 ( 0.000 0.690 3.834) 3.895 10.562 ( 0.000 -7.669 5.225) 9.280 10.562 ( 0.000 7.669 5.225) 9.280 10.675 ( 0.000 -3.293 0.640) 3.354 10.675 ( 0.000 3.293 0.640) 3.355 10.878 ( 0.000 -5.828 -0.225) 5.832 10.878 ( 0.000 5.828 -0.225) 5.832 11.720 ( 0.000 -3.745 -0.799) 3.829 11.720 ( 0.000 3.745 -0.798) 3.830 11.901 ( 0.000 -4.097 -0.772) 4.169 11.901 ( 0.000 4.097 -0.772) 4.169 12.068 ( 0.000 -0.675 -0.110) 0.684 12.068 ( 0.000 0.675 -0.110) 0.684 13.260 ( 0.000 -2.063 0.352) 2.093 13.260 ( 0.000 2.063 0.352) 2.093 14.881 ( 0.000 -2.269 -2.169) 3.139 14.881 ( 0.000 2.269 -2.169) 3.139 15.212 ( 0.000 -0.333 -1.760) 1.791 15.212 ( 0.000 0.333 -1.760) 1.791 15.791 ( 0.000 -4.224 1.396) 4.449 15.791 ( 0.000 4.224 1.396) 4.449 16.415 ( 0.000 -3.620 1.055) 3.771 16.415 ( 0.000 3.620 1.055) 3.771 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.766 -3.830 -2.114) 4.441 2.072 ( 0.766 3.830 -2.114) 4.441 2.227 ( -3.118 -4.465 -1.307) 5.600 2.227 ( -3.118 4.465 -1.307) 5.600 2.710 ( -2.896 -2.648 -1.285) 4.129 2.710 ( -2.896 2.648 -1.285) 4.129 2.869 ( -2.669 -2.809 3.406) 5.159 2.869 ( -2.669 2.809 3.406) 5.159 2.966 ( 4.284 -7.415 4.900) 9.866 2.966 ( 4.284 7.415 4.900) 9.866 3.022 ( -0.734 -4.902 1.232) 5.108 3.022 ( -0.734 4.903 1.232) 5.108 3.337 ( 2.172 -6.282 -2.157) 6.988 3.337 ( 2.172 6.282 -2.157) 6.988 3.527 ( 6.050 -5.700 -3.221) 8.915 3.527 ( 6.050 5.701 -3.221) 8.915 3.642 ( -2.134 -1.783 1.244) 3.046 3.642 ( -2.134 1.783 1.244) 3.046 3.847 ( -0.883 -4.957 -2.229) 5.506 3.847 ( -0.883 4.957 -2.229) 5.506 4.330 ( -3.194 -1.350 -3.067) 4.629 4.330 ( -3.194 1.350 -3.067) 4.629 4.485 ( -4.356 -1.371 -1.278) 4.742 4.485 ( -4.356 1.371 -1.278) 4.742 4.681 ( 4.431 -2.507 0.203) 5.095 4.681 ( 4.431 2.507 0.203) 5.095 4.821 ( 1.885 -4.194 2.182) 5.090 4.821 ( 1.885 4.194 2.182) 5.090 4.979 ( 3.632 -0.879 1.893) 4.189 4.979 ( 3.632 0.879 1.893) 4.189 5.342 ( -7.564 -1.837 2.141) 8.073 5.342 ( -7.564 1.837 2.141) 8.073 5.670 ( 5.499 -2.382 -0.262) 5.999 5.670 ( 5.499 2.382 -0.262) 5.999 5.736 ( 1.256 -2.930 0.508) 3.228 5.736 ( 1.256 2.930 0.508) 3.228 6.436 ( 0.880 -1.135 -0.680) 1.589 6.436 ( 0.880 1.135 -0.680) 1.589 6.494 ( 1.131 -1.003 -3.294) 3.624 6.494 ( 1.131 1.003 -3.294) 3.624 6.863 ( 3.798 -3.116 4.223) 6.478 6.863 ( 3.798 3.116 4.223) 6.478 6.998 ( 1.108 -4.821 -1.850) 5.281 6.998 ( 1.108 4.821 -1.850) 5.281 7.712 ( 3.243 -2.933 -1.678) 4.684 7.712 ( 3.243 2.933 -1.678) 4.684 7.892 ( 0.192 -5.822 0.918) 5.897 7.892 ( 0.192 5.822 0.918) 5.897 8.172 ( 0.816 -6.375 -2.320) 6.832 8.172 ( 0.816 6.375 -2.320) 6.832 8.198 ( 0.461 -3.727 -0.627) 3.808 8.198 ( 0.461 3.727 -0.627) 3.808 8.879 ( -8.014 -5.970 3.571) 10.612 8.879 ( -8.014 5.971 3.571) 10.612 8.944 ( -6.623 -9.796 6.175) 13.340 8.944 ( -6.623 9.796 6.175) 13.340 9.484 ( 7.887 -9.693 -6.816) 14.234 9.484 ( 7.887 9.693 -6.816) 14.234 9.745 ( 1.652 -12.879 -6.901) 14.704 9.745 ( 1.652 12.879 -6.901) 14.704 10.080 ( 3.017 -0.613 4.011) 5.057 10.080 ( 3.017 0.614 4.011) 5.057 10.490 ( -6.845 -8.511 4.037) 11.644 10.490 ( -6.845 8.511 4.037) 11.644 10.677 ( 0.149 -0.842 1.440) 1.675 10.677 ( 0.149 0.842 1.440) 1.675 10.818 ( -4.874 -5.074 0.907) 7.094 10.818 ( -4.874 5.074 0.907) 7.094 11.738 ( 1.577 -3.712 -0.685) 4.091 11.738 ( 1.577 3.712 -0.685) 4.091 11.878 ( -1.997 -3.788 -0.905) 4.377 11.878 ( -1.997 3.788 -0.905) 4.377 12.178 ( 10.200 -2.314 0.197) 10.461 12.178 ( 10.200 2.314 0.197) 10.461 13.115 ( -13.323 -3.772 0.548) 13.857 13.115 ( -13.323 3.772 0.548) 13.857 14.912 ( 3.027 -2.365 -2.366) 4.512 14.912 ( 3.027 2.365 -2.366) 4.512 15.179 ( -3.165 -1.624 -1.982) 4.072 15.179 ( -3.165 1.624 -1.982) 4.072 15.890 ( 8.929 -4.211 1.380) 9.968 15.890 ( 8.929 4.211 1.380) 9.968 16.382 ( -3.392 -3.631 1.200) 5.112 16.382 ( -3.392 3.631 1.200) 5.112 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 2.247 -4.870 -0.181) 5.366 2.103 ( 2.247 4.870 -0.181) 5.366 2.159 ( -3.308 -5.693 -0.317) 6.592 2.159 ( -3.308 5.693 -0.317) 6.592 2.687 ( 1.237 -1.397 -2.344) 2.996 2.687 ( 1.237 1.398 -2.344) 2.996 2.765 ( -5.922 -1.524 0.451) 6.132 2.765 ( -5.922 1.524 0.451) 6.132 3.019 ( 2.675 -1.533 2.056) 3.705 3.019 ( 2.675 1.533 2.056) 3.705 3.056 ( 0.238 -3.688 3.969) 5.423 3.056 ( 0.238 3.688 3.969) 5.423 3.408 ( 5.975 -4.683 1.859) 7.816 3.408 ( 5.975 4.683 1.859) 7.816 3.548 ( -6.447 -3.841 2.167) 7.812 3.548 ( -6.447 3.841 2.167) 7.812 3.688 ( 7.772 -11.069 -5.168) 14.478 3.688 ( 7.772 11.069 -5.168) 14.478 3.807 ( -3.723 -11.698 -4.543) 13.090 3.807 ( -3.723 11.698 -4.543) 13.090 4.302 ( 1.309 -1.649 -2.509) 3.275 4.302 ( 1.309 1.649 -2.509) 3.275 4.380 ( -5.547 -1.710 -1.565) 6.012 4.380 ( -5.547 1.710 -1.565) 6.012 4.771 ( 4.109 -3.411 1.176) 5.469 4.771 ( 4.109 3.411 1.176) 5.469 4.829 ( -1.344 -4.314 1.474) 4.753 4.829 ( -1.344 4.315 1.474) 4.753 5.079 ( 5.847 -1.616 2.049) 6.403 5.079 ( 5.847 1.616 2.049) 6.403 5.201 ( -6.436 -1.856 1.865) 6.953 5.201 ( -6.436 1.856 1.865) 6.953 5.748 ( 2.156 -2.128 0.176) 3.034 5.748 ( 2.156 2.128 0.176) 3.034 5.760 ( 0.720 -2.454 0.278) 2.573 5.760 ( 0.720 2.454 0.278) 2.573 6.464 ( 1.865 -1.044 -0.917) 2.325 6.464 ( 1.865 1.044 -0.917) 2.325 6.498 ( -1.061 -0.174 -1.616) 1.941 6.498 ( -1.061 0.174 -1.616) 1.941 6.948 ( 4.280 -3.455 1.266) 5.644 6.948 ( 4.280 3.455 1.266) 5.644 7.007 ( -1.078 -4.751 -0.089) 4.872 7.007 ( -1.078 4.751 -0.089) 4.872 7.801 ( 5.171 -0.350 -0.504) 5.207 7.801 ( 5.171 0.350 -0.504) 5.207 7.882 ( -2.070 -3.501 1.593) 4.368 7.882 ( -2.070 3.501 1.593) 4.368 8.183 ( 1.216 -5.525 -1.316) 5.808 8.183 ( 1.216 5.525 -1.316) 5.808 8.210 ( -0.400 -8.897 -2.114) 9.154 8.210 ( -0.400 8.897 -2.114) 9.154 8.757 ( -2.501 -8.287 2.857) 9.116 8.757 ( -2.501 8.287 2.857) 9.116 8.801 ( -6.145 -9.711 3.715) 12.077 8.801 ( -6.145 9.711 3.715) 12.077 9.647 ( 7.507 -5.992 -7.033) 11.905 9.647 ( 7.507 5.992 -7.033) 11.905 9.749 ( -2.175 -10.057 -6.637) 12.244 9.749 ( -2.174 10.057 -6.637) 12.244 10.167 ( 5.846 -4.435 4.100) 8.406 10.167 ( 5.846 4.435 4.100) 8.406 10.319 ( -9.074 -9.339 3.709) 13.539 10.319 ( -9.074 9.339 3.709) 13.539 10.686 ( 1.046 -1.762 1.951) 2.830 10.686 ( 1.046 1.763 1.951) 2.830 10.729 ( -3.416 -3.348 1.935) 5.160 10.729 ( -3.416 3.349 1.935) 5.161 11.778 ( 2.399 -3.335 -0.511) 4.140 11.778 ( 2.399 3.335 -0.511) 4.140 11.830 ( -2.664 -3.256 -0.685) 4.263 11.830 ( -2.664 3.256 -0.685) 4.263 12.445 ( 15.895 -4.375 0.601) 16.498 12.445 ( 15.895 4.376 0.601) 16.498 12.789 ( -17.854 -5.020 0.781) 18.563 12.789 ( -17.854 5.020 0.781) 18.563 14.994 ( 4.880 -2.308 -2.618) 5.999 14.994 ( 4.880 2.308 -2.618) 5.999 15.095 ( -4.932 -2.084 -2.455) 5.890 15.095 ( -4.932 2.084 -2.455) 5.890 16.095 ( 10.391 -3.985 1.439) 11.222 16.095 ( 10.391 3.985 1.439) 11.222 16.276 ( -7.306 -3.729 1.414) 8.323 16.276 ( -7.306 3.729 1.414) 8.323 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 0.000 -23.656) 23.656 1.075 ( 0.000 0.000 23.656) 23.656 1.145 ( 0.000 0.000 -23.968) 23.968 1.145 ( 0.000 0.000 23.968) 23.968 1.951 ( 0.000 0.000 -23.425) 23.425 1.951 ( 0.000 0.000 23.425) 23.425 2.066 ( 0.000 0.000 -4.185) 4.185 2.066 ( 0.000 0.000 4.185) 4.185 2.205 ( 0.000 0.000 -3.067) 3.067 2.205 ( 0.000 0.000 3.067) 3.067 2.314 ( 0.000 0.000 -0.843) 0.843 2.314 ( 0.000 0.000 0.843) 0.843 2.373 ( 0.000 0.000 -4.514) 4.514 2.373 ( 0.000 0.000 4.514) 4.514 2.481 ( 0.000 0.000 -6.658) 6.658 2.481 ( 0.000 0.000 6.658) 6.658 2.715 ( 0.000 0.000 -5.744) 5.744 2.715 ( 0.000 0.000 5.744) 5.744 2.719 ( 0.000 0.000 -6.735) 6.735 2.719 ( 0.000 0.000 6.735) 6.735 3.299 ( 0.000 0.000 -5.377) 5.377 3.299 ( 0.000 0.000 5.377) 5.377 3.717 ( 0.000 0.000 -12.413) 12.413 3.717 ( 0.000 0.000 12.413) 12.413 3.865 ( 0.000 0.000 -2.339) 2.339 3.865 ( 0.000 0.000 2.339) 2.339 4.312 ( 0.000 0.000 -19.690) 19.690 4.312 ( 0.000 0.000 19.690) 19.690 4.624 ( 0.000 0.000 -10.162) 10.162 4.624 ( 0.000 0.000 10.162) 10.162 4.892 ( 0.000 0.000 -8.082) 8.082 4.892 ( 0.000 0.000 8.082) 8.082 5.229 ( 0.000 0.000 -5.771) 5.771 5.229 ( 0.000 0.000 5.771) 5.771 5.418 ( 0.000 0.000 -3.085) 3.085 5.418 ( 0.000 0.000 3.085) 3.085 5.797 ( 0.000 0.000 -2.620) 2.620 5.797 ( 0.000 0.000 2.620) 2.620 6.045 ( 0.000 0.000 -2.029) 2.029 6.045 ( 0.000 0.000 2.029) 2.029 6.335 ( 0.000 0.000 -7.978) 7.978 6.335 ( 0.000 0.000 7.978) 7.978 6.627 ( 0.000 0.000 -1.179) 1.179 6.627 ( 0.000 0.000 1.179) 1.179 6.862 ( 0.000 0.000 -3.680) 3.680 6.862 ( 0.000 0.000 3.680) 3.680 7.294 ( 0.000 0.000 -5.213) 5.213 7.294 ( 0.000 0.000 5.213) 5.213 7.382 ( 0.000 0.000 -1.457) 1.457 7.382 ( 0.000 0.000 1.457) 1.457 8.154 ( 0.000 0.000 -0.100) 0.100 8.154 ( 0.000 0.000 0.100) 0.100 8.285 ( 0.000 0.000 -11.371) 11.371 8.285 ( 0.000 0.000 11.371) 11.371 8.986 ( 0.000 0.000 -2.991) 2.991 8.986 ( 0.000 0.000 2.991) 2.991 9.224 ( 0.000 0.000 -12.642) 12.642 9.224 ( 0.000 0.000 12.642) 12.642 9.545 ( 0.000 0.000 -8.508) 8.508 9.545 ( 0.000 0.000 8.508) 8.508 9.816 ( 0.000 0.000 -1.221) 1.221 9.816 ( 0.000 0.000 1.221) 1.221 10.841 ( 0.000 0.000 -11.582) 11.582 10.841 ( 0.000 0.000 11.582) 11.582 11.726 ( 0.000 0.000 -3.975) 3.975 11.726 ( 0.000 0.000 3.975) 3.975 12.175 ( 0.000 0.000 -10.477) 10.477 12.175 ( 0.000 0.000 10.477) 10.477 12.764 ( 0.000 0.000 -11.581) 11.581 12.764 ( 0.000 0.000 11.581) 11.581 12.877 ( 0.000 0.000 -1.477) 1.477 12.877 ( 0.000 0.000 1.477) 1.477 13.319 ( 0.000 0.000 -0.024) 0.024 13.319 ( 0.000 0.000 0.024) 0.024 13.344 ( 0.000 0.000 -0.044) 0.044 13.344 ( 0.000 0.000 0.044) 0.044 14.237 ( 0.000 0.000 -5.803) 5.803 14.237 ( 0.000 0.000 5.803) 5.803 15.643 ( 0.000 0.000 -3.921) 3.921 15.643 ( 0.000 0.000 3.921) 3.921 16.602 ( 0.000 0.000 -7.527) 7.527 16.602 ( 0.000 0.000 7.527) 7.527 17.215 ( 0.000 0.000 -4.569) 4.569 17.215 ( 0.000 0.000 4.569) 4.569 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 4.920 0.000 -22.211) 22.750 1.065 ( 4.920 0.000 22.211) 22.750 1.252 ( 10.035 0.000 -21.026) 23.297 1.252 ( 10.035 0.000 21.026) 23.297 2.025 ( 3.257 0.000 -9.041) 9.610 2.025 ( 3.257 0.000 9.041) 9.610 2.025 ( -5.307 0.000 -3.306) 6.253 2.025 ( -5.307 0.000 3.306) 6.253 2.218 ( -2.902 0.000 -20.559) 20.762 2.218 ( -2.902 0.000 20.559) 20.762 2.256 ( -5.389 0.000 -1.811) 5.685 2.256 ( -5.389 0.000 1.811) 5.685 2.398 ( -3.344 0.000 -4.224) 5.388 2.398 ( -3.344 0.000 4.224) 5.388 2.545 ( 15.214 0.000 -2.846) 15.478 2.545 ( 15.214 0.000 2.846) 15.478 2.758 ( 9.260 0.000 -7.301) 11.792 2.758 ( 9.260 0.000 7.301) 11.792 2.842 ( 8.188 0.000 -4.376) 9.284 2.842 ( 8.188 0.000 4.376) 9.284 3.280 ( -1.805 0.000 -4.948) 5.267 3.280 ( -1.805 0.000 4.948) 5.267 3.576 ( -13.648 0.000 -13.937) 19.506 3.576 ( -13.648 0.000 13.937) 19.506 3.820 ( -1.853 0.000 -11.079) 11.233 3.820 ( -1.853 0.000 11.079) 11.233 4.107 ( -14.619 0.000 -14.289) 20.443 4.107 ( -14.619 0.000 14.289) 20.443 4.739 ( 1.369 0.000 -7.602) 7.724 4.739 ( 1.369 0.000 7.602) 7.724 4.872 ( 0.098 0.000 -9.227) 9.228 4.872 ( 0.098 0.000 9.227) 9.228 5.232 ( 2.799 0.000 -2.912) 4.039 5.232 ( 2.799 0.000 2.912) 4.039 5.379 ( -3.263 0.000 -8.375) 8.988 5.379 ( -3.263 0.000 8.375) 8.988 5.838 ( 2.042 0.000 -5.602) 5.963 5.838 ( 2.042 0.000 5.602) 5.963 6.051 ( 0.570 0.000 -1.630) 1.727 6.051 ( 0.570 0.000 1.630) 1.727 6.369 ( 2.882 0.000 -8.465) 8.942 6.369 ( 2.882 0.000 8.465) 8.942 6.617 ( -0.849 0.000 -0.968) 1.287 6.617 ( -0.849 0.000 0.968) 1.287 6.972 ( 7.733 0.000 -3.382) 8.441 6.972 ( 7.733 0.000 3.382) 8.441 7.385 ( 0.235 0.000 -1.182) 1.205 7.385 ( 0.235 0.000 1.182) 1.205 7.420 ( 10.890 0.000 -11.227) 15.641 7.420 ( 10.890 0.000 11.227) 15.641 8.167 ( 1.152 0.000 -0.196) 1.169 8.167 ( 1.152 0.000 0.196) 1.169 8.321 ( 4.981 0.000 -10.580) 11.694 8.321 ( 4.981 0.000 10.580) 11.694 8.973 ( -1.142 0.000 -2.480) 2.730 8.973 ( -1.142 0.000 2.480) 2.730 9.170 ( -4.968 0.000 -8.249) 9.629 9.170 ( -4.968 0.000 8.249) 9.629 9.423 ( -11.553 0.000 -9.455) 14.929 9.423 ( -11.553 0.000 9.455) 14.929 9.819 ( 0.217 0.000 -0.987) 1.011 9.819 ( 0.217 0.000 0.987) 1.011 10.888 ( 4.482 0.000 -12.110) 12.913 10.888 ( 4.482 0.000 12.110) 12.913 11.740 ( 0.486 0.000 -2.908) 2.948 11.740 ( 0.486 0.000 2.908) 2.948 11.981 ( -15.346 0.000 -9.271) 17.928 11.981 ( -15.346 0.000 9.271) 17.928 12.771 ( 0.384 0.000 -8.817) 8.825 12.771 ( 0.384 0.000 8.817) 8.825 12.833 ( -1.338 0.000 -4.649) 4.838 12.833 ( -1.338 0.000 4.649) 4.838 13.320 ( 0.139 0.000 -0.035) 0.143 13.320 ( 0.139 0.000 0.035) 0.143 13.343 ( -0.128 0.000 -0.049) 0.137 13.343 ( -0.128 0.000 0.049) 0.137 14.460 ( 16.076 0.000 -4.021) 16.571 14.460 ( 16.076 0.000 4.021) 16.571 15.690 ( 4.142 0.000 -4.595) 6.186 15.690 ( 4.142 0.000 4.595) 6.186 16.595 ( -0.830 0.000 -8.315) 8.356 16.595 ( -0.830 0.000 8.315) 8.356 17.089 ( -10.129 0.000 -2.754) 10.497 17.089 ( -10.129 0.000 2.754) 10.497 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 20.450 0.000 -16.847) 26.495 1.346 ( 20.450 0.000 16.847) 26.495 1.511 ( 15.018 0.000 -15.195) 21.364 1.511 ( 15.018 0.000 15.195) 21.364 1.801 ( -20.541 0.000 -14.252) 25.002 1.801 ( -20.541 0.000 14.252) 25.002 1.816 ( -14.356 0.000 -9.364) 17.140 1.816 ( -14.356 0.000 9.364) 17.140 2.188 ( -1.132 0.000 -0.745) 1.355 2.188 ( -1.132 0.000 0.745) 1.355 2.314 ( 8.654 0.000 -20.549) 22.297 2.314 ( 8.654 0.000 20.549) 22.297 2.366 ( -0.592 0.000 -1.329) 1.455 2.366 ( -0.592 0.000 1.329) 1.455 2.805 ( 5.149 0.000 -7.010) 8.697 2.805 ( 5.149 0.000 7.010) 8.697 2.976 ( 4.261 0.000 -2.325) 4.854 2.976 ( 4.261 0.000 2.325) 4.854 3.034 ( 13.327 0.000 -10.372) 16.887 3.034 ( 13.327 0.000 10.372) 16.887 3.237 ( -1.869 0.000 -2.718) 3.298 3.237 ( -1.869 0.000 2.718) 3.298 3.328 ( -6.509 0.000 -8.523) 10.724 3.328 ( -6.509 0.000 8.523) 10.724 3.774 ( -3.218 0.000 -10.484) 10.967 3.774 ( -3.218 0.000 10.484) 10.967 3.834 ( -9.997 0.000 -7.397) 12.436 3.834 ( -9.997 0.000 7.397) 12.436 4.625 ( -6.538 0.000 -0.972) 6.610 4.625 ( -6.538 0.000 0.972) 6.610 4.896 ( 0.471 0.000 -1.932) 1.988 4.896 ( 0.471 0.000 1.932) 1.988 5.303 ( 1.738 0.000 -0.302) 1.764 5.303 ( 1.738 0.000 0.302) 1.764 5.390 ( 3.743 0.000 -2.338) 4.413 5.390 ( 3.743 0.000 2.338) 4.413 5.827 ( -1.952 0.000 -2.758) 3.379 5.827 ( -1.952 0.000 2.758) 3.379 6.062 ( 0.370 0.000 -0.615) 0.718 6.062 ( 0.370 0.000 0.615) 0.718 6.421 ( 1.542 0.000 -3.947) 4.238 6.421 ( 1.542 0.000 3.947) 4.238 6.601 ( -0.537 0.000 -0.379) 0.657 6.601 ( -0.537 0.000 0.379) 0.657 7.082 ( 2.799 0.000 -2.206) 3.564 7.082 ( 2.799 0.000 2.206) 3.564 7.389 ( 0.141 0.000 -0.453) 0.474 7.389 ( 0.141 0.000 0.453) 0.474 7.605 ( 5.302 0.000 -5.563) 7.685 7.605 ( 5.302 0.000 5.563) 7.685 8.189 ( 0.747 0.000 -0.128) 0.758 8.189 ( 0.747 0.000 0.128) 0.758 8.534 ( 15.571 0.000 -5.029) 16.363 8.534 ( 15.571 0.000 5.029) 16.363 8.951 ( -0.737 0.000 -0.989) 1.233 8.951 ( -0.737 0.000 0.989) 1.233 8.970 ( -16.426 0.000 -3.617) 16.819 8.970 ( -16.426 0.000 3.617) 16.819 9.215 ( -4.745 0.000 -5.219) 7.054 9.215 ( -4.745 0.000 5.219) 7.054 9.823 ( 0.131 0.000 -0.377) 0.399 9.823 ( 0.131 0.000 0.377) 0.399 10.999 ( 5.116 0.000 -8.221) 9.683 10.999 ( 5.116 0.000 8.221) 9.683 11.617 ( -9.376 0.000 -6.359) 11.329 11.617 ( -9.376 0.000 6.359) 11.329 11.833 ( 0.062 0.000 -0.807) 0.809 11.833 ( 0.062 0.000 0.807) 0.809 12.780 ( 0.436 0.000 -2.863) 2.896 12.780 ( 0.436 0.000 2.863) 2.896 12.833 ( 0.375 0.000 -3.059) 3.082 12.833 ( 0.375 0.000 3.059) 3.082 13.323 ( 0.114 0.000 -0.026) 0.117 13.323 ( 0.114 0.000 0.026) 0.117 13.340 ( -0.107 0.000 -0.031) 0.112 13.340 ( -0.107 0.000 0.031) 0.112 14.705 ( 6.797 0.000 -2.261) 7.164 14.705 ( 6.797 0.000 2.261) 7.164 15.770 ( 2.778 0.000 -2.794) 3.940 15.770 ( 2.778 0.000 2.794) 3.940 16.565 ( -1.646 0.000 -5.104) 5.362 16.565 ( -1.646 0.000 5.104) 5.362 16.922 ( -4.709 0.000 -2.351) 5.264 16.922 ( -4.709 0.000 2.351) 5.264 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 10.217 -20.413) 22.827 1.178 ( 0.000 10.217 20.413) 22.827 1.244 ( 0.000 8.641 -22.347) 23.959 1.244 ( 0.000 8.641 22.347) 23.959 2.062 ( 0.000 5.980 -5.781) 8.317 2.062 ( 0.000 5.980 5.781) 8.317 2.217 ( 0.000 9.538 -17.085) 19.567 2.217 ( 0.000 9.538 17.085) 19.567 2.277 ( 0.000 16.390 -1.406) 16.451 2.277 ( 0.000 16.390 1.406) 16.451 2.331 ( 0.000 2.650 -5.450) 6.060 2.331 ( 0.000 2.650 5.450) 6.060 2.526 ( 0.000 14.996 -1.425) 15.064 2.526 ( 0.000 14.996 1.425) 15.064 2.651 ( 0.000 -2.014 -4.056) 4.529 2.651 ( 0.000 -2.014 4.056) 4.529 2.711 ( 0.000 20.064 -3.002) 20.288 2.711 ( 0.000 20.064 3.002) 20.288 2.905 ( 0.000 13.977 -3.448) 14.396 2.905 ( 0.000 13.977 3.448) 14.396 3.459 ( 0.000 14.882 -5.812) 15.977 3.459 ( 0.000 14.882 5.812) 15.977 3.712 ( 0.000 -0.180 -11.908) 11.909 3.712 ( 0.000 -0.180 11.908) 11.909 3.870 ( 0.000 2.254 -1.344) 2.625 3.870 ( 0.000 2.254 1.344) 2.625 4.276 ( 0.000 -2.969 -19.619) 19.842 4.276 ( 0.000 -2.969 19.619) 19.842 4.610 ( 0.000 -1.187 -9.803) 9.874 4.610 ( 0.000 -1.187 9.803) 9.874 4.826 ( 0.000 -4.946 -3.399) 6.002 4.826 ( 0.000 -4.946 3.399) 6.002 5.173 ( 0.000 -3.131 -6.896) 7.574 5.173 ( 0.000 -3.131 6.896) 7.574 5.425 ( 0.000 1.038 -4.020) 4.152 5.425 ( 0.000 1.038 4.020) 4.152 5.716 ( 0.000 -5.216 -2.224) 5.670 5.716 ( 0.000 -5.216 2.224) 5.670 6.047 ( 0.000 -10.109 -7.896) 12.827 6.047 ( 0.000 -10.109 7.896) 12.827 6.468 ( 0.000 19.732 -4.021) 20.138 6.468 ( 0.000 19.732 4.021) 20.138 6.756 ( 0.000 2.250 -7.520) 7.850 6.756 ( 0.000 2.250 7.520) 7.850 7.032 ( 0.000 19.790 -2.168) 19.909 7.032 ( 0.000 19.790 2.168) 19.909 7.311 ( 0.000 3.552 -4.026) 5.369 7.311 ( 0.000 3.552 4.026) 5.369 7.445 ( 0.000 6.289 -0.346) 6.299 7.445 ( 0.000 6.289 0.346) 6.299 8.218 ( 0.000 1.609 -4.328) 4.617 8.218 ( 0.000 1.609 4.328) 4.617 8.297 ( 0.000 5.128 -7.390) 8.995 8.297 ( 0.000 5.128 7.390) 8.995 8.897 ( 0.000 -7.103 -11.006) 13.099 8.897 ( 0.000 -7.103 11.006) 13.099 9.303 ( 0.000 5.821 -4.329) 7.255 9.303 ( 0.000 5.821 4.329) 7.255 9.452 ( 0.000 -6.153 -3.359) 7.010 9.452 ( 0.000 -6.153 3.359) 7.010 9.876 ( 0.000 3.418 -0.574) 3.465 9.876 ( 0.000 3.418 0.574) 3.465 10.843 ( 0.000 -0.107 -12.022) 12.023 10.843 ( 0.000 -0.107 12.022) 12.023 11.799 ( 0.000 5.924 -0.884) 5.990 11.799 ( 0.000 5.924 0.884) 5.990 12.049 ( 0.000 -15.324 -11.926) 19.418 12.049 ( 0.000 -15.324 11.926) 19.418 12.581 ( 0.000 -14.872 -4.670) 15.588 12.581 ( 0.000 -14.872 4.670) 15.588 12.762 ( 0.000 -6.311 -0.840) 6.367 12.762 ( 0.000 -6.311 0.840) 6.367 13.089 ( 0.000 -12.643 -10.216) 16.255 13.089 ( 0.000 -12.643 10.216) 16.255 13.209 ( 0.000 -10.427 -2.816) 10.800 13.209 ( 0.000 -10.427 2.816) 10.800 14.734 ( 0.000 31.339 -3.620) 31.548 14.734 ( 0.000 31.339 3.620) 31.548 15.729 ( 0.000 7.558 -5.907) 9.592 15.729 ( 0.000 7.558 5.907) 9.592 16.517 ( 0.000 -8.333 -6.822) 10.770 16.517 ( 0.000 -8.333 6.822) 10.770 17.059 ( 0.000 -14.388 -2.162) 14.549 17.059 ( 0.000 -14.388 2.162) 14.549 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 1.063 7.021 -19.525) 20.776 1.122 ( 1.063 7.021 19.525) 20.776 1.350 ( 9.570 8.036 -20.188) 23.742 1.350 ( 9.570 8.036 20.188) 23.742 2.001 ( -7.796 1.666 -6.427) 10.240 2.001 ( -7.796 1.666 6.427) 10.240 2.216 ( -5.082 9.887 -3.681) 11.710 2.216 ( -5.082 9.887 3.681) 11.710 2.321 ( 5.971 15.284 -14.310) 21.772 2.321 ( 5.971 15.284 14.310) 21.772 2.406 ( -4.833 12.255 -3.758) 13.699 2.406 ( -4.833 12.255 3.758) 13.699 2.525 ( 5.415 4.176 -2.391) 7.244 2.525 ( 5.415 4.176 2.391) 7.244 2.612 ( 4.254 12.093 -5.929) 14.124 2.612 ( 4.254 12.093 5.929) 14.124 2.810 ( 11.865 9.293 -6.760) 16.518 2.810 ( 11.865 9.293 6.760) 16.518 3.010 ( 7.066 14.754 -4.605) 16.994 3.010 ( 7.066 14.754 4.605) 16.994 3.423 ( -4.062 12.016 -6.261) 14.145 3.423 ( -4.062 12.016 6.261) 14.145 3.609 ( -9.306 4.671 -11.609) 15.594 3.609 ( -9.306 4.671 11.609) 15.594 3.824 ( -2.771 2.123 -9.990) 10.582 3.824 ( -2.771 2.123 9.990) 10.582 4.087 ( -13.659 -1.524 -13.765) 19.452 4.087 ( -13.659 -1.524 13.765) 19.452 4.711 ( 1.346 -2.965 -7.568) 8.239 4.711 ( 1.346 -2.965 7.568) 8.239 4.820 ( 0.659 -3.388 -6.790) 7.617 4.820 ( 0.659 -3.388 6.790) 7.617 5.196 ( 3.490 -3.080 -4.641) 6.573 5.196 ( 3.490 -3.080 4.641) 6.573 5.368 ( -3.492 0.589 -5.974) 6.945 5.368 ( -3.492 0.589 5.974) 6.945 5.737 ( 0.860 -7.240 -4.306) 8.467 5.737 ( 0.860 -7.240 4.306) 8.467 6.135 ( 7.045 -6.300 -7.358) 11.977 6.135 ( 7.045 -6.300 7.358) 11.977 6.468 ( -0.687 21.561 -3.322) 21.826 6.468 ( -0.687 21.561 3.322) 21.826 6.771 ( 0.942 5.354 -2.049) 5.809 6.771 ( 0.942 5.354 2.049) 5.809 7.085 ( 4.316 12.886 -3.166) 13.954 7.085 ( 4.316 12.886 3.166) 13.954 7.349 ( 3.166 1.539 -6.262) 7.184 7.349 ( 3.166 1.539 6.262) 7.184 7.506 ( 5.191 6.002 -4.980) 9.369 7.506 ( 5.191 6.002 4.980) 9.369 8.216 ( 0.070 1.198 -2.826) 3.070 8.216 ( 0.070 1.198 2.826) 3.070 8.331 ( 4.787 3.970 -7.671) 9.875 8.331 ( 4.787 3.970 7.671) 9.875 8.903 ( 0.362 -5.145 -7.971) 9.494 8.903 ( 0.362 -5.145 7.971) 9.494 9.238 ( -5.635 4.695 -2.533) 7.759 9.238 ( -5.635 4.695 2.533) 7.759 9.374 ( -8.471 -3.262 -6.161) 10.970 9.374 ( -8.471 -3.262 6.161) 10.970 9.842 ( -2.267 1.391 -1.598) 3.103 9.842 ( -2.267 1.391 1.598) 3.103 10.898 ( 5.050 0.511 -12.033) 13.060 10.898 ( 5.050 0.511 12.033) 13.060 11.772 ( -3.427 0.714 -1.825) 3.948 11.772 ( -3.427 0.714 1.825) 3.948 11.950 ( -8.189 -2.779 -8.111) 11.856 11.950 ( -8.189 -2.779 8.111) 11.856 12.542 ( -1.796 -19.421 -1.749) 19.582 12.542 ( -1.796 -19.421 1.749) 19.582 12.723 ( -1.175 -7.301 -3.393) 8.136 12.723 ( -1.175 -7.301 3.393) 8.136 13.177 ( 4.408 -11.534 -5.078) 13.351 13.177 ( 4.408 -11.534 5.078) 13.351 13.226 ( 1.933 -8.811 -2.780) 9.439 13.226 ( 1.933 -8.811 2.780) 9.439 14.818 ( 6.884 25.505 -4.232) 26.755 14.818 ( 6.884 25.505 4.232) 26.755 15.773 ( 3.924 7.224 -6.047) 10.206 15.773 ( 3.924 7.224 6.047) 10.206 16.509 ( -1.081 -8.486 -7.742) 11.538 16.509 ( -1.081 -8.486 7.742) 11.538 16.959 ( -8.110 -12.218 -2.178) 14.826 16.959 ( -8.110 -12.218 2.178) 14.826 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 17.721 1.091 -12.675) 21.815 1.331 ( 17.721 1.091 12.675) 21.815 1.591 ( 11.679 5.003 -14.792) 19.500 1.591 ( 11.679 5.003 14.792) 19.500 1.739 ( -15.638 0.006 -6.714) 17.019 1.739 ( -15.638 0.006 6.714) 17.019 1.978 ( -15.311 10.175 -3.990) 18.812 1.978 ( -15.311 10.175 3.990) 18.812 2.331 ( -0.922 14.127 -0.694) 14.174 2.331 ( -0.922 14.127 0.694) 14.174 2.472 ( 6.366 13.269 -6.895) 16.252 2.472 ( 6.366 13.269 6.895) 16.252 2.537 ( 0.545 15.026 -6.570) 16.409 2.537 ( 0.545 15.026 6.570) 16.409 2.843 ( 7.444 4.345 -6.945) 11.069 2.843 ( 7.444 4.345 6.945) 11.069 3.019 ( 3.393 6.603 -6.254) 9.707 3.019 ( 3.393 6.603 6.254) 9.707 3.185 ( 12.102 12.451 -10.031) 20.053 3.185 ( 12.102 12.451 10.031) 20.053 3.317 ( -3.539 6.505 -3.878) 8.359 3.317 ( -3.539 6.505 3.878) 8.359 3.459 ( -4.703 14.792 -5.349) 16.417 3.459 ( -4.703 14.792 5.349) 16.417 3.752 ( -4.388 -0.224 -8.938) 9.959 3.752 ( -4.388 -0.224 8.938) 9.959 3.836 ( -9.164 0.645 -7.259) 11.708 3.836 ( -9.164 0.645 7.259) 11.708 4.614 ( -5.533 -1.034 -1.070) 5.730 4.614 ( -5.533 -1.034 1.070) 5.730 4.849 ( 0.683 -3.732 -1.947) 4.265 4.849 ( 0.683 -3.732 1.947) 4.265 5.278 ( 2.147 -1.981 -2.130) 3.616 5.278 ( 2.147 -1.981 2.130) 3.616 5.371 ( 3.257 -0.351 -1.557) 3.627 5.371 ( 3.257 -0.351 1.557) 3.627 5.717 ( -1.981 -8.403 -2.348) 8.947 5.717 ( -1.981 -8.403 2.348) 8.947 6.268 ( 5.101 -5.529 -3.407) 8.258 6.268 ( 5.101 -5.529 3.407) 8.258 6.430 ( -2.610 25.106 -0.908) 25.257 6.430 ( -2.610 25.106 0.908) 25.257 6.783 ( 0.294 9.711 -0.577) 9.733 6.783 ( 0.294 9.711 0.577) 9.733 7.148 ( 1.439 6.970 -1.437) 7.261 7.148 ( 1.439 6.970 1.437) 7.261 7.421 ( 3.032 4.336 -4.254) 6.789 7.421 ( 3.032 4.336 4.254) 6.789 7.579 ( 1.275 -1.839 -6.643) 7.010 7.579 ( 1.275 -1.839 6.643) 7.010 8.219 ( 0.099 1.316 -0.546) 1.428 8.219 ( 0.099 1.316 0.546) 1.428 8.544 ( 16.022 1.590 -4.510) 16.720 8.544 ( 16.022 1.590 4.510) 16.720 8.854 ( -9.228 -2.839 -3.095) 10.139 8.854 ( -9.228 -2.839 3.095) 10.139 9.094 ( -6.298 5.559 -2.816) 8.860 9.094 ( -6.298 5.559 2.816) 8.860 9.200 ( -4.916 -0.387 -3.913) 6.295 9.200 ( -4.916 -0.387 3.913) 6.295 9.814 ( -0.566 -1.012 -1.033) 1.553 9.814 ( -0.566 -1.012 1.033) 1.553 11.012 ( 4.758 0.431 -7.362) 8.776 11.012 ( 4.758 0.431 7.362) 8.776 11.631 ( -7.384 1.069 -5.527) 9.286 11.631 ( -7.384 1.069 5.527) 9.286 11.859 ( -1.053 1.992 -0.568) 2.324 11.859 ( -1.053 1.992 0.568) 2.324 12.541 ( 0.752 -19.687 -1.187) 19.737 12.541 ( 0.752 -19.687 1.187) 19.737 12.713 ( -0.185 -10.563 -1.842) 10.724 12.713 ( -0.185 -10.563 1.842) 10.724 13.224 ( 1.043 -9.747 -0.937) 9.847 13.224 ( 1.043 -9.747 0.937) 9.847 13.264 ( 0.989 -6.923 -2.019) 7.279 13.264 ( 0.989 -6.923 2.019) 7.279 14.939 ( 3.762 18.786 -1.996) 19.263 14.939 ( 3.762 18.786 1.996) 19.263 15.851 ( 2.800 7.008 -3.374) 8.266 15.851 ( 2.800 7.008 3.374) 8.266 16.470 ( -2.083 -9.278 -4.776) 10.641 16.470 ( -2.083 -9.278 4.776) 10.641 16.826 ( -3.714 -9.305 -1.907) 10.199 16.826 ( -3.714 -9.305 1.907) 10.199 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 10.529 -1.269) 10.605 1.392 ( 0.000 10.529 1.269) 10.605 1.512 ( 0.000 17.945 -0.788) 17.962 1.512 ( 0.000 17.945 0.788) 17.962 2.161 ( 0.000 6.427 -1.176) 6.534 2.161 ( 0.000 6.427 1.176) 6.534 2.298 ( 0.000 -0.204 -5.304) 5.308 2.298 ( 0.000 -0.204 5.304) 5.308 2.501 ( 0.000 7.554 -0.043) 7.554 2.501 ( 0.000 7.554 0.043) 7.554 2.618 ( 0.000 12.090 -1.608) 12.196 2.618 ( 0.000 12.090 1.608) 12.196 2.849 ( 0.000 28.091 -5.891) 28.702 2.849 ( 0.000 28.091 5.891) 28.702 2.880 ( 0.000 16.597 -4.934) 17.315 2.880 ( 0.000 16.597 4.934) 17.315 3.177 ( 0.000 21.367 -2.400) 21.501 3.177 ( 0.000 21.367 2.400) 21.501 3.207 ( 0.000 19.181 -1.327) 19.227 3.207 ( 0.000 19.181 1.327) 19.227 3.740 ( 0.000 4.859 -7.204) 8.690 3.740 ( 0.000 4.859 7.204) 8.690 3.815 ( 0.000 18.625 -9.324) 20.829 3.815 ( 0.000 18.625 9.324) 20.829 4.038 ( 0.000 15.617 -3.534) 16.012 4.038 ( 0.000 15.617 3.534) 16.012 4.222 ( 0.000 -1.826 -16.629) 16.729 4.222 ( 0.000 -1.826 16.629) 16.729 4.586 ( 0.000 -1.079 -6.922) 7.005 4.586 ( 0.000 -1.079 6.922) 7.005 4.737 ( 0.000 -3.561 -0.486) 3.594 4.737 ( 0.000 -3.561 0.486) 3.594 5.121 ( 0.000 -2.384 -6.092) 6.542 5.121 ( 0.000 -2.384 6.092) 6.542 5.471 ( 0.000 3.867 -2.452) 4.579 5.471 ( 0.000 3.867 2.452) 4.579 5.625 ( 0.000 -3.636 -1.188) 3.825 5.625 ( 0.000 -3.636 1.188) 3.825 5.873 ( 0.000 -6.301 -9.486) 11.388 5.873 ( 0.000 -6.301 9.486) 11.388 6.571 ( 0.000 -4.848 -4.598) 6.682 6.571 ( 0.000 -4.848 4.598) 6.682 6.924 ( 0.000 8.135 -5.613) 9.884 6.924 ( 0.000 8.135 5.613) 9.884 7.345 ( 0.000 8.853 -1.767) 9.028 7.345 ( 0.000 8.853 1.767) 9.028 7.508 ( 0.000 16.488 -1.764) 16.582 7.508 ( 0.000 16.488 1.764) 16.582 7.721 ( 0.000 22.104 -1.111) 22.132 7.721 ( 0.000 22.104 1.111) 22.132 8.178 ( 0.000 -2.961 -7.108) 7.700 8.178 ( 0.000 -2.961 7.108) 7.700 8.468 ( 0.000 7.690 -8.235) 11.267 8.468 ( 0.000 7.690 8.235) 11.267 8.757 ( 0.000 -5.852 -14.501) 15.638 8.757 ( 0.000 -5.852 14.501) 15.638 9.347 ( 0.000 -1.063 -4.212) 4.344 9.347 ( 0.000 -1.063 4.212) 4.344 9.447 ( 0.000 6.267 -2.239) 6.655 9.447 ( 0.000 6.267 2.239) 6.655 9.903 ( 0.000 -0.883 -3.605) 3.711 9.903 ( 0.000 -0.883 3.605) 3.711 10.827 ( 0.000 -1.616 -10.379) 10.504 10.827 ( 0.000 -1.616 10.379) 10.504 11.602 ( 0.000 -22.236 -8.390) 23.766 11.602 ( 0.000 -22.236 8.390) 23.766 11.927 ( 0.000 3.646 -0.177) 3.650 11.927 ( 0.000 3.646 0.177) 3.650 12.411 ( 0.000 -5.671 -1.080) 5.773 12.411 ( 0.000 -5.671 1.080) 5.773 12.577 ( 0.000 -13.251 -2.633) 13.510 12.577 ( 0.000 -13.251 2.633) 13.510 12.892 ( 0.000 -8.171 -6.309) 10.323 12.892 ( 0.000 -8.171 6.309) 10.323 12.954 ( 0.000 -12.611 -8.418) 15.163 12.954 ( 0.000 -12.611 8.418) 15.163 15.226 ( 0.000 18.243 -4.533) 18.797 15.226 ( 0.000 18.243 4.533) 18.797 15.870 ( 0.000 4.574 -7.604) 8.873 15.870 ( 0.000 4.574 7.604) 8.873 16.291 ( 0.000 -13.702 -4.863) 14.539 16.291 ( 0.000 -13.702 4.863) 14.539 16.720 ( 0.000 -17.945 -0.347) 17.949 16.720 ( 0.000 -17.945 0.347) 17.949 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -3.053 12.792 -13.217) 18.646 1.331 ( -3.053 12.792 13.217) 18.646 1.554 ( 6.144 13.016 -13.115) 19.472 1.554 ( 6.144 13.016 13.115) 19.472 2.074 ( -9.898 5.817 -1.141) 11.537 2.074 ( -9.898 5.817 1.141) 11.537 2.363 ( -1.053 2.584 -6.337) 6.924 2.363 ( -1.053 2.584 6.337) 6.924 2.526 ( 4.428 5.282 -2.810) 7.443 2.526 ( 4.428 5.282 2.810) 7.443 2.637 ( 3.484 12.932 -2.652) 13.653 2.637 ( 3.484 12.932 2.652) 13.653 2.800 ( -3.712 17.573 -3.218) 18.247 2.800 ( -3.712 17.573 3.218) 18.247 2.922 ( 5.638 21.687 -2.858) 22.589 2.922 ( 5.638 21.687 2.858) 22.589 3.197 ( 6.788 25.429 -8.645) 27.703 3.197 ( 6.788 25.429 8.645) 27.703 3.324 ( 4.327 14.520 -1.614) 15.237 3.324 ( 4.327 14.520 1.614) 15.237 3.627 ( -8.184 9.756 -5.325) 13.802 3.627 ( -8.184 9.756 5.325) 13.802 3.819 ( -0.368 15.191 -8.314) 17.322 3.819 ( -0.368 15.191 8.314) 17.322 4.018 ( -4.302 16.292 -7.319) 18.371 4.018 ( -4.302 16.292 7.319) 18.371 4.075 ( -8.647 3.447 -7.751) 12.113 4.075 ( -8.647 3.447 7.751) 12.113 4.631 ( 0.625 -4.635 -6.119) 7.701 4.631 ( 0.625 -4.635 6.119) 7.701 4.775 ( 1.376 -1.200 -4.181) 4.562 4.775 ( 1.376 -1.200 4.181) 4.562 5.123 ( 2.499 -3.786 -5.242) 6.933 5.123 ( 2.499 -3.786 5.242) 6.933 5.419 ( -2.394 4.554 -2.416) 5.685 5.419 ( -2.394 4.554 2.416) 5.685 5.630 ( -0.681 -2.705 -3.062) 4.142 5.630 ( -0.681 -2.705 3.062) 4.142 5.974 ( 7.507 -8.352 -6.696) 13.075 5.974 ( 7.507 -8.352 6.696) 13.075 6.681 ( 9.290 -2.272 -2.029) 9.777 6.681 ( 9.290 -2.272 2.029) 9.777 6.954 ( 2.720 11.831 -3.341) 12.591 6.954 ( 2.720 11.831 3.341) 12.591 7.287 ( -3.571 7.485 -4.319) 9.351 7.287 ( -3.571 7.485 4.319) 9.351 7.536 ( 0.419 12.827 -2.760) 13.127 7.536 ( 0.419 12.827 2.760) 13.127 7.729 ( -0.084 18.637 -2.158) 18.762 7.729 ( -0.084 18.637 2.158) 18.762 8.167 ( 0.348 -3.642 -3.718) 5.216 8.167 ( 0.348 -3.642 3.718) 5.216 8.478 ( 1.920 7.359 -7.650) 10.788 8.478 ( 1.920 7.359 7.650) 10.788 8.807 ( 3.902 -4.236 -11.806) 13.136 8.807 ( 3.902 -4.236 11.806) 13.136 9.296 ( -4.693 1.689 -2.807) 5.723 9.296 ( -4.693 1.689 2.807) 5.723 9.386 ( -6.033 5.285 -3.744) 8.852 9.386 ( -6.033 5.285 3.744) 8.852 9.848 ( -4.244 -0.974 -3.661) 5.689 9.848 ( -4.244 -0.974 3.661) 5.689 10.886 ( 5.048 -2.028 -9.564) 11.004 10.886 ( 5.048 -2.028 9.564) 11.004 11.604 ( 0.522 -15.523 -7.033) 17.050 11.604 ( 0.522 -15.523 7.033) 17.050 11.944 ( -0.009 1.027 -1.796) 2.069 11.944 ( -0.009 1.027 1.796) 2.069 12.285 ( -8.843 -6.593 -1.401) 11.119 12.285 ( -8.843 -6.593 1.401) 11.119 12.530 ( -3.288 -11.942 -0.466) 12.395 12.530 ( -3.288 -11.942 0.466) 12.395 12.917 ( 2.245 -14.826 -0.534) 15.004 12.917 ( 2.245 -14.826 0.534) 15.004 13.031 ( 4.828 -9.203 -4.563) 11.350 13.031 ( 4.828 -9.203 4.563) 11.350 15.250 ( 2.237 17.133 -3.785) 17.688 15.250 ( 2.237 17.133 3.785) 17.688 15.903 ( 3.151 3.705 -7.202) 8.691 15.903 ( 3.151 3.705 7.202) 8.691 16.282 ( -1.406 -13.488 -6.273) 14.941 16.282 ( -1.406 -13.488 6.273) 14.941 16.664 ( -4.571 -15.923 -1.532) 16.637 16.664 ( -4.571 -15.923 1.532) 16.637 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 11.850 7.543 -11.672) 18.263 1.419 ( 11.850 7.543 11.672) 18.263 1.704 ( 2.473 7.326 -11.549) 13.899 1.704 ( 2.473 7.326 11.549) 13.899 1.802 ( -11.163 6.117 -6.187) 14.153 1.802 ( -11.163 6.117 6.187) 14.153 2.186 ( -10.276 10.385 -6.097) 15.831 2.186 ( -10.276 10.385 6.097) 15.831 2.672 ( 5.401 10.228 -2.995) 11.948 2.672 ( 5.401 10.228 2.995) 11.948 2.710 ( 1.476 15.861 -3.127) 16.234 2.710 ( 1.476 15.861 3.127) 16.234 2.820 ( 5.717 11.467 -5.790) 14.060 2.820 ( 5.717 11.467 5.790) 14.060 3.000 ( 0.247 12.845 -2.385) 13.067 3.000 ( 0.247 12.845 2.385) 13.067 3.299 ( -2.621 14.628 -2.129) 15.013 3.299 ( -2.621 14.628 2.129) 15.013 3.411 ( 8.296 14.733 -7.884) 18.656 3.411 ( 8.296 14.733 7.884) 18.656 3.527 ( -0.298 12.128 -6.846) 13.930 3.527 ( -0.298 12.128 6.846) 13.930 3.773 ( -4.352 13.430 -2.726) 14.378 3.773 ( -4.352 13.430 2.726) 14.378 3.897 ( -2.296 12.163 -3.728) 12.928 3.897 ( -2.296 12.163 3.728) 12.928 3.964 ( -5.203 20.966 -4.835) 22.136 3.964 ( -5.203 20.966 4.835) 22.136 4.588 ( -2.872 -1.363 -2.309) 3.929 4.588 ( -2.872 -1.363 2.309) 3.929 4.767 ( -0.545 -4.425 -1.389) 4.670 4.767 ( -0.545 -4.425 1.389) 4.670 5.232 ( 5.209 -2.302 -3.572) 6.722 5.232 ( 5.209 -2.302 3.572) 6.722 5.409 ( 0.854 4.377 -1.198) 4.618 5.409 ( 0.854 4.377 1.198) 4.618 5.585 ( -2.960 -3.702 -2.178) 5.216 5.585 ( -2.960 -3.702 2.178) 5.216 6.093 ( 3.387 -10.244 -2.369) 11.046 6.093 ( 3.387 -10.244 2.369) 11.046 6.859 ( 7.043 3.829 -0.700) 8.047 6.859 ( 7.043 3.829 0.700) 8.047 6.983 ( -1.359 20.029 -2.296) 20.206 6.983 ( -1.359 20.029 2.296) 20.206 7.270 ( 2.144 4.082 -7.137) 8.497 7.270 ( 2.144 4.082 7.137) 8.497 7.503 ( -2.828 0.408 -3.112) 4.224 7.503 ( -2.828 0.408 3.112) 4.224 7.697 ( -1.966 16.888 -2.889) 17.246 7.697 ( -1.966 16.888 2.889) 17.246 8.198 ( 1.336 -2.549 -0.592) 2.938 8.198 ( 1.336 -2.549 0.592) 2.938 8.588 ( 8.355 1.576 -7.144) 11.105 8.588 ( 8.355 1.576 7.144) 11.105 8.844 ( -2.127 0.377 -8.778) 9.040 8.844 ( -2.127 0.377 8.778) 9.040 9.189 ( -3.811 5.116 -2.305) 6.783 9.189 ( -3.811 5.116 2.305) 6.783 9.255 ( -5.041 6.894 -3.206) 9.122 9.255 ( -5.041 6.894 3.206) 9.122 9.783 ( -1.726 -1.926 -1.766) 3.132 9.783 ( -1.726 -1.926 1.766) 3.132 10.982 ( 3.315 -3.732 -4.538) 6.746 10.982 ( 3.315 -3.732 4.538) 6.746 11.636 ( 2.644 -1.847 -3.325) 4.632 11.636 ( 2.644 -1.847 3.325) 4.632 11.848 ( -7.292 -4.374 -0.455) 8.515 11.848 ( -7.292 -4.374 0.455) 8.515 12.223 ( 1.495 -8.876 -3.171) 9.544 12.223 ( 1.495 -8.876 3.171) 9.544 12.460 ( -2.989 -14.136 -1.712) 14.550 12.460 ( -2.989 -14.136 1.712) 14.550 12.963 ( 1.655 -15.923 -0.546) 16.018 12.963 ( 1.655 -15.923 0.546) 16.018 13.093 ( 1.310 -9.490 -2.384) 9.872 13.093 ( 1.310 -9.490 2.384) 9.872 15.295 ( 1.583 15.486 -1.525) 15.642 15.295 ( 1.583 15.486 1.525) 15.642 15.979 ( 3.476 3.739 -4.535) 6.829 15.979 ( 3.476 3.739 4.535) 6.829 16.224 ( -3.442 -14.530 -4.741) 15.666 16.224 ( -3.442 -14.530 4.741) 15.666 16.591 ( -1.894 -12.944 -1.081) 13.127 16.591 ( -1.894 -12.944 1.081) 13.127 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 10.299 -2.642) 10.632 1.602 ( 0.000 10.299 2.642) 10.632 1.893 ( 0.000 19.678 -4.707) 20.233 1.893 ( 0.000 19.678 4.707) 20.233 2.280 ( 0.000 3.077 -6.065) 6.801 2.280 ( 0.000 3.077 6.065) 6.801 2.365 ( 0.000 8.949 -5.778) 10.653 2.365 ( 0.000 8.949 5.778) 10.653 2.511 ( 0.000 -0.309 -0.489) 0.579 2.511 ( 0.000 -0.309 0.489) 0.579 2.977 ( 0.000 15.990 -4.038) 16.492 2.977 ( 0.000 15.990 4.038) 16.492 3.055 ( 0.000 3.744 -6.592) 7.581 3.055 ( 0.000 3.744 6.592) 7.581 3.341 ( 0.000 19.125 -1.693) 19.200 3.341 ( 0.000 19.125 1.693) 19.200 3.523 ( 0.000 8.881 -7.090) 11.364 3.523 ( 0.000 8.881 7.090) 11.364 3.632 ( 0.000 26.202 -3.617) 26.450 3.632 ( 0.000 26.202 3.617) 26.450 3.998 ( 0.000 11.658 -9.814) 15.239 3.998 ( 0.000 11.658 9.814) 15.239 4.060 ( 0.000 12.440 -15.660) 19.999 4.060 ( 0.000 12.440 15.660) 19.999 4.275 ( 0.000 8.363 -5.461) 9.988 4.275 ( 0.000 8.363 5.461) 9.988 4.431 ( 0.000 20.475 -0.786) 20.490 4.431 ( 0.000 20.475 0.786) 20.490 4.556 ( 0.000 -1.845 -2.092) 2.789 4.556 ( 0.000 -1.845 2.092) 2.789 4.737 ( 0.000 4.620 -1.148) 4.760 4.737 ( 0.000 4.620 1.148) 4.760 5.099 ( 0.000 1.959 -0.235) 1.973 5.099 ( 0.000 1.959 0.235) 1.973 5.571 ( 0.000 3.158 -1.917) 3.695 5.571 ( 0.000 3.158 1.917) 3.695 5.586 ( 0.000 2.295 -3.242) 3.972 5.586 ( 0.000 2.295 3.242) 3.972 5.805 ( 0.000 -0.135 -8.791) 8.793 5.805 ( 0.000 -0.135 8.791) 8.793 6.473 ( 0.000 -3.435 -4.290) 5.496 6.473 ( 0.000 -3.435 4.290) 5.496 6.994 ( 0.000 1.134 -1.947) 2.253 6.994 ( 0.000 1.134 1.947) 2.253 7.458 ( 0.000 3.906 -6.538) 7.616 7.458 ( 0.000 3.906 6.538) 7.616 7.805 ( 0.000 8.007 -3.932) 8.920 7.805 ( 0.000 8.007 3.932) 8.920 8.160 ( 0.000 18.763 -1.633) 18.833 8.160 ( 0.000 18.763 1.633) 18.833 8.169 ( 0.000 4.931 -5.036) 7.048 8.169 ( 0.000 4.931 5.036) 7.048 8.537 ( 0.000 1.015 -14.484) 14.519 8.537 ( 0.000 1.015 14.484) 14.519 8.681 ( 0.000 -2.881 -12.751) 13.072 8.681 ( 0.000 -2.881 12.751) 13.072 9.378 ( 0.000 3.553 -8.555) 9.264 9.378 ( 0.000 3.553 8.555) 9.264 9.606 ( 0.000 9.818 -6.022) 11.517 9.606 ( 0.000 9.818 6.022) 11.517 9.850 ( 0.000 -3.979 -7.459) 8.454 9.850 ( 0.000 -3.979 7.459) 8.454 10.782 ( 0.000 -2.757 -5.576) 6.221 10.782 ( 0.000 -2.757 5.576) 6.221 11.251 ( 0.000 -12.886 -8.871) 15.645 11.251 ( 0.000 -12.886 8.871) 15.645 11.934 ( 0.000 -3.859 -1.706) 4.219 11.934 ( 0.000 -3.859 1.706) 4.219 12.235 ( 0.000 -12.634 -5.035) 13.600 12.235 ( 0.000 -12.634 5.035) 13.600 12.293 ( 0.000 -13.095 -3.231) 13.488 12.293 ( 0.000 -13.095 3.231) 13.488 12.604 ( 0.000 -17.109 -7.923) 18.855 12.604 ( 0.000 -17.109 7.923) 18.855 12.916 ( 0.000 4.402 -0.626) 4.447 12.916 ( 0.000 4.402 0.626) 4.447 15.485 ( 0.000 8.480 -4.967) 9.827 15.485 ( 0.000 8.480 4.967) 9.827 15.816 ( 0.000 -10.863 -6.807) 12.820 15.816 ( 0.000 -10.863 6.807) 12.820 16.022 ( 0.000 -13.309 -2.929) 13.628 16.022 ( 0.000 -13.309 2.929) 13.628 16.438 ( 0.000 -8.278 -2.397) 8.618 16.438 ( 0.000 -8.278 2.397) 8.618 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -1.706 11.846 -3.372) 12.434 1.582 ( -1.706 11.846 3.372) 12.434 1.857 ( -0.052 16.873 -4.646) 17.501 1.857 ( -0.052 16.873 4.646) 17.501 2.215 ( -10.465 7.800 -1.778) 13.173 2.215 ( -10.465 7.800 1.778) 13.173 2.407 ( 6.000 3.328 -4.143) 8.015 2.407 ( 6.000 3.328 4.143) 8.015 2.581 ( 3.396 2.355 -7.096) 8.211 2.581 ( 3.396 2.355 7.096) 8.211 2.857 ( -2.388 5.509 -7.169) 9.351 2.857 ( -2.388 5.509 7.169) 9.351 3.118 ( 1.860 17.176 -3.157) 17.563 3.118 ( 1.860 17.176 3.157) 17.563 3.365 ( 0.293 19.457 -3.089) 19.703 3.365 ( 0.293 19.457 3.089) 19.703 3.476 ( -3.751 3.158 -9.538) 10.724 3.476 ( -3.751 3.158 9.538) 10.724 3.698 ( 2.903 20.546 -4.985) 21.340 3.698 ( 2.903 20.546 4.985) 21.340 3.883 ( -5.460 11.298 -5.840) 13.841 3.883 ( -5.460 11.298 5.840) 13.841 4.130 ( 3.651 18.088 -9.848) 20.916 4.130 ( 3.651 18.088 9.848) 20.916 4.193 ( -4.680 12.240 -4.599) 13.888 4.193 ( -4.680 12.240 4.599) 13.888 4.453 ( 1.000 19.663 -1.947) 19.785 4.453 ( 1.000 19.663 1.947) 19.785 4.557 ( 0.273 -1.220 -4.693) 4.856 4.557 ( 0.273 -1.220 4.693) 4.856 4.778 ( -0.433 1.656 -1.727) 2.431 4.778 ( -0.433 1.656 1.727) 2.431 5.106 ( 3.628 4.868 -1.157) 6.181 5.106 ( 3.628 4.868 1.157) 6.181 5.535 ( -0.973 6.263 -2.152) 6.693 5.535 ( -0.973 6.263 2.152) 6.693 5.633 ( 0.605 2.402 -2.450) 3.484 5.633 ( 0.605 2.402 2.450) 3.484 5.823 ( 2.092 -5.803 -7.294) 9.553 5.823 ( 2.092 -5.803 7.294) 9.553 6.614 ( 12.380 -2.714 -3.344) 13.108 6.614 ( 12.380 -2.714 3.344) 13.108 7.071 ( 7.381 2.447 -4.233) 8.854 7.071 ( 7.381 2.447 4.233) 8.854 7.413 ( -4.144 4.526 -7.604) 9.771 7.413 ( -4.144 4.526 7.604) 9.771 7.743 ( -6.720 5.686 -5.905) 10.600 7.743 ( -6.720 5.686 5.905) 10.600 8.107 ( -4.263 14.197 -1.865) 14.940 8.107 ( -4.263 14.197 1.865) 14.940 8.156 ( 0.084 6.025 -1.155) 6.135 8.156 ( 0.084 6.025 1.155) 6.135 8.572 ( 1.856 3.069 -9.062) 9.746 8.572 ( 1.856 3.069 9.062) 9.746 8.733 ( 4.925 -3.415 -14.222) 15.433 8.733 ( 4.925 -3.415 14.222) 15.433 9.347 ( -3.217 2.969 -6.862) 8.139 9.347 ( -3.217 2.969 6.862) 8.139 9.552 ( -4.389 10.248 -5.280) 12.335 9.552 ( -4.389 10.248 5.280) 12.335 9.816 ( -2.737 -1.134 -5.576) 6.314 9.816 ( -2.737 -1.134 5.576) 6.314 10.822 ( 3.292 -3.994 -4.853) 7.095 10.822 ( 3.292 -3.994 4.853) 7.095 11.322 ( 6.887 -11.630 -7.413) 15.416 11.322 ( 6.887 -11.630 7.413) 15.416 11.916 ( -2.346 -4.620 -3.581) 6.298 11.916 ( -2.346 -4.620 3.581) 6.298 12.157 ( -6.415 -8.223 -3.565) 11.022 12.157 ( -6.415 -8.223 3.565) 11.022 12.266 ( -2.727 -13.944 -0.919) 14.238 12.266 ( -2.727 -13.944 0.919) 14.238 12.608 ( 0.925 -15.794 -4.933) 16.572 12.608 ( 0.925 -15.794 4.933) 16.572 12.928 ( 0.668 -0.595 -4.624) 4.710 12.928 ( 0.668 -0.595 4.624) 4.710 15.499 ( 1.297 8.138 -3.875) 9.107 15.499 ( 1.297 8.138 3.875) 9.107 15.824 ( 1.146 -11.762 -4.937) 12.808 15.824 ( 1.146 -11.762 4.937) 12.808 16.024 ( -0.611 -12.994 -3.255) 13.409 16.024 ( -0.611 -12.994 3.255) 13.409 16.420 ( -1.252 -6.441 -2.239) 6.934 16.420 ( -1.252 -6.441 2.239) 6.934 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 4.146 9.770 -5.183) 11.812 1.600 ( 4.146 9.770 5.183) 11.812 1.890 ( -1.519 11.502 -4.102) 12.306 1.890 ( -1.519 11.502 4.102) 12.306 1.978 ( -7.048 11.388 -5.860) 14.618 1.978 ( -7.048 11.388 5.860) 14.618 2.389 ( -5.003 9.991 -3.621) 11.746 2.389 ( -5.003 9.991 3.621) 11.746 2.716 ( 9.161 0.169 -1.938) 9.365 2.716 ( 9.161 0.169 1.938) 9.365 2.934 ( 4.633 3.384 -4.921) 7.558 2.934 ( 4.633 3.384 4.921) 7.558 3.136 ( 1.285 18.791 -3.755) 19.205 3.136 ( 1.285 18.791 3.755) 19.205 3.262 ( -8.760 8.448 -3.645) 12.705 3.262 ( -8.760 8.448 3.645) 12.705 3.445 ( 0.283 9.759 -2.092) 9.985 3.445 ( 0.283 9.759 2.092) 9.985 3.622 ( -5.332 3.366 -4.515) 7.755 3.622 ( -5.332 3.366 4.515) 7.755 3.929 ( 5.758 24.361 -5.807) 25.697 3.929 ( 5.758 24.361 5.807) 25.697 4.097 ( -3.982 17.718 -4.876) 18.803 4.097 ( -3.982 17.718 4.876) 18.803 4.237 ( 5.311 19.433 -9.538) 22.289 4.237 ( 5.311 19.433 9.538) 22.289 4.422 ( -4.047 17.838 -5.239) 19.027 4.422 ( -4.047 17.838 5.239) 19.027 4.581 ( 1.837 2.992 -6.625) 7.498 4.581 ( 1.837 2.992 6.625) 7.498 4.710 ( -3.447 1.405 -2.311) 4.382 4.710 ( -3.447 1.405 2.311) 4.382 5.233 ( 5.793 4.505 -1.968) 7.598 5.233 ( 5.793 4.505 1.968) 7.598 5.529 ( 0.040 6.935 -0.866) 6.989 5.529 ( 0.040 6.935 0.866) 6.989 5.596 ( -2.784 4.963 -1.000) 5.778 5.596 ( -2.784 4.963 1.000) 5.778 5.872 ( 1.782 -11.733 -2.425) 12.113 5.872 ( 1.782 -11.733 2.425) 12.113 6.873 ( 10.712 -0.083 -1.946) 10.888 6.873 ( 10.712 -0.083 1.946) 10.888 7.213 ( 1.118 2.355 -4.908) 5.558 7.213 ( 1.118 2.355 4.908) 5.558 7.355 ( 3.773 5.360 -11.026) 12.827 7.355 ( 3.773 5.360 11.026) 12.827 7.559 ( -10.337 4.609 -7.264) 13.449 7.559 ( -10.337 4.609 7.264) 13.449 8.028 ( -2.682 13.777 -0.679) 14.052 8.028 ( -2.682 13.777 0.679) 14.052 8.176 ( 0.999 1.204 -0.554) 1.660 8.176 ( 0.999 1.204 0.554) 1.660 8.596 ( 0.744 -0.105 -5.229) 5.282 8.596 ( 0.744 -0.105 5.229) 5.282 8.831 ( 3.429 -1.307 -8.107) 8.899 8.831 ( 3.429 -1.307 8.107) 8.899 9.264 ( -3.616 3.050 -3.495) 5.882 9.264 ( -3.616 3.050 3.495) 5.882 9.483 ( -1.839 11.882 -2.386) 12.258 9.483 ( -1.839 11.882 2.386) 12.258 9.767 ( -1.557 2.369 -1.839) 3.380 9.767 ( -1.557 2.369 1.839) 3.380 10.879 ( 1.750 -5.852 -1.928) 6.405 10.879 ( 1.750 -5.852 1.928) 6.405 11.498 ( 9.195 -10.893 -3.744) 14.739 11.498 ( 9.195 -10.893 3.744) 14.739 11.794 ( -8.857 -0.253 -1.489) 8.984 11.794 ( -8.857 -0.253 1.489) 8.984 12.098 ( 1.670 -9.832 -4.746) 11.044 12.098 ( 1.670 -9.832 4.746) 11.044 12.181 ( -5.184 -11.962 -2.731) 13.320 12.181 ( -5.184 -11.962 2.731) 13.320 12.639 ( 1.452 -15.260 -0.600) 15.341 12.639 ( 1.452 -15.260 0.600) 15.341 12.931 ( -0.172 -5.959 -2.796) 6.584 12.931 ( -0.172 -5.959 2.796) 6.584 15.525 ( 0.913 7.058 -1.398) 7.252 15.525 ( 0.913 7.058 1.398) 7.252 15.870 ( 3.053 -13.183 -2.377) 13.739 15.870 ( 3.053 -13.183 2.377) 13.739 15.979 ( -3.327 -11.473 -2.238) 12.154 15.979 ( -3.327 -11.473 2.238) 12.154 16.405 ( -0.266 -4.061 -0.916) 4.172 16.405 ( -0.266 -4.061 0.916) 4.172 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 7.385 -1.930) 7.633 1.780 ( 0.000 7.385 1.930) 7.633 2.264 ( 0.000 16.979 -3.942) 17.431 2.264 ( 0.000 16.979 3.942) 17.431 2.348 ( 0.000 4.406 -2.260) 4.952 2.348 ( 0.000 4.406 2.260) 4.952 2.478 ( 0.000 2.019 -1.569) 2.557 2.478 ( 0.000 2.019 1.569) 2.557 2.625 ( 0.000 11.820 -6.459) 13.470 2.625 ( 0.000 11.820 6.459) 13.470 3.008 ( 0.000 -3.311 -10.277) 10.797 3.008 ( 0.000 -3.311 10.277) 10.797 3.265 ( 0.000 8.317 -4.853) 9.630 3.265 ( 0.000 8.317 4.853) 9.630 3.536 ( 0.000 1.884 -3.452) 3.933 3.536 ( 0.000 1.884 3.452) 3.933 3.739 ( 0.000 11.915 -3.907) 12.539 3.739 ( 0.000 11.915 3.907) 12.539 3.910 ( 0.000 1.111 -6.923) 7.012 3.910 ( 0.000 1.111 6.923) 7.012 4.124 ( 0.000 5.876 -6.877) 9.045 4.124 ( 0.000 5.876 6.877) 9.045 4.358 ( 0.000 13.652 -2.503) 13.880 4.358 ( 0.000 13.652 2.503) 13.880 4.480 ( 0.000 -1.442 -1.028) 1.771 4.480 ( 0.000 -1.442 1.028) 1.771 4.559 ( 0.000 15.747 -4.403) 16.351 4.559 ( 0.000 15.747 4.403) 16.351 4.817 ( 0.000 5.456 -2.076) 5.838 4.817 ( 0.000 5.456 2.076) 5.838 4.872 ( 0.000 20.807 -2.707) 20.983 4.872 ( 0.000 20.807 2.707) 20.983 5.212 ( 0.000 3.444 -6.922) 7.732 5.212 ( 0.000 3.444 6.922) 7.732 5.623 ( 0.000 6.879 -0.861) 6.932 5.623 ( 0.000 6.879 0.861) 6.932 5.690 ( 0.000 6.388 -6.380) 9.028 5.690 ( 0.000 6.388 6.380) 9.028 5.908 ( 0.000 10.462 -2.888) 10.853 5.908 ( 0.000 10.462 2.888) 10.853 6.475 ( 0.000 4.159 -3.305) 5.313 6.475 ( 0.000 4.159 3.305) 5.313 7.014 ( 0.000 1.036 -6.219) 6.305 7.014 ( 0.000 1.036 6.219) 6.305 7.521 ( 0.000 2.857 -8.877) 9.325 7.521 ( 0.000 2.857 8.877) 9.325 7.805 ( 0.000 -4.131 -4.753) 6.297 7.805 ( 0.000 -4.131 4.753) 6.297 8.314 ( 0.000 3.527 -8.584) 9.280 8.314 ( 0.000 3.527 8.584) 9.280 8.397 ( 0.000 7.544 -2.926) 8.091 8.397 ( 0.000 7.544 2.926) 8.091 8.576 ( 0.000 -0.790 -18.982) 18.999 8.576 ( 0.000 -0.790 18.982) 18.999 8.680 ( 0.000 7.645 -4.815) 9.035 8.680 ( 0.000 7.645 4.815) 9.035 9.453 ( 0.000 3.893 -9.504) 10.270 9.453 ( 0.000 3.893 9.504) 10.270 9.722 ( 0.000 -3.379 -10.532) 11.060 9.722 ( 0.000 -3.379 10.532) 11.060 9.848 ( 0.000 7.924 -4.813) 9.271 9.848 ( 0.000 7.924 4.813) 9.271 10.724 ( 0.000 -2.975 -0.003) 2.975 10.724 ( 0.000 -2.975 0.003) 2.975 11.055 ( 0.000 -8.514 -13.394) 15.871 11.055 ( 0.000 -8.514 13.394) 15.871 11.774 ( 0.000 -10.031 -2.139) 10.257 11.774 ( 0.000 -10.031 2.139) 10.257 11.983 ( 0.000 -15.792 -5.095) 16.593 11.983 ( 0.000 -15.792 5.095) 16.593 12.073 ( 0.000 -6.584 -7.253) 9.796 12.073 ( 0.000 -6.584 7.253) 9.796 12.287 ( 0.000 -13.632 -5.283) 14.620 12.287 ( 0.000 -13.632 5.283) 14.620 13.039 ( 0.000 6.855 -2.877) 7.434 13.039 ( 0.000 6.855 2.877) 7.434 15.457 ( 0.000 -14.258 -5.846) 15.410 15.457 ( 0.000 -14.258 5.846) 15.410 15.669 ( 0.000 1.666 -4.508) 4.805 15.669 ( 0.000 1.666 4.508) 4.805 15.729 ( 0.000 -15.137 -2.790) 15.392 15.729 ( 0.000 -15.137 2.790) 15.392 16.383 ( 0.000 0.525 -4.361) 4.392 16.383 ( 0.000 0.525 4.361) 4.392 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.218 7.968 -2.278) 8.290 1.780 ( -0.218 7.968 2.278) 8.290 2.185 ( -3.979 15.183 -6.577) 17.018 2.185 ( -3.979 15.183 6.577) 17.018 2.360 ( -5.335 6.770 -1.116) 8.691 2.360 ( -5.335 6.770 1.116) 8.691 2.503 ( 7.774 5.855 -3.975) 10.513 2.503 ( 7.774 5.855 3.975) 10.513 2.644 ( -2.440 4.005 -8.619) 9.812 2.644 ( -2.440 4.005 8.619) 9.812 2.922 ( 0.004 3.291 -8.507) 9.122 2.922 ( 0.004 3.291 8.507) 9.122 3.381 ( 2.636 3.858 -4.559) 6.528 3.381 ( 2.636 3.858 4.559) 6.528 3.481 ( -3.306 4.918 -1.872) 6.215 3.481 ( -3.306 4.918 1.872) 6.215 3.718 ( -2.313 10.247 -2.270) 10.748 3.718 ( -2.313 10.247 2.270) 10.748 3.847 ( -6.542 2.991 -8.068) 10.810 3.847 ( -6.542 2.991 8.068) 10.810 4.093 ( 1.542 5.447 -2.265) 6.097 4.093 ( 1.542 5.447 2.265) 6.097 4.347 ( -1.112 3.532 -2.831) 4.661 4.347 ( -1.112 3.532 2.831) 4.661 4.517 ( 0.653 14.816 -2.776) 15.088 4.517 ( 0.653 14.816 2.776) 15.088 4.594 ( 3.920 7.027 -1.431) 8.172 4.594 ( 3.920 7.027 1.431) 8.172 4.803 ( 0.119 10.152 -3.783) 10.835 4.803 ( 0.119 10.152 3.783) 10.835 4.890 ( 0.498 17.631 -4.452) 18.191 4.890 ( 0.498 17.631 4.452) 18.191 5.303 ( 7.908 6.247 -4.768) 11.149 5.303 ( 7.908 6.247 4.768) 11.149 5.617 ( -0.621 4.280 -2.783) 5.143 5.617 ( -0.621 4.280 2.783) 5.143 5.683 ( -0.664 5.856 -5.967) 8.387 5.683 ( -0.664 5.856 5.967) 8.387 5.882 ( -2.295 11.375 -2.612) 11.894 5.882 ( -2.295 11.375 2.612) 11.894 6.611 ( 12.167 2.938 -3.545) 13.009 6.611 ( 12.167 2.938 3.545) 13.009 7.103 ( 8.213 0.842 -6.003) 10.207 7.103 ( 8.213 0.842 6.003) 10.207 7.480 ( -4.045 3.038 -9.221) 10.518 7.480 ( -4.045 3.038 9.221) 10.518 7.754 ( -4.962 -2.295 -3.977) 6.760 7.754 ( -4.962 -2.295 3.977) 6.760 8.251 ( -3.679 3.793 -3.782) 6.498 8.251 ( -3.679 3.793 3.782) 6.498 8.334 ( -5.313 6.195 -3.895) 9.043 8.334 ( -5.313 6.195 3.895) 9.043 8.634 ( 0.364 0.285 -5.351) 5.371 8.634 ( 0.364 0.285 5.351) 5.371 8.711 ( 5.419 4.977 -5.181) 8.998 8.711 ( 5.419 4.977 5.181) 8.998 9.412 ( -3.748 3.863 -8.394) 9.971 9.412 ( -3.748 3.863 8.394) 9.971 9.637 ( -5.394 -2.612 -5.723) 8.286 9.637 ( -5.394 -2.612 5.723) 8.286 9.909 ( 3.527 10.027 -2.253) 10.865 9.909 ( 3.527 10.027 2.253) 10.865 10.746 ( 1.744 -3.584 -0.487) 4.015 10.746 ( 1.744 -3.584 0.487) 4.015 11.118 ( 5.942 -10.516 -11.179) 16.458 11.118 ( 5.942 -10.516 11.179) 16.458 11.753 ( -2.020 -11.691 -3.734) 12.437 11.753 ( -2.020 -11.691 3.734) 12.437 11.935 ( -4.519 -13.240 -3.586) 14.442 11.935 ( -4.519 -13.240 3.586) 14.442 12.050 ( -1.681 -7.150 -5.940) 9.446 12.050 ( -1.681 -7.150 5.940) 9.446 12.333 ( 4.002 -10.837 -2.155) 11.751 12.333 ( 4.002 -10.837 2.155) 11.751 12.975 ( -5.689 4.029 -6.472) 9.513 12.975 ( -5.689 4.029 6.472) 9.513 15.455 ( -0.205 -14.032 -4.625) 14.776 15.455 ( -0.205 -14.032 4.625) 14.776 15.656 ( -0.098 -6.545 -2.976) 7.190 15.656 ( -0.098 -6.545 2.976) 7.190 15.770 ( 2.450 -6.161 -5.383) 8.540 15.770 ( 2.450 -6.161 5.383) 8.540 16.382 ( -0.004 0.459 -3.704) 3.732 16.382 ( -0.004 0.459 3.704) 3.732 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.100 7.487 -0.832) 7.534 1.774 ( -0.100 7.487 0.832) 7.534 2.148 ( -0.397 13.799 -7.255) 15.595 2.148 ( -0.397 13.799 7.255) 15.595 2.226 ( -5.000 13.011 -5.400) 14.948 2.226 ( -5.000 13.011 5.400) 14.948 2.532 ( -3.583 2.396 -4.535) 6.257 2.532 ( -3.583 2.396 4.535) 6.257 2.750 ( 12.159 4.823 -2.789) 13.375 2.750 ( 12.159 4.823 2.789) 13.375 2.996 ( 2.590 4.442 -5.295) 7.381 2.996 ( 2.590 4.442 5.295) 7.381 3.231 ( -10.068 -3.190 -6.802) 12.562 3.231 ( -10.068 -3.190 6.802) 12.562 3.468 ( -1.733 7.102 -4.703) 8.693 3.468 ( -1.733 7.102 4.703) 8.693 3.680 ( 0.014 8.600 -2.790) 9.041 3.680 ( 0.014 8.600 2.790) 9.041 3.742 ( -3.164 12.602 -5.027) 13.932 3.742 ( -3.164 12.602 5.027) 13.932 4.189 ( 6.122 1.284 -9.046) 10.998 4.189 ( 6.122 1.284 9.046) 10.998 4.295 ( -4.128 0.762 -7.631) 8.709 4.295 ( -4.128 0.762 7.631) 8.709 4.554 ( 2.916 12.373 -5.137) 13.711 4.554 ( 2.916 12.373 5.137) 13.711 4.622 ( -1.284 9.286 -5.109) 10.676 4.622 ( -1.284 9.286 5.109) 10.676 4.834 ( 2.116 11.410 -7.332) 13.727 4.834 ( 2.116 11.410 7.332) 13.727 4.885 ( -0.780 20.994 -6.744) 22.064 4.885 ( -0.780 20.994 6.744) 22.064 5.462 ( 6.335 11.852 -2.644) 13.696 5.462 ( 6.335 11.852 2.644) 13.696 5.595 ( -1.679 -5.345 -4.243) 7.028 5.595 ( -1.679 -5.345 4.243) 7.028 5.667 ( -0.706 7.141 -2.768) 7.691 5.667 ( -0.706 7.141 2.768) 7.691 5.836 ( -1.699 12.889 -1.285) 13.064 5.836 ( -1.699 12.889 1.285) 13.064 6.882 ( 12.308 1.193 -3.891) 12.964 6.882 ( 12.308 1.193 3.891) 12.964 7.214 ( -2.871 -0.780 -3.773) 4.805 7.214 ( -2.871 -0.780 3.773) 4.805 7.447 ( 6.210 3.951 -5.901) 9.434 7.447 ( 6.210 3.951 5.901) 9.434 7.624 ( -8.014 2.265 -2.707) 8.756 7.624 ( -8.014 2.265 2.707) 8.756 8.199 ( -1.903 3.796 -2.527) 4.941 8.199 ( -1.903 3.796 2.527) 4.941 8.236 ( -2.911 3.860 -2.824) 5.599 8.236 ( -2.911 3.860 2.824) 5.599 8.604 ( -1.570 0.798 -2.009) 2.672 8.604 ( -1.570 0.798 2.009) 2.672 8.821 ( 3.567 1.061 -3.650) 5.213 8.821 ( 3.567 1.061 3.650) 5.213 9.337 ( -2.597 4.772 -4.086) 6.798 9.337 ( -2.597 4.772 4.086) 6.798 9.559 ( -2.060 -2.415 -2.148) 3.832 9.559 ( -2.060 -2.415 2.148) 3.832 9.957 ( 1.221 13.729 -0.894) 13.812 9.957 ( 1.221 13.729 0.894) 13.812 10.776 ( 0.967 -4.413 -0.334) 4.530 10.776 ( 0.967 -4.413 0.334) 4.530 11.249 ( 5.261 -14.478 -4.720) 16.111 11.249 ( 5.261 -14.478 4.720) 16.111 11.704 ( -2.161 -17.707 -1.972) 17.947 11.704 ( -2.161 -17.707 1.972) 17.947 11.842 ( -3.367 -4.173 -1.088) 5.471 11.842 ( -3.367 -4.173 1.088) 5.471 12.019 ( -1.083 -6.958 -2.199) 7.377 12.019 ( -1.083 -6.958 2.199) 7.377 12.415 ( 3.126 -6.688 -1.135) 7.469 12.415 ( 3.126 -6.688 1.135) 7.469 12.860 ( -4.212 -1.871 -4.777) 6.638 12.860 ( -4.212 -1.871 4.777) 6.638 15.451 ( -0.077 -13.111 -1.679) 13.218 15.451 ( -0.077 -13.111 1.679) 13.218 15.665 ( 0.515 -14.961 -1.071) 15.008 15.665 ( 0.515 -14.961 1.071) 15.008 15.802 ( 0.755 3.176 -2.706) 4.240 15.802 ( 0.755 3.176 2.706) 4.240 16.383 ( 0.088 0.023 -1.482) 1.485 16.383 ( 0.088 0.023 1.482) 1.485 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 4.306 -1.842) 4.684 1.893 ( 0.000 4.306 1.842) 4.684 2.384 ( 0.000 -1.976 -0.254) 1.993 2.384 ( 0.000 -1.976 0.254) 1.993 2.506 ( 0.000 9.534 -2.898) 9.965 2.506 ( 0.000 9.534 2.898) 9.965 2.649 ( 0.000 13.856 -1.550) 13.942 2.649 ( 0.000 13.856 1.550) 13.942 2.854 ( 0.000 10.336 -6.142) 12.023 2.854 ( 0.000 10.336 6.142) 12.023 2.941 ( 0.000 -2.688 -9.140) 9.527 2.941 ( 0.000 -2.688 9.140) 9.527 3.337 ( 0.000 -0.510 -8.337) 8.353 3.337 ( 0.000 -0.510 8.337) 8.353 3.491 ( 0.000 -4.394 -3.536) 5.640 3.491 ( 0.000 -4.394 3.536) 5.640 3.870 ( 0.000 0.880 -2.199) 2.369 3.870 ( 0.000 0.880 2.199) 2.369 3.908 ( 0.000 -2.311 -1.697) 2.867 3.908 ( 0.000 -2.311 1.697) 2.867 4.197 ( 0.000 4.988 -2.689) 5.667 4.197 ( 0.000 4.988 2.689) 5.667 4.468 ( 0.000 0.800 -4.416) 4.488 4.468 ( 0.000 0.800 4.416) 4.488 4.511 ( 0.000 3.128 -3.775) 4.902 4.511 ( 0.000 3.128 3.775) 4.902 4.830 ( 0.000 7.238 -3.079) 7.865 4.830 ( 0.000 7.238 3.079) 7.865 4.970 ( 0.000 8.475 -4.694) 9.687 4.970 ( 0.000 8.475 4.694) 9.687 5.176 ( 0.000 1.742 -0.103) 1.745 5.176 ( 0.000 1.742 0.103) 1.745 5.296 ( 0.000 17.505 -2.234) 17.647 5.296 ( 0.000 17.505 2.234) 17.647 5.665 ( 0.000 -0.524 -2.281) 2.341 5.665 ( 0.000 -0.524 2.281) 2.341 5.998 ( 0.000 18.896 -0.835) 18.914 5.998 ( 0.000 18.896 0.835) 18.914 6.149 ( 0.000 12.157 -0.907) 12.191 6.149 ( 0.000 12.157 0.907) 12.191 6.624 ( 0.000 9.771 -3.414) 10.350 6.624 ( 0.000 9.771 3.414) 10.350 7.021 ( 0.000 -0.688 -7.043) 7.076 7.021 ( 0.000 -0.688 7.043) 7.076 7.581 ( 0.000 3.102 -7.793) 8.388 7.581 ( 0.000 3.102 7.793) 8.388 7.741 ( 0.000 -0.991 -2.740) 2.914 7.741 ( 0.000 -0.991 2.740) 2.914 8.277 ( 0.000 -3.536 -6.884) 7.739 8.277 ( 0.000 -3.536 6.884) 7.739 8.456 ( 0.000 -7.352 -14.237) 16.024 8.456 ( 0.000 -7.352 14.237) 16.024 8.618 ( 0.000 10.969 -5.760) 12.390 8.618 ( 0.000 10.969 5.760) 12.390 8.885 ( 0.000 10.232 -7.767) 12.846 8.885 ( 0.000 10.232 7.767) 12.846 9.539 ( 0.000 4.776 -11.218) 12.192 9.539 ( 0.000 4.776 11.218) 12.192 9.611 ( 0.000 -7.109 -11.372) 13.412 9.611 ( 0.000 -7.109 11.372) 13.412 9.978 ( 0.000 3.775 -1.236) 3.972 9.978 ( 0.000 3.775 1.236) 3.972 10.661 ( 0.000 -3.420 -4.300) 5.495 10.661 ( 0.000 -3.420 4.300) 5.495 10.893 ( 0.000 -6.820 -11.931) 13.743 10.893 ( 0.000 -6.820 11.931) 13.743 11.491 ( 0.000 -21.499 -0.097) 21.500 11.491 ( 0.000 -21.499 0.097) 21.500 11.754 ( 0.000 -3.497 -2.318) 4.196 11.754 ( 0.000 -3.497 2.318) 4.196 11.978 ( 0.000 -4.119 -5.255) 6.677 11.978 ( 0.000 -4.119 5.255) 6.677 12.097 ( 0.000 -5.362 -0.814) 5.424 12.097 ( 0.000 -5.362 0.815) 5.424 13.161 ( 0.000 5.208 -3.316) 6.174 13.161 ( 0.000 5.208 3.316) 6.174 15.157 ( 0.000 -14.022 -4.528) 14.735 15.157 ( 0.000 -14.022 4.528) 14.735 15.443 ( 0.000 -12.321 -0.062) 12.321 15.443 ( 0.000 -12.321 0.062) 12.321 15.736 ( 0.000 3.165 -6.221) 6.980 15.736 ( 0.000 3.165 6.221) 6.980 16.405 ( 0.000 1.219 -4.983) 5.130 16.405 ( 0.000 1.219 4.983) 5.130 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.411 4.643 -2.076) 5.103 1.901 ( 0.411 4.643 2.076) 5.103 2.363 ( -1.782 0.698 -4.974) 5.330 2.363 ( -1.782 0.698 4.974) 5.330 2.518 ( 0.164 9.778 -0.853) 9.816 2.518 ( 0.164 9.778 0.853) 9.816 2.636 ( -1.307 7.604 -2.046) 7.982 2.636 ( -1.307 7.604 2.046) 7.982 2.743 ( -4.643 6.977 -3.814) 9.208 2.743 ( -4.643 6.977 3.814) 9.208 3.019 ( 5.830 5.323 -6.298) 10.099 3.019 ( 5.830 5.323 6.298) 10.099 3.354 ( -2.957 -2.154 -4.193) 5.565 3.354 ( -2.957 -2.154 4.193) 5.565 3.547 ( 3.587 -1.022 -5.688) 6.802 3.547 ( 3.587 -1.022 5.688) 6.802 3.735 ( -5.155 -3.401 -2.611) 6.705 3.735 ( -5.155 -3.401 2.611) 6.705 3.957 ( 0.273 2.391 -3.974) 4.646 3.957 ( 0.273 2.391 3.974) 4.646 4.171 ( -1.539 4.249 -2.583) 5.205 4.171 ( -1.539 4.249 2.583) 5.205 4.372 ( -4.553 2.233 -3.838) 6.359 4.372 ( -4.553 2.233 3.838) 6.359 4.621 ( 5.262 1.021 -3.652) 6.486 4.621 ( 5.262 1.021 3.652) 6.486 4.776 ( -2.631 7.047 -3.660) 8.366 4.776 ( -2.631 7.047 3.660) 8.366 5.060 ( 4.987 12.413 -3.355) 13.792 5.060 ( 4.987 12.413 3.355) 13.792 5.170 ( 0.834 -0.090 -2.403) 2.545 5.170 ( 0.834 -0.090 2.403) 2.545 5.355 ( 4.413 13.489 -3.721) 14.672 5.355 ( 4.413 13.489 3.721) 14.672 5.659 ( -0.539 0.103 -1.572) 1.665 5.659 ( -0.539 0.103 1.572) 1.665 5.993 ( -0.225 19.348 -0.875) 19.369 5.993 ( -0.225 19.348 0.875) 19.369 6.146 ( -0.378 13.464 -0.466) 13.477 6.146 ( -0.378 13.464 0.466) 13.477 6.721 ( 8.720 7.202 -2.844) 11.662 6.721 ( 8.720 7.202 2.844) 11.662 7.090 ( 6.052 -2.330 -6.141) 8.931 7.090 ( 6.052 -2.330 6.141) 8.931 7.555 ( -2.359 4.482 -6.833) 8.506 7.555 ( -2.359 4.482 6.833) 8.506 7.726 ( -1.234 0.773 -1.841) 2.347 7.726 ( -1.234 0.773 1.841) 2.347 8.242 ( -2.286 -2.524 -4.828) 5.909 8.242 ( -2.286 -2.524 4.828) 5.909 8.419 ( -4.731 -1.187 -9.264) 10.470 8.419 ( -4.731 -1.187 9.264) 10.470 8.624 ( 0.500 3.567 -1.863) 4.055 8.624 ( 0.500 3.567 1.863) 4.055 8.878 ( -0.382 9.154 -4.604) 10.254 8.878 ( -0.382 9.154 4.604) 10.254 9.487 ( -3.646 0.403 -7.540) 8.385 9.487 ( -3.646 0.403 7.540) 8.385 9.564 ( -3.549 -0.488 -5.337) 6.428 9.564 ( -3.549 -0.488 5.337) 6.428 10.077 ( 7.437 5.274 -0.813) 9.154 10.077 ( 7.437 5.274 0.813) 9.154 10.668 ( 0.523 -4.864 -3.454) 5.989 10.668 ( 0.523 -4.864 3.454) 5.989 10.903 ( 1.226 -9.362 -10.480) 14.106 10.903 ( 1.226 -9.362 10.480) 14.106 11.410 ( -6.956 -21.874 -1.119) 22.981 11.410 ( -6.956 -21.874 1.119) 22.981 11.780 ( 1.932 -2.828 -2.093) 4.013 11.780 ( 1.932 -2.828 2.093) 4.013 11.938 ( -2.368 -4.377 -4.254) 6.547 11.938 ( -2.368 -4.377 4.254) 6.547 12.195 ( 7.928 -3.499 -1.553) 8.804 12.195 ( 7.928 -3.499 1.553) 8.804 13.053 ( -9.850 3.506 -6.218) 12.165 13.053 ( -9.850 3.506 6.218) 12.165 15.167 ( 1.029 -13.305 -4.130) 13.969 15.167 ( 1.029 -13.305 4.130) 13.969 15.413 ( -2.472 -12.373 -1.901) 12.760 15.413 ( -2.472 -12.373 1.901) 12.760 15.809 ( 6.008 4.024 -5.643) 9.172 15.809 ( 6.008 4.024 5.643) 9.172 16.395 ( -0.974 0.498 -4.455) 4.588 16.395 ( -0.974 0.498 4.455) 4.588 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.545 5.188 -1.089) 5.329 1.897 ( -0.545 5.188 1.089) 5.329 2.361 ( 2.272 3.779 -8.583) 9.650 2.361 ( 2.272 3.779 8.583) 9.650 2.475 ( -5.418 10.413 -8.082) 14.252 2.475 ( -5.418 10.413 8.082) 14.252 2.535 ( -2.444 4.107 -2.471) 5.380 2.535 ( -2.444 4.106 2.471) 5.380 2.868 ( 11.800 5.294 -3.059) 13.290 2.868 ( 11.800 5.294 3.059) 13.290 3.110 ( 0.552 3.081 -6.361) 7.090 3.110 ( 0.552 3.081 6.361) 7.090 3.198 ( -9.442 4.743 -2.537) 10.867 3.198 ( -9.442 4.743 2.537) 10.867 3.488 ( -3.731 -1.948 -4.518) 6.174 3.488 ( -3.731 -1.948 4.518) 6.174 3.809 ( 6.518 -0.023 -8.356) 10.598 3.809 ( 6.518 -0.023 8.356) 10.598 3.915 ( -3.810 3.729 -7.480) 9.185 3.915 ( -3.810 3.729 7.480) 9.185 4.188 ( 3.502 1.365 -1.728) 4.137 4.188 ( 3.502 1.365 1.728) 4.137 4.281 ( -4.900 1.046 -3.206) 5.948 4.281 ( -4.900 1.046 3.206) 5.948 4.698 ( 2.775 2.878 -5.412) 6.728 4.698 ( 2.775 2.878 5.412) 6.728 4.740 ( -1.531 5.219 -5.207) 7.529 4.740 ( -1.531 5.219 5.207) 7.529 5.116 ( 1.133 14.262 -1.235) 14.360 5.116 ( 1.133 14.262 1.235) 14.360 5.207 ( 1.492 -0.633 -1.222) 2.030 5.207 ( 1.492 -0.633 1.222) 2.030 5.431 ( 2.418 8.609 -1.392) 9.049 5.431 ( 2.418 8.609 1.392) 9.049 5.649 ( -0.297 1.537 -0.342) 1.602 5.649 ( -0.297 1.537 0.342) 1.602 5.995 ( 0.243 20.242 -0.462) 20.248 5.995 ( 0.243 20.242 0.462) 20.248 6.134 ( -0.617 15.103 -0.223) 15.117 6.134 ( -0.617 15.103 0.223) 15.117 6.912 ( 8.197 1.376 -3.058) 8.856 6.912 ( 8.197 1.376 3.058) 8.856 7.176 ( 0.156 -3.497 -4.264) 5.517 7.176 ( 0.156 -3.497 4.264) 5.517 7.540 ( 2.356 6.221 -2.542) 7.121 7.540 ( 2.356 6.221 2.542) 7.121 7.690 ( -2.481 5.108 -1.091) 5.783 7.690 ( -2.481 5.108 1.091) 5.783 8.220 ( 0.662 -0.615 -5.367) 5.442 8.220 ( 0.662 -0.615 5.367) 5.442 8.294 ( -6.157 1.145 -7.047) 9.427 8.294 ( -6.157 1.145 7.047) 9.427 8.615 ( -0.965 0.782 -1.518) 1.961 8.615 ( -0.965 0.782 1.518) 1.961 8.883 ( 0.552 4.602 -0.994) 4.740 8.883 ( 0.552 4.602 0.994) 4.740 9.449 ( 0.268 1.858 -6.353) 6.625 9.449 ( 0.268 1.858 6.353) 6.625 9.492 ( -3.292 1.469 -5.510) 6.585 9.492 ( -3.292 1.469 5.510) 6.585 10.198 ( 3.559 9.533 -0.775) 10.205 10.198 ( 3.559 9.533 0.775) 10.205 10.676 ( 0.261 -7.566 -1.316) 7.684 10.676 ( 0.261 -7.566 1.316) 7.684 10.944 ( 2.293 -14.023 -4.977) 15.055 10.944 ( 2.293 -14.023 4.977) 15.055 11.268 ( -5.440 -22.860 -0.631) 23.507 11.268 ( -5.440 -22.860 0.631) 23.507 11.812 ( 1.020 -1.255 -1.306) 2.079 11.812 ( 1.020 -1.255 1.306) 2.079 11.903 ( -1.025 -4.526 -1.830) 4.988 11.903 ( -1.025 -4.526 1.830) 4.988 12.368 ( 7.637 1.066 -3.670) 8.539 12.368 ( 7.637 1.066 3.670) 8.539 12.835 ( -9.363 -1.055 -5.752) 11.039 12.835 ( -9.363 -1.055 5.752) 11.039 15.193 ( 1.156 -11.533 -2.173) 11.793 15.193 ( 1.156 -11.533 2.173) 11.793 15.365 ( -1.755 -13.831 -1.539) 14.026 15.365 ( -1.755 -13.831 1.539) 14.026 15.918 ( 3.604 6.698 -2.655) 8.056 15.918 ( 3.604 6.698 2.655) 8.056 16.373 ( -0.919 -1.340 -2.112) 2.664 16.373 ( -0.919 -1.340 2.112) 2.664 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 3.720 -1.430) 3.985 1.969 ( 0.000 3.720 1.430) 3.985 2.303 ( 0.000 -5.353 -0.875) 5.424 2.303 ( 0.000 -5.353 0.875) 5.424 2.701 ( 0.000 9.637 -4.739) 10.739 2.701 ( 0.000 9.637 4.739) 10.739 2.874 ( 0.000 7.060 -1.951) 7.324 2.874 ( 0.000 7.060 1.951) 7.324 2.920 ( 0.000 0.422 -6.504) 6.518 2.920 ( 0.000 0.422 6.504) 6.518 3.020 ( 0.000 6.181 -0.067) 6.181 3.020 ( 0.000 6.181 0.067) 6.181 3.256 ( 0.000 -5.155 -8.010) 9.525 3.256 ( 0.000 -5.155 8.010) 9.525 3.453 ( 0.000 0.344 -6.897) 6.906 3.453 ( 0.000 0.344 6.897) 6.906 3.787 ( 0.000 -8.310 -1.373) 8.422 3.787 ( 0.000 -8.310 1.373) 8.422 3.847 ( 0.000 -1.882 -2.691) 3.284 3.847 ( 0.000 -1.882 2.691) 3.284 4.312 ( 0.000 5.046 -0.062) 5.047 4.312 ( 0.000 5.046 0.062) 5.047 4.487 ( 0.000 0.882 -1.046) 1.368 4.487 ( 0.000 0.882 1.046) 1.368 4.573 ( 0.000 3.317 -0.223) 3.325 4.573 ( 0.000 3.317 0.223) 3.325 4.896 ( 0.000 -3.671 -2.375) 4.372 4.896 ( 0.000 -3.671 2.375) 4.372 4.942 ( 0.000 0.363 -0.861) 0.934 4.942 ( 0.000 0.363 0.861) 0.934 5.401 ( 0.000 12.195 -0.170) 12.196 5.401 ( 0.000 12.195 0.170) 12.196 5.510 ( 0.000 3.541 -1.690) 3.923 5.510 ( 0.000 3.541 1.690) 3.923 5.685 ( 0.000 3.308 -2.710) 4.277 5.685 ( 0.000 3.308 2.710) 4.277 6.309 ( 0.000 11.441 -0.024) 11.441 6.309 ( 0.000 11.441 0.024) 11.441 6.348 ( 0.000 7.379 -1.909) 7.622 6.348 ( 0.000 7.379 1.909) 7.622 6.807 ( 0.000 7.509 -4.155) 8.582 6.807 ( 0.000 7.509 4.155) 8.582 6.984 ( 0.000 -2.739 -5.356) 6.015 6.984 ( 0.000 -2.739 5.356) 6.015 7.637 ( 0.000 2.471 -4.106) 4.792 7.637 ( 0.000 2.471 4.106) 4.792 7.790 ( 0.000 5.637 -0.979) 5.721 7.790 ( 0.000 5.637 0.979) 5.721 8.219 ( 0.000 -2.369 -3.641) 4.344 8.219 ( 0.000 -2.369 3.641) 4.344 8.267 ( 0.000 -10.261 -9.804) 14.192 8.267 ( 0.000 -10.261 9.804) 14.192 8.864 ( 0.000 13.061 -5.162) 14.044 8.864 ( 0.000 13.061 5.162) 14.044 9.059 ( 0.000 7.205 -10.023) 12.344 9.059 ( 0.000 7.205 10.023) 12.344 9.436 ( 0.000 -10.482 -10.229) 14.646 9.436 ( 0.000 -10.482 10.229) 14.646 9.617 ( 0.000 1.837 -11.655) 11.799 9.617 ( 0.000 1.837 11.655) 11.799 10.026 ( 0.000 3.196 -1.085) 3.375 10.026 ( 0.000 3.196 1.085) 3.375 10.610 ( 0.000 -1.280 -3.597) 3.818 10.610 ( 0.000 -1.280 3.597) 3.818 10.806 ( 0.000 -2.848 -8.155) 8.638 10.806 ( 0.000 -2.848 8.155) 8.638 11.049 ( 0.000 -20.173 -4.225) 20.611 11.049 ( 0.000 -20.173 4.225) 20.611 11.724 ( 0.000 -1.076 -2.237) 2.483 11.724 ( 0.000 -1.076 2.237) 2.483 11.912 ( 0.000 -2.237 -3.752) 4.368 11.912 ( 0.000 -2.237 3.752) 4.368 12.057 ( 0.000 0.287 -0.610) 0.674 12.057 ( 0.000 0.287 0.610) 0.674 13.239 ( 0.000 2.609 -2.084) 3.339 13.239 ( 0.000 2.609 2.084) 3.339 14.934 ( 0.000 -8.027 -2.613) 8.441 14.934 ( 0.000 -8.027 2.613) 8.441 15.254 ( 0.000 -6.525 -0.418) 6.538 15.254 ( 0.000 -6.525 0.418) 6.538 15.788 ( 0.000 1.966 -3.987) 4.446 15.788 ( 0.000 1.966 3.987) 4.446 16.423 ( 0.000 0.574 -3.394) 3.442 16.423 ( 0.000 0.574 3.394) 3.442 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.148 4.238 -1.642) 4.688 1.985 ( 1.148 4.238 1.642) 4.688 2.292 ( -0.861 -5.907 -2.614) 6.517 2.292 ( -0.861 -5.907 2.614) 6.517 2.660 ( -3.803 4.365 -2.854) 6.455 2.660 ( -3.803 4.365 2.854) 6.455 2.813 ( -3.258 9.215 -1.400) 9.874 2.813 ( -3.258 9.215 1.400) 9.874 2.901 ( -0.957 7.303 -2.486) 7.774 2.901 ( -0.957 7.303 2.486) 7.774 3.077 ( 3.676 0.881 -3.481) 5.139 3.077 ( 3.676 0.881 3.481) 5.139 3.335 ( 5.137 -1.517 -4.806) 7.196 3.335 ( 5.137 -1.517 4.806) 7.196 3.495 ( 3.000 -1.716 -3.318) 4.791 3.495 ( 3.000 -1.716 3.318) 4.791 3.669 ( -5.651 -2.326 -1.543) 6.302 3.669 ( -5.651 -2.326 1.543) 6.302 3.896 ( 0.851 -6.277 -4.101) 7.547 3.896 ( 0.851 -6.277 4.101) 7.547 4.266 ( -3.212 4.220 -0.692) 5.349 4.266 ( -3.212 4.220 0.692) 5.349 4.433 ( -4.023 2.628 -1.341) 4.989 4.433 ( -4.023 2.628 1.341) 4.989 4.648 ( 5.025 2.199 -1.391) 5.659 4.648 ( 5.025 2.199 1.391) 5.659 4.871 ( -0.824 1.338 -3.619) 3.945 4.871 ( -0.824 1.338 3.619) 3.945 5.011 ( 4.463 -3.694 -0.537) 5.818 5.011 ( 4.463 -3.694 0.537) 5.818 5.326 ( -4.302 5.607 -2.792) 7.599 5.326 ( -4.302 5.607 2.792) 7.599 5.593 ( 4.978 7.861 -3.274) 9.864 5.593 ( 4.978 7.861 3.274) 9.864 5.692 ( 0.687 3.837 -2.775) 4.785 5.692 ( 0.687 3.837 2.775) 4.785 6.310 ( 0.336 11.622 -1.150) 11.684 6.310 ( 0.336 11.622 1.150) 11.684 6.368 ( 1.436 8.182 -0.921) 8.358 6.368 ( 1.436 8.182 0.921) 8.358 6.855 ( 3.963 5.646 -2.769) 7.433 6.855 ( 3.963 5.646 2.769) 7.433 7.022 ( 3.595 -4.015 -4.613) 7.094 7.022 ( 3.595 -4.015 4.613) 7.094 7.645 ( 1.085 4.280 -3.430) 5.591 7.645 ( 1.085 4.280 3.430) 5.591 7.801 ( 0.956 6.182 -2.357) 6.685 7.801 ( 0.956 6.182 2.357) 6.685 8.193 ( -1.178 -2.430 -1.391) 3.037 8.193 ( -1.178 -2.430 1.391) 3.037 8.291 ( 0.551 -8.656 -7.256) 11.308 8.291 ( 0.551 -8.656 7.256) 11.308 8.782 ( -6.464 9.870 -2.334) 12.027 8.782 ( -6.464 9.870 2.334) 12.027 9.035 ( -3.764 5.250 -6.482) 9.151 9.035 ( -3.764 5.250 6.482) 9.151 9.395 ( -0.720 -4.485 -6.308) 7.773 9.395 ( -0.720 -4.485 6.308) 7.773 9.652 ( 1.267 3.854 -7.272) 8.327 9.652 ( 1.267 3.854 7.272) 8.327 10.104 ( 7.225 -0.532 -1.482) 7.395 10.104 ( 7.225 -0.532 1.482) 7.395 10.577 ( -3.503 -3.239 -3.576) 5.962 10.577 ( -3.503 -3.239 3.576) 5.962 10.788 ( -1.231 -3.458 -5.791) 6.857 10.788 ( -1.231 -3.458 5.791) 6.857 10.984 ( -5.649 -18.503 -3.009) 19.578 10.984 ( -5.649 -18.503 3.009) 19.578 11.745 ( 1.818 -1.412 -2.852) 3.665 11.745 ( 1.818 -1.412 2.852) 3.665 11.881 ( -2.126 -1.591 -3.369) 4.290 11.881 ( -2.126 -1.591 3.369) 4.290 12.172 ( 10.038 0.388 -1.936) 10.230 12.172 ( 10.038 0.388 1.936) 10.230 13.106 ( -12.280 1.729 -3.804) 12.971 13.106 ( -12.280 1.729 3.804) 12.971 14.957 ( 2.287 -7.488 -2.621) 8.257 14.957 ( 2.287 -7.488 2.621) 8.257 15.220 ( -3.153 -6.740 -1.594) 7.610 15.220 ( -3.153 -6.740 1.594) 7.610 15.879 ( 8.005 2.770 -3.853) 9.306 15.879 ( 8.005 2.770 3.853) 9.306 16.399 ( -2.475 -0.056 -3.273) 4.104 16.399 ( -2.475 -0.056 3.273) 4.104 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.023 5.375 -0.924) 5.454 1.997 ( 0.023 5.375 0.924) 5.454 2.285 ( 0.166 -7.453 -2.463) 7.851 2.285 ( 0.166 -7.453 2.463) 7.851 2.603 ( -1.113 5.067 -2.411) 5.721 2.603 ( -1.113 5.067 2.411) 5.721 2.727 ( -3.799 7.321 -1.328) 8.355 2.727 ( -3.799 7.321 1.328) 8.355 2.938 ( 2.649 3.702 -1.406) 4.765 2.938 ( 2.649 3.702 1.406) 4.765 3.138 ( 2.332 1.294 -3.972) 4.785 3.138 ( 2.332 1.294 3.972) 4.785 3.383 ( -1.671 8.561 -4.930) 10.019 3.383 ( -1.671 8.561 4.930) 10.019 3.459 ( -1.850 1.747 -2.771) 3.762 3.459 ( -1.850 1.747 2.771) 3.762 3.714 ( 5.939 -6.912 -6.606) 11.255 3.714 ( 5.939 -6.912 6.606) 11.255 3.866 ( -3.100 -7.406 -7.194) 10.780 3.866 ( -3.100 -7.406 7.194) 10.780 4.242 ( 1.523 3.199 -1.599) 3.887 4.242 ( 1.523 3.199 1.599) 3.887 4.336 ( -5.197 2.473 -1.333) 5.908 4.336 ( -5.197 2.473 1.333) 5.908 4.733 ( 2.838 2.497 -1.306) 4.000 4.733 ( 2.838 2.497 1.306) 4.000 4.858 ( -0.736 3.737 -2.167) 4.383 4.858 ( -0.736 3.737 2.167) 4.383 5.085 ( 2.393 -3.735 -0.450) 4.459 5.085 ( 2.393 -3.735 0.450) 4.459 5.265 ( -1.679 0.226 -1.322) 2.149 5.265 ( -1.679 0.226 1.322) 2.149 5.666 ( 2.020 9.053 -1.938) 9.476 5.666 ( 2.020 9.053 1.938) 9.476 5.706 ( 0.473 4.518 -1.784) 4.881 5.706 ( 0.473 4.518 1.784) 4.881 6.325 ( 0.867 12.170 -0.724) 12.223 6.325 ( 0.867 12.170 0.724) 12.223 6.383 ( 0.023 9.240 -0.048) 9.241 6.383 ( 0.023 9.240 0.048) 9.241 6.933 ( 3.061 1.208 -1.442) 3.593 6.933 ( 3.061 1.208 1.442) 3.593 7.084 ( 1.417 -5.237 -2.630) 6.029 7.084 ( 1.417 -5.237 2.630) 6.029 7.694 ( 3.215 8.424 -1.216) 9.098 7.694 ( 3.215 8.424 1.216) 9.098 7.815 ( -0.026 6.516 -1.761) 6.750 7.815 ( -0.026 6.516 1.761) 6.750 8.194 ( 1.580 -1.876 -4.406) 5.043 8.194 ( 1.580 -1.876 4.406) 5.043 8.257 ( -3.651 -4.480 -6.807) 8.930 8.257 ( -3.651 -4.480 6.807) 8.930 8.674 ( -3.147 5.564 -0.925) 6.459 8.674 ( -3.147 5.564 0.925) 6.459 8.939 ( -3.685 -1.278 -2.806) 4.805 8.939 ( -3.685 -1.278 2.806) 4.805 9.429 ( 2.515 3.647 -1.763) 4.769 9.429 ( 2.515 3.647 1.763) 4.769 9.646 ( -1.202 7.298 -3.063) 8.005 9.646 ( -1.202 7.298 3.063) 8.005 10.278 ( 9.155 -3.754 -3.101) 10.369 10.278 ( 9.155 -3.754 3.101) 10.369 10.466 ( -7.310 -8.705 -4.285) 12.148 10.466 ( -7.310 -8.705 4.285) 12.148 10.779 ( 0.461 -4.431 -2.143) 4.943 10.779 ( 0.461 -4.431 2.143) 4.943 10.871 ( -4.330 -14.950 -0.920) 15.592 10.871 ( -4.330 -14.950 0.920) 15.592 11.785 ( 1.875 -1.265 -2.520) 3.386 11.785 ( 1.875 -1.265 2.520) 3.386 11.840 ( -1.806 -1.978 -2.494) 3.660 11.840 ( -1.806 -1.978 2.494) 3.660 12.418 ( 13.083 2.990 -3.587) 13.892 12.418 ( 13.083 2.990 3.587) 13.892 12.813 ( -14.720 -1.096 -4.425) 15.410 12.813 ( -14.720 -1.096 4.425) 15.410 15.018 ( 3.228 -5.927 -2.036) 7.049 15.018 ( 3.228 -5.927 2.036) 7.049 15.145 ( -3.677 -7.985 -1.725) 8.959 15.145 ( -3.677 -7.985 1.725) 8.959 16.045 ( 6.591 5.715 -2.478) 9.069 16.045 ( 6.591 5.715 2.478) 9.069 16.331 ( -3.501 -2.652 -2.219) 4.921 16.331 ( -3.501 -2.652 2.219) 4.921 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 0.000 -0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 -0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 -0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 -0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 -0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 -0.000 -0.000) 0.000 3.045 ( 0.000 -0.000 0.000) 0.000 3.237 ( 0.000 0.000 -0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 -0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 -0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 -0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 -0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 -0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 -0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 -0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 -0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 -0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 -0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 -0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 -0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 -0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 -0.000 -0.000) 0.000 6.939 ( 0.000 -0.000 0.000) 0.000 7.665 ( 0.000 0.000 -0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 -0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 -0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 -0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 -0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 -0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 -0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 -0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 -0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 -0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 -0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 -0.000) 0.000 11.711 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 -0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 -0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 -0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 15.189 ( 0.000 0.000 -0.000) 0.000 15.189 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 -0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 -0.000) 0.000 16.429 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.475 0.000 -0.000) 2.475 2.048 ( 2.475 0.000 0.000) 2.475 2.205 ( -2.271 0.000 -0.000) 2.271 2.205 ( -2.271 0.000 0.000) 2.271 2.705 ( -5.863 0.000 -0.000) 5.863 2.705 ( -5.863 0.000 0.000) 5.863 2.900 ( -3.427 0.000 -0.000) 3.427 2.900 ( -3.427 0.000 0.000) 3.427 3.018 ( -1.513 0.000 -0.000) 1.513 3.018 ( -1.513 0.000 0.000) 1.513 3.070 ( 5.958 0.000 -0.000) 5.958 3.070 ( 5.958 0.000 0.000) 5.958 3.291 ( 5.943 0.000 -0.000) 5.943 3.291 ( 5.943 0.000 0.000) 5.943 3.489 ( 3.104 0.000 -0.000) 3.104 3.489 ( 3.104 0.000 0.000) 3.104 3.663 ( -1.481 0.000 -0.000) 1.481 3.663 ( -1.481 0.000 0.000) 1.481 3.805 ( -2.219 0.000 -0.000) 2.219 3.805 ( -2.219 0.000 0.000) 2.219 4.310 ( -3.656 0.000 -0.000) 3.656 4.310 ( -3.656 0.000 0.000) 3.656 4.458 ( -3.829 0.000 -0.000) 3.829 4.458 ( -3.829 0.000 0.000) 3.829 4.685 ( 5.252 0.000 -0.000) 5.252 4.685 ( 5.252 0.000 0.000) 5.252 4.845 ( 1.203 0.000 -0.000) 1.203 4.845 ( 1.203 0.000 0.000) 1.203 5.006 ( 3.816 0.000 -0.000) 3.816 5.006 ( 3.816 0.000 0.000) 3.816 5.363 ( -7.897 0.000 -0.000) 7.897 5.363 ( -7.897 0.000 0.000) 7.897 5.675 ( 5.863 0.000 -0.000) 5.863 5.675 ( 5.863 0.000 0.000) 5.863 5.741 ( 1.129 0.000 -0.000) 1.129 5.741 ( 1.129 0.000 0.000) 1.129 6.430 ( 0.451 0.000 -0.000) 0.451 6.430 ( 0.451 0.000 0.000) 0.451 6.450 ( 2.217 0.000 -0.000) 2.217 6.450 ( 2.217 0.000 0.000) 2.217 6.937 ( 0.248 0.000 -0.000) 0.248 6.937 ( 0.248 0.000 0.000) 0.248 6.951 ( 4.337 -0.000 -0.000) 4.337 6.951 ( 4.337 -0.000 0.000) 4.337 7.694 ( 3.257 0.000 -0.000) 3.257 7.694 ( 3.257 0.000 0.000) 3.257 7.902 ( 0.717 0.000 -0.000) 0.717 7.902 ( 0.717 0.000 0.000) 0.717 8.130 ( 1.485 0.000 -0.000) 1.485 8.130 ( 1.485 0.000 0.000) 1.485 8.200 ( -0.201 0.000 -0.000) 0.201 8.200 ( -0.201 0.000 0.000) 0.201 8.931 ( -8.506 0.000 -0.000) 8.506 8.931 ( -8.506 0.000 0.000) 8.506 9.038 ( -9.678 0.000 -0.000) 9.678 9.038 ( -9.678 0.000 0.000) 9.678 9.380 ( 8.809 0.000 -0.000) 8.809 9.380 ( 8.809 0.000 0.000) 8.809 9.659 ( 2.619 0.000 -0.000) 2.619 9.659 ( 2.619 0.000 0.000) 2.619 10.127 ( 3.045 0.000 -0.000) 3.045 10.127 ( 3.045 0.000 0.000) 3.045 10.528 ( -6.995 0.000 -0.000) 6.995 10.528 ( -6.995 0.000 0.000) 6.995 10.726 ( -0.834 0.000 -0.000) 0.834 10.726 ( -0.834 0.000 0.000) 0.834 10.811 ( -3.075 0.000 -0.000) 3.075 10.811 ( -3.075 0.000 0.000) 3.075 11.729 ( 1.693 0.000 -0.000) 1.693 11.729 ( 1.693 0.000 0.000) 1.693 11.866 ( -1.965 0.000 -0.000) 1.965 11.866 ( -1.965 0.000 0.000) 1.965 12.180 ( 10.459 0.000 -0.000) 10.459 12.180 ( 10.459 0.000 0.000) 10.459 13.122 ( -13.114 0.000 -0.000) 13.114 13.122 ( -13.114 0.000 0.000) 13.114 14.882 ( 2.821 0.000 -0.000) 2.821 14.882 ( 2.821 0.000 0.000) 2.821 15.153 ( -3.449 0.000 -0.000) 3.449 15.153 ( -3.449 0.000 0.000) 3.449 15.908 ( 8.942 0.000 -0.000) 8.942 15.908 ( 8.942 0.000 0.000) 8.942 16.397 ( -3.241 0.000 -0.000) 3.241 16.397 ( -3.241 0.000 0.000) 3.241 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 2.578 -0.000 -0.000) 2.578 2.102 ( 2.578 0.000 0.000) 2.578 2.153 ( -2.674 0.000 -0.000) 2.674 2.153 ( -2.674 0.000 0.000) 2.674 2.662 ( 1.989 0.000 -0.000) 1.989 2.662 ( 1.989 0.000 0.000) 1.989 2.769 ( -7.650 0.000 -0.000) 7.650 2.769 ( -7.650 0.000 0.000) 7.650 3.045 ( 3.371 0.000 -0.000) 3.371 3.045 ( 3.371 0.000 0.000) 3.371 3.108 ( -1.770 -0.000 -0.000) 1.770 3.108 ( -1.770 -0.000 0.000) 1.770 3.447 ( 8.504 0.000 -0.000) 8.504 3.447 ( 8.504 0.000 0.000) 8.504 3.577 ( 0.059 0.000 -0.000) 0.059 3.577 ( 0.059 0.000 0.000) 0.059 3.619 ( 1.458 0.000 -0.000) 1.458 3.619 ( 1.458 0.000 0.000) 1.458 3.730 ( -5.237 0.000 -0.000) 5.237 3.730 ( -5.237 0.000 0.000) 5.237 4.278 ( 1.325 0.000 -0.000) 1.325 4.278 ( 1.325 0.000 0.000) 1.325 4.357 ( -5.568 0.000 -0.000) 5.568 4.357 ( -5.568 0.000 0.000) 5.568 4.786 ( 4.398 0.000 -0.000) 4.398 4.786 ( 4.398 0.000 0.000) 4.398 4.847 ( -1.426 0.000 -0.000) 1.426 4.847 ( -1.426 0.000 0.000) 1.426 5.104 ( 5.640 0.000 -0.000) 5.640 5.104 ( 5.640 0.000 0.000) 5.640 5.222 ( -6.249 0.000 -0.000) 6.249 5.222 ( -6.249 0.000 0.000) 6.249 5.754 ( 2.049 0.000 -0.000) 2.049 5.754 ( 2.049 0.000 0.000) 2.049 5.764 ( 0.748 0.000 -0.000) 0.748 5.764 ( 0.748 0.000 0.000) 0.748 6.452 ( 1.564 0.000 -0.000) 1.564 6.452 ( 1.564 0.000 0.000) 1.564 6.475 ( -0.169 0.000 -0.000) 0.169 6.475 ( -0.169 0.000 0.000) 0.169 6.966 ( 2.594 -0.000 -0.000) 2.594 6.966 ( 2.594 -0.000 0.000) 2.594 7.004 ( 0.011 0.000 -0.000) 0.011 7.004 ( 0.011 0.000 0.000) 0.011 7.800 ( 6.507 0.000 -0.000) 6.507 7.800 ( 6.507 0.000 0.000) 6.507 7.896 ( -2.229 0.000 -0.000) 2.229 7.896 ( -2.229 0.000 0.000) 2.229 8.163 ( 1.642 0.000 -0.000) 1.642 8.163 ( 1.642 0.000 0.000) 1.642 8.190 ( -0.948 0.000 -0.000) 0.948 8.190 ( -0.948 0.000 0.000) 0.948 8.799 ( -3.130 0.000 -0.000) 3.130 8.799 ( -3.130 0.000 0.000) 3.130 8.845 ( -7.524 -0.000 -0.000) 7.524 8.845 ( -7.524 -0.000 0.000) 7.524 9.558 ( 8.209 0.000 -0.000) 8.209 9.558 ( 8.209 0.000 0.000) 8.209 9.670 ( -2.355 0.000 -0.000) 2.355 9.670 ( -2.355 0.000 0.000) 2.355 10.213 ( 5.628 0.000 -0.000) 5.628 10.213 ( 5.628 0.000 0.000) 5.628 10.358 ( -8.760 0.000 -0.000) 8.760 10.358 ( -8.760 0.000 0.000) 8.760 10.719 ( 0.435 0.000 -0.000) 0.435 10.719 ( 0.435 0.000 0.000) 0.435 10.750 ( -2.584 0.000 -0.000) 2.584 10.750 ( -2.584 0.000 0.000) 2.584 11.771 ( 2.416 0.000 -0.000) 2.416 11.771 ( 2.416 0.000 0.000) 2.416 11.821 ( -2.463 0.000 -0.000) 2.463 11.821 ( -2.463 0.000 0.000) 2.463 12.453 ( 16.145 0.000 -0.000) 16.145 12.453 ( 16.145 0.000 0.000) 16.145 12.799 ( -17.817 0.000 -0.000) 17.817 12.799 ( -17.817 0.000 0.000) 17.817 14.960 ( 4.807 0.000 -0.000) 4.807 14.960 ( 4.807 0.000 0.000) 4.807 15.063 ( -5.174 0.000 -0.000) 5.174 15.063 ( -5.174 0.000 0.000) 5.174 16.113 ( 10.428 0.000 -0.000) 10.428 16.113 ( 10.428 0.000 0.000) 10.428 16.294 ( -7.222 0.000 -0.000) 7.222 16.294 ( -7.222 0.000 0.000) 7.222 =================== 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 3/23520 10.0 583.625 1048.090 769.019 0.000 0.000 0.000 3/23520 20.0 80.613 145.995 97.034 0.000 0.000 0.000 3/23520 30.0 30.175 60.219 33.804 0.000 0.000 0.000 3/23520 40.0 16.409 35.629 17.889 0.000 0.000 0.000 3/23520 50.0 10.739 24.662 11.592 0.000 0.000 0.000 3/23520 60.0 7.809 18.587 8.398 0.000 0.000 0.000 3/23520 70.0 6.071 14.791 6.518 0.000 0.000 0.000 3/23520 80.0 4.941 12.230 5.299 0.000 0.000 0.000 3/23520 90.0 4.159 10.405 4.455 0.000 0.000 0.000 3/23520 100.0 3.591 9.049 3.839 0.000 0.000 0.000 3/23520 110.0 3.161 8.008 3.373 0.000 0.000 0.000 3/23520 120.0 2.825 7.186 3.009 0.000 0.000 0.000 3/23520 130.0 2.557 6.523 2.717 0.000 0.000 0.000 3/23520 140.0 2.337 5.976 2.478 0.000 0.000 0.000 3/23520 150.0 2.154 5.518 2.279 0.000 0.000 0.000 3/23520 160.0 1.999 5.128 2.111 0.000 0.000 0.000 3/23520 170.0 1.866 4.793 1.966 0.000 0.000 0.000 3/23520 180.0 1.750 4.501 1.841 0.000 0.000 0.000 3/23520 190.0 1.649 4.244 1.731 0.000 0.000 0.000 3/23520 200.0 1.559 4.017 1.634 0.000 0.000 0.000 3/23520 210.0 1.479 3.813 1.547 0.000 0.000 0.000 3/23520 220.0 1.407 3.631 1.470 0.000 0.000 0.000 3/23520 230.0 1.342 3.465 1.400 0.000 0.000 0.000 3/23520 240.0 1.283 3.315 1.337 0.000 0.000 0.000 3/23520 250.0 1.230 3.178 1.279 0.000 0.000 0.000 3/23520 260.0 1.180 3.052 1.227 0.000 0.000 0.000 3/23520 270.0 1.135 2.936 1.178 0.000 0.000 0.000 3/23520 280.0 1.093 2.828 1.134 0.000 0.000 0.000 3/23520 290.0 1.054 2.729 1.092 0.000 0.000 0.000 3/23520 300.0 1.018 2.636 1.054 0.000 0.000 0.000 3/23520 310.0 0.984 2.550 1.018 0.000 0.000 0.000 3/23520 320.0 0.953 2.469 0.985 0.000 0.000 0.000 3/23520 330.0 0.923 2.393 0.954 0.000 0.000 0.000 3/23520 340.0 0.896 2.322 0.925 0.000 0.000 0.000 3/23520 350.0 0.869 2.255 0.897 0.000 0.000 0.000 3/23520 360.0 0.845 2.192 0.871 0.000 0.000 0.000 3/23520 370.0 0.822 2.132 0.847 0.000 0.000 0.000 3/23520 380.0 0.800 2.076 0.824 0.000 0.000 0.000 3/23520 390.0 0.779 2.022 0.802 0.000 0.000 0.000 3/23520 400.0 0.759 1.971 0.781 0.000 0.000 0.000 3/23520 410.0 0.741 1.923 0.762 0.000 0.000 0.000 3/23520 420.0 0.723 1.877 0.743 0.000 0.000 0.000 3/23520 430.0 0.706 1.833 0.726 0.000 0.000 0.000 3/23520 440.0 0.689 1.791 0.709 0.000 0.000 0.000 3/23520 450.0 0.674 1.752 0.693 0.000 0.000 0.000 3/23520 460.0 0.659 1.713 0.677 0.000 0.000 0.000 3/23520 470.0 0.645 1.677 0.662 0.000 0.000 0.000 3/23520 480.0 0.632 1.642 0.648 0.000 0.000 0.000 3/23520 490.0 0.619 1.608 0.635 0.000 0.000 0.000 3/23520 500.0 0.606 1.576 0.622 0.000 0.000 0.000 3/23520 510.0 0.594 1.545 0.610 0.000 0.000 0.000 3/23520 520.0 0.583 1.515 0.598 0.000 0.000 0.000 3/23520 530.0 0.572 1.487 0.586 0.000 0.000 0.000 3/23520 540.0 0.561 1.459 0.575 0.000 0.000 0.000 3/23520 550.0 0.551 1.433 0.565 0.000 0.000 0.000 3/23520 560.0 0.541 1.407 0.554 0.000 0.000 0.000 3/23520 570.0 0.531 1.382 0.544 0.000 0.000 0.000 3/23520 580.0 0.522 1.359 0.535 0.000 0.000 0.000 3/23520 590.0 0.513 1.335 0.526 0.000 0.000 0.000 3/23520 600.0 0.505 1.313 0.517 0.000 0.000 0.000 3/23520 610.0 0.496 1.292 0.508 0.000 0.000 0.000 3/23520 620.0 0.488 1.271 0.500 0.000 0.000 0.000 3/23520 630.0 0.481 1.251 0.492 0.000 0.000 0.000 3/23520 640.0 0.473 1.231 0.484 0.000 0.000 0.000 3/23520 650.0 0.466 1.212 0.477 0.000 0.000 0.000 3/23520 660.0 0.459 1.194 0.469 0.000 0.000 0.000 3/23520 670.0 0.452 1.176 0.462 0.000 0.000 0.000 3/23520 680.0 0.445 1.159 0.455 0.000 0.000 0.000 3/23520 690.0 0.439 1.142 0.449 0.000 0.000 0.000 3/23520 700.0 0.432 1.126 0.442 0.000 0.000 0.000 3/23520 710.0 0.426 1.110 0.436 0.000 0.000 0.000 3/23520 720.0 0.420 1.094 0.430 0.000 0.000 0.000 3/23520 730.0 0.415 1.079 0.424 0.000 0.000 0.000 3/23520 740.0 0.409 1.065 0.418 0.000 0.000 0.000 3/23520 750.0 0.403 1.051 0.413 0.000 0.000 0.000 3/23520 760.0 0.398 1.037 0.407 0.000 0.000 0.000 3/23520 770.0 0.393 1.023 0.402 0.000 0.000 0.000 3/23520 780.0 0.388 1.010 0.397 0.000 0.000 0.000 3/23520 790.0 0.383 0.997 0.392 0.000 0.000 0.000 3/23520 800.0 0.378 0.985 0.387 0.000 0.000 0.000 3/23520 810.0 0.373 0.973 0.382 0.000 0.000 0.000 3/23520 820.0 0.369 0.961 0.377 0.000 0.000 0.000 3/23520 830.0 0.364 0.949 0.373 0.000 0.000 0.000 3/23520 840.0 0.360 0.938 0.368 0.000 0.000 0.000 3/23520 850.0 0.356 0.927 0.364 0.000 0.000 0.000 3/23520 860.0 0.352 0.916 0.359 0.000 0.000 0.000 3/23520 870.0 0.348 0.906 0.355 0.000 0.000 0.000 3/23520 880.0 0.344 0.896 0.351 0.000 0.000 0.000 3/23520 890.0 0.340 0.885 0.347 0.000 0.000 0.000 3/23520 900.0 0.336 0.876 0.343 0.000 0.000 0.000 3/23520 910.0 0.332 0.866 0.340 0.000 0.000 0.000 3/23520 920.0 0.329 0.857 0.336 0.000 0.000 0.000 3/23520 930.0 0.325 0.847 0.332 0.000 0.000 0.000 3/23520 940.0 0.322 0.838 0.329 0.000 0.000 0.000 3/23520 950.0 0.318 0.830 0.325 0.000 0.000 0.000 3/23520 960.0 0.315 0.821 0.322 0.000 0.000 0.000 3/23520 970.0 0.312 0.812 0.318 0.000 0.000 0.000 3/23520 980.0 0.309 0.804 0.315 0.000 0.000 0.000 3/23520 990.0 0.305 0.796 0.312 0.000 0.000 0.000 3/23520 1000.0 0.302 0.788 0.309 0.000 0.000 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:23:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|