----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:11:33]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.104805351339815 1.792560205377429 9.799768929999988 b -3.104805351339809 1.792560205377429 9.799768929999988 c 0.000000000000003 -3.585120410754864 9.799768929999988 Atomic positions (fractional): *1 Lu 0.66420786992834 0.66420786992834 0.66420786992834 174.967 2 Lu 0.83579213007166 0.83579213007166 0.83579213007166 174.967 3 Lu 0.33579213007166 0.33579213007166 0.33579213007166 174.967 4 Lu 0.16420786992834 0.16420786992834 0.16420786992834 174.967 *5 C 0.45553048021914 0.04446951978086 0.75000000000000 12.011 6 C 0.54446951978086 0.95553048021914 0.25000000000000 12.011 7 C 0.95553048021914 0.25000000000000 0.54446951978086 12.011 8 C 0.25000000000000 0.54446951978086 0.95553048021914 12.011 9 C 0.75000000000000 0.45553048021914 0.04446951978086 12.011 10 C 0.04446951978086 0.75000000000000 0.45553048021914 12.011 *11 N 0.04280716848802 0.86511413235613 0.46035488405547 14.007 12 N 0.96035488405547 0.36511413235613 0.54280716848802 14.007 13 N 0.46035488405547 0.04280716848802 0.86511413235613 14.007 14 N 0.53964511594453 0.95719283151198 0.13488586764387 14.007 15 N 0.45719283151198 0.03964511594453 0.63488586764387 14.007 16 N 0.63488586764387 0.45719283151198 0.03964511594453 14.007 17 N 0.03964511594453 0.63488586764387 0.45719283151198 14.007 18 N 0.54280716848802 0.96035488405547 0.36511413235613 14.007 19 N 0.95719283151198 0.13488586764387 0.53964511594453 14.007 20 N 0.36511413235613 0.54280716848802 0.96035488405547 14.007 21 N 0.86511413235613 0.46035488405547 0.04280716848802 14.007 22 N 0.13488586764387 0.53964511594453 0.95719283151198 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.209610702679624 0.000000000000000 0.000000000000000 b -3.104805351339812 5.377680616132293 0.000000000000000 c 0.000000000000000 0.000000000000000 29.399306789999997 Atomic positions (fractional): *1 Lu 0.33333333333333 0.66666666666667 0.33087453659500 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.16912546340500 174.967 > 2 3 Lu 0.33333333333333 0.66666666666667 0.00245879673833 174.967 > 3 4 Lu 0.00000000000000 0.00000000000000 0.16420786992834 174.967 > 4 5 Lu 0.00000000000000 0.00000000000000 0.66420786992834 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.50245879673833 174.967 > 2 7 Lu 0.00000000000000 0.00000000000000 0.33579213007166 174.967 > 3 8 Lu 0.66666666666667 0.33333333333333 0.49754120326167 174.967 > 4 9 Lu 0.66666666666667 0.33333333333333 0.99754120326167 174.967 > 1 10 Lu 0.00000000000000 0.00000000000000 0.83579213007166 174.967 > 2 11 Lu 0.66666666666667 0.33333333333333 0.66912546340500 174.967 > 3 12 Lu 0.33333333333333 0.66666666666667 0.83087453659500 174.967 > 4 *13 C 0.37219714688581 0.33333333333333 0.08333333333333 12.011 > 5 14 C 0.29446951978086 0.00000000000000 0.25000000000000 12.011 > 6 15 C 0.70553048021914 0.70553048021914 0.25000000000000 12.011 > 7 16 C 0.00000000000000 0.29446951978086 0.25000000000000 12.011 > 8 17 C 0.66666666666667 0.03886381355247 0.08333333333333 12.011 > 9 18 C 0.96113618644753 0.62780285311419 0.08333333333333 12.011 > 10 19 C 0.03886381355247 0.66666666666667 0.41666666666667 12.011 > 5 20 C 0.96113618644753 0.33333333333333 0.58333333333333 12.011 > 6 21 C 0.37219714688581 0.03886381355247 0.58333333333333 12.011 > 7 22 C 0.66666666666667 0.62780285311419 0.58333333333333 12.011 > 8 23 C 0.33333333333333 0.37219714688581 0.41666666666667 12.011 > 9 24 C 0.62780285311420 0.96113618644753 0.41666666666667 12.011 > 10 25 C 0.70553048021914 0.00000000000000 0.75000000000000 12.011 > 5 26 C 0.62780285311419 0.66666666666667 0.91666666666667 12.011 > 6 27 C 0.03886381355247 0.37219714688581 0.91666666666667 12.011 > 7 28 C 0.33333333333333 0.96113618644753 0.91666666666667 12.011 > 8 29 C 0.00000000000000 0.70553048021914 0.75000000000000 12.011 > 9 30 C 0.29446951978086 0.29446951978086 0.75000000000000 12.011 > 10 *31 N 0.92004844018815 0.66240384424440 0.12275872829987 14.007 > 11 32 N 0.67092948908893 0.74661822647852 0.28942539496654 14.007 > 12 33 N 0.33759615575560 0.25764459594374 0.12275872829987 14.007 > 13 34 N 0.32907051091107 0.07568873738959 0.21057460503346 14.007 > 14 35 N 0.41328489314519 0.40902207072293 0.04390793836679 14.007 > 15 36 N 0.59097792927708 0.00426282242226 0.04390793836679 14.007 > 16 37 N 0.99573717757774 0.58671510685481 0.04390793836679 14.007 > 17 38 N 0.25338177352148 0.92431126261041 0.28942539496654 14.007 > 18 39 N 0.74661822647852 0.67092948908893 0.21057460503346 14.007 > 19 40 N 0.07568873738959 0.32907051091107 0.28942539496654 14.007 > 20 41 N 0.74235540405626 0.07995155981186 0.12275872829987 14.007 > 21 42 N 0.92431126261041 0.25338177352148 0.21057460503346 14.007 > 22 43 N 0.58671510685481 0.99573717757774 0.45609206163320 14.007 > 11 44 N 0.33759615575560 0.07995155981186 0.62275872829987 14.007 > 12 45 N 0.00426282242226 0.59097792927708 0.45609206163320 14.007 > 13 46 N 0.99573717757774 0.40902207072293 0.54390793836679 14.007 > 14 47 N 0.07995155981186 0.74235540405626 0.37724127170013 14.007 > 15 48 N 0.25764459594374 0.33759615575560 0.37724127170013 14.007 > 16 49 N 0.66240384424440 0.92004844018814 0.37724127170013 14.007 > 17 50 N 0.92004844018814 0.25764459594374 0.62275872829987 14.007 > 18 51 N 0.41328489314519 0.00426282242226 0.54390793836679 14.007 > 19 52 N 0.74235540405626 0.66240384424440 0.62275872829987 14.007 > 20 53 N 0.40902207072293 0.41328489314519 0.45609206163320 14.007 > 21 54 N 0.59097792927708 0.58671510685481 0.54390793836679 14.007 > 22 55 N 0.25338177352148 0.32907051091107 0.78942539496654 14.007 > 11 56 N 0.00426282242226 0.41328489314519 0.95609206163321 14.007 > 12 57 N 0.67092948908893 0.92431126261041 0.78942539496654 14.007 > 13 58 N 0.66240384424440 0.74235540405626 0.87724127170013 14.007 > 14 59 N 0.74661822647852 0.07568873738959 0.71057460503346 14.007 > 15 60 N 0.92431126261041 0.67092948908893 0.71057460503346 14.007 > 16 61 N 0.32907051091107 0.25338177352148 0.71057460503346 14.007 > 17 62 N 0.58671510685481 0.59097792927708 0.95609206163321 14.007 > 18 63 N 0.07995155981186 0.33759615575560 0.87724127170013 14.007 > 19 64 N 0.40902207072293 0.99573717757774 0.95609206163321 14.007 > 20 65 N 0.07568873738959 0.74661822647852 0.78942539496654 14.007 > 21 66 N 0.25764459594374 0.92004844018814 0.87724127170013 14.007 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.209610702679624 0.000000000000000 0.000000000000000 b -3.104805351339812 5.377680616132293 0.000000000000000 c 0.000000000000000 0.000000000000000 29.399306789999997 Atomic positions (fractional): *1 Lu 0.33333333333333 0.66666666666667 0.33087453659500 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.16912546340500 174.967 > 2 3 Lu 0.33333333333333 0.66666666666667 0.00245879673833 174.967 > 3 4 Lu 0.00000000000000 0.00000000000000 0.16420786992834 174.967 > 4 5 Lu 0.00000000000000 0.00000000000000 0.66420786992834 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.50245879673833 174.967 > 2 7 Lu 0.00000000000000 0.00000000000000 0.33579213007166 174.967 > 3 8 Lu 0.66666666666667 0.33333333333333 0.49754120326167 174.967 > 4 9 Lu 0.66666666666667 0.33333333333333 0.99754120326167 174.967 > 1 10 Lu 0.00000000000000 0.00000000000000 0.83579213007166 174.967 > 2 11 Lu 0.66666666666667 0.33333333333333 0.66912546340500 174.967 > 3 12 Lu 0.33333333333333 0.66666666666667 0.83087453659500 174.967 > 4 *13 C 0.37219714688581 0.33333333333333 0.08333333333333 12.011 > 5 14 C 0.29446951978086 0.00000000000000 0.25000000000000 12.011 > 6 15 C 0.70553048021914 0.70553048021914 0.25000000000000 12.011 > 7 16 C 0.00000000000000 0.29446951978086 0.25000000000000 12.011 > 8 17 C 0.66666666666667 0.03886381355247 0.08333333333333 12.011 > 9 18 C 0.96113618644753 0.62780285311419 0.08333333333333 12.011 > 10 19 C 0.03886381355247 0.66666666666667 0.41666666666667 12.011 > 5 20 C 0.96113618644753 0.33333333333333 0.58333333333333 12.011 > 6 21 C 0.37219714688581 0.03886381355247 0.58333333333333 12.011 > 7 22 C 0.66666666666667 0.62780285311419 0.58333333333333 12.011 > 8 23 C 0.33333333333333 0.37219714688581 0.41666666666667 12.011 > 9 24 C 0.62780285311420 0.96113618644753 0.41666666666667 12.011 > 10 25 C 0.70553048021914 0.00000000000000 0.75000000000000 12.011 > 5 26 C 0.62780285311419 0.66666666666667 0.91666666666667 12.011 > 6 27 C 0.03886381355247 0.37219714688581 0.91666666666667 12.011 > 7 28 C 0.33333333333333 0.96113618644753 0.91666666666667 12.011 > 8 29 C 0.00000000000000 0.70553048021914 0.75000000000000 12.011 > 9 30 C 0.29446951978086 0.29446951978086 0.75000000000000 12.011 > 10 *31 N 0.92004844018815 0.66240384424440 0.12275872829987 14.007 > 11 32 N 0.67092948908893 0.74661822647852 0.28942539496654 14.007 > 12 33 N 0.33759615575560 0.25764459594374 0.12275872829987 14.007 > 13 34 N 0.32907051091107 0.07568873738959 0.21057460503346 14.007 > 14 35 N 0.41328489314519 0.40902207072293 0.04390793836679 14.007 > 15 36 N 0.59097792927708 0.00426282242226 0.04390793836679 14.007 > 16 37 N 0.99573717757774 0.58671510685481 0.04390793836679 14.007 > 17 38 N 0.25338177352148 0.92431126261041 0.28942539496654 14.007 > 18 39 N 0.74661822647852 0.67092948908893 0.21057460503346 14.007 > 19 40 N 0.07568873738959 0.32907051091107 0.28942539496654 14.007 > 20 41 N 0.74235540405626 0.07995155981186 0.12275872829987 14.007 > 21 42 N 0.92431126261041 0.25338177352148 0.21057460503346 14.007 > 22 43 N 0.58671510685481 0.99573717757774 0.45609206163320 14.007 > 11 44 N 0.33759615575560 0.07995155981186 0.62275872829987 14.007 > 12 45 N 0.00426282242226 0.59097792927708 0.45609206163320 14.007 > 13 46 N 0.99573717757774 0.40902207072293 0.54390793836679 14.007 > 14 47 N 0.07995155981186 0.74235540405626 0.37724127170013 14.007 > 15 48 N 0.25764459594374 0.33759615575560 0.37724127170013 14.007 > 16 49 N 0.66240384424440 0.92004844018814 0.37724127170013 14.007 > 17 50 N 0.92004844018814 0.25764459594374 0.62275872829987 14.007 > 18 51 N 0.41328489314519 0.00426282242226 0.54390793836679 14.007 > 19 52 N 0.74235540405626 0.66240384424440 0.62275872829987 14.007 > 20 53 N 0.40902207072293 0.41328489314519 0.45609206163320 14.007 > 21 54 N 0.59097792927708 0.58671510685481 0.54390793836679 14.007 > 22 55 N 0.25338177352148 0.32907051091107 0.78942539496654 14.007 > 11 56 N 0.00426282242226 0.41328489314519 0.95609206163321 14.007 > 12 57 N 0.67092948908893 0.92431126261041 0.78942539496654 14.007 > 13 58 N 0.66240384424440 0.74235540405626 0.87724127170013 14.007 > 14 59 N 0.74661822647852 0.07568873738959 0.71057460503346 14.007 > 15 60 N 0.92431126261041 0.67092948908893 0.71057460503346 14.007 > 16 61 N 0.32907051091107 0.25338177352148 0.71057460503346 14.007 > 17 62 N 0.58671510685481 0.59097792927708 0.95609206163321 14.007 > 18 63 N 0.07995155981186 0.33759615575560 0.87724127170013 14.007 > 19 64 N 0.40902207072293 0.99573717757774 0.95609206163321 14.007 > 20 65 N 0.07568873738959 0.74661822647852 0.78942539496654 14.007 > 21 66 N 0.25764459594374 0.92004844018814 0.87724127170013 14.007 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0103150 -0.0000000 0.0000000 0.0000000 3.0103150 0.0000000 0.0000000 0.0000000 5.4487974 -------------------------- Born effective charges -------------------------- 1 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 2 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 3 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 4 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 5 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 6 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 7 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 8 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 9 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 10 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 11 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 12 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 13 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 14 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 15 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 16 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 17 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 18 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 19 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 20 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 21 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 22 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8265/8265 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 589 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (589, 572), data: False |-- (81, 78), data: True |-- (234, 228), data: True |-- (274, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.319 Solver_block: 200 / 240 - Time: 0.322 Solver_block: 240 / 240 - Time: 0.146 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.799 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 198/198 Permutation basis: 8265/8265 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 589 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (589, 572), data: False |-- (81, 78), data: True |-- (234, 228), data: True |-- (274, 266), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:11:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:11:41]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.104805351339815 1.792560205377429 9.799768929999988 b -3.104805351339809 1.792560205377429 9.799768929999988 c 0.000000000000003 -3.585120410754864 9.799768929999988 Atomic positions (fractional): 1 Lu 0.66420786992834 0.66420786992834 0.66420786992834 174.967 2 Lu 0.83579213007166 0.83579213007166 0.83579213007166 174.967 3 Lu 0.33579213007166 0.33579213007166 0.33579213007166 174.967 4 Lu 0.16420786992834 0.16420786992834 0.16420786992834 174.967 5 C 0.45553048021914 0.04446951978086 0.75000000000000 12.011 6 C 0.54446951978086 0.95553048021914 0.25000000000000 12.011 7 C 0.95553048021914 0.25000000000000 0.54446951978086 12.011 8 C 0.25000000000000 0.54446951978086 0.95553048021914 12.011 9 C 0.75000000000000 0.45553048021914 0.04446951978086 12.011 10 C 0.04446951978086 0.75000000000000 0.45553048021914 12.011 11 N 0.04280716848802 0.86511413235613 0.46035488405547 14.007 12 N 0.96035488405547 0.36511413235613 0.54280716848802 14.007 13 N 0.46035488405547 0.04280716848802 0.86511413235613 14.007 14 N 0.53964511594453 0.95719283151198 0.13488586764387 14.007 15 N 0.45719283151198 0.03964511594453 0.63488586764387 14.007 16 N 0.63488586764387 0.45719283151198 0.03964511594453 14.007 17 N 0.03964511594453 0.63488586764387 0.45719283151198 14.007 18 N 0.54280716848802 0.96035488405547 0.36511413235613 14.007 19 N 0.95719283151198 0.13488586764387 0.53964511594453 14.007 20 N 0.36511413235613 0.54280716848802 0.96035488405547 14.007 21 N 0.86511413235613 0.46035488405547 0.04280716848802 14.007 22 N 0.13488586764387 0.53964511594453 0.95719283151198 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.209610702679624 0.000000000000000 0.000000000000000 b -3.104805351339812 5.377680616132293 0.000000000000000 c 0.000000000000000 0.000000000000000 29.399306789999997 Atomic positions (fractional): 1 Lu 0.33333333333333 0.66666666666667 0.33087453659500 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.16912546340500 174.967 > 2 3 Lu 0.33333333333333 0.66666666666667 0.00245879673833 174.967 > 3 4 Lu 0.00000000000000 0.00000000000000 0.16420786992834 174.967 > 4 5 Lu 0.00000000000000 0.00000000000000 0.66420786992834 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.50245879673833 174.967 > 2 7 Lu 0.00000000000000 0.00000000000000 0.33579213007166 174.967 > 3 8 Lu 0.66666666666667 0.33333333333333 0.49754120326167 174.967 > 4 9 Lu 0.66666666666667 0.33333333333333 0.99754120326167 174.967 > 1 10 Lu 0.00000000000000 0.00000000000000 0.83579213007166 174.967 > 2 11 Lu 0.66666666666667 0.33333333333333 0.66912546340500 174.967 > 3 12 Lu 0.33333333333333 0.66666666666667 0.83087453659500 174.967 > 4 13 C 0.37219714688581 0.33333333333333 0.08333333333333 12.011 > 13 14 C 0.29446951978086 0.00000000000000 0.25000000000000 12.011 > 14 15 C 0.70553048021914 0.70553048021914 0.25000000000000 12.011 > 15 16 C 0.00000000000000 0.29446951978086 0.25000000000000 12.011 > 16 17 C 0.66666666666667 0.03886381355247 0.08333333333333 12.011 > 17 18 C 0.96113618644753 0.62780285311419 0.08333333333333 12.011 > 18 19 C 0.03886381355247 0.66666666666667 0.41666666666667 12.011 > 13 20 C 0.96113618644753 0.33333333333333 0.58333333333333 12.011 > 14 21 C 0.37219714688581 0.03886381355247 0.58333333333333 12.011 > 15 22 C 0.66666666666667 0.62780285311419 0.58333333333333 12.011 > 16 23 C 0.33333333333333 0.37219714688581 0.41666666666667 12.011 > 17 24 C 0.62780285311420 0.96113618644753 0.41666666666667 12.011 > 18 25 C 0.70553048021914 0.00000000000000 0.75000000000000 12.011 > 13 26 C 0.62780285311419 0.66666666666667 0.91666666666667 12.011 > 14 27 C 0.03886381355247 0.37219714688581 0.91666666666667 12.011 > 15 28 C 0.33333333333333 0.96113618644753 0.91666666666667 12.011 > 16 29 C 0.00000000000000 0.70553048021914 0.75000000000000 12.011 > 17 30 C 0.29446951978086 0.29446951978086 0.75000000000000 12.011 > 18 31 N 0.92004844018815 0.66240384424440 0.12275872829987 14.007 > 31 32 N 0.67092948908893 0.74661822647852 0.28942539496654 14.007 > 32 33 N 0.33759615575560 0.25764459594374 0.12275872829987 14.007 > 33 34 N 0.32907051091107 0.07568873738959 0.21057460503346 14.007 > 34 35 N 0.41328489314519 0.40902207072293 0.04390793836679 14.007 > 35 36 N 0.59097792927708 0.00426282242226 0.04390793836679 14.007 > 36 37 N 0.99573717757774 0.58671510685481 0.04390793836679 14.007 > 37 38 N 0.25338177352148 0.92431126261041 0.28942539496654 14.007 > 38 39 N 0.74661822647852 0.67092948908893 0.21057460503346 14.007 > 39 40 N 0.07568873738959 0.32907051091107 0.28942539496654 14.007 > 40 41 N 0.74235540405626 0.07995155981186 0.12275872829987 14.007 > 41 42 N 0.92431126261041 0.25338177352148 0.21057460503346 14.007 > 42 43 N 0.58671510685481 0.99573717757774 0.45609206163320 14.007 > 31 44 N 0.33759615575560 0.07995155981186 0.62275872829987 14.007 > 32 45 N 0.00426282242226 0.59097792927708 0.45609206163320 14.007 > 33 46 N 0.99573717757774 0.40902207072293 0.54390793836679 14.007 > 34 47 N 0.07995155981186 0.74235540405626 0.37724127170013 14.007 > 35 48 N 0.25764459594374 0.33759615575560 0.37724127170013 14.007 > 36 49 N 0.66240384424440 0.92004844018814 0.37724127170013 14.007 > 37 50 N 0.92004844018814 0.25764459594374 0.62275872829987 14.007 > 38 51 N 0.41328489314519 0.00426282242226 0.54390793836679 14.007 > 39 52 N 0.74235540405626 0.66240384424440 0.62275872829987 14.007 > 40 53 N 0.40902207072293 0.41328489314519 0.45609206163320 14.007 > 41 54 N 0.59097792927708 0.58671510685481 0.54390793836679 14.007 > 42 55 N 0.25338177352148 0.32907051091107 0.78942539496654 14.007 > 31 56 N 0.00426282242226 0.41328489314519 0.95609206163321 14.007 > 32 57 N 0.67092948908893 0.92431126261041 0.78942539496654 14.007 > 33 58 N 0.66240384424440 0.74235540405626 0.87724127170013 14.007 > 34 59 N 0.74661822647852 0.07568873738959 0.71057460503346 14.007 > 35 60 N 0.92431126261041 0.67092948908893 0.71057460503346 14.007 > 36 61 N 0.32907051091107 0.25338177352148 0.71057460503346 14.007 > 37 62 N 0.58671510685481 0.59097792927708 0.95609206163321 14.007 > 38 63 N 0.07995155981186 0.33759615575560 0.87724127170013 14.007 > 39 64 N 0.40902207072293 0.99573717757774 0.95609206163321 14.007 > 40 65 N 0.07568873738959 0.74661822647852 0.78942539496654 14.007 > 41 66 N 0.25764459594374 0.92004844018814 0.87724127170013 14.007 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0103150 -0.0000000 0.0000000 0.0000000 3.0103150 0.0000000 0.0000000 0.0000000 5.4487974 -------------------------- Born effective charges -------------------------- 1 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 2 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 3 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 4 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 5 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 6 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 7 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 8 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 9 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 10 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 11 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 12 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 13 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 14 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 15 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 16 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 17 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 18 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 19 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 20 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 21 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 22 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 20:11:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:11:47]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.104805351339815 1.792560205377429 9.799768929999988 b -3.104805351339809 1.792560205377429 9.799768929999988 c 0.000000000000003 -3.585120410754864 9.799768929999988 Atomic positions (fractional): 1 Lu 0.66420786992834 0.66420786992834 0.66420786992834 174.967 2 Lu 0.83579213007166 0.83579213007166 0.83579213007166 174.967 3 Lu 0.33579213007166 0.33579213007166 0.33579213007166 174.967 4 Lu 0.16420786992834 0.16420786992834 0.16420786992834 174.967 5 C 0.45553048021914 0.04446951978086 0.75000000000000 12.011 6 C 0.54446951978086 0.95553048021914 0.25000000000000 12.011 7 C 0.95553048021914 0.25000000000000 0.54446951978086 12.011 8 C 0.25000000000000 0.54446951978086 0.95553048021914 12.011 9 C 0.75000000000000 0.45553048021914 0.04446951978086 12.011 10 C 0.04446951978086 0.75000000000000 0.45553048021914 12.011 11 N 0.04280716848802 0.86511413235613 0.46035488405547 14.007 12 N 0.96035488405547 0.36511413235613 0.54280716848802 14.007 13 N 0.46035488405547 0.04280716848802 0.86511413235613 14.007 14 N 0.53964511594453 0.95719283151198 0.13488586764387 14.007 15 N 0.45719283151198 0.03964511594453 0.63488586764387 14.007 16 N 0.63488586764387 0.45719283151198 0.03964511594453 14.007 17 N 0.03964511594453 0.63488586764387 0.45719283151198 14.007 18 N 0.54280716848802 0.96035488405547 0.36511413235613 14.007 19 N 0.95719283151198 0.13488586764387 0.53964511594453 14.007 20 N 0.36511413235613 0.54280716848802 0.96035488405547 14.007 21 N 0.86511413235613 0.46035488405547 0.04280716848802 14.007 22 N 0.13488586764387 0.53964511594453 0.95719283151198 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.209610702679624 0.000000000000000 0.000000000000000 b -3.104805351339812 5.377680616132293 0.000000000000000 c 0.000000000000000 0.000000000000000 29.399306789999997 Atomic positions (fractional): 1 Lu 0.33333333333333 0.66666666666667 0.33087453659500 174.967 > 1 2 Lu 0.66666666666667 0.33333333333333 0.16912546340500 174.967 > 2 3 Lu 0.33333333333333 0.66666666666667 0.00245879673833 174.967 > 3 4 Lu 0.00000000000000 0.00000000000000 0.16420786992834 174.967 > 4 5 Lu 0.00000000000000 0.00000000000000 0.66420786992834 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.50245879673833 174.967 > 2 7 Lu 0.00000000000000 0.00000000000000 0.33579213007166 174.967 > 3 8 Lu 0.66666666666667 0.33333333333333 0.49754120326167 174.967 > 4 9 Lu 0.66666666666667 0.33333333333333 0.99754120326167 174.967 > 1 10 Lu 0.00000000000000 0.00000000000000 0.83579213007166 174.967 > 2 11 Lu 0.66666666666667 0.33333333333333 0.66912546340500 174.967 > 3 12 Lu 0.33333333333333 0.66666666666667 0.83087453659500 174.967 > 4 13 C 0.37219714688581 0.33333333333333 0.08333333333333 12.011 > 13 14 C 0.29446951978086 0.00000000000000 0.25000000000000 12.011 > 14 15 C 0.70553048021914 0.70553048021914 0.25000000000000 12.011 > 15 16 C 0.00000000000000 0.29446951978086 0.25000000000000 12.011 > 16 17 C 0.66666666666667 0.03886381355247 0.08333333333333 12.011 > 17 18 C 0.96113618644753 0.62780285311419 0.08333333333333 12.011 > 18 19 C 0.03886381355247 0.66666666666667 0.41666666666667 12.011 > 13 20 C 0.96113618644753 0.33333333333333 0.58333333333333 12.011 > 14 21 C 0.37219714688581 0.03886381355247 0.58333333333333 12.011 > 15 22 C 0.66666666666667 0.62780285311419 0.58333333333333 12.011 > 16 23 C 0.33333333333333 0.37219714688581 0.41666666666667 12.011 > 17 24 C 0.62780285311420 0.96113618644753 0.41666666666667 12.011 > 18 25 C 0.70553048021914 0.00000000000000 0.75000000000000 12.011 > 13 26 C 0.62780285311419 0.66666666666667 0.91666666666667 12.011 > 14 27 C 0.03886381355247 0.37219714688581 0.91666666666667 12.011 > 15 28 C 0.33333333333333 0.96113618644753 0.91666666666667 12.011 > 16 29 C 0.00000000000000 0.70553048021914 0.75000000000000 12.011 > 17 30 C 0.29446951978086 0.29446951978086 0.75000000000000 12.011 > 18 31 N 0.92004844018815 0.66240384424440 0.12275872829987 14.007 > 31 32 N 0.67092948908893 0.74661822647852 0.28942539496654 14.007 > 32 33 N 0.33759615575560 0.25764459594374 0.12275872829987 14.007 > 33 34 N 0.32907051091107 0.07568873738959 0.21057460503346 14.007 > 34 35 N 0.41328489314519 0.40902207072293 0.04390793836679 14.007 > 35 36 N 0.59097792927708 0.00426282242226 0.04390793836679 14.007 > 36 37 N 0.99573717757774 0.58671510685481 0.04390793836679 14.007 > 37 38 N 0.25338177352148 0.92431126261041 0.28942539496654 14.007 > 38 39 N 0.74661822647852 0.67092948908893 0.21057460503346 14.007 > 39 40 N 0.07568873738959 0.32907051091107 0.28942539496654 14.007 > 40 41 N 0.74235540405626 0.07995155981186 0.12275872829987 14.007 > 41 42 N 0.92431126261041 0.25338177352148 0.21057460503346 14.007 > 42 43 N 0.58671510685481 0.99573717757774 0.45609206163320 14.007 > 31 44 N 0.33759615575560 0.07995155981186 0.62275872829987 14.007 > 32 45 N 0.00426282242226 0.59097792927708 0.45609206163320 14.007 > 33 46 N 0.99573717757774 0.40902207072293 0.54390793836679 14.007 > 34 47 N 0.07995155981186 0.74235540405626 0.37724127170013 14.007 > 35 48 N 0.25764459594374 0.33759615575560 0.37724127170013 14.007 > 36 49 N 0.66240384424440 0.92004844018814 0.37724127170013 14.007 > 37 50 N 0.92004844018814 0.25764459594374 0.62275872829987 14.007 > 38 51 N 0.41328489314519 0.00426282242226 0.54390793836679 14.007 > 39 52 N 0.74235540405626 0.66240384424440 0.62275872829987 14.007 > 40 53 N 0.40902207072293 0.41328489314519 0.45609206163320 14.007 > 41 54 N 0.59097792927708 0.58671510685481 0.54390793836679 14.007 > 42 55 N 0.25338177352148 0.32907051091107 0.78942539496654 14.007 > 31 56 N 0.00426282242226 0.41328489314519 0.95609206163321 14.007 > 32 57 N 0.67092948908893 0.92431126261041 0.78942539496654 14.007 > 33 58 N 0.66240384424440 0.74235540405626 0.87724127170013 14.007 > 34 59 N 0.74661822647852 0.07568873738959 0.71057460503346 14.007 > 35 60 N 0.92431126261041 0.67092948908893 0.71057460503346 14.007 > 36 61 N 0.32907051091107 0.25338177352148 0.71057460503346 14.007 > 37 62 N 0.58671510685481 0.59097792927708 0.95609206163321 14.007 > 38 63 N 0.07995155981186 0.33759615575560 0.87724127170013 14.007 > 39 64 N 0.40902207072293 0.99573717757774 0.95609206163321 14.007 > 40 65 N 0.07568873738959 0.74661822647852 0.78942539496654 14.007 > 41 66 N 0.25764459594374 0.92004844018814 0.87724127170013 14.007 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0103150 -0.0000000 0.0000000 0.0000000 3.0103150 0.0000000 0.0000000 0.0000000 5.4487974 -------------------------- Born effective charges -------------------------- 1 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 2 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 3 Lu 3.5982105 -0.1134908 -0.0000000 0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 4 Lu 3.5982105 0.1134908 -0.0000000 -0.1134908 3.5982105 0.0000000 0.0000000 0.0000000 5.2732467 5 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 6 C 0.0898154 -0.0000000 0.0000000 -0.0000000 0.8079065 -1.8206882 0.0000000 -1.6980704 4.7339175 7 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 8 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 9 C 0.6283838 0.3109426 1.5767622 0.3109426 0.2693382 0.9103441 1.4705721 0.8490352 4.7339175 10 C 0.6283838 -0.3109426 -1.5767622 -0.3109426 0.2693382 0.9103441 -1.4705721 0.8490352 4.7339175 11 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 12 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 13 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 14 N -1.4716526 -0.5115455 -0.0479394 -0.4133983 -1.3760153 1.2884145 -0.1577797 1.2557247 -4.1247076 15 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 16 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 17 N -1.8004371 -0.2235745 1.0918300 -0.3217217 -1.0472309 -0.6857240 1.0085997 -0.7645036 -4.1247076 18 N -1.4716526 0.5115455 0.0479394 0.4133983 -1.3760153 1.2884145 0.1577797 1.2557247 -4.1247076 19 N -0.9994122 0.1407502 1.1397694 0.2388974 -1.8482557 -0.6026905 1.1663793 -0.4912212 -4.1247076 20 N -0.9994122 -0.1407502 -1.1397694 -0.2388974 -1.8482557 -0.6026905 -1.1663793 -0.4912212 -4.1247076 21 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 22 N -1.8004371 0.2235745 -1.0918300 0.3217217 -1.0472309 -0.6857240 -1.0085997 -0.7645036 -4.1247076 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.60, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 85 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 1.578 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 12.591 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 18.691 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.865 ( 0.000 0.000 0.000) 0.000 20.446 ( 0.000 0.000 0.000) 0.000 40.306 ( 0.000 0.000 0.000) 0.000 40.306 ( 0.000 0.000 0.000) 0.000 40.388 ( 0.000 0.000 0.000) 0.000 40.564 ( 0.000 0.000 0.000) 0.000 40.564 ( 0.000 0.000 0.000) 0.000 40.904 ( 0.000 0.000 0.000) 0.000 62.507 ( 0.000 0.000 0.000) 0.000 62.507 ( 0.000 0.000 0.000) 0.000 62.598 ( 0.000 0.000 0.000) 0.000 62.598 ( 0.000 0.000 0.000) 0.000 63.143 ( 0.000 0.000 0.000) 0.000 68.185 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 18.672 10.780 7.552) 22.845 0.626 ( 24.606 14.206 5.426) 28.926 0.855 ( 32.586 18.814 20.206) 42.709 1.636 ( 5.419 3.129 -3.543) 7.191 1.746 ( 12.975 7.491 0.200) 14.984 2.584 ( 2.582 1.491 -1.236) 3.227 2.825 ( 7.182 4.146 -0.563) 8.312 3.417 ( -4.681 -2.703 8.493) 10.067 3.736 ( -0.720 -0.416 1.140) 1.411 3.740 ( -0.274 -0.158 0.790) 0.851 4.011 ( -1.949 -1.125 -6.296) 6.686 4.145 ( 0.388 0.224 3.239) 3.270 4.179 ( 3.313 1.913 -0.562) 3.867 4.836 ( -3.171 -1.831 -0.419) 3.685 4.910 ( -3.028 -1.748 -4.541) 5.731 4.974 ( 0.874 0.505 -0.417) 1.092 4.991 ( -1.462 -0.844 2.231) 2.798 5.198 ( -3.473 -2.005 -12.651) 13.271 5.252 ( -0.975 -0.563 -6.365) 6.463 5.572 ( 0.165 0.095 7.274) 7.276 5.640 ( -2.032 -1.173 -1.079) 2.582 5.721 ( 1.783 1.029 1.463) 2.525 6.452 ( -0.010 -0.006 -0.400) 0.400 6.607 ( 1.457 0.841 -8.245) 8.415 7.767 ( -0.647 -0.374 -4.784) 4.842 8.034 ( 1.459 0.842 -26.175) 26.229 8.658 ( -8.306 -4.795 77.246) 77.839 9.510 ( -6.106 -3.525 -6.783) 9.783 9.570 ( -14.943 -8.627 9.648) 19.768 9.707 ( -3.621 -2.090 -8.974) 9.900 9.812 ( -0.363 -0.210 1.147) 1.221 10.212 ( 10.485 6.054 2.860) 12.441 10.376 ( -1.631 -0.941 1.670) 2.517 10.438 ( -1.336 -0.771 -2.804) 3.201 10.487 ( 2.969 1.714 -1.030) 3.580 10.918 ( 9.888 5.709 3.500) 11.942 11.025 ( 2.613 1.509 -2.529) 3.937 11.042 ( 5.170 2.985 2.376) 6.425 11.621 ( -1.129 -0.652 4.536) 4.720 11.747 ( 1.947 1.124 -10.136) 10.382 12.569 ( -2.006 -1.158 1.837) 2.956 13.859 ( -3.869 -2.234 -0.895) 4.556 18.460 ( 0.319 0.184 0.675) 0.769 18.478 ( -0.166 -0.096 -0.634) 0.663 18.488 ( 0.593 0.342 -0.336) 0.762 18.531 ( -0.143 -0.082 -1.408) 1.417 18.682 ( -0.731 -0.422 0.171) 0.862 18.759 ( 0.183 0.105 -5.665) 5.669 19.528 ( 0.669 0.386 0.182) 0.793 19.587 ( 0.119 0.069 -0.832) 0.844 19.590 ( 0.198 0.114 -0.085) 0.244 19.812 ( -3.312 -1.912 -0.594) 3.871 20.081 ( 6.109 3.527 -15.530) 17.057 20.441 ( -0.107 -0.062 -2.105) 2.108 40.283 ( -1.768 -1.021 -2.142) 2.959 40.329 ( -3.341 -1.929 4.623) 6.022 40.333 ( 0.467 0.269 0.602) 0.808 40.563 ( 0.088 0.051 -1.102) 1.107 40.598 ( 1.762 1.017 2.776) 3.442 40.906 ( 0.927 0.535 -5.105) 5.216 62.449 ( -2.005 -1.157 -4.872) 5.394 62.530 ( -1.124 -0.649 17.320) 17.369 62.684 ( 5.828 3.365 -5.367) 8.608 62.919 ( 9.424 5.441 -51.507) 52.644 63.872 ( -21.531 -12.431 168.310) 170.136 68.006 ( -14.850 -8.574 0.565) 17.157 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 16.860 9.734 7.477) 20.855 1.187 ( 20.110 11.610 3.419) 23.471 1.703 ( 32.156 18.565 18.672) 41.561 1.810 ( 10.342 5.971 -3.480) 12.439 2.124 ( 16.546 9.553 2.018) 19.212 2.668 ( 5.415 3.126 -3.530) 7.180 3.047 ( 10.634 6.139 -0.014) 12.279 3.328 ( -4.660 -2.691 7.912) 9.569 3.712 ( -1.688 -0.974 1.120) 2.248 3.737 ( -0.508 -0.293 2.923) 2.981 3.908 ( -4.020 -2.321 -9.646) 10.705 4.182 ( 1.435 0.829 5.168) 5.427 4.252 ( 1.978 1.142 0.155) 2.289 4.707 ( -8.365 -4.829 1.158) 9.728 4.767 ( -7.010 -4.047 -6.810) 10.578 4.954 ( -2.267 -1.309 -4.275) 5.012 4.956 ( -2.300 -1.328 4.659) 5.363 5.065 ( -3.781 -2.183 -13.816) 14.490 5.228 ( 2.177 1.257 -9.428) 9.757 5.493 ( -2.305 -1.331 -9.492) 9.858 5.670 ( -0.093 -0.054 10.965) 10.966 5.766 ( 0.272 0.157 6.329) 6.337 6.459 ( 0.809 0.467 0.246) 0.966 6.613 ( 1.095 0.632 -5.064) 5.219 7.728 ( -0.337 -0.194 -8.072) 8.081 7.949 ( -4.094 -2.363 -0.679) 4.775 8.786 ( -1.675 -0.967 48.804) 48.842 9.259 ( -9.690 -5.595 -13.795) 17.762 9.289 ( -10.922 -6.306 10.856) 16.641 9.638 ( -0.482 -0.278 -6.905) 6.927 9.803 ( -1.176 -0.679 3.741) 3.980 10.311 ( -2.402 -1.387 -17.519) 17.737 10.398 ( 3.872 2.235 3.863) 5.908 10.407 ( -0.718 -0.415 4.473) 4.549 10.602 ( 7.161 4.134 -2.439) 8.621 11.041 ( 1.476 0.852 8.922) 9.084 11.098 ( 4.409 2.545 -4.798) 6.995 11.289 ( 6.652 3.841 9.584) 12.282 11.659 ( 6.086 3.514 -0.865) 7.081 11.767 ( 4.007 2.313 -15.373) 16.054 12.522 ( -2.725 -1.573 6.361) 7.096 13.715 ( -7.606 -4.391 -3.095) 9.312 18.470 ( -0.262 -0.151 -0.741) 0.800 18.473 ( 0.434 0.251 0.862) 0.997 18.500 ( 0.517 0.299 -1.686) 1.788 18.528 ( 0.614 0.354 -0.721) 1.011 18.658 ( -1.377 -0.795 0.584) 1.694 18.734 ( -0.874 -0.504 -3.204) 3.359 19.551 ( 1.145 0.661 0.131) 1.328 19.586 ( 0.202 0.117 -1.630) 1.647 19.594 ( 0.126 0.073 0.046) 0.152 19.732 ( -3.303 -1.907 1.863) 4.244 20.171 ( 4.435 2.561 -4.687) 6.942 20.426 ( -0.258 -0.149 -3.680) 3.692 40.217 ( -2.502 -1.444 -4.578) 5.413 40.221 ( -5.632 -3.252 6.336) 9.079 40.395 ( 2.615 1.510 2.467) 3.899 40.560 ( 0.080 0.046 -1.891) 1.893 40.654 ( 1.473 0.851 6.203) 6.432 40.905 ( 1.140 0.658 -9.001) 9.096 62.404 ( 0.715 0.413 -9.822) 9.857 62.563 ( -3.600 -2.079 27.117) 27.434 62.802 ( 6.200 3.580 -9.498) 11.894 62.959 ( 4.388 2.533 -16.374) 17.140 64.084 ( 2.404 1.388 68.258) 68.315 67.504 ( -26.395 -15.239 -1.406) 30.510 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 13.105 7.566 7.508) 16.893 1.563 ( 10.913 6.301 -3.542) 13.090 2.104 ( 13.606 7.855 3.632) 16.125 2.454 ( 8.432 4.868 2.598) 10.077 2.517 ( 30.083 17.369 15.931) 38.216 2.848 ( 11.744 6.780 -5.259) 14.545 3.193 ( -0.807 -0.466 0.418) 1.021 3.389 ( 9.496 5.483 8.455) 13.847 3.657 ( -2.938 -1.696 -3.910) 5.177 3.738 ( -0.551 -0.318 4.953) 4.994 3.762 ( -5.085 -2.936 -4.905) 7.651 4.234 ( -3.842 -2.218 -2.068) 4.894 4.249 ( 2.152 1.242 6.085) 6.572 4.449 ( -12.559 -7.251 -1.411) 14.571 4.563 ( -6.508 -3.757 -7.376) 10.530 4.735 ( -14.202 -8.200 -11.503) 20.031 4.929 ( -1.896 -1.095 8.083) 8.374 4.964 ( -0.192 -0.111 -9.308) 9.311 5.291 ( 5.679 3.279 -8.367) 10.630 5.478 ( 3.742 2.160 -10.348) 11.214 5.671 ( -2.887 -1.667 8.563) 9.189 5.766 ( -2.313 -1.335 6.083) 6.643 6.497 ( 1.973 1.139 2.023) 3.047 6.617 ( 0.674 0.389 -4.561) 4.627 7.702 ( 1.173 0.677 -10.007) 10.098 7.848 ( -5.479 -3.163 9.168) 11.139 8.860 ( -6.104 -3.524 29.094) 29.936 8.999 ( -6.754 -3.899 -16.226) 18.003 9.223 ( 1.132 0.653 25.456) 25.489 9.611 ( 0.074 0.042 -6.265) 6.266 9.786 ( -1.808 -1.044 6.802) 7.116 10.139 ( -4.248 -2.452 -28.888) 29.301 10.423 ( 0.287 0.166 4.831) 4.842 10.457 ( 0.959 0.554 0.877) 1.412 10.779 ( 8.063 4.655 -2.757) 9.709 11.097 ( -0.553 -0.319 13.276) 13.291 11.178 ( 3.829 2.211 -6.979) 8.262 11.323 ( -4.530 -2.616 11.244) 12.402 11.827 ( 5.966 3.444 -15.871) 17.302 11.894 ( 10.437 6.026 -6.668) 13.773 12.536 ( 2.485 1.435 13.340) 13.645 13.473 ( -11.235 -6.486 -5.250) 13.995 18.461 ( -0.242 -0.140 -0.159) 0.322 18.475 ( -0.202 -0.117 -1.401) 1.421 18.512 ( 1.134 0.655 -0.661) 1.467 18.556 ( 1.449 0.836 0.846) 1.875 18.623 ( -1.752 -1.012 0.760) 2.161 18.695 ( -1.433 -0.828 -2.744) 3.205 19.576 ( 0.993 0.573 -2.854) 3.075 19.589 ( 0.633 0.366 0.309) 0.794 19.593 ( -0.406 -0.234 1.135) 1.227 19.674 ( -2.208 -1.275 2.387) 3.492 20.253 ( 3.133 1.809 -0.329) 3.633 20.401 ( -0.550 -0.318 -4.323) 4.369 40.124 ( -4.564 -2.635 8.341) 9.866 40.140 ( -1.887 -1.089 -7.072) 7.400 40.463 ( 2.168 1.252 2.225) 3.349 40.552 ( -0.074 -0.043 -2.239) 2.241 40.717 ( 1.297 0.749 9.665) 9.781 40.888 ( 0.625 0.361 -11.364) 11.387 62.408 ( 3.454 1.994 -14.635) 15.169 62.556 ( -5.640 -3.256 27.881) 28.632 62.901 ( 5.330 3.077 -11.810) 13.318 62.992 ( 0.750 0.433 0.381) 0.946 64.517 ( 17.492 10.099 34.703) 40.153 66.776 ( -32.459 -18.740 -6.290) 38.004 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 6.662 3.846 7.990) 11.091 1.690 ( 1.812 1.046 -7.929) 8.201 2.411 ( 8.475 4.893 9.090) 13.356 2.539 ( -0.263 -0.152 -4.231) 4.242 3.115 ( 8.493 4.904 -2.144) 10.039 3.170 ( 4.746 2.740 -4.171) 6.887 3.219 ( 17.553 10.134 12.028) 23.568 3.529 ( -5.235 -3.022 -7.417) 9.568 3.631 ( 2.242 1.294 15.691) 15.903 3.670 ( -2.389 -1.379 0.543) 2.811 3.792 ( 7.339 4.237 2.941) 8.970 4.106 ( -13.588 -7.845 -8.589) 17.888 4.110 ( -1.683 -0.971 -3.209) 3.751 4.303 ( -15.849 -9.150 -7.656) 19.837 4.338 ( 2.602 1.502 5.667) 6.414 4.428 ( -3.182 -1.837 -6.264) 7.262 4.927 ( -1.208 -0.697 9.780) 9.879 4.940 ( 0.754 0.435 -9.228) 9.269 5.417 ( 6.415 3.704 -4.747) 8.798 5.520 ( -0.517 -0.298 -4.382) 4.422 5.635 ( 0.401 0.231 2.250) 2.297 5.706 ( -4.218 -2.435 4.801) 6.839 6.557 ( 1.875 1.082 3.656) 4.249 6.603 ( -0.553 -0.319 -4.426) 4.472 7.713 ( 3.205 1.850 -11.624) 12.198 7.764 ( -4.814 -2.779 12.258) 13.459 8.802 ( -4.310 -2.488 18.766) 19.415 8.834 ( -1.474 -0.851 -17.308) 17.391 9.430 ( 5.032 2.905 27.470) 28.078 9.577 ( -1.099 -0.634 -10.051) 10.131 9.788 ( -0.680 -0.393 15.163) 15.183 9.916 ( -3.840 -2.217 -31.249) 31.562 10.449 ( 0.432 0.249 3.513) 3.549 10.465 ( -0.026 -0.015 -1.701) 1.702 10.955 ( 7.996 4.616 -7.037) 11.609 11.085 ( -5.502 -3.177 14.264) 15.615 11.222 ( 2.366 1.366 -7.950) 8.406 11.252 ( -3.094 -1.786 6.471) 7.392 11.921 ( 5.714 3.299 -11.039) 12.861 11.989 ( -1.077 -0.622 1.759) 2.155 12.780 ( 12.625 7.289 11.743) 18.720 13.146 ( -13.860 -8.002 -7.834) 17.818 18.458 ( -0.099 -0.057 0.843) 0.851 18.464 ( -0.124 -0.072 -1.704) 1.710 18.544 ( 1.573 0.908 -0.328) 1.846 18.583 ( -1.797 -1.037 0.623) 2.166 18.599 ( 1.674 0.966 1.772) 2.622 18.647 ( -1.674 -0.966 -2.428) 3.103 19.580 ( 0.744 0.430 -4.107) 4.196 19.585 ( -0.857 -0.495 3.173) 3.324 19.615 ( 1.049 0.606 0.589) 1.347 19.641 ( -1.231 -0.711 0.811) 1.637 20.318 ( 1.991 1.149 2.315) 3.263 20.366 ( -1.109 -0.640 -3.862) 4.069 40.074 ( -2.313 -1.335 9.254) 9.632 40.083 ( -0.118 -0.068 -8.806) 8.808 40.511 ( 1.185 0.684 2.014) 2.434 40.538 ( -0.457 -0.264 -2.183) 2.246 40.786 ( 1.004 0.579 11.856) 11.913 40.848 ( -0.249 -0.144 -12.321) 12.325 62.452 ( 5.438 3.140 -19.549) 20.533 62.511 ( -6.244 -3.605 24.377) 25.420 62.965 ( 3.797 2.192 -11.608) 12.409 62.995 ( -1.871 -1.080 8.319) 8.595 65.164 ( 27.451 15.849 20.875) 37.954 65.953 ( -32.587 -18.814 -12.844) 39.760 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -0.000 20.422 6.013) 21.289 0.669 ( -0.000 27.738 8.547) 29.025 0.967 ( -0.000 32.076 37.619) 49.438 1.645 ( 0.000 7.191 -1.956) 7.453 1.718 ( 0.000 14.407 -4.721) 15.160 2.581 ( 0.000 3.424 -1.785) 3.861 2.816 ( 0.000 7.538 -1.710) 7.729 3.458 ( -0.000 -6.226 13.101) 14.506 3.734 ( -0.000 -1.379 0.993) 1.699 3.751 ( -0.000 0.223 2.572) 2.582 3.976 ( 0.000 -2.012 -12.274) 12.437 4.128 ( -0.000 -0.561 0.368) 0.671 4.222 ( -0.000 5.201 6.144) 8.050 4.810 ( 0.000 -4.775 -4.723) 6.716 4.935 ( 0.000 -1.827 -0.206) 1.839 4.940 ( 0.000 1.094 -6.601) 6.691 5.004 ( -0.000 -1.555 4.444) 4.709 5.171 ( 0.000 -3.723 -15.621) 16.058 5.181 ( 0.000 -1.568 -16.445) 16.519 5.587 ( -0.000 -1.498 0.872) 1.733 5.614 ( -0.000 -1.483 1.900) 2.410 5.762 ( -0.000 4.266 8.797) 9.777 6.444 ( 0.000 -0.179 -1.752) 1.761 6.568 ( 0.000 3.553 -10.672) 11.248 7.921 ( -0.000 5.144 21.595) 22.199 7.941 ( 0.000 7.679 -24.768) 25.931 8.777 ( -0.000 -31.666 61.638) 69.296 9.519 ( 0.000 -16.618 -1.460) 16.682 9.593 ( -0.000 -3.125 8.430) 8.991 9.815 ( -0.000 -1.610 8.717) 8.865 9.861 ( -0.000 -3.255 12.952) 13.355 10.237 ( -0.000 8.087 6.820) 10.579 10.282 ( 0.000 -3.820 -10.526) 11.198 10.414 ( 0.000 1.160 -12.776) 12.828 10.447 ( 0.000 0.597 -4.521) 4.560 10.874 ( 0.000 7.800 -4.985) 9.257 11.015 ( 0.000 6.438 -2.715) 6.987 11.040 ( -0.000 4.526 0.700) 4.580 11.646 ( -0.000 -2.096 8.596) 8.848 11.776 ( 0.000 5.986 -5.641) 8.225 12.576 ( -0.000 -2.603 3.417) 4.295 13.852 ( 0.000 -4.743 -2.370) 5.302 18.455 ( 0.000 0.215 -0.017) 0.216 18.479 ( 0.000 0.001 -0.384) 0.384 18.485 ( 0.000 0.568 -0.821) 0.998 18.522 ( 0.000 -0.210 -2.800) 2.808 18.680 ( 0.000 -0.560 -0.984) 1.132 18.735 ( 0.000 2.515 -7.712) 8.112 19.535 ( -0.000 0.924 1.327) 1.616 19.583 ( 0.000 0.099 -1.091) 1.095 19.588 ( 0.000 0.331 -0.562) 0.653 19.801 ( 0.000 -1.639 -5.421) 5.664 20.014 ( 0.000 10.914 -15.346) 18.832 20.429 ( 0.000 -0.133 -4.075) 4.078 40.297 ( 0.000 -1.403 -2.087) 2.515 40.302 ( -0.000 -1.166 1.367) 1.797 40.357 ( -0.000 -3.170 5.728) 6.547 40.575 ( 0.000 0.993 -1.004) 1.412 40.589 ( -0.000 1.156 3.296) 3.493 40.880 ( 0.000 1.017 -8.680) 8.740 62.402 ( 0.000 -5.412 -3.011) 6.194 62.514 ( -0.000 1.310 6.460) 6.592 62.736 ( -0.000 8.779 3.736) 9.541 62.900 ( 0.000 20.890 -30.691) 37.126 64.505 ( -0.000 -79.251 202.252) 217.225 68.010 ( -0.000 -17.293 1.109) 17.328 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 12.864 17.068 7.120) 22.528 1.094 ( 12.161 23.430 4.191) 26.729 1.584 ( 16.976 26.840 30.752) 44.207 1.745 ( 3.248 10.894 -5.089) 12.455 1.994 ( 11.791 15.764 -0.630) 19.696 2.634 ( 1.790 5.110 -2.883) 6.134 2.955 ( 6.574 8.155 -2.333) 10.732 3.406 ( -3.811 -5.152 11.508) 13.172 3.712 ( -0.234 -2.634 -1.991) 3.310 3.763 ( -0.727 0.752 5.305) 5.407 3.887 ( -1.538 -2.638 -13.094) 13.445 4.153 ( 2.615 -0.624 2.040) 3.375 4.291 ( -0.988 4.390 6.456) 7.869 4.711 ( -2.390 -8.152 -4.704) 9.710 4.839 ( -5.515 -3.059 -3.027) 6.996 4.937 ( -0.251 -2.378 -5.616) 6.104 4.994 ( -1.438 -1.821 4.942) 5.459 5.028 ( -2.030 -2.225 -17.817) 18.070 5.146 ( 2.860 0.567 -15.833) 16.100 5.479 ( -2.627 -3.564 -12.360) 13.129 5.684 ( 1.847 -0.445 11.500) 11.656 5.835 ( -1.070 2.933 11.560) 11.974 6.441 ( 0.760 -0.114 -1.360) 1.562 6.575 ( 1.173 1.817 -7.692) 7.990 7.836 ( -7.807 6.028 -5.852) 11.469 8.034 ( -4.353 1.475 19.063) 19.610 8.769 ( 7.987 -19.197 36.932) 42.383 9.327 ( -2.908 -14.196 4.192) 15.085 9.423 ( -13.932 -4.921 4.758) 15.523 9.740 ( -7.607 3.175 5.753) 10.052 9.852 ( -1.792 0.928 5.585) 5.938 10.265 ( -2.199 -1.314 -18.188) 18.367 10.295 ( 6.128 -3.006 -1.628) 7.017 10.428 ( 1.725 0.819 -1.327) 2.325 10.497 ( 6.220 3.185 -5.078) 8.638 10.995 ( 9.121 0.756 -6.197) 11.052 11.074 ( -0.219 6.829 0.962) 6.900 11.237 ( 8.814 10.552 4.337) 14.417 11.644 ( -0.373 -0.762 4.169) 4.255 11.774 ( -4.074 8.457 -8.210) 12.471 12.552 ( -0.888 -3.743 6.966) 7.958 13.746 ( -3.861 -6.557 -4.274) 8.727 18.465 ( 0.417 0.098 0.609) 0.745 18.475 ( -0.082 0.244 -1.147) 1.175 18.490 ( 0.175 0.430 -1.893) 1.949 18.514 ( 0.645 0.055 -1.964) 2.068 18.666 ( -0.377 -1.178 -0.190) 1.251 18.727 ( -0.478 0.435 -4.022) 4.073 19.551 ( 0.109 1.260 0.913) 1.560 19.580 ( 0.003 0.186 -1.336) 1.349 19.592 ( 0.206 0.403 -0.498) 0.673 19.755 ( -1.372 -2.714 0.004) 3.042 20.110 ( 3.968 5.914 -6.206) 9.446 20.409 ( -0.027 -0.219 -5.400) 5.405 40.225 ( -2.666 -3.190 -1.804) 4.532 40.286 ( -2.436 -4.117 4.932) 6.871 40.372 ( 2.029 1.126 2.488) 3.402 40.564 ( -0.874 0.465 -1.047) 1.441 40.649 ( 2.358 1.017 5.358) 5.941 40.860 ( 0.588 1.383 -11.572) 11.669 62.345 ( 0.456 -3.445 -3.272) 4.773 62.634 ( 5.386 3.297 8.249) 10.389 62.800 ( -4.662 6.753 11.174) 13.863 62.996 ( -0.143 16.580 -22.844) 28.227 64.338 ( -7.270 -32.581 104.021) 109.246 67.664 ( -14.186 -24.047 -1.007) 27.938 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 11.658 15.849 8.228) 21.326 1.529 ( 8.379 18.989 0.505) 20.762 1.965 ( 11.804 10.820 -3.725) 16.441 2.286 ( 20.847 18.004 14.948) 31.340 2.389 ( 13.010 15.134 11.555) 23.061 2.733 ( 4.965 6.159 -3.840) 8.794 3.158 ( 7.320 3.814 -1.676) 8.423 3.342 ( -0.731 -1.391 6.706) 6.888 3.643 ( -1.140 -2.910 -14.011) 14.355 3.780 ( -1.290 0.545 7.605) 7.733 3.786 ( -2.558 -3.025 -1.575) 4.263 4.206 ( 2.299 -1.218 2.422) 3.555 4.307 ( -2.585 1.185 4.006) 4.912 4.509 ( -6.811 -10.750 -3.469) 13.190 4.650 ( -8.608 -4.383 -5.162) 10.952 4.796 ( -7.804 -8.568 -12.858) 17.310 4.912 ( 0.107 -1.008 -13.489) 13.527 4.981 ( -1.758 -1.319 7.324) 7.647 5.194 ( 5.327 4.672 -11.937) 13.882 5.408 ( 1.955 1.827 -11.930) 12.226 5.721 ( -0.834 -2.116 8.950) 9.234 5.856 ( -3.795 1.134 10.527) 11.247 6.468 ( 2.383 0.361 0.591) 2.482 6.585 ( 1.102 1.007 -6.172) 6.350 7.747 ( -5.269 3.671 -4.435) 7.804 7.995 ( -7.914 -1.699 24.137) 25.459 8.842 ( 3.769 -12.100 16.087) 20.479 9.111 ( -10.152 -8.710 1.606) 13.472 9.269 ( 0.773 -2.449 19.816) 19.982 9.679 ( -5.690 4.551 0.447) 7.300 9.848 ( -2.242 1.336 6.016) 6.558 10.091 ( -4.789 -1.463 -28.453) 28.891 10.354 ( 4.781 -4.554 1.976) 6.892 10.436 ( 1.512 -2.243 -2.905) 3.970 10.656 ( 8.062 3.679 -3.618) 9.572 11.141 ( 3.656 1.714 2.696) 4.855 11.147 ( 3.027 6.900 -5.200) 9.155 11.402 ( -1.610 -3.311 13.230) 13.732 11.753 ( 7.473 10.393 -9.542) 15.966 11.781 ( 1.024 9.098 -9.237) 13.006 12.544 ( 1.161 -3.459 12.307) 12.836 13.545 ( -7.833 -8.490 -5.817) 12.934 18.464 ( -0.254 0.040 -0.272) 0.375 18.471 ( -0.209 -0.014 -2.338) 2.348 18.497 ( 1.020 0.691 -0.843) 1.492 18.536 ( 1.620 0.417 0.322) 1.703 18.641 ( -1.026 -1.245 0.301) 1.641 18.697 ( -1.263 -0.580 -2.963) 3.272 19.563 ( 0.058 0.690 -2.338) 2.438 19.585 ( 0.436 0.558 0.546) 0.895 19.600 ( 0.132 0.498 0.393) 0.648 19.704 ( -1.818 -2.206 2.335) 3.691 20.212 ( 3.637 3.261 -1.344) 5.067 20.384 ( -0.076 -0.328 -5.698) 5.708 40.136 ( -2.502 -2.655 -3.632) 5.147 40.205 ( -4.027 -3.490 6.529) 8.428 40.438 ( 2.711 0.930 2.171) 3.595 40.549 ( -0.461 0.028 -1.783) 1.842 40.726 ( 2.320 0.901 7.958) 8.338 40.838 ( 0.530 1.220 -12.849) 12.917 62.325 ( 1.748 -0.537 -6.525) 6.776 62.766 ( -4.520 1.451 22.929) 23.415 62.822 ( 0.972 5.241 3.939) 6.628 63.057 ( -1.239 10.038 -11.247) 15.126 64.451 ( 10.204 -6.716 48.564) 50.077 67.030 ( -24.428 -27.180 -6.334) 37.089 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 6.006 14.763 8.721) 18.168 1.749 ( -1.580 14.220 -4.102) 14.884 2.327 ( 13.535 9.714 3.784) 17.084 2.548 ( 0.912 3.565 0.496) 3.713 2.914 ( 13.796 3.645 -1.687) 14.369 2.994 ( 16.691 13.050 9.317) 23.146 3.209 ( 0.584 1.220 2.145) 2.536 3.483 ( 8.164 -0.804 0.468) 8.216 3.546 ( 3.687 0.655 -13.012) 13.540 3.712 ( -2.061 -3.480 1.859) 4.451 3.786 ( -2.247 -1.204 10.432) 10.738 4.146 ( -4.637 -2.320 -3.631) 6.330 4.226 ( -11.340 -10.102 -2.702) 15.426 4.336 ( 0.966 1.421 4.357) 4.683 4.423 ( -10.841 -8.477 -9.046) 16.468 4.472 ( -7.264 -3.191 -8.343) 11.513 4.878 ( 1.544 -0.436 -11.456) 11.568 4.968 ( -1.133 -1.469 6.992) 7.234 5.328 ( 6.552 6.379 -6.718) 11.346 5.469 ( 4.306 4.763 -10.831) 12.591 5.682 ( -3.210 -3.499 7.867) 9.189 5.806 ( -5.816 -0.928 9.422) 11.111 6.532 ( 3.099 0.635 2.407) 3.975 6.583 ( 0.285 0.123 -5.103) 5.113 7.697 ( -1.714 2.195 -4.215) 5.052 7.923 ( -7.974 -2.307 25.605) 26.917 8.779 ( -1.929 -3.632 -7.155) 8.253 8.899 ( -5.080 -7.809 10.377) 13.945 9.440 ( 6.538 0.081 24.888) 25.732 9.599 ( -5.418 0.017 -10.590) 11.896 9.853 ( -1.935 2.333 -3.541) 4.661 9.896 ( -4.172 1.591 -10.162) 11.100 10.394 ( 3.817 -3.897 2.195) 5.880 10.422 ( 1.663 -3.614 -3.248) 5.136 10.817 ( 8.135 2.919 -6.572) 10.858 11.162 ( -2.592 -2.113 4.900) 5.933 11.249 ( 0.287 6.137 -2.493) 6.630 11.333 ( -3.301 -0.382 2.046) 3.902 11.842 ( 2.722 8.153 -7.704) 11.543 11.980 ( 4.478 5.156 -1.866) 7.079 12.668 ( 9.823 1.069 12.705) 16.095 13.249 ( -11.489 -10.188 -7.501) 17.090 18.458 ( -0.046 0.027 -2.017) 2.017 18.464 ( -0.138 0.206 0.235) 0.341 18.525 ( 1.376 0.816 -0.443) 1.661 18.575 ( 1.810 -0.000 1.077) 2.107 18.609 ( -1.346 -0.625 0.586) 1.596 18.652 ( -1.452 -1.072 -2.613) 3.176 19.558 ( 0.282 0.431 -3.654) 3.690 19.596 ( 0.062 -0.167 1.245) 1.258 19.615 ( 0.337 1.014 1.094) 1.529 19.664 ( -1.602 -1.297 2.214) 3.025 20.296 ( 2.785 1.778 1.261) 3.537 20.356 ( -0.330 -0.483 -4.852) 4.887 40.061 ( -1.429 -0.986 -6.628) 6.851 40.137 ( -2.840 -2.667 8.550) 9.396 40.496 ( 2.017 0.389 2.317) 3.097 40.533 ( -0.351 -0.374 -1.943) 2.009 40.798 ( 0.898 0.481 -7.294) 7.365 40.814 ( 1.017 1.057 3.696) 3.977 62.344 ( 3.013 1.833 -10.784) 11.346 62.711 ( -8.714 -4.048 29.275) 30.811 62.927 ( 1.533 8.316 -9.650) 12.831 63.084 ( -2.448 5.065 4.664) 7.308 64.900 ( 23.944 5.935 23.473) 34.052 66.227 ( -29.024 -26.365 -13.006) 41.312 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -9.631 8.589 -4.768) 13.757 1.834 ( -2.955 11.963 8.945) 15.227 2.493 ( -6.582 0.074 -6.122) 8.989 2.571 ( 1.218 3.868 6.605) 7.751 3.096 ( -1.200 -8.609 -3.444) 9.350 3.119 ( 9.975 -0.220 -0.254) 9.981 3.413 ( -10.966 -2.767 -11.345) 16.019 3.439 ( 9.189 3.960 -2.260) 10.258 3.565 ( -0.117 -4.915 -5.326) 7.248 3.689 ( -3.951 -2.278 9.302) 10.360 3.836 ( -8.623 -9.891 -8.033) 15.386 3.961 ( 15.963 6.353 11.408) 20.623 4.154 ( -0.549 0.953 -2.695) 2.911 4.178 ( 1.559 3.762 1.794) 4.450 4.350 ( -2.546 -1.542 -5.771) 6.493 4.428 ( 2.386 2.305 7.284) 8.004 4.865 ( 1.844 0.122 -10.136) 10.303 4.964 ( -0.168 -1.440 5.107) 5.309 5.484 ( 5.212 5.746 -3.696) 8.593 5.500 ( -3.306 1.528 -4.372) 5.691 5.651 ( 1.641 -1.051 2.320) 3.030 5.716 ( -5.750 -1.698 9.599) 11.317 6.554 ( -0.895 -1.009 -4.304) 4.511 6.597 ( 1.989 0.215 3.303) 3.861 7.700 ( 1.568 1.693 -4.689) 5.226 7.868 ( -6.910 -0.505 25.344) 26.274 8.683 ( 0.237 -1.522 -16.619) 16.691 8.864 ( 1.312 -3.062 15.085) 15.448 9.378 ( -6.259 -5.173 -29.018) 30.133 9.606 ( 2.611 1.685 11.257) 11.678 9.780 ( -2.739 4.628 -9.634) 11.033 9.991 ( 3.414 3.072 23.319) 23.767 10.395 ( 1.607 -4.425 -3.801) 6.051 10.428 ( 2.455 -2.459 2.696) 4.398 10.954 ( 7.366 2.762 -10.362) 13.010 11.032 ( -5.942 -7.436 1.038) 9.575 11.274 ( -2.541 7.399 -5.838) 9.761 11.325 ( -2.747 3.354 3.778) 5.750 11.963 ( 3.484 6.205 -1.400) 7.252 12.012 ( -2.796 -1.128 7.318) 7.914 12.878 ( -13.450 -10.940 -10.005) 20.017 12.978 ( 15.296 4.475 7.612) 17.662 18.454 ( 0.162 0.209 -1.131) 1.161 18.469 ( 0.098 0.295 1.172) 1.212 18.557 ( 1.548 0.662 -0.675) 1.814 18.565 ( -1.489 -0.942 0.306) 1.788 18.605 ( -0.995 -1.026 -2.391) 2.786 18.631 ( 1.707 0.550 2.012) 2.695 19.559 ( 0.896 0.420 -3.486) 3.624 19.598 ( -0.266 -0.292 2.220) 2.255 19.630 ( -0.520 -0.069 -0.112) 0.537 19.638 ( -0.604 0.182 1.468) 1.597 20.324 ( -0.922 -0.690 -3.158) 3.362 20.359 ( 1.897 0.870 2.536) 3.284 40.022 ( 0.655 0.226 -7.429) 7.461 40.119 ( -0.683 -1.031 8.507) 8.597 40.512 ( -0.690 -0.849 -1.758) 2.070 40.536 ( 1.134 0.112 2.892) 3.109 40.750 ( -0.652 0.015 -12.495) 12.512 40.882 ( 1.107 0.621 9.470) 9.555 62.380 ( 3.497 2.739 -15.117) 15.757 62.620 ( -7.619 -4.612 26.550) 28.004 62.952 ( -0.356 3.674 -14.901) 15.351 63.125 ( -4.191 7.107 14.750) 16.901 65.391 ( -28.334 -22.657 -19.050) 40.976 65.566 ( 32.364 10.547 12.345) 36.209 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -16.535 2.627 -3.900) 17.190 1.816 ( -13.738 6.840 6.503) 16.667 2.263 ( -12.922 -3.663 -5.827) 14.640 2.548 ( -6.382 -0.923 0.327) 6.457 2.862 ( -27.320 -11.119 -9.925) 31.121 2.938 ( -7.424 -10.191 0.418) 12.616 3.221 ( -0.784 1.465 3.521) 3.894 3.384 ( -1.910 -7.207 -11.689) 13.864 3.648 ( 4.373 0.979 -8.365) 9.490 3.671 ( 2.387 2.401 4.401) 5.553 3.751 ( 0.854 0.080 3.686) 3.785 4.176 ( 4.219 1.135 1.428) 4.596 4.239 ( 4.556 1.006 -1.513) 4.905 4.296 ( 5.641 1.574 0.140) 5.858 4.524 ( 9.634 4.183 7.919) 13.153 4.560 ( 13.173 5.728 5.895) 15.527 4.875 ( 2.320 0.961 -6.880) 7.324 4.973 ( 0.891 -0.905 4.038) 4.233 5.394 ( -6.256 -1.459 2.489) 6.890 5.565 ( -2.937 0.984 2.417) 3.929 5.627 ( 0.459 0.270 0.122) 0.547 5.736 ( 2.298 2.103 -0.230) 3.123 6.502 ( -1.487 -1.594 -2.721) 3.487 6.629 ( 0.397 -0.338 2.724) 2.773 7.742 ( 2.739 0.631 -2.175) 3.554 7.875 ( -4.223 4.605 23.236) 24.062 8.627 ( 4.352 -4.900 -24.280) 25.149 8.971 ( 5.768 0.705 10.677) 12.156 9.136 ( -2.161 -2.963 -23.119) 23.408 9.676 ( -0.694 3.115 6.803) 7.515 9.768 ( -0.498 3.748 -5.833) 6.951 10.181 ( 4.935 1.070 19.515) 20.158 10.361 ( 1.330 -4.379 -3.884) 6.002 10.454 ( 0.483 0.003 4.569) 4.595 10.842 ( -6.007 -6.627 -4.241) 9.898 11.052 ( 4.095 3.343 -10.855) 12.074 11.279 ( -1.501 4.882 -6.288) 8.101 11.297 ( -5.251 1.969 4.739) 7.342 11.947 ( -4.699 -2.659 10.252) 11.587 12.041 ( -4.623 2.540 7.984) 9.569 12.518 ( -7.474 -7.968 -13.883) 17.666 13.315 ( 14.358 3.891 4.192) 15.455 18.458 ( 0.310 0.181 -0.210) 0.416 18.480 ( 0.092 0.474 1.269) 1.358 18.531 ( -1.396 -0.517 0.385) 1.538 18.560 ( -0.701 -1.295 -1.521) 2.117 18.600 ( 1.507 0.846 -0.706) 1.867 18.679 ( 1.996 0.450 1.820) 2.738 19.573 ( 1.313 0.293 -1.978) 2.392 19.598 ( -0.319 -0.113 1.997) 2.026 19.603 ( -1.486 -0.402 0.071) 1.541 19.649 ( 0.719 0.605 -0.637) 1.135 20.283 ( -1.888 -0.838 -0.997) 2.293 20.402 ( 1.187 0.350 2.634) 2.910 40.039 ( 3.430 0.840 -5.828) 6.815 40.150 ( 1.121 0.556 6.346) 6.468 40.474 ( -1.568 -1.336 -1.744) 2.699 40.563 ( 0.300 0.214 3.636) 3.655 40.689 ( -0.842 -0.439 -10.473) 10.516 40.930 ( 0.079 0.185 7.703) 7.706 62.394 ( 2.106 -0.167 -12.349) 12.528 62.565 ( -4.662 0.640 15.023) 15.742 62.893 ( -1.380 -3.183 -7.612) 8.365 63.182 ( -5.915 10.639 14.501) 18.933 64.628 ( -23.920 -17.812 -24.679) 38.710 66.330 ( 35.969 10.410 5.813) 37.893 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -20.618 -1.048 -2.856) 20.841 1.526 ( -23.504 0.306 0.501) 23.511 1.973 ( -13.555 -3.876 -1.718) 14.202 2.142 ( -34.101 -7.397 -5.341) 35.300 2.332 ( -14.597 -3.728 -2.754) 15.315 2.764 ( -6.313 -3.155 2.026) 7.343 3.170 ( -7.647 -3.296 -0.416) 8.338 3.267 ( 0.810 0.648 -3.937) 4.071 3.695 ( 1.464 2.281 -4.659) 5.390 3.708 ( 1.206 -1.425 2.162) 2.857 3.862 ( 6.129 1.612 4.058) 7.526 4.175 ( -1.070 -1.374 -2.638) 3.161 4.281 ( 0.042 1.011 0.168) 1.026 4.530 ( 13.184 1.287 0.403) 13.253 4.700 ( 7.456 3.139 3.392) 8.773 4.873 ( 8.378 0.755 1.009) 8.473 4.923 ( 3.733 1.416 -0.894) 4.091 5.031 ( 4.970 0.961 4.676) 6.892 5.293 ( -4.286 -1.057 3.123) 5.407 5.515 ( -1.587 -0.607 5.163) 5.436 5.638 ( -0.481 0.417 -4.405) 4.451 5.773 ( -0.087 1.651 -1.882) 2.505 6.460 ( -0.733 -0.983 -0.880) 1.509 6.631 ( -0.395 -0.388 1.623) 1.715 7.784 ( 1.137 0.584 2.605) 2.902 7.992 ( -0.594 8.521 22.698) 24.252 8.499 ( 3.450 -9.993 -36.712) 38.203 9.091 ( 8.794 -0.142 -6.139) 10.726 9.194 ( 8.702 3.383 5.871) 11.029 9.707 ( -1.896 2.993 5.813) 6.808 9.787 ( 1.108 1.942 -3.945) 4.535 10.305 ( 3.471 -1.349 5.051) 6.275 10.329 ( 1.293 -3.525 -2.421) 4.468 10.482 ( -2.262 3.476 8.391) 9.360 10.658 ( -5.283 -5.337 -5.991) 9.607 11.076 ( -2.045 4.183 -6.256) 7.798 11.195 ( -6.975 -1.829 3.070) 7.837 11.290 ( 0.115 1.320 -5.168) 5.335 11.837 ( -16.105 -3.026 3.674) 16.794 11.880 ( -4.328 -1.173 7.958) 9.134 12.439 ( 4.583 -0.417 -5.833) 7.430 13.588 ( 11.237 2.057 1.786) 11.563 18.464 ( 0.200 -0.128 -0.118) 0.265 18.485 ( -0.517 0.535 0.392) 0.841 18.512 ( -0.632 -0.213 1.001) 1.203 18.532 ( -0.448 -0.712 -0.626) 1.049 18.635 ( 1.704 0.475 -0.392) 1.812 18.722 ( 1.757 0.283 1.238) 2.168 19.571 ( -1.525 -0.201 -0.048) 1.539 19.589 ( 0.463 -0.085 0.062) 0.475 19.598 ( -0.294 0.075 0.721) 0.782 19.680 ( 2.691 0.629 -1.193) 3.010 20.231 ( -2.944 -0.730 0.861) 3.153 20.429 ( 0.666 0.104 1.716) 1.844 40.114 ( 5.721 0.819 -3.057) 6.538 40.209 ( 2.173 1.176 3.273) 4.101 40.416 ( -2.505 -1.301 -1.676) 3.283 40.579 ( -0.524 0.491 3.771) 3.838 40.637 ( -0.506 -0.751 -6.940) 6.998 40.947 ( -0.847 -0.094 4.520) 4.600 62.372 ( 1.182 -2.506 -3.756) 4.668 62.567 ( -2.687 5.844 -0.897) 6.495 62.793 ( -1.725 -7.063 0.313) 7.277 63.248 ( -6.679 12.141 19.244) 23.714 63.984 ( -18.001 -13.639 -32.516) 39.590 67.072 ( 34.318 6.685 1.622) 35.001 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -22.239 0.000 0.000) 22.239 1.050 ( -27.838 0.000 0.000) 27.838 1.398 ( -37.684 0.000 0.000) 37.684 1.775 ( -10.502 0.000 0.000) 10.502 1.998 ( -18.154 0.000 0.000) 18.154 2.650 ( -5.196 0.000 0.000) 5.196 2.972 ( -10.666 0.000 0.000) 10.666 3.325 ( 4.769 -0.000 -0.000) 4.769 3.718 ( 1.083 -0.000 -0.000) 1.083 3.727 ( 1.095 -0.000 -0.000) 1.095 3.974 ( 4.222 -0.000 -0.000) 4.222 4.145 ( -0.792 0.000 0.000) 0.792 4.247 ( -3.732 0.000 0.000) 3.732 4.739 ( 8.642 -0.000 -0.000) 8.642 4.853 ( 6.207 -0.000 -0.000) 6.207 4.951 ( 2.772 -0.000 -0.000) 2.772 4.977 ( 0.986 -0.000 -0.000) 0.986 5.155 ( 5.296 -0.000 -0.000) 5.296 5.249 ( -0.669 0.000 0.000) 0.669 5.561 ( 4.734 -0.000 -0.000) 4.734 5.593 ( -2.654 0.000 0.000) 2.654 5.757 ( -1.890 0.000 0.000) 1.890 6.449 ( 0.066 -0.000 -0.000) 0.066 6.626 ( -0.290 0.000 0.000) 0.290 7.805 ( -0.318 0.000 0.000) 0.318 8.133 ( 1.135 -0.000 -0.000) 1.135 8.375 ( 2.959 -0.000 -0.000) 2.959 9.299 ( 14.720 -0.000 -0.000) 14.720 9.408 ( 10.224 -0.000 -0.000) 10.224 9.715 ( -0.101 0.000 0.000) 0.101 9.809 ( 0.816 -0.000 -0.000) 0.816 10.319 ( -2.721 0.000 0.000) 2.721 10.323 ( 1.417 -0.000 -0.000) 1.417 10.481 ( -3.460 0.000 0.000) 3.460 10.522 ( -3.390 0.000 0.000) 3.390 11.028 ( -5.084 0.000 0.000) 5.084 11.062 ( -5.155 0.000 0.000) 5.155 11.204 ( -10.190 0.000 0.000) 10.190 11.624 ( -4.280 0.000 0.000) 4.280 11.822 ( -3.553 0.000 0.000) 3.553 12.515 ( 4.148 -0.000 -0.000) 4.148 13.770 ( 7.537 -0.000 -0.000) 7.537 18.461 ( -0.234 0.000 0.000) 0.234 18.482 ( -0.201 0.000 0.000) 0.201 18.498 ( -0.815 0.000 0.000) 0.815 18.530 ( 0.257 -0.000 -0.000) 0.257 18.664 ( 1.382 -0.000 -0.000) 1.382 18.754 ( 1.317 -0.000 -0.000) 1.317 19.544 ( -1.283 0.000 0.000) 1.283 19.591 ( -0.101 0.000 0.000) 0.101 19.594 ( -0.329 0.000 0.000) 0.329 19.747 ( 4.249 -0.000 -0.000) 4.249 20.170 ( -3.672 0.000 0.000) 3.672 20.442 ( 0.321 -0.000 -0.000) 0.321 40.224 ( 6.155 -0.000 -0.000) 6.155 40.267 ( 2.622 -0.000 -0.000) 2.622 40.357 ( -2.521 0.000 0.000) 2.521 40.578 ( -0.790 0.000 0.000) 0.790 40.607 ( -0.843 0.000 0.000) 0.843 40.935 ( -1.286 0.000 0.000) 1.286 62.380 ( 2.469 -0.000 -0.000) 2.469 62.554 ( -2.432 0.000 0.000) 2.432 62.717 ( -2.088 0.000 0.000) 2.088 63.347 ( -1.507 0.000 0.000) 1.507 63.457 ( -16.981 0.000 0.000) 16.981 67.668 ( 27.031 -0.000 -0.000) 27.031 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.000 19.501 4.238) 19.957 1.237 ( -0.000 22.314 1.772) 22.384 1.767 ( -0.000 16.923 6.695) 18.199 1.948 ( -0.000 25.405 25.101) 35.714 2.050 ( 0.000 19.707 -4.009) 20.111 2.675 ( 0.000 7.672 -4.097) 8.698 2.974 ( 0.000 8.741 -3.951) 9.593 3.432 ( -0.000 -5.385 12.114) 13.257 3.649 ( 0.000 -5.301 -10.599) 11.851 3.812 ( -0.000 2.190 8.158) 8.447 3.829 ( 0.000 -2.941 -7.600) 8.149 4.131 ( -0.000 0.493 1.553) 1.629 4.368 ( -0.000 1.879 7.107) 7.351 4.622 ( 0.000 -8.931 -6.126) 10.831 4.845 ( -0.000 -7.254 -0.476) 7.270 4.870 ( 0.000 -2.276 -13.207) 13.401 4.948 ( 0.000 -4.040 -17.167) 17.636 5.014 ( -0.000 -1.900 7.110) 7.360 5.068 ( 0.000 4.731 -15.863) 16.553 5.406 ( 0.000 -3.908 -15.035) 15.534 5.711 ( -0.000 0.280 10.307) 10.311 5.923 ( -0.000 2.210 14.256) 14.426 6.428 ( 0.000 0.307 -2.310) 2.330 6.559 ( 0.000 2.276 -7.244) 7.593 7.907 ( 0.000 3.109 -13.297) 13.656 8.315 ( -0.000 10.707 37.815) 39.302 8.560 ( -0.000 -21.128 29.569) 36.342 9.210 ( -0.000 -13.401 2.055) 13.557 9.531 ( -0.000 -9.543 11.067) 14.614 9.855 ( -0.000 -7.229 11.784) 13.825 9.916 ( -0.000 2.695 13.812) 14.073 10.167 ( 0.000 0.731 -10.554) 10.580 10.208 ( 0.000 -0.397 -26.115) 26.118 10.399 ( 0.000 -0.199 -10.232) 10.234 10.440 ( 0.000 3.959 -0.601) 4.004 10.861 ( 0.000 0.097 -9.253) 9.253 11.200 ( -0.000 8.304 3.629) 9.062 11.260 ( -0.000 12.432 0.872) 12.463 11.650 ( -0.000 -0.545 0.983) 1.124 11.904 ( 0.000 10.063 -4.019) 10.836 12.537 ( -0.000 -5.894 9.277) 10.991 13.687 ( 0.000 -8.054 -5.271) 9.626 18.462 ( 0.000 0.205 -0.420) 0.468 18.478 ( 0.000 0.158 -0.221) 0.272 18.485 ( 0.000 0.593 -2.899) 2.959 18.497 ( 0.000 0.229 -1.958) 1.972 18.652 ( 0.000 -1.366 -1.033) 1.712 18.729 ( 0.000 0.507 -2.176) 2.234 19.572 ( -0.000 1.393 1.504) 2.050 19.578 ( 0.000 0.313 -1.215) 1.255 19.593 ( 0.000 0.605 -0.533) 0.807 19.735 ( 0.000 -2.527 -0.722) 2.628 20.123 ( 0.000 6.077 -2.936) 6.749 20.383 ( 0.000 -0.309 -6.394) 6.401 40.207 ( -0.000 -5.635 0.986) 5.721 40.278 ( -0.000 -2.053 0.797) 2.202 40.374 ( -0.000 0.871 2.492) 2.639 40.577 ( -0.000 -0.691 0.359) 0.779 40.654 ( -0.000 1.643 5.464) 5.705 40.827 ( 0.000 1.860 -12.287) 12.427 62.301 ( -0.000 -2.801 -0.076) 2.802 62.700 ( -0.000 9.234 14.447) 17.146 62.965 ( -0.000 9.662 4.873) 10.822 63.078 ( 0.000 16.644 -27.505) 32.149 64.369 ( -0.000 -41.945 95.473) 104.281 67.499 ( 0.000 -30.868 -2.765) 30.991 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 11.386 17.690 4.576) 21.530 1.561 ( 11.490 18.325 -0.157) 21.630 1.944 ( 1.874 13.851 -2.953) 14.286 2.280 ( 5.994 18.976 3.244) 20.163 2.443 ( 9.828 22.662 25.801) 35.719 2.751 ( 0.966 8.928 -5.080) 10.317 3.081 ( 4.063 6.064 -4.119) 8.381 3.384 ( -3.395 -3.808 5.526) 7.521 3.544 ( 0.773 -5.278 -16.659) 17.492 3.768 ( -0.870 -4.897 0.770) 5.033 3.859 ( -1.554 2.360 9.154) 9.580 4.169 ( 1.966 0.458 2.552) 3.254 4.367 ( -2.078 -2.156 3.892) 4.911 4.478 ( -3.121 -9.159 -4.712) 10.763 4.695 ( -5.179 -6.428 -7.073) 10.871 4.754 ( -3.229 -8.921 -12.561) 15.741 4.851 ( -0.444 -1.640 -13.243) 13.352 5.012 ( -0.731 -1.720 5.193) 5.519 5.125 ( 4.020 7.065 -8.994) 12.123 5.337 ( 1.932 0.220 -13.504) 13.643 5.742 ( -0.313 -1.274 7.664) 7.776 5.972 ( -2.513 0.961 12.379) 12.667 6.437 ( 1.437 0.677 -0.953) 1.852 6.562 ( 0.518 2.082 -6.069) 6.437 7.847 ( -4.244 1.946 -8.689) 9.864 8.285 ( -12.285 -4.248 34.177) 36.565 8.727 ( 7.277 -1.279 26.934) 27.929 9.091 ( -0.511 -10.830 2.266) 11.077 9.360 ( -7.792 -7.121 12.066) 16.031 9.801 ( -2.807 -3.192 2.928) 5.162 9.957 ( -3.656 4.104 8.709) 10.298 10.056 ( -3.735 -1.075 -25.365) 25.661 10.208 ( 5.504 -1.999 -2.222) 6.263 10.347 ( 1.392 -2.630 -10.970) 11.366 10.555 ( 6.474 2.413 0.229) 6.913 10.936 ( 11.014 0.273 -10.711) 15.366 11.251 ( -2.873 7.487 0.936) 8.074 11.406 ( 2.251 -3.167 10.907) 11.579 11.706 ( 4.848 13.060 -12.700) 18.851 11.953 ( -5.113 12.063 -2.290) 13.300 12.515 ( 0.998 -7.277 12.760) 14.723 13.538 ( -4.283 -9.390 -5.893) 11.884 18.459 ( 0.125 -0.263 -2.670) 2.686 18.471 ( -0.344 0.279 -1.030) 1.121 18.488 ( 0.545 0.815 -0.542) 1.121 18.512 ( 1.282 0.442 -0.239) 1.377 18.632 ( -0.063 -1.534 -0.921) 1.790 18.713 ( -1.393 0.002 -1.238) 1.863 19.570 ( -0.705 0.598 -1.423) 1.697 19.589 ( 0.091 0.869 -0.186) 0.894 19.605 ( 0.312 0.965 1.051) 1.460 19.706 ( -0.410 -2.463 0.998) 2.689 20.192 ( 2.204 4.064 -0.596) 4.661 20.356 ( 0.119 -0.379 -6.306) 6.318 40.136 ( -1.844 -4.223 -0.282) 4.616 40.239 ( -1.948 -3.071 2.044) 4.172 40.413 ( 1.917 1.363 1.543) 2.813 40.556 ( -1.005 -0.909 -0.038) 1.356 40.717 ( 2.377 1.062 5.617) 6.191 40.803 ( 0.137 1.945 -11.117) 11.287 62.287 ( 0.486 -0.716 -0.268) 0.906 62.880 ( 0.567 11.866 11.605) 16.608 63.023 ( -6.246 5.288 12.553) 14.985 63.130 ( -0.199 12.357 -19.633) 23.198 64.354 ( 6.343 -22.714 58.933) 63.477 67.025 ( -12.788 -33.526 -7.458) 36.649 ======================= Grid point 22 (16/85) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 11.767 16.855 5.748) 21.345 1.940 ( 4.061 18.680 1.263) 19.158 2.151 ( 12.621 9.588 -4.567) 16.494 2.555 ( 5.397 8.440 3.086) 10.483 2.807 ( 3.271 8.957 -3.042) 10.009 2.980 ( 7.239 13.750 18.256) 23.973 3.170 ( 5.596 0.238 -0.819) 5.661 3.333 ( 2.922 -1.386 -3.175) 4.532 3.450 ( 0.479 -2.561 -16.780) 16.981 3.711 ( -1.176 -5.169 7.415) 9.115 3.853 ( -3.027 -1.143 4.619) 5.639 4.178 ( -1.926 -0.971 -1.414) 2.579 4.269 ( -5.543 -9.136 -0.140) 10.687 4.359 ( -0.889 -0.693 2.929) 3.138 4.481 ( -9.393 -9.485 -9.775) 16.545 4.513 ( -5.300 -3.862 -7.754) 10.155 4.800 ( 1.344 -0.991 -11.352) 11.474 4.993 ( -1.245 -1.533 3.672) 4.170 5.268 ( 5.879 7.628 -4.568) 10.659 5.387 ( 5.553 3.814 -10.196) 12.221 5.722 ( -2.326 -2.976 5.861) 6.973 5.941 ( -5.471 -0.637 9.404) 10.898 6.489 ( 3.116 0.875 1.306) 3.490 6.567 ( 0.089 1.381 -4.599) 4.802 7.756 ( -4.142 0.801 -4.311) 6.032 8.168 ( -9.431 -4.504 30.993) 32.708 8.822 ( -3.712 1.633 12.712) 13.343 8.916 ( -6.245 -8.597 -2.410) 10.896 9.397 ( 7.097 -1.627 21.487) 22.687 9.650 ( -7.855 -2.395 -20.039) 21.656 9.914 ( -3.312 1.428 -6.965) 7.844 9.974 ( -2.435 3.429 4.844) 6.415 10.271 ( 4.735 -2.975 -3.757) 6.737 10.330 ( 3.332 -3.342 0.181) 4.722 10.689 ( 6.622 1.564 -2.576) 7.275 11.113 ( 10.090 -1.477 -5.310) 11.497 11.231 ( -1.615 -2.462 -2.765) 4.039 11.394 ( -2.171 2.928 0.481) 3.677 11.940 ( 6.497 11.716 -7.622) 15.414 11.982 ( -4.719 13.082 0.145) 13.908 12.550 ( 6.221 -5.678 13.528) 15.936 13.295 ( -8.728 -10.521 -6.443) 15.112 18.449 ( 0.155 -0.073 -2.316) 2.322 18.469 ( -0.063 0.392 -0.369) 0.543 18.511 ( 1.008 0.779 -0.144) 1.282 18.542 ( 1.718 -0.135 0.160) 1.730 18.613 ( -0.131 -1.138 -0.481) 1.243 18.673 ( -2.304 -0.339 -0.946) 2.514 19.555 ( -0.683 0.518 -2.208) 2.369 19.597 ( 0.164 0.309 0.212) 0.409 19.626 ( 0.223 1.118 0.928) 1.469 19.679 ( -0.750 -1.780 1.964) 2.755 20.270 ( 2.647 2.220 0.687) 3.522 20.334 ( 0.190 -0.391 -5.004) 5.023 40.062 ( -2.083 -1.849 -3.206) 4.247 40.177 ( -2.228 -3.141 4.694) 6.072 40.469 ( 2.266 0.713 1.745) 2.948 40.530 ( -0.604 -0.760 -0.955) 1.362 40.759 ( 0.422 0.846 -8.734) 8.785 40.817 ( 2.027 1.325 4.591) 5.190 62.299 ( 1.061 1.322 -2.987) 3.434 62.940 ( -9.212 -4.266 26.462) 28.342 62.997 ( -2.459 11.938 -16.595) 20.590 63.223 ( -0.860 11.146 9.789) 14.860 64.612 ( 19.457 -4.361 26.879) 33.467 66.334 ( -21.443 -31.138 -13.076) 40.004 ======================= Grid point 23 (17/85) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 3.923 16.700 6.085) 18.202 2.042 ( -9.113 14.127 -0.943) 16.838 2.515 ( 12.160 6.218 0.281) 13.661 2.632 ( -3.568 3.677 2.350) 5.637 2.924 ( 6.763 -0.483 -0.196) 6.783 2.992 ( -0.805 -8.540 -6.021) 10.480 3.330 ( 1.546 -1.849 -7.068) 7.468 3.381 ( 5.397 3.858 -10.874) 12.738 3.543 ( 4.714 -3.179 8.831) 10.503 3.713 ( 6.317 2.732 8.569) 10.991 3.816 ( 1.010 0.424 4.299) 4.436 3.927 ( -14.561 -12.216 -6.661) 20.141 4.140 ( -0.925 0.275 -3.097) 3.244 4.263 ( -4.883 -0.718 -0.947) 5.025 4.349 ( -2.086 -1.985 -6.297) 6.925 4.442 ( 0.859 1.100 6.527) 6.675 4.790 ( 2.434 -0.353 -8.599) 8.944 4.969 ( -0.829 -1.245 2.176) 2.640 5.439 ( 5.897 6.580 -2.303) 9.131 5.502 ( 4.857 5.508 -9.321) 11.867 5.650 ( -3.323 -4.707 6.848) 8.949 5.849 ( -6.696 -1.697 7.757) 10.387 6.548 ( -0.503 0.347 -2.664) 2.733 6.566 ( 2.555 0.253 1.459) 2.953 7.699 ( -1.393 0.483 -2.196) 2.645 8.095 ( -7.005 -2.170 28.274) 29.209 8.687 ( -7.960 -1.369 -8.760) 11.915 8.857 ( 0.576 -1.569 11.701) 11.820 9.338 ( -7.989 -5.291 -30.162) 31.648 9.611 ( 4.431 2.213 14.156) 14.997 9.869 ( -3.448 3.623 -1.592) 5.249 10.013 ( 2.284 0.702 6.083) 6.535 10.281 ( 3.611 -4.505 -5.705) 8.117 10.405 ( 2.365 1.581 12.718) 13.032 10.805 ( 7.128 0.499 -7.011) 10.011 11.039 ( -4.547 -8.475 -3.237) 10.147 11.309 ( 7.093 1.283 -4.537) 8.517 11.402 ( -3.121 7.117 -3.223) 8.414 12.041 ( -1.404 10.151 2.978) 10.672 12.061 ( -1.198 3.107 1.234) 3.552 12.757 ( 14.836 0.107 7.309) 16.539 12.965 ( -12.684 -10.881 -7.203) 18.198 18.447 ( 0.351 0.094 -1.232) 1.284 18.475 ( 0.134 0.608 0.737) 0.965 18.536 ( 1.212 0.242 -0.784) 1.464 18.560 ( 0.720 -1.005 -0.614) 1.380 18.612 ( 0.407 0.252 0.478) 0.677 18.623 ( -1.736 -0.568 -0.313) 1.853 19.544 ( -0.079 0.352 -2.232) 2.261 19.603 ( 0.086 -0.012 0.865) 0.869 19.638 ( -0.240 0.584 -0.192) 0.660 19.658 ( -0.822 -0.683 1.994) 2.263 20.313 ( 0.133 -0.353 -3.047) 3.070 20.338 ( 2.170 0.957 1.261) 2.686 40.004 ( -1.233 -0.326 -4.546) 4.722 40.144 ( -0.711 -1.890 5.672) 6.021 40.508 ( -0.397 -0.675 -1.071) 1.327 40.520 ( 1.790 0.134 2.403) 2.999 40.723 ( -0.857 0.494 -9.646) 9.697 40.890 ( 2.099 0.708 5.995) 6.391 62.323 ( 1.383 2.174 -6.262) 6.771 62.815 ( -8.634 -6.783 27.937) 30.017 62.971 ( -3.239 7.349 -21.639) 23.082 63.359 ( -3.718 11.882 16.882) 20.977 65.125 ( 29.339 3.221 11.276) 31.596 65.561 ( -25.427 -24.456 -16.322) 38.872 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -16.924 5.798 -1.244) 17.933 2.180 ( -9.084 14.096 6.887) 18.129 2.432 ( -12.483 -4.006 -4.752) 13.945 2.657 ( -3.786 1.125 2.304) 4.572 2.861 ( -0.791 -8.384 -1.707) 8.593 3.132 ( 12.341 1.584 -0.275) 12.445 3.236 ( -8.181 -4.966 -8.793) 12.996 3.306 ( -14.344 -5.557 -0.734) 15.401 3.557 ( 4.191 1.783 -6.644) 8.055 3.621 ( 3.995 -3.146 -1.571) 5.322 3.778 ( -2.624 0.794 7.933) 8.394 4.102 ( 9.314 0.039 -0.749) 9.344 4.151 ( 3.565 1.289 1.506) 4.079 4.265 ( 1.491 1.354 -1.133) 2.311 4.323 ( 9.041 1.596 1.576) 9.315 4.517 ( 3.088 1.303 3.761) 5.038 4.813 ( 2.865 0.257 -4.381) 5.240 4.960 ( 0.347 -0.680 1.172) 1.398 5.502 ( -5.853 0.922 -1.920) 6.228 5.578 ( 3.559 4.030 -1.796) 5.669 5.637 ( 2.010 -0.981 0.990) 2.446 5.749 ( -3.813 -1.322 5.709) 6.991 6.509 ( -1.823 -0.645 -1.869) 2.689 6.617 ( 1.695 -0.025 1.451) 2.232 7.699 ( 1.438 0.409 -1.317) 1.992 8.103 ( -3.291 2.198 26.975) 27.263 8.498 ( -5.868 -3.247 -18.507) 19.684 8.926 ( 2.703 0.737 8.514) 8.963 9.067 ( -3.587 -4.111 -19.787) 20.525 9.717 ( 1.218 2.493 4.592) 5.365 9.838 ( -3.541 3.075 -1.207) 4.843 10.107 ( 6.385 -1.996 3.649) 7.620 10.277 ( 2.192 -3.061 -2.483) 4.510 10.521 ( 0.123 4.985 15.976) 16.736 10.821 ( -2.088 -7.455 -11.750) 14.071 10.941 ( 4.913 0.721 -3.705) 6.196 11.376 ( -1.658 3.289 -2.100) 4.240 11.392 ( -2.642 2.564 -0.551) 3.723 12.025 ( -3.746 -1.142 3.866) 5.503 12.156 ( 1.441 8.198 6.207) 10.383 12.576 ( -14.980 -9.746 -8.609) 19.837 13.077 ( 16.581 1.394 2.620) 16.845 18.452 ( 0.420 0.077 -0.356) 0.556 18.490 ( 0.156 0.840 1.315) 1.568 18.537 ( 0.156 -1.289 -1.451) 1.947 18.559 ( -0.727 -0.008 -0.088) 0.733 18.585 ( -0.086 0.122 -0.539) 0.560 18.650 ( 2.012 0.159 0.940) 2.226 19.547 ( 0.913 0.186 -1.317) 1.613 19.606 ( -0.063 -0.038 0.718) 0.722 19.624 ( -1.164 -0.203 0.046) 1.182 19.653 ( -0.331 0.233 0.481) 0.629 20.296 ( -0.725 -0.308 -1.156) 1.399 20.386 ( 1.795 0.313 1.095) 2.126 39.986 ( 1.041 0.139 -2.922) 3.105 40.153 ( 0.854 -0.329 3.583) 3.698 40.484 ( -1.166 -0.605 -0.854) 1.567 40.563 ( 1.572 0.038 3.230) 3.593 40.672 ( -1.496 0.024 -7.153) 7.308 40.943 ( 1.161 0.270 3.635) 3.825 62.338 ( 0.930 1.087 -6.012) 6.180 62.723 ( -6.045 -3.170 20.809) 21.900 62.882 ( -3.668 2.003 -16.222) 16.752 63.448 ( -5.157 9.387 12.516) 16.473 64.832 ( -26.283 -14.568 -14.130) 33.207 65.777 ( 35.295 3.724 3.955) 35.710 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -20.662 0.000 0.000) 20.662 1.969 ( -23.087 0.000 0.000) 23.087 2.171 ( -11.128 0.000 0.000) 11.128 2.532 ( -10.229 0.000 0.000) 10.229 2.700 ( -32.445 0.000 0.000) 32.445 2.810 ( -0.964 0.000 0.000) 0.964 3.232 ( -1.358 0.000 0.000) 1.358 3.274 ( 0.015 -0.000 -0.000) 0.015 3.614 ( 6.120 -0.000 -0.000) 6.120 3.710 ( 1.199 -0.000 -0.000) 1.199 3.786 ( 2.661 -0.000 -0.000) 2.661 4.165 ( 1.645 -0.000 -0.000) 1.645 4.250 ( 4.101 -0.000 -0.000) 4.101 4.321 ( 8.428 -0.000 -0.000) 8.428 4.604 ( 5.265 -0.000 -0.000) 5.265 4.643 ( 17.474 -0.000 -0.000) 17.474 4.862 ( 3.311 -0.000 -0.000) 3.311 4.979 ( 1.998 -0.000 -0.000) 1.998 5.388 ( -6.185 0.000 0.000) 6.185 5.583 ( -4.848 0.000 0.000) 4.848 5.637 ( 0.980 -0.000 -0.000) 0.980 5.764 ( 1.906 -0.000 -0.000) 1.906 6.471 ( -1.427 0.000 0.000) 1.427 6.635 ( 0.191 -0.000 -0.000) 0.191 7.740 ( 3.010 -0.000 -0.000) 3.010 8.233 ( 4.005 -0.000 -0.000) 4.005 8.253 ( -8.206 0.000 0.000) 8.206 8.969 ( 2.803 -0.000 -0.000) 2.803 9.073 ( 6.966 -0.000 -0.000) 6.966 9.761 ( 1.357 -0.000 -0.000) 1.357 9.790 ( -3.310 0.000 0.000) 3.310 10.216 ( 5.957 -0.000 -0.000) 5.957 10.284 ( 1.212 -0.000 -0.000) 1.212 10.590 ( -1.742 0.000 0.000) 1.742 10.669 ( -4.234 0.000 0.000) 4.234 11.046 ( 5.513 -0.000 -0.000) 5.513 11.325 ( -6.457 0.000 0.000) 6.457 11.329 ( -3.846 0.000 0.000) 3.846 11.958 ( -3.808 0.000 0.000) 3.808 12.162 ( -19.175 0.000 0.000) 19.175 12.317 ( 6.088 -0.000 -0.000) 6.088 13.371 ( 14.525 -0.000 -0.000) 14.525 18.459 ( 0.315 -0.000 -0.000) 0.315 18.499 ( -0.281 0.000 0.000) 0.281 18.523 ( -0.360 0.000 0.000) 0.360 18.535 ( -1.025 0.000 0.000) 1.025 18.606 ( 1.601 -0.000 -0.000) 1.601 18.691 ( 2.102 -0.000 -0.000) 2.102 19.569 ( 1.509 -0.000 -0.000) 1.509 19.598 ( -1.458 0.000 0.000) 1.458 19.605 ( -0.267 0.000 0.000) 0.267 19.654 ( 0.467 -0.000 -0.000) 0.467 20.271 ( -1.752 0.000 0.000) 1.752 20.416 ( 1.205 -0.000 -0.000) 1.205 40.025 ( 3.802 -0.000 -0.000) 3.802 40.185 ( 1.839 -0.000 -0.000) 1.839 40.449 ( -2.088 0.000 0.000) 2.088 40.599 ( 1.229 -0.000 -0.000) 1.229 40.624 ( -1.760 0.000 0.000) 1.760 40.963 ( 0.050 -0.000 -0.000) 0.050 62.340 ( 0.422 -0.000 -0.000) 0.422 62.670 ( -4.047 0.000 0.000) 4.047 62.788 ( -2.929 0.000 0.000) 2.929 63.447 ( -4.108 0.000 0.000) 4.108 64.250 ( -25.751 0.000 0.000) 25.751 66.461 ( 37.177 -0.000 -0.000) 37.177 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.000 16.675 2.710) 16.894 1.577 ( 0.000 11.488 -3.770) 12.090 2.100 ( 0.000 16.053 1.000) 16.084 2.427 ( -0.000 16.587 1.713) 16.675 2.685 ( -0.000 19.515 24.980) 31.699 2.819 ( 0.000 11.137 -10.523) 15.322 3.121 ( 0.000 9.862 -1.715) 10.010 3.388 ( 0.000 -7.057 -17.824) 19.170 3.423 ( -0.000 -2.339 6.945) 7.328 3.710 ( -0.000 -7.817 0.652) 7.845 3.941 ( -0.000 1.432 10.448) 10.546 4.170 ( -0.000 0.753 2.448) 2.561 4.351 ( -0.000 -5.917 1.211) 6.039 4.404 ( 0.000 -6.413 -3.637) 7.373 4.619 ( 0.000 -8.411 -15.344) 17.498 4.682 ( 0.000 -6.052 -1.730) 6.295 4.782 ( 0.000 -2.494 -13.414) 13.644 5.017 ( -0.000 -0.460 1.389) 1.463 5.140 ( 0.000 6.797 -2.428) 7.218 5.265 ( 0.000 0.425 -12.277) 12.284 5.760 ( -0.000 -1.166 5.544) 5.665 6.046 ( -0.000 0.068 10.742) 10.742 6.426 ( 0.000 0.850 -1.483) 1.709 6.563 ( 0.000 2.773 -4.583) 5.357 7.866 ( 0.000 0.546 -7.825) 7.844 8.412 ( -0.000 -12.333 25.406) 28.242 8.893 ( -0.000 14.441 41.710) 44.139 8.981 ( 0.000 -9.569 -1.251) 9.651 9.416 ( -0.000 -7.227 7.607) 10.492 9.736 ( -0.000 -8.331 1.822) 8.528 9.984 ( 0.000 -0.914 -25.705) 25.722 10.036 ( 0.000 2.058 -2.886) 3.544 10.196 ( -0.000 1.270 12.155) 12.221 10.280 ( 0.000 -1.279 -12.476) 12.542 10.490 ( 0.000 1.743 -0.894) 1.959 10.794 ( 0.000 1.092 -10.370) 10.427 11.329 ( -0.000 -9.818 5.890) 11.450 11.385 ( -0.000 6.346 3.100) 7.062 11.770 ( 0.000 19.180 -17.118) 25.708 12.120 ( 0.000 11.836 -0.569) 11.850 12.464 ( -0.000 -10.293 14.592) 17.857 13.458 ( 0.000 -9.513 -5.522) 10.999 18.444 ( 0.000 -0.212 -2.675) 2.684 18.474 ( 0.000 0.159 -2.252) 2.258 18.484 ( -0.000 0.390 0.232) 0.454 18.512 ( -0.000 1.095 0.603) 1.250 18.613 ( 0.000 -1.505 -1.039) 1.829 18.724 ( 0.000 -0.023 -0.414) 0.414 19.580 ( 0.000 0.610 -0.770) 0.982 19.594 ( 0.000 0.815 -1.111) 1.378 19.619 ( -0.000 1.053 1.825) 2.107 19.685 ( -0.000 -2.221 0.425) 2.261 20.212 ( -0.000 3.365 0.432) 3.392 20.327 ( 0.000 -0.403 -5.839) 5.853 40.107 ( -0.000 -4.523 1.204) 4.681 40.234 ( 0.000 -1.945 -0.889) 2.138 40.415 ( -0.000 1.954 0.335) 1.982 40.554 ( -0.000 -2.190 1.628) 2.729 40.722 ( -0.000 1.011 3.133) 3.292 40.787 ( 0.000 2.168 -7.559) 7.864 62.285 ( -0.000 0.094 2.569) 2.571 63.064 ( -0.000 11.935 11.227) 16.386 63.147 ( 0.000 9.136 -24.736) 26.369 63.222 ( -0.000 11.779 12.685) 17.311 64.249 ( -0.000 -23.104 52.160) 57.048 66.746 ( 0.000 -35.143 -10.233) 36.602 ======================= Grid point 31 (21/85) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 11.831 13.297 2.533) 17.978 1.804 ( 15.248 7.232 -2.990) 17.140 2.248 ( -1.456 13.812 1.094) 13.932 2.605 ( 1.932 10.590 4.648) 11.725 2.882 ( -0.671 11.792 -10.471) 15.785 3.004 ( 10.634 7.174 10.222) 16.402 3.168 ( -6.277 1.737 -1.276) 6.637 3.308 ( 1.567 4.094 -2.437) 5.016 3.388 ( -3.191 -2.375 -2.734) 4.827 3.664 ( 3.483 -6.278 5.425) 8.999 3.914 ( -4.584 -3.873 2.282) 6.420 4.182 ( 0.529 -1.223 -0.294) 1.364 4.260 ( -3.488 -6.369 0.318) 7.269 4.353 ( 0.063 -2.559 -2.177) 3.361 4.472 ( -2.974 -6.027 -3.271) 7.475 4.562 ( -5.724 -3.032 -3.855) 7.537 4.721 ( 1.221 -2.003 -11.367) 11.607 5.010 ( -0.854 -0.584 1.346) 1.697 5.237 ( 4.017 5.842 -2.176) 7.416 5.282 ( 4.958 1.793 -7.463) 9.138 5.751 ( -1.451 -1.617 3.627) 4.228 6.044 ( -3.394 -0.925 6.616) 7.493 6.452 ( 2.229 0.839 -0.094) 2.384 6.576 ( -0.307 2.398 -2.684) 3.612 7.810 ( -3.170 -0.254 -4.592) 5.586 8.348 ( -5.647 -6.558 23.682) 25.214 8.857 ( -1.947 -7.054 -1.983) 7.582 9.142 ( -10.235 10.783 22.882) 27.287 9.331 ( 2.916 -4.369 12.873) 13.903 9.677 ( -4.011 -0.518 -17.246) 17.714 9.889 ( 2.520 -4.307 -0.800) 5.053 10.031 ( -0.692 0.957 -5.303) 5.433 10.168 ( 0.831 -4.325 -15.402) 16.020 10.301 ( 0.874 4.247 17.522) 18.050 10.584 ( 6.015 0.302 -0.639) 6.056 10.869 ( 10.421 1.254 -9.376) 14.073 11.196 ( -2.527 -10.913 -1.616) 11.317 11.457 ( 0.211 4.488 1.280) 4.672 11.952 ( 3.950 18.100 -14.473) 23.509 12.199 ( -3.869 10.777 1.318) 11.526 12.431 ( 3.282 -11.063 14.801) 18.768 13.298 ( -5.115 -8.936 -4.807) 11.363 18.435 ( 0.209 -0.126 -1.897) 1.913 18.469 ( 0.222 0.338 -1.234) 1.299 18.496 ( 0.779 0.139 -0.140) 0.803 18.528 ( 0.411 0.709 0.696) 1.075 18.596 ( 0.209 -1.140 -0.755) 1.384 18.707 ( -1.682 -0.105 -0.177) 1.695 19.573 ( -1.096 0.559 -0.917) 1.535 19.599 ( 0.061 0.496 -0.514) 0.717 19.636 ( 0.161 0.896 0.940) 1.309 19.670 ( 0.251 -1.677 1.045) 1.991 20.257 ( 1.449 1.971 0.630) 2.527 20.307 ( 0.326 -0.312 -4.159) 4.183 40.062 ( -1.012 -2.599 0.014) 2.789 40.194 ( -1.671 -1.790 0.037) 2.449 40.450 ( 1.407 1.599 0.182) 2.138 40.529 ( -0.589 -1.827 0.994) 2.162 40.737 ( 0.188 0.718 -4.276) 4.340 40.807 ( 1.720 1.389 1.415) 2.625 62.301 ( 0.057 1.040 1.700) 1.994 63.091 ( -4.531 4.521 -15.654) 16.912 63.134 ( -5.197 3.366 7.823) 9.977 63.427 ( -0.396 15.524 17.254) 23.213 64.340 ( 12.983 -10.090 27.350) 31.912 66.256 ( -11.050 -30.029 -12.607) 34.392 ======================= Grid point 32 (22/85) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 15.212 9.293 2.454) 17.994 2.199 ( 20.391 4.439 -0.456) 20.873 2.322 ( -3.082 8.090 -0.756) 8.691 2.730 ( 0.645 4.657 5.195) 7.006 2.917 ( -3.431 4.976 -5.113) 7.916 3.001 ( -8.420 -2.342 -1.632) 8.891 3.202 ( 1.367 -8.217 -8.811) 12.125 3.295 ( 9.342 -1.254 -1.459) 9.538 3.483 ( 3.309 11.934 11.370) 16.812 3.702 ( -0.644 -2.874 1.499) 3.305 3.800 ( 1.431 -2.812 0.142) 3.159 4.052 ( -12.007 -7.222 -2.851) 14.299 4.151 ( -1.503 -1.404 -2.226) 3.031 4.307 ( -1.368 -1.139 -1.461) 2.302 4.370 ( -4.433 -0.826 -1.194) 4.665 4.474 ( -1.756 0.354 3.365) 3.813 4.708 ( 2.853 -0.825 -6.367) 7.025 4.987 ( -1.405 -0.475 0.814) 1.692 5.377 ( 6.765 4.349 -3.343) 8.709 5.398 ( 6.992 1.403 -1.607) 7.310 5.701 ( -3.468 -1.639 2.341) 4.494 5.967 ( -5.727 -1.116 3.344) 6.725 6.513 ( 3.414 0.435 0.746) 3.521 6.572 ( -1.380 0.988 -1.388) 2.192 7.735 ( -3.122 -0.187 -1.533) 3.483 8.265 ( -6.195 -2.574 15.078) 16.503 8.745 ( -3.100 -4.200 -3.740) 6.422 9.041 ( -12.132 5.285 17.723) 22.118 9.330 ( -7.288 -3.401 -23.363) 24.708 9.593 ( 3.914 1.398 8.852) 9.779 9.935 ( 0.017 1.008 4.802) 4.906 9.999 ( -0.754 -0.601 -3.513) 3.643 10.132 ( 5.384 -3.416 -8.732) 10.813 10.460 ( 2.912 5.551 18.345) 19.386 10.661 ( 5.254 -1.847 -7.527) 9.363 11.004 ( -1.476 -5.912 -2.873) 6.736 11.103 ( 11.443 -1.009 -6.058) 12.986 11.493 ( -1.174 3.579 -0.729) 3.837 12.093 ( 0.209 6.271 -4.096) 7.494 12.229 ( -4.470 7.753 1.690) 9.107 12.518 ( 11.990 -4.213 7.086) 14.551 13.060 ( -10.365 -6.624 -3.556) 12.804 18.435 ( 0.436 -0.023 -0.842) 0.949 18.480 ( 0.511 0.799 0.361) 1.015 18.507 ( 0.921 -0.730 -1.139) 1.637 18.543 ( 0.502 0.184 0.307) 0.617 18.597 ( 0.898 -0.295 0.003) 0.945 18.665 ( -2.646 -0.109 -0.106) 2.650 19.552 ( -1.089 0.254 -0.857) 1.409 19.603 ( 0.138 0.130 0.130) 0.229 19.646 ( -0.109 0.438 -0.160) 0.479 19.665 ( -0.012 -0.657 1.229) 1.394 20.293 ( 0.811 0.011 -1.585) 1.780 20.313 ( 1.743 0.557 0.108) 1.833 40.018 ( -1.758 -0.620 -1.350) 2.302 40.154 ( -1.059 -1.247 1.589) 2.281 40.492 ( 1.729 0.649 0.506) 1.915 40.509 ( -0.275 -0.863 0.166) 0.921 40.718 ( -0.872 0.426 -4.284) 4.392 40.868 ( 2.688 0.497 2.543) 3.733 62.317 ( 0.125 1.133 -0.623) 1.299 62.970 ( -6.803 -2.930 5.969) 9.512 63.067 ( -6.510 4.078 -5.985) 9.738 63.599 ( -2.777 10.531 12.340) 16.459 64.690 ( 23.980 -1.146 8.477) 25.460 65.685 ( -18.989 -17.648 -10.306) 27.897 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -12.306 0.000 0.000) 12.306 2.292 ( 8.273 -0.000 -0.000) 8.273 2.580 ( 9.668 -0.000 -0.000) 9.668 2.681 ( -9.702 0.000 0.000) 9.702 2.832 ( -0.658 0.000 0.000) 0.658 2.921 ( 3.788 -0.000 -0.000) 3.788 3.170 ( 2.229 -0.000 -0.000) 2.229 3.426 ( 7.569 -0.000 -0.000) 7.569 3.572 ( -2.951 0.000 0.000) 2.951 3.698 ( -20.812 0.000 0.000) 20.812 3.828 ( 17.443 -0.000 -0.000) 17.443 3.847 ( 0.140 -0.000 -0.000) 0.140 4.114 ( 0.052 -0.000 -0.000) 0.052 4.271 ( -1.574 0.000 0.000) 1.574 4.302 ( -2.317 0.000 0.000) 2.317 4.487 ( 1.591 -0.000 -0.000) 1.591 4.749 ( 3.225 -0.000 -0.000) 3.225 4.964 ( -0.896 0.000 0.000) 0.896 5.511 ( 5.299 -0.000 -0.000) 5.299 5.534 ( 7.472 -0.000 -0.000) 7.472 5.616 ( -5.268 0.000 0.000) 5.268 5.855 ( -6.535 0.000 0.000) 6.535 6.540 ( -2.136 0.000 0.000) 2.136 6.577 ( 3.051 -0.000 -0.000) 3.051 7.694 ( -1.007 0.000 0.000) 1.007 8.199 ( -2.915 0.000 0.000) 2.915 8.615 ( -8.737 0.000 0.000) 8.737 8.978 ( -3.783 0.000 0.000) 3.783 9.076 ( -7.904 0.000 0.000) 7.904 9.707 ( 3.455 -0.000 -0.000) 3.455 9.917 ( -3.212 0.000 0.000) 3.212 10.002 ( 3.422 -0.000 -0.000) 3.422 10.197 ( 4.482 -0.000 -0.000) 4.482 10.605 ( 1.068 -0.000 -0.000) 1.068 10.694 ( 5.155 -0.000 -0.000) 5.155 10.910 ( -1.859 0.000 0.000) 1.859 11.300 ( 9.135 -0.000 -0.000) 9.135 11.474 ( -3.001 0.000 0.000) 3.001 12.087 ( -2.556 0.000 0.000) 2.556 12.211 ( -1.969 0.000 0.000) 1.969 12.781 ( 2.147 -0.000 -0.000) 2.147 12.789 ( -0.148 0.000 0.000) 0.148 18.443 ( 0.530 -0.000 -0.000) 0.530 18.498 ( 0.108 -0.000 -0.000) 0.108 18.512 ( 1.051 -0.000 -0.000) 1.051 18.555 ( 0.672 -0.000 -0.000) 0.672 18.615 ( -2.601 0.000 0.000) 2.601 18.619 ( 1.638 -0.000 -0.000) 1.638 19.539 ( -0.223 0.000 0.000) 0.223 19.606 ( 0.106 -0.000 -0.000) 0.106 19.640 ( -0.690 0.000 0.000) 0.690 19.662 ( -0.331 0.000 0.000) 0.331 20.297 ( 0.143 -0.000 -0.000) 0.143 20.354 ( 2.128 -0.000 -0.000) 2.128 39.983 ( -1.167 0.000 0.000) 1.167 40.145 ( 0.266 -0.000 -0.000) 0.266 40.496 ( -0.660 0.000 0.000) 0.660 40.533 ( 2.111 -0.000 -0.000) 2.111 40.688 ( -1.570 0.000 0.000) 1.570 40.921 ( 2.199 -0.000 -0.000) 2.199 62.325 ( 0.334 -0.000 -0.000) 0.334 62.852 ( -6.133 0.000 0.000) 6.133 62.956 ( -6.268 0.000 0.000) 6.268 63.614 ( -4.525 0.000 0.000) 4.525 65.177 ( -19.507 0.000 0.000) 19.507 65.204 ( 26.510 -0.000 -0.000) 26.510 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.000 7.511 1.051) 7.584 1.698 ( 0.000 3.364 -2.349) 4.103 2.379 ( -0.000 7.660 1.719) 7.851 2.691 ( -0.000 4.638 4.337) 6.350 2.965 ( -0.000 1.940 2.520) 3.180 2.985 ( 0.000 15.320 -16.150) 22.261 3.164 ( -0.000 -8.316 1.050) 8.383 3.406 ( -0.000 2.977 3.974) 4.965 3.504 ( -0.000 13.788 7.633) 15.759 3.520 ( 0.000 -8.069 -0.786) 8.107 3.889 ( 0.000 -10.837 -1.497) 10.940 4.151 ( 0.000 -1.357 -0.846) 1.599 4.274 ( -0.000 -1.343 2.932) 3.225 4.289 ( 0.000 -3.633 -6.931) 7.826 4.483 ( -0.000 0.264 9.576) 9.579 4.595 ( 0.000 -1.408 -0.960) 1.705 4.627 ( 0.000 -2.477 -13.695) 13.917 5.019 ( -0.000 -0.093 0.358) 0.370 5.218 ( 0.000 0.796 -4.723) 4.789 5.242 ( 0.000 2.887 0.053) 2.888 5.762 ( -0.000 -0.803 1.690) 1.871 6.087 ( -0.000 -0.700 3.149) 3.226 6.434 ( 0.000 0.464 -0.423) 0.628 6.597 ( 0.000 1.749 -0.915) 1.974 7.822 ( 0.000 -0.425 -2.734) 2.767 8.427 ( -0.000 -3.279 16.793) 17.110 8.793 ( 0.000 -4.200 -7.528) 8.621 9.290 ( -0.000 -1.699 8.214) 8.388 9.546 ( -0.000 13.446 24.441) 27.896 9.602 ( 0.000 -3.082 -2.245) 3.813 9.824 ( 0.000 -1.029 -9.055) 9.114 10.011 ( 0.000 -8.673 -16.947) 19.037 10.024 ( 0.000 0.153 -3.825) 3.828 10.429 ( -0.000 3.176 15.208) 15.536 10.507 ( 0.000 0.526 -0.439) 0.685 10.759 ( 0.000 2.344 -7.893) 8.234 11.097 ( 0.000 -9.379 -3.126) 9.886 11.492 ( -0.000 2.251 1.143) 2.524 12.056 ( 0.000 18.466 -16.014) 24.443 12.323 ( -0.000 -14.053 15.508) 20.928 12.330 ( -0.000 6.505 0.735) 6.546 13.255 ( 0.000 -5.501 -2.715) 6.135 18.427 ( 0.000 -0.063 -1.001) 1.003 18.461 ( 0.000 0.004 -1.101) 1.102 18.495 ( -0.000 0.322 0.293) 0.435 18.535 ( -0.000 0.503 0.482) 0.697 18.581 ( 0.000 -0.762 -0.545) 0.937 18.722 ( 0.000 -0.055 -0.012) 0.057 19.589 ( 0.000 0.519 -0.336) 0.618 19.600 ( 0.000 0.338 -0.460) 0.571 19.645 ( -0.000 0.440 0.724) 0.847 19.652 ( -0.000 -1.096 0.345) 1.149 20.263 ( -0.000 1.085 0.494) 1.192 20.288 ( 0.000 -0.201 -2.382) 2.391 40.048 ( -0.000 -1.660 0.479) 1.727 40.196 ( 0.000 -0.782 -0.764) 1.094 40.456 ( 0.000 1.966 -0.825) 2.132 40.518 ( -0.000 -2.175 1.543) 2.666 40.731 ( 0.000 0.389 -1.773) 1.815 40.804 ( -0.000 0.872 0.430) 0.972 62.319 ( -0.000 0.709 2.004) 2.126 63.115 ( 0.000 1.968 -10.309) 10.495 63.240 ( -0.000 3.051 1.152) 3.261 63.642 ( -0.000 11.736 13.087) 17.578 64.204 ( -0.000 -6.969 16.883) 18.265 66.046 ( 0.000 -19.521 -9.088) 21.533 ======================= Grid point 41 (25/85) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 12.661 -0.000 -0.000) 12.661 1.861 ( 15.794 -0.000 -0.000) 15.794 2.413 ( -1.246 0.000 0.000) 1.246 2.738 ( 1.709 -0.000 -0.000) 1.709 3.035 ( -4.613 0.000 0.000) 4.613 3.042 ( 5.495 -0.000 -0.000) 5.495 3.121 ( 5.355 -0.000 -0.000) 5.355 3.230 ( -12.586 0.000 0.000) 12.586 3.620 ( -2.241 0.000 0.000) 2.241 3.620 ( 7.530 -0.000 -0.000) 7.530 3.759 ( -2.223 0.000 0.000) 2.223 4.146 ( 0.238 -0.000 -0.000) 0.238 4.177 ( -6.507 0.000 0.000) 6.507 4.302 ( 0.878 -0.000 -0.000) 0.878 4.461 ( -5.542 0.000 0.000) 5.542 4.532 ( -3.050 0.000 0.000) 3.050 4.631 ( 3.225 -0.000 -0.000) 3.225 5.009 ( -1.007 0.000 0.000) 1.007 5.266 ( 5.525 -0.000 -0.000) 5.525 5.303 ( 4.692 -0.000 -0.000) 4.692 5.745 ( -1.791 0.000 0.000) 1.791 6.053 ( -3.683 0.000 0.000) 3.683 6.461 ( 2.545 -0.000 -0.000) 2.545 6.597 ( -0.814 0.000 0.000) 0.814 7.787 ( -2.758 0.000 0.000) 2.758 8.390 ( -5.487 0.000 0.000) 5.487 8.744 ( -0.985 0.000 0.000) 0.985 9.321 ( 1.120 -0.000 -0.000) 1.120 9.379 ( -14.441 0.000 0.000) 14.441 9.640 ( -8.428 0.000 0.000) 8.428 9.884 ( 9.894 -0.000 -0.000) 9.894 9.971 ( 2.898 -0.000 -0.000) 2.898 10.020 ( 0.386 -0.000 -0.000) 0.386 10.512 ( 3.426 -0.000 -0.000) 3.426 10.529 ( 2.161 -0.000 -0.000) 2.161 10.860 ( 10.517 -0.000 -0.000) 10.517 11.013 ( -2.319 0.000 0.000) 2.319 11.512 ( 0.467 -0.000 -0.000) 0.467 12.137 ( -0.725 0.000 0.000) 0.725 12.321 ( 7.167 -0.000 -0.000) 7.167 12.341 ( -2.789 0.000 0.000) 2.789 13.167 ( -5.824 0.000 0.000) 5.824 18.427 ( 0.263 -0.000 -0.000) 0.263 18.468 ( 0.929 -0.000 -0.000) 0.929 18.497 ( -0.018 0.000 0.000) 0.018 18.540 ( 0.180 -0.000 -0.000) 0.180 18.581 ( 0.538 -0.000 -0.000) 0.538 18.705 ( -1.735 0.000 0.000) 1.735 19.576 ( -1.382 0.000 0.000) 1.382 19.602 ( 0.069 -0.000 -0.000) 0.069 19.648 ( 0.082 -0.000 -0.000) 0.082 19.657 ( 0.613 -0.000 -0.000) 0.613 20.277 ( 0.706 -0.000 -0.000) 0.706 20.290 ( 0.945 -0.000 -0.000) 0.945 40.035 ( -0.722 0.000 0.000) 0.722 40.175 ( -1.510 0.000 0.000) 1.510 40.474 ( 0.892 -0.000 -0.000) 0.892 40.507 ( -0.087 0.000 0.000) 0.087 40.726 ( -0.493 0.000 0.000) 0.493 40.830 ( 2.108 -0.000 -0.000) 2.108 62.325 ( -0.220 0.000 0.000) 0.220 63.064 ( -4.289 0.000 0.000) 4.289 63.198 ( -5.892 0.000 0.000) 5.892 63.723 ( -1.329 0.000 0.000) 1.329 64.341 ( 14.899 -0.000 -0.000) 14.899 65.829 ( -10.195 0.000 0.000) 10.195 ======================= Grid point 93 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -0.000 0.000 23.834) 23.834 0.278 ( -0.000 0.000 23.834) 23.834 0.799 ( -0.000 0.000 66.575) 66.575 1.543 ( 0.000 -0.000 -6.095) 6.095 1.543 ( 0.000 -0.000 -6.095) 6.095 2.537 ( 0.000 -0.000 -3.223) 3.223 2.730 ( 0.000 -0.000 -0.653) 0.653 3.619 ( -0.000 0.000 10.495) 10.495 3.756 ( -0.000 0.000 2.695) 2.695 3.756 ( -0.000 0.000 2.695) 2.695 3.933 ( 0.000 -0.000 -19.421) 19.421 4.157 ( -0.000 0.000 4.064) 4.064 4.157 ( -0.000 0.000 4.064) 4.064 4.836 ( 0.000 -0.000 -7.102) 7.102 4.912 ( 0.000 -0.000 -7.583) 7.583 4.912 ( 0.000 -0.000 -7.583) 7.583 5.047 ( -0.000 0.000 6.370) 6.370 5.134 ( 0.000 -0.000 -17.579) 17.579 5.134 ( 0.000 -0.000 -17.579) 17.579 5.599 ( 0.000 -0.000 -14.503) 14.503 5.666 ( -0.000 0.000 16.949) 16.949 5.666 ( -0.000 0.000 16.949) 16.949 6.439 ( 0.000 -0.000 -2.536) 2.536 6.439 ( 0.000 -0.000 -2.536) 2.536 7.879 ( -0.000 0.000 16.015) 16.015 7.879 ( -0.000 0.000 16.015) 16.015 9.602 ( -0.000 0.000 3.116) 3.116 9.602 ( -0.000 0.000 3.116) 3.116 9.773 ( 0.000 -0.000 -5.692) 5.692 9.773 ( 0.000 -0.000 -5.692) 5.692 9.939 ( -0.000 0.000 9.153) 9.153 10.338 ( 0.000 -0.000 -12.730) 12.730 10.338 ( 0.000 -0.000 -12.730) 12.730 10.470 ( -0.000 0.000 3.416) 3.416 10.470 ( -0.000 0.000 3.416) 3.416 10.703 ( 0.000 -0.000 -5.309) 5.309 10.988 ( 0.000 -0.000 -1.890) 1.890 10.988 ( 0.000 -0.000 -1.890) 1.890 11.599 ( 0.000 -0.000 -9.813) 9.813 11.720 ( -0.000 0.000 14.579) 14.579 12.620 ( -0.000 0.000 5.901) 5.901 13.907 ( 0.000 -0.000 -5.607) 5.607 18.456 ( -0.000 0.000 0.083) 0.083 18.456 ( -0.000 0.000 0.083) 0.083 18.478 ( 0.000 -0.000 -0.431) 0.431 18.478 ( 0.000 -0.000 -0.431) 0.431 18.512 ( 0.000 -0.000 -3.930) 3.930 18.699 ( -0.000 0.000 0.606) 0.606 19.528 ( -0.000 0.000 1.440) 1.440 19.528 ( -0.000 0.000 1.440) 1.440 19.580 ( 0.000 -0.000 -1.173) 1.173 19.580 ( 0.000 -0.000 -1.173) 1.173 19.919 ( -0.000 0.000 8.838) 8.838 20.411 ( 0.000 -0.000 -5.737) 5.737 40.306 ( -0.000 0.000 0.069) 0.069 40.306 ( 0.000 0.000 0.069) 0.069 40.447 ( -0.000 0.000 9.530) 9.530 40.564 ( -0.000 -0.000 -0.139) 0.139 40.564 ( 0.000 -0.000 -0.139) 0.139 40.846 ( 0.000 -0.000 -9.359) 9.359 62.509 ( -0.000 0.000 0.323) 0.323 62.509 ( -0.000 0.000 0.323) 0.323 62.596 ( 0.000 -0.000 -0.462) 0.462 62.596 ( 0.000 -0.000 -0.462) 0.462 68.103 ( 0.000 -0.000 -3.368) 3.368 68.201 ( -0.000 0.000 2.539) 2.539 ======================= Grid point 94 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 15.420 8.903 16.787) 24.471 0.697 ( 22.304 12.877 7.627) 26.860 1.313 ( 19.687 11.366 51.484) 56.280 1.567 ( 5.644 3.259 -8.215) 10.486 1.721 ( 14.653 8.460 -4.699) 17.560 2.553 ( 2.438 1.407 -4.129) 4.997 2.814 ( 7.062 4.077 -0.873) 8.201 3.560 ( -6.693 -3.864 13.355) 15.430 3.741 ( -1.940 -1.120 -4.345) 4.888 3.773 ( 0.254 0.147 5.188) 5.197 3.854 ( -0.092 -0.053 -16.291) 16.291 4.203 ( 0.900 0.519 7.104) 7.180 4.208 ( 2.875 1.660 4.734) 5.782 4.797 ( -0.977 -0.564 -6.349) 6.448 4.835 ( -2.946 -1.701 -8.462) 9.121 4.921 ( 1.654 0.955 -12.050) 12.200 5.008 ( -4.210 -2.431 -14.091) 14.906 5.040 ( -1.534 -0.886 1.864) 2.572 5.085 ( 0.364 0.210 -15.589) 15.595 5.491 ( -3.629 -2.095 -16.534) 17.057 5.759 ( 0.975 0.563 15.246) 15.287 5.797 ( 3.316 1.915 10.513) 11.189 6.435 ( 0.509 0.294 -2.501) 2.570 6.488 ( 3.618 2.089 -9.158) 10.065 7.812 ( -4.952 -2.859 12.133) 13.413 8.074 ( 2.131 1.230 23.024) 23.155 9.352 ( -14.416 -8.323 36.776) 40.368 9.413 ( -10.936 -6.314 -11.067) 16.791 9.639 ( -2.650 -1.530 -2.556) 3.987 9.763 ( -19.341 -11.166 21.192) 30.787 9.837 ( -0.366 -0.211 3.946) 3.969 10.225 ( -3.353 -1.936 -21.697) 22.039 10.274 ( 9.606 5.546 5.958) 12.591 10.409 ( 3.013 1.740 -10.453) 11.017 10.473 ( -2.301 -1.328 2.747) 3.822 10.947 ( 14.365 8.294 1.108) 16.624 10.969 ( 2.308 1.333 -7.595) 8.049 11.067 ( 6.155 3.554 1.786) 7.329 11.584 ( 0.635 0.367 -16.726) 16.743 11.734 ( -3.555 -2.052 13.687) 14.289 12.629 ( -1.445 -0.834 9.589) 9.733 13.822 ( -4.292 -2.478 -5.881) 7.690 18.465 ( 0.604 0.349 -0.077) 0.701 18.466 ( -0.112 -0.064 -1.197) 1.204 18.479 ( -0.014 -0.008 -1.485) 1.486 18.501 ( 0.583 0.337 -2.551) 2.638 18.641 ( 5.151 2.974 -9.465) 11.179 18.695 ( -0.250 -0.145 -0.396) 0.490 19.536 ( 0.378 0.218 1.025) 1.114 19.572 ( 0.001 0.000 -1.430) 1.430 19.583 ( 0.413 0.238 -1.029) 1.134 19.727 ( 6.455 3.727 -11.514) 13.717 19.990 ( 4.588 2.649 5.537) 7.663 20.388 ( 0.006 0.003 -6.700) 6.700 40.257 ( -2.829 -1.633 -2.062) 3.863 40.348 ( 1.974 1.140 1.865) 2.945 40.414 ( -4.409 -2.546 9.367) 10.661 40.548 ( -0.140 -0.081 -2.101) 2.107 40.635 ( 3.241 1.871 3.763) 5.307 40.799 ( 0.102 0.059 -11.625) 11.625 62.405 ( -4.168 -2.407 -2.785) 5.561 62.617 ( 3.574 2.063 -6.224) 7.468 62.647 ( 8.449 4.878 3.874) 10.497 62.739 ( 5.921 3.419 1.378) 6.975 65.896 ( -92.415 -53.356 140.816) 176.682 68.017 ( -15.925 -9.194 0.803) 18.407 ======================= Grid point 95 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 15.336 8.854 13.290) 22.141 1.226 ( 18.151 10.480 4.616) 21.461 1.732 ( 13.303 7.680 -7.866) 17.258 2.050 ( 24.730 14.278 38.622) 48.032 2.130 ( 18.771 10.838 -1.116) 21.704 2.617 ( 4.411 2.547 -5.425) 7.442 3.034 ( 10.976 6.337 -2.020) 12.834 3.435 ( -6.597 -3.809 9.203) 11.947 3.624 ( -2.974 -1.717 -21.044) 21.322 3.807 ( 0.273 0.158 9.069) 9.075 3.816 ( -1.156 -0.667 -0.174) 1.346 4.256 ( 1.254 0.724 7.948) 8.079 4.272 ( 0.301 0.174 1.767) 1.801 4.678 ( -7.350 -4.243 -8.635) 12.108 4.696 ( -7.398 -4.271 -4.205) 9.521 4.851 ( -2.670 -1.541 -19.530) 19.771 4.875 ( -3.037 -1.753 -10.293) 10.874 5.026 ( -0.564 -0.326 5.472) 5.511 5.067 ( 3.794 2.191 -15.712) 16.311 5.353 ( -1.323 -0.764 -14.313) 14.395 5.810 ( -1.415 -0.817 12.922) 13.025 5.870 ( -0.384 -0.222 10.152) 10.161 6.455 ( 1.874 1.082 -0.861) 2.329 6.526 ( 2.587 1.493 -9.067) 9.547 7.745 ( -4.063 -2.346 10.002) 11.048 8.136 ( -4.839 -2.794 30.352) 30.862 9.089 ( -10.838 -6.258 -16.088) 20.382 9.307 ( -6.826 -3.941 41.536) 42.277 9.447 ( -9.493 -5.481 16.191) 19.552 9.591 ( -1.081 -0.624 -2.138) 2.475 9.855 ( -0.095 -0.055 5.068) 5.069 10.021 ( -5.266 -3.040 -30.321) 30.925 10.430 ( 1.739 1.004 -3.028) 3.634 10.449 ( -0.386 -0.223 1.166) 1.249 10.528 ( 9.199 5.311 -4.015) 11.355 11.026 ( 4.570 2.639 -8.728) 10.199 11.134 ( 3.691 2.131 6.918) 8.126 11.406 ( 14.521 8.384 7.877) 18.525 11.558 ( 3.998 2.308 -20.412) 20.927 11.659 ( -3.962 -2.287 2.188) 5.071 12.636 ( -1.298 -0.749 13.857) 13.937 13.654 ( -7.784 -4.494 -7.471) 11.688 18.461 ( -0.017 -0.010 -0.728) 0.728 18.464 ( -0.262 -0.151 -3.104) 3.118 18.483 ( 0.929 0.536 -0.082) 1.075 18.524 ( 1.469 0.848 0.264) 1.717 18.659 ( -0.598 -0.345 -1.678) 1.815 18.685 ( -0.136 -0.079 -4.142) 4.145 19.545 ( 0.199 0.115 -1.658) 1.674 19.576 ( 0.646 0.373 0.446) 0.869 19.591 ( 0.489 0.282 -0.588) 0.815 19.742 ( -1.159 -0.669 -1.052) 1.703 20.136 ( 5.706 3.294 0.485) 6.606 20.363 ( 0.068 0.039 -6.670) 6.671 40.164 ( -3.710 -2.142 -4.212) 6.008 40.316 ( -5.303 -3.061 9.135) 10.997 40.426 ( 2.462 1.422 3.174) 4.261 40.537 ( -0.008 -0.005 -2.936) 2.936 40.728 ( 2.853 1.647 6.223) 7.041 40.767 ( 0.956 0.552 -13.028) 13.074 62.320 ( -1.657 -0.957 -5.034) 5.386 62.688 ( 4.793 2.767 -10.357) 11.743 62.848 ( 1.591 0.918 19.643) 19.729 62.889 ( 7.916 4.570 1.064) 9.203 64.977 ( -29.101 -16.802 82.583) 89.158 67.468 ( -28.512 -16.462 -5.624) 33.400 ======================= Grid point 96 (29/85) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 12.210 7.050 11.388) 18.124 1.539 ( 7.783 4.493 0.742) 9.017 2.121 ( 18.852 10.884 -0.607) 21.777 2.484 ( 6.969 4.023 3.344) 8.714 2.757 ( 22.525 13.005 26.059) 36.818 2.771 ( 12.894 7.444 -8.631) 17.209 3.221 ( 0.543 0.313 4.137) 4.185 3.425 ( 9.237 5.333 -1.539) 10.777 3.471 ( -2.358 -1.362 -23.155) 23.315 3.779 ( -2.804 -1.619 5.160) 6.092 3.848 ( -0.718 -0.415 12.655) 12.682 4.199 ( -5.839 -3.371 -4.847) 8.303 4.321 ( 1.609 0.929 6.387) 6.652 4.426 ( -13.400 -7.736 -2.990) 15.759 4.477 ( -5.519 -3.186 -7.577) 9.900 4.564 ( -13.089 -7.557 -17.366) 23.022 4.828 ( 1.172 0.677 -12.550) 12.622 5.013 ( -1.510 -0.872 3.532) 3.939 5.180 ( 8.291 4.787 -8.137) 12.564 5.354 ( 4.370 2.523 -10.409) 11.567 5.790 ( -3.911 -2.258 11.744) 12.583 5.860 ( -3.294 -1.902 8.763) 9.553 6.517 ( 3.000 1.732 1.520) 3.783 6.545 ( 1.631 0.941 -7.685) 7.913 7.700 ( -2.482 -1.433 8.231) 8.715 8.103 ( -7.711 -4.452 34.452) 35.584 8.806 ( -7.053 -4.072 -17.577) 19.372 9.141 ( -11.428 -6.598 22.561) 26.137 9.539 ( 3.004 1.734 26.323) 26.550 9.553 ( -1.837 -1.061 -6.038) 6.400 9.767 ( -4.794 -2.768 -32.995) 33.456 9.887 ( 0.984 0.568 11.455) 11.511 10.443 ( 0.617 0.356 -4.432) 4.489 10.455 ( 0.492 0.284 0.523) 0.772 10.702 ( 7.386 4.264 -8.110) 11.769 11.092 ( 3.423 1.976 -8.832) 9.676 11.232 ( 1.593 0.920 9.876) 10.046 11.432 ( -8.881 -5.128 4.400) 11.159 11.641 ( 8.580 4.954 -16.201) 18.990 11.844 ( 13.010 7.512 -0.735) 15.041 12.698 ( 2.630 1.518 15.080) 15.383 13.392 ( -11.558 -6.673 -8.987) 16.089 18.450 ( -0.041 -0.023 -2.200) 2.200 18.461 ( 0.141 0.081 -0.008) 0.162 18.508 ( 1.196 0.691 -0.094) 1.385 18.567 ( 1.845 1.065 1.210) 2.450 18.627 ( -1.598 -0.923 -0.513) 1.915 18.655 ( -0.920 -0.531 -3.965) 4.105 19.538 ( 0.192 0.111 -2.924) 2.932 19.600 ( 0.317 0.183 0.001) 0.366 19.600 ( 0.904 0.522 0.963) 1.420 19.702 ( -2.068 -1.194 1.911) 3.058 20.255 ( 4.091 2.362 0.974) 4.823 20.341 ( 0.018 0.011 -5.597) 5.597 40.063 ( -2.865 -1.654 -5.549) 6.460 40.231 ( -4.490 -2.592 9.127) 10.496 40.493 ( 1.981 1.144 3.400) 4.098 40.526 ( 0.034 0.019 -3.161) 3.161 40.739 ( 0.695 0.401 -12.999) 13.024 40.817 ( 2.486 1.435 7.215) 7.765 62.287 ( 0.658 0.380 -6.776) 6.819 62.763 ( 5.039 2.910 -11.937) 13.279 62.901 ( -4.696 -2.711 29.082) 29.584 63.041 ( 2.736 1.580 7.910) 8.518 64.932 ( 4.073 2.351 38.717) 39.001 66.663 ( -34.689 -20.027 -14.483) 42.593 ======================= Grid point 97 (30/85) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.423 0.244 -0.575) 0.754 1.707 ( 6.223 3.593 9.935) 12.261 2.502 ( -3.908 -2.256 -0.939) 4.609 2.503 ( 9.619 5.554 6.730) 12.987 3.070 ( 10.480 6.051 -6.397) 13.688 3.125 ( 3.927 2.267 -3.683) 5.842 3.335 ( 9.588 5.535 8.575) 14.003 3.357 ( -0.676 -0.390 -18.339) 18.355 3.705 ( -6.753 -3.899 4.841) 9.178 3.771 ( 1.675 0.967 9.433) 9.629 3.822 ( 9.945 5.742 -0.347) 11.489 4.018 ( -16.718 -9.652 -6.769) 20.457 4.097 ( 1.725 0.996 2.609) 3.282 4.207 ( -8.196 -4.732 -7.953) 12.362 4.362 ( -2.693 -1.555 -5.503) 6.321 4.419 ( 1.836 1.060 7.380) 7.679 4.817 ( 1.462 0.844 -9.694) 9.840 4.993 ( -0.658 -0.380 0.197) 0.785 5.357 ( 7.822 4.516 -4.138) 9.935 5.424 ( 3.463 1.999 -9.102) 9.941 5.736 ( -3.668 -2.118 12.274) 12.984 5.788 ( -5.062 -2.922 7.541) 9.541 6.542 ( 0.229 0.132 -6.213) 6.219 6.594 ( 2.379 1.374 2.723) 3.868 7.692 ( -0.333 -0.192 6.044) 6.056 8.041 ( -8.466 -4.888 36.029) 37.331 8.634 ( -1.666 -0.962 -18.154) 18.256 9.011 ( -5.546 -3.202 18.266) 19.356 9.363 ( -7.297 -4.213 -29.252) 30.441 9.652 ( 1.534 0.886 -11.639) 11.773 9.655 ( 0.115 0.066 14.277) 14.277 10.023 ( 4.628 2.672 22.372) 23.001 10.429 ( -0.291 -0.168 -4.636) 4.648 10.469 ( 0.397 0.229 0.010) 0.458 10.829 ( 6.642 3.835 -12.670) 14.811 11.128 ( 2.738 1.581 -9.024) 9.562 11.176 ( -9.112 -5.261 -2.621) 10.844 11.315 ( -0.446 -0.257 6.738) 6.757 11.819 ( 9.309 5.375 -6.641) 12.635 12.047 ( 2.499 1.443 8.014) 8.517 12.903 ( 10.315 5.955 10.140) 15.642 13.040 ( -14.649 -8.458 -10.917) 20.132 18.446 ( 0.248 0.143 -0.841) 0.889 18.467 ( 0.284 0.164 0.556) 0.645 18.540 ( 1.461 0.844 -0.161) 1.695 18.583 ( -1.745 -1.008 -0.796) 2.167 18.616 ( -1.207 -0.697 -3.038) 3.342 18.619 ( 1.941 1.121 1.706) 2.816 19.537 ( 0.690 0.398 -2.558) 2.679 19.604 ( -0.001 -0.001 0.374) 0.374 19.622 ( 0.682 0.394 0.245) 0.824 19.662 ( -1.921 -1.109 2.357) 3.237 20.320 ( -0.343 -0.198 -3.812) 3.833 20.340 ( 2.697 1.557 1.301) 3.375 39.997 ( -0.717 -0.414 -5.411) 5.474 40.179 ( -2.464 -1.423 8.091) 8.577 40.513 ( -0.240 -0.139 -2.709) 2.723 40.543 ( 1.041 0.601 3.993) 4.170 40.699 ( 0.050 0.029 -12.359) 12.359 40.896 ( 1.794 1.036 6.477) 6.800 62.292 ( 2.056 1.187 -8.507) 8.832 62.839 ( 4.867 2.810 -9.954) 11.431 62.844 ( -9.483 -5.475 33.076) 34.842 63.095 ( -0.418 -0.241 8.671) 8.685 65.375 ( 22.456 12.965 16.809) 30.902 65.757 ( -34.376 -19.847 -22.169) 45.465 ======================= Grid point 98 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -7.565 -4.368 -0.284) 8.740 1.786 ( -2.984 -1.723 7.998) 8.709 2.331 ( -9.233 -5.331 -2.878) 11.043 2.584 ( -3.184 -1.838 3.646) 5.178 3.058 ( -16.665 -9.622 -15.759) 24.873 3.125 ( -5.792 -3.344 -0.282) 6.693 3.219 ( -3.530 -2.038 4.060) 5.753 3.460 ( -6.548 -3.781 -11.173) 13.491 3.541 ( 6.807 3.930 -1.101) 7.937 3.657 ( 1.269 0.733 -4.680) 4.904 3.786 ( -4.459 -2.574 2.341) 5.656 4.143 ( 3.764 2.173 2.156) 4.851 4.196 ( 7.285 4.206 4.712) 9.642 4.261 ( 2.663 1.538 -3.464) 4.632 4.402 ( 15.960 9.214 6.835) 19.655 4.503 ( 3.073 1.774 6.438) 7.352 4.830 ( 2.010 1.160 -4.585) 5.139 4.986 ( 0.353 0.204 -1.463) 1.519 5.411 ( -2.106 -1.216 -5.469) 5.986 5.496 ( 4.751 2.743 -5.162) 7.532 5.691 ( -4.936 -2.850 6.937) 8.978 5.735 ( -0.097 -0.056 9.559) 9.560 6.511 ( -0.976 -0.563 -4.422) 4.563 6.640 ( 0.631 0.364 1.930) 2.063 7.740 ( 2.731 1.577 6.212) 6.967 7.979 ( -7.777 -4.490 35.051) 36.184 8.570 ( 1.782 1.029 -23.787) 23.876 9.022 ( 1.039 0.600 15.455) 15.501 9.096 ( -4.611 -2.662 -26.117) 26.654 9.676 ( 2.840 1.640 -6.612) 7.381 9.689 ( -0.782 -0.452 11.566) 11.601 10.222 ( 4.486 2.590 18.592) 19.300 10.399 ( -0.606 -0.350 -4.311) 4.368 10.468 ( -0.399 -0.230 -0.906) 1.016 10.921 ( 4.919 2.840 -12.688) 13.901 10.935 ( -8.056 -4.651 -11.923) 15.122 11.165 ( 3.293 1.901 -7.831) 8.705 11.317 ( -2.400 -1.386 8.501) 8.941 12.002 ( 5.395 3.115 3.479) 7.136 12.058 ( -3.874 -2.237 12.629) 13.398 12.633 ( -14.325 -8.270 -14.259) 21.838 13.218 ( 12.622 7.288 4.838) 15.357 18.454 ( 0.426 0.246 0.304) 0.578 18.477 ( 0.265 0.153 0.509) 0.594 18.542 ( -1.350 -0.779 -0.767) 1.737 18.577 ( -1.217 -0.703 -2.289) 2.686 18.577 ( 1.672 0.966 -0.206) 1.942 18.670 ( 1.817 1.049 1.677) 2.686 19.555 ( 1.343 0.776 -1.240) 1.986 19.601 ( -0.405 -0.234 0.148) 0.490 19.629 ( -1.579 -0.911 2.291) 2.928 19.635 ( 0.578 0.334 -0.662) 0.940 20.293 ( -1.069 -0.617 -1.998) 2.348 20.395 ( 1.621 0.936 0.846) 2.054 39.995 ( 2.065 1.192 -3.908) 4.577 40.174 ( -0.310 -0.179 6.413) 6.423 40.489 ( -1.178 -0.680 -2.206) 2.591 40.574 ( 0.233 0.135 4.543) 4.551 40.652 ( -0.166 -0.096 -10.707) 10.708 40.947 ( 0.733 0.423 4.101) 4.187 62.312 ( 2.454 1.417 -10.447) 10.824 62.726 ( -9.643 -5.568 27.953) 30.090 62.927 ( 4.725 2.728 -2.618) 6.052 63.090 ( -3.062 -1.768 9.940) 10.550 64.893 ( -29.766 -17.185 -27.143) 43.796 66.062 ( 30.212 17.443 6.779) 35.538 ======================= Grid point 99 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -14.115 -8.149 -0.298) 16.301 1.608 ( -13.863 -8.004 4.948) 16.755 2.075 ( -11.212 -6.473 -0.004) 12.946 2.395 ( -30.129 -17.395 -5.372) 35.202 2.426 ( -10.282 -5.936 -1.894) 12.022 2.893 ( -10.869 -6.275 2.551) 12.807 3.221 ( -0.785 -0.453 5.238) 5.315 3.267 ( -5.763 -3.327 -10.357) 12.310 3.634 ( 3.223 1.861 -3.799) 5.318 3.740 ( -1.110 -0.641 4.490) 4.669 3.800 ( 7.723 4.459 -1.707) 9.080 4.186 ( -1.770 -1.022 -4.756) 5.177 4.266 ( 3.019 1.743 3.912) 5.240 4.458 ( 10.193 5.885 -0.066) 11.770 4.638 ( 6.653 3.841 5.412) 9.397 4.811 ( 12.870 7.431 1.626) 14.950 4.879 ( 2.537 1.465 0.559) 2.983 5.008 ( 2.546 1.470 -1.929) 3.516 5.317 ( -3.590 -2.073 -4.444) 6.078 5.526 ( 0.151 0.087 -5.633) 5.635 5.634 ( -1.728 -0.998 4.431) 4.859 5.770 ( -0.156 -0.090 7.362) 7.364 6.472 ( -1.025 -0.592 -2.454) 2.724 6.642 ( -0.507 -0.292 -0.228) 0.628 7.882 ( 6.201 3.580 13.290) 15.096 7.943 ( -5.912 -3.413 32.020) 32.739 8.467 ( -1.177 -0.680 -37.864) 37.889 9.026 ( 4.871 2.812 -9.414) 10.967 9.168 ( 6.334 3.657 13.457) 15.316 9.717 ( -0.700 -0.404 12.925) 12.950 9.726 ( 2.926 1.689 -3.770) 5.063 10.322 ( 0.591 0.341 -3.977) 4.035 10.404 ( 1.425 0.823 7.494) 7.673 10.438 ( -1.703 -0.983 -2.559) 3.228 10.715 ( -6.057 -3.497 -14.706) 16.285 10.959 ( 1.893 1.093 -9.616) 9.862 11.230 ( 3.608 2.083 -4.111) 5.853 11.260 ( -4.842 -2.796 7.273) 9.174 11.960 ( -12.488 -7.210 3.427) 14.822 11.988 ( -5.567 -3.214 11.994) 13.608 12.401 ( 1.660 0.958 -9.805) 9.990 13.510 ( 10.603 6.122 1.263) 12.309 18.466 ( 0.400 0.231 0.771) 0.899 18.478 ( -0.312 -0.180 -0.370) 0.516 18.519 ( -0.442 -0.255 -0.056) 0.514 18.542 ( -0.968 -0.559 -1.959) 2.256 18.617 ( 1.712 0.988 -0.129) 1.981 18.716 ( 1.523 0.879 1.061) 2.054 19.582 ( -1.195 -0.690 0.451) 1.452 19.583 ( 0.902 0.521 -0.131) 1.050 19.608 ( -0.753 -0.434 1.348) 1.604 19.656 ( 1.849 1.067 -0.612) 2.221 20.251 ( -2.022 -1.167 -1.186) 2.619 20.425 ( 0.863 0.498 -0.368) 1.062 40.065 ( 4.553 2.628 -1.610) 5.498 40.208 ( 1.229 0.709 4.458) 4.678 40.437 ( -2.342 -1.352 -2.445) 3.645 40.590 ( -0.349 -0.202 4.724) 4.741 40.617 ( 0.074 0.043 -7.235) 7.236 40.960 ( -0.372 -0.215 0.345) 0.550 62.327 ( 2.311 1.334 -11.706) 12.007 62.612 ( -7.360 -4.250 20.793) 22.463 63.023 ( -5.614 -3.241 9.507) 11.506 63.062 ( 5.367 3.099 14.004) 15.315 64.145 ( -23.793 -13.737 -30.239) 40.856 66.819 ( 31.031 17.916 1.693) 35.871 ======================= Grid point 100 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -17.626 -10.177 0.364) 20.356 1.196 ( -21.465 -12.393 5.724) 25.438 1.624 ( -31.095 -17.953 5.804) 36.371 1.846 ( -10.815 -6.244 2.713) 12.779 2.091 ( -15.847 -9.149 -3.341) 18.601 2.694 ( -6.397 -3.693 0.658) 7.416 3.023 ( -9.145 -5.280 -4.128) 11.338 3.312 ( 3.815 2.203 6.248) 7.645 3.692 ( 2.426 1.401 -1.585) 3.218 3.743 ( -0.200 -0.115 3.757) 3.764 3.935 ( 4.494 2.594 -5.233) 7.369 4.137 ( -0.927 -0.535 -2.594) 2.806 4.287 ( -2.373 -1.370 6.104) 6.691 4.679 ( 8.267 4.773 -3.758) 10.259 4.827 ( 6.581 3.799 3.531) 8.379 4.946 ( 2.284 1.319 3.195) 4.143 4.959 ( 1.706 0.985 -3.498) 4.015 5.110 ( 5.420 3.129 -7.082) 9.451 5.227 ( -1.441 -0.832 -9.513) 9.658 5.537 ( 3.391 1.958 -6.677) 7.740 5.608 ( -2.036 -1.175 5.551) 6.028 5.779 ( -1.481 -0.855 8.968) 9.130 6.449 ( -0.236 -0.136 -1.402) 1.429 6.622 ( -0.590 -0.341 -3.133) 3.206 7.933 ( -4.542 -2.622 27.401) 27.898 8.109 ( 4.125 2.382 8.987) 10.171 8.301 ( 2.616 1.511 -18.614) 18.857 9.211 ( 11.505 6.642 -3.028) 13.625 9.402 ( 8.485 4.899 11.674) 15.241 9.753 ( -0.269 -0.155 13.117) 13.121 9.784 ( 2.334 1.347 1.254) 2.972 10.293 ( 0.142 0.082 -10.098) 10.100 10.365 ( -3.563 -2.057 -3.036) 5.114 10.454 ( 0.572 0.330 2.111) 2.212 10.536 ( -4.534 -2.618 -13.163) 14.166 10.948 ( -0.028 -0.016 -7.206) 7.206 11.151 ( -5.805 -3.351 4.708) 8.191 11.234 ( -5.607 -3.237 0.289) 6.481 11.658 ( -7.381 -4.261 -1.096) 8.593 11.893 ( -5.267 -3.041 6.280) 8.743 12.487 ( 4.495 2.595 0.163) 5.193 13.725 ( 7.312 4.221 -1.269) 8.538 18.464 ( -0.490 -0.283 -0.418) 0.703 18.477 ( 0.215 0.124 0.428) 0.494 18.505 ( -0.810 -0.467 -0.666) 1.148 18.525 ( 0.181 0.105 -1.737) 1.750 18.655 ( 1.412 0.815 0.002) 1.630 18.748 ( 0.986 0.569 -0.638) 1.305 19.555 ( -1.230 -0.710 1.030) 1.754 19.590 ( -0.051 -0.029 -0.724) 0.727 19.598 ( -0.438 -0.253 0.191) 0.541 19.725 ( 3.531 2.039 0.948) 4.186 20.181 ( -3.310 -1.911 -4.038) 5.560 20.435 ( 0.384 0.222 -2.133) 2.179 40.190 ( 5.708 3.295 0.598) 6.618 40.259 ( 1.759 1.016 2.687) 3.368 40.370 ( -2.290 -1.322 -1.562) 3.071 40.594 ( -0.720 -0.416 4.463) 4.540 40.597 ( -0.211 -0.122 -3.598) 3.606 40.933 ( -1.128 -0.651 -4.491) 4.676 62.342 ( 2.680 1.547 -9.652) 10.135 62.538 ( -4.206 -2.428 13.543) 14.388 62.898 ( -7.369 -4.255 7.184) 11.137 63.326 ( 6.790 3.920 27.173) 28.281 63.541 ( -15.671 -9.048 -3.964) 18.524 67.511 ( 25.810 14.901 0.035) 29.803 ======================= Grid point 103 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.000 14.476 12.175) 18.915 0.791 ( -0.000 22.384 14.578) 26.713 1.502 ( -0.000 15.018 42.710) 45.273 1.611 ( -0.000 13.102 6.729) 14.729 1.641 ( 0.000 15.434 -8.793) 17.763 2.542 ( 0.000 3.659 -4.885) 6.103 2.801 ( 0.000 6.372 -0.770) 6.418 3.615 ( -0.000 -7.040 12.267) 14.144 3.693 ( 0.000 -3.978 -19.425) 19.828 3.799 ( -0.000 1.519 6.370) 6.549 3.821 ( 0.000 1.355 -1.796) 2.250 4.155 ( -0.000 -1.829 4.555) 4.908 4.307 ( -0.000 6.323 8.592) 10.667 4.736 ( 0.000 -4.272 -7.936) 9.013 4.821 ( 0.000 0.668 -14.459) 14.474 4.882 ( 0.000 3.058 -12.307) 12.681 4.964 ( 0.000 -3.799 -17.800) 18.201 4.982 ( 0.000 -3.128 -13.188) 13.554 5.075 ( -0.000 -1.590 6.279) 6.477 5.426 ( 0.000 -3.464 -19.280) 19.589 5.764 ( -0.000 -0.895 14.002) 14.031 5.894 ( -0.000 5.797 12.644) 13.910 6.413 ( 0.000 0.093 -3.763) 3.764 6.463 ( 0.000 3.583 -7.667) 8.463 7.894 ( -0.000 -3.586 10.786) 11.366 8.229 ( -0.000 10.302 31.213) 32.869 9.165 ( -0.000 -26.851 11.408) 29.174 9.510 ( -0.000 -13.680 0.267) 13.683 9.701 ( -0.000 -0.760 10.017) 10.046 9.874 ( 0.000 5.328 -0.043) 5.328 10.073 ( -0.000 -3.139 16.809) 17.099 10.156 ( 0.000 -2.788 -20.936) 21.121 10.168 ( 0.000 -5.709 -8.203) 9.994 10.355 ( 0.000 -0.673 -9.693) 9.716 10.421 ( -0.000 -5.065 16.232) 17.004 10.788 ( 0.000 5.807 -10.352) 11.869 10.966 ( 0.000 7.138 -6.459) 9.627 11.044 ( 0.000 6.415 -0.023) 6.415 11.649 ( 0.000 10.533 -14.082) 17.586 11.786 ( -0.000 -5.247 13.546) 14.527 12.665 ( -0.000 -2.526 12.796) 13.043 13.796 ( 0.000 -4.809 -7.429) 8.850 18.458 ( -0.000 0.342 0.425) 0.546 18.468 ( 0.000 -0.142 -2.600) 2.604 18.470 ( 0.000 0.335 -1.109) 1.159 18.483 ( 0.000 0.255 -2.796) 2.807 18.613 ( 0.000 6.260 -7.219) 9.555 18.699 ( 0.000 0.174 -0.646) 0.668 19.554 ( -0.000 0.903 1.673) 1.901 19.568 ( 0.000 0.108 -1.466) 1.470 19.579 ( 0.000 0.555 -0.835) 1.003 19.675 ( 0.000 7.586 -9.548) 12.194 20.016 ( -0.000 2.831 9.034) 9.467 20.360 ( 0.000 -0.028 -7.264) 7.264 40.278 ( 0.000 -1.641 -1.111) 1.981 40.317 ( -0.000 -0.983 1.497) 1.791 40.436 ( -0.000 -4.796 5.520) 7.312 40.585 ( -0.000 0.771 3.532) 3.615 40.620 ( -0.000 3.174 1.408) 3.472 40.756 ( 0.000 0.013 -11.247) 11.247 62.392 ( -0.000 -5.926 0.055) 5.926 62.591 ( -0.000 5.365 6.883) 8.727 62.684 ( 0.000 11.499 -13.116) 17.443 62.769 ( -0.000 10.222 2.018) 10.419 66.329 ( -0.000 -106.114 107.416) 150.992 68.020 ( -0.000 -18.842 0.086) 18.842 ======================= Grid point 104 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.763 13.564 9.482) 22.178 1.172 ( 10.334 20.720 12.219) 26.180 1.658 ( 2.818 11.674 -9.569) 15.355 1.913 ( 13.520 15.776 4.909) 21.349 2.097 ( 12.346 21.264 39.858) 46.832 2.585 ( 1.677 5.090 -5.160) 7.440 2.929 ( 6.580 6.908 -2.224) 9.796 3.516 ( -4.520 -6.445 -1.688) 8.051 3.566 ( -2.153 -3.469 -13.679) 14.275 3.834 ( -0.232 -0.516 5.642) 5.670 3.844 ( -0.380 2.050 8.100) 8.364 4.193 ( 3.327 -1.958 4.565) 5.979 4.368 ( -2.509 3.580 6.605) 7.921 4.641 ( -1.772 -7.857 -7.083) 10.726 4.739 ( -2.740 -2.392 -17.802) 18.169 4.813 ( -2.472 0.619 -13.691) 13.926 4.866 ( -2.926 -5.394 -6.936) 9.261 4.942 ( 4.624 3.718 -18.331) 19.268 5.071 ( -1.216 -1.059 5.876) 6.094 5.304 ( -0.999 -2.150 -16.929) 17.094 5.818 ( 1.314 -2.390 11.552) 11.870 5.973 ( -2.135 3.580 11.572) 12.300 6.418 ( 1.823 0.503 -2.852) 3.422 6.480 ( 1.295 3.034 -8.379) 9.005 7.853 ( -4.327 -2.775 10.850) 12.006 8.387 ( -7.706 5.920 36.353) 37.630 8.994 ( 1.651 -16.316 2.602) 16.605 9.381 ( 0.968 -13.872 4.656) 14.665 9.564 ( -11.250 -6.269 17.954) 22.095 9.837 ( -12.593 0.309 5.116) 13.596 9.902 ( -2.768 3.004 4.518) 6.090 9.986 ( -4.932 -1.186 -23.316) 23.862 10.304 ( 8.498 -4.632 0.134) 9.679 10.348 ( 3.581 -1.089 -6.827) 7.786 10.506 ( 4.533 2.547 4.243) 6.711 10.885 ( 10.599 -0.378 -12.707) 16.551 11.058 ( 1.729 6.757 -4.336) 8.212 11.266 ( 12.932 13.031 0.684) 18.371 11.650 ( -6.378 13.500 -11.569) 18.889 11.718 ( -4.251 -7.395 5.946) 10.398 12.682 ( -0.261 -3.715 15.898) 16.329 13.674 ( -3.991 -6.252 -8.517) 11.295 18.454 ( -0.071 -0.231 -2.935) 2.945 18.461 ( -0.238 0.246 -1.224) 1.271 18.473 ( 0.653 0.595 0.489) 1.009 18.501 ( 1.705 0.421 -0.528) 1.834 18.640 ( 0.665 0.948 -4.472) 4.620 18.691 ( -0.889 0.747 -2.164) 2.456 19.551 ( -0.921 0.665 -1.025) 1.530 19.573 ( 0.427 0.608 0.141) 0.756 19.587 ( 0.270 0.899 -0.116) 0.946 19.722 ( 1.612 1.037 -5.026) 5.379 20.106 ( 2.807 3.949 4.997) 6.960 20.335 ( 0.177 0.004 -6.891) 6.893 40.199 ( -3.993 -2.584 -1.902) 5.122 40.339 ( 1.183 -4.423 2.892) 5.416 40.413 ( 0.737 -0.942 3.864) 4.045 40.558 ( -2.702 1.101 -0.011) 2.918 40.708 ( 3.323 1.764 4.366) 5.764 40.722 ( 0.298 1.258 -10.464) 10.543 62.322 ( -1.790 -2.825 -0.747) 3.427 62.673 ( -0.474 8.523 -5.465) 10.136 62.837 ( 7.008 10.245 -2.066) 12.583 62.908 ( 2.087 8.497 6.904) 11.145 65.490 ( -26.327 -56.780 90.448) 109.990 67.630 ( -15.776 -26.222 -5.860) 31.158 ======================= Grid point 105 (36/85) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 12.898 13.409 9.505) 20.892 1.577 ( 4.288 17.474 9.185) 20.201 1.900 ( 15.898 12.320 -6.762) 21.219 2.355 ( 16.288 11.587 1.595) 20.053 2.633 ( 5.670 6.938 6.681) 11.177 2.731 ( 12.027 16.227 24.433) 31.701 3.132 ( 9.961 4.047 -3.142) 11.201 3.367 ( -1.584 -4.164 -9.726) 10.698 3.436 ( -4.200 -1.829 -9.326) 10.391 3.825 ( -2.116 -2.188 7.986) 8.546 3.892 ( 0.172 0.017 10.441) 10.443 4.212 ( -1.015 -2.991 -1.995) 3.735 4.361 ( -1.852 0.940 5.112) 5.518 4.453 ( -5.302 -8.558 -6.085) 11.764 4.552 ( -6.228 -3.662 -14.874) 16.536 4.633 ( -10.726 -8.635 -11.454) 17.911 4.766 ( 0.927 0.104 -11.163) 11.202 5.007 ( 1.901 1.084 -9.481) 9.730 5.103 ( 3.685 5.258 1.854) 6.683 5.277 ( 3.374 2.728 -9.944) 10.849 5.830 ( -0.786 -4.170 10.057) 10.915 5.974 ( -4.717 1.009 9.149) 10.343 6.470 ( 3.533 1.186 -0.762) 3.804 6.505 ( 1.531 2.428 -6.937) 7.507 7.786 ( -4.340 -2.632 10.981) 12.097 8.373 ( -10.205 -2.086 37.025) 38.462 8.831 ( -6.797 -3.471 -9.146) 11.912 9.218 ( -3.608 -16.828 11.238) 20.554 9.539 ( 2.931 -3.438 23.541) 23.970 9.631 ( -8.227 -3.111 -19.630) 21.511 9.810 ( -7.554 6.265 -3.894) 10.558 9.933 ( -0.603 2.407 5.170) 5.735 10.348 ( 5.185 -4.111 -9.150) 11.291 10.389 ( 3.498 -2.619 2.281) 4.929 10.628 ( 4.332 3.340 -1.255) 5.612 11.053 ( 7.382 6.052 -10.072) 13.877 11.134 ( 5.727 0.750 -4.483) 7.312 11.517 ( -6.949 -9.036 1.423) 11.488 11.662 ( 0.973 15.204 -5.759) 16.287 11.686 ( 9.860 12.028 -4.608) 16.221 12.711 ( 1.401 -3.826 16.801) 17.288 13.458 ( -8.174 -7.936 -9.547) 14.864 18.442 ( 0.010 -0.048 -1.677) 1.678 18.460 ( 0.120 0.262 -0.509) 0.585 18.496 ( 0.938 0.667 0.313) 1.193 18.541 ( 2.192 0.362 0.474) 2.272 18.629 ( -0.219 -0.746 -2.709) 2.819 18.664 ( -1.733 0.419 -2.791) 3.312 19.537 ( -0.688 0.492 -1.615) 1.823 19.590 ( 0.647 0.381 0.222) 0.783 19.604 ( 0.317 1.130 0.222) 1.194 19.716 ( -0.487 -1.185 -0.585) 1.409 20.217 ( 3.628 3.072 2.005) 5.159 20.316 ( 0.357 0.078 -5.558) 5.570 40.090 ( -3.991 -2.142 -2.796) 5.323 40.283 ( -2.084 -5.037 4.835) 7.286 40.468 ( 2.873 0.320 3.175) 4.293 40.527 ( -1.314 0.828 -2.650) 3.071 40.699 ( -0.071 1.240 -9.040) 9.125 40.805 ( 3.202 1.646 4.490) 5.755 62.276 ( -1.006 -0.077 -1.671) 1.952 62.723 ( 0.697 8.137 -13.731) 15.976 63.026 ( 0.433 6.797 11.451) 13.323 63.070 ( 3.374 4.440 14.738) 15.758 65.052 ( -7.063 -22.681 55.430) 60.306 66.911 ( -26.743 -28.811 -15.370) 42.208 ======================= Grid point 106 (37/85) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 4.663 13.335 6.382) 15.502 1.754 ( -2.036 13.167 6.011) 14.617 2.352 ( 18.190 10.004 1.958) 20.852 2.577 ( -2.276 2.648 5.770) 6.744 2.855 ( 14.731 6.210 -8.940) 18.316 3.069 ( 2.301 0.119 2.873) 3.683 3.268 ( 3.613 1.702 1.896) 4.421 3.328 ( -1.043 0.585 -7.227) 7.325 3.539 ( 20.532 6.919 3.419) 21.934 3.770 ( -3.562 -4.512 7.971) 9.828 3.883 ( -4.343 -4.026 5.576) 8.134 4.104 ( -4.083 -2.705 -3.137) 5.816 4.188 ( -13.762 -9.940 -4.380) 17.533 4.272 ( -6.749 -2.701 -10.773) 12.996 4.374 ( -3.674 -2.452 -6.141) 7.564 4.439 ( 0.099 1.177 5.070) 5.205 4.760 ( 1.971 0.339 -7.070) 7.347 4.985 ( -0.295 -0.573 -4.860) 4.903 5.275 ( 6.663 7.117 -2.383) 10.037 5.364 ( 4.091 4.803 -6.843) 9.308 5.788 ( -2.295 -5.181 10.241) 11.704 5.905 ( -5.999 -0.901 6.999) 9.262 6.514 ( 0.695 1.431 -5.872) 6.083 6.560 ( 3.584 1.011 1.570) 4.041 7.736 ( -2.431 -2.474 9.863) 10.455 8.294 ( -8.126 -5.624 32.364) 33.839 8.651 ( -8.436 1.645 -7.041) 11.111 9.059 ( -1.676 -12.624 13.072) 18.250 9.338 ( -7.934 -5.400 -28.201) 29.790 9.628 ( 0.256 1.276 8.558) 8.656 9.779 ( -4.328 5.208 5.920) 8.994 10.023 ( 4.970 1.346 11.030) 12.173 10.354 ( 3.674 -4.140 -7.376) 9.222 10.433 ( 2.021 -0.774 4.853) 5.314 10.730 ( 5.273 3.781 -7.804) 10.149 11.114 ( -1.789 4.319 -10.173) 11.195 11.244 ( -1.691 -3.026 -4.988) 6.074 11.305 ( 1.645 -1.427 -4.930) 5.390 11.779 ( 1.580 13.926 -3.507) 14.447 12.004 ( 8.698 5.160 5.197) 11.371 12.812 ( 7.448 -1.097 12.899) 14.935 13.146 ( -12.237 -9.515 -10.757) 18.868 18.442 ( 0.248 0.126 -0.237) 0.366 18.466 ( 0.288 0.378 0.138) 0.495 18.523 ( 1.225 0.648 0.052) 1.387 18.580 ( 1.432 -0.916 -0.574) 1.794 18.606 ( -0.554 0.133 -0.990) 1.142 18.625 ( -1.228 0.099 -2.035) 2.379 19.529 ( -0.094 0.428 -1.088) 1.173 19.603 ( 0.352 0.169 0.447) 0.594 19.620 ( 0.256 0.853 -0.333) 0.951 19.687 ( -1.285 -1.229 0.976) 2.028 20.302 ( 1.208 0.460 -2.452) 2.772 20.311 ( 2.109 1.532 -0.540) 2.662 40.004 ( -2.473 -0.969 -2.502) 3.649 40.220 ( -1.736 -3.467 4.686) 6.082 40.506 ( -0.370 0.517 -3.255) 3.317 40.530 ( 2.319 -0.289 3.305) 4.047 40.672 ( -0.818 1.134 -7.656) 7.783 40.887 ( 2.575 1.237 3.222) 4.306 62.269 ( -0.036 1.446 -2.114) 2.562 62.764 ( 2.474 4.879 -14.821) 15.799 63.068 ( -6.832 -3.916 30.989) 31.974 63.193 ( -1.398 7.749 10.640) 13.237 65.169 ( 15.625 -1.689 24.567) 29.164 66.022 ( -30.950 -26.381 -23.630) 47.034 ======================= Grid point 107 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -10.617 7.818 2.887) 13.497 1.929 ( -2.885 11.243 6.892) 13.499 2.468 ( -9.689 -1.555 2.657) 10.166 2.637 ( 0.654 2.443 5.188) 5.771 3.057 ( 0.825 -6.646 -4.019) 7.810 3.069 ( 8.111 1.283 -8.169) 11.583 3.251 ( -0.698 -0.341 -10.612) 10.640 3.431 ( 4.857 -0.031 1.830) 5.190 3.562 ( -10.244 -8.390 1.355) 13.311 3.677 ( -8.168 -4.242 -7.927) 12.147 3.843 ( -4.332 -3.701 5.366) 7.826 4.061 ( 16.604 5.569 4.838) 18.169 4.126 ( 0.899 0.822 -1.048) 1.607 4.204 ( 3.369 3.967 3.317) 6.171 4.307 ( 1.180 -0.161 -1.896) 2.239 4.499 ( 2.116 1.563 4.445) 5.165 4.791 ( 2.458 0.839 -0.952) 2.766 4.962 ( 0.462 -0.195 -5.062) 5.087 5.417 ( 0.585 3.673 -7.222) 8.124 5.446 ( 3.745 5.969 -3.816) 8.014 5.736 ( -1.964 -4.701 8.813) 10.179 5.815 ( -4.498 -1.608 7.624) 8.997 6.503 ( -0.612 0.253 -4.318) 4.369 6.625 ( 2.019 0.058 1.400) 2.457 7.733 ( 0.859 -1.700 9.304) 9.497 8.232 ( -5.630 -4.488 29.628) 30.490 8.497 ( -6.538 -0.636 -10.226) 12.154 9.000 ( 0.806 -5.737 3.236) 6.636 9.077 ( -4.126 -3.623 -13.017) 14.127 9.666 ( -0.299 4.129 0.145) 4.142 9.785 ( -3.012 2.742 10.086) 10.877 10.171 ( 7.126 -2.037 5.358) 9.146 10.336 ( 1.954 -3.874 -6.561) 7.866 10.487 ( 0.102 2.684 8.194) 8.623 10.844 ( 5.928 4.261 -7.362) 10.368 10.933 ( -6.298 -6.874 -19.272) 21.409 11.187 ( -2.740 8.741 -9.342) 13.084 11.374 ( 0.525 0.562 4.919) 4.979 11.969 ( 5.287 10.029 2.086) 11.528 12.117 ( -0.185 -1.968 10.520) 10.704 12.750 ( -15.138 -10.372 -12.617) 22.269 13.053 ( 13.520 2.519 5.762) 14.911 18.450 ( 0.417 0.141 0.685) 0.814 18.478 ( 0.254 0.585 0.390) 0.748 18.551 ( 1.307 0.089 -0.705) 1.488 18.557 ( -1.207 -0.625 -1.844) 2.291 18.581 ( -0.854 -0.170 -1.587) 1.811 18.649 ( 1.981 0.481 1.329) 2.434 19.538 ( 0.863 0.434 0.194) 0.986 19.608 ( -0.179 0.080 0.638) 0.667 19.625 ( 0.053 0.070 -0.978) 0.982 19.657 ( -1.325 -0.543 0.987) 1.739 20.294 ( -0.364 -0.085 -1.940) 1.975 20.372 ( 2.164 1.099 -0.493) 2.477 39.972 ( 0.187 0.314 -0.984) 1.050 40.191 ( -0.216 -1.831 3.471) 3.930 40.489 ( -0.624 -0.242 -2.312) 2.407 40.572 ( 1.719 -0.428 0.905) 1.989 40.639 ( -1.514 1.120 -3.638) 4.097 40.941 ( 1.512 0.663 0.447) 1.711 62.282 ( 0.242 2.050 -2.632) 3.345 62.801 ( 4.401 -1.140 -9.038) 10.117 62.967 ( -10.303 -6.422 31.818) 34.055 63.270 ( -4.677 10.201 10.347) 15.264 65.129 ( -29.905 -20.608 -26.930) 45.213 65.681 ( 29.209 7.379 8.336) 31.259 ======================= Grid point 108 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -17.424 2.118 2.565) 17.739 1.884 ( -15.049 5.909 4.528) 16.790 2.235 ( -12.358 -4.720 0.931) 13.262 2.556 ( -8.800 -2.107 1.101) 9.116 2.767 ( -26.044 -7.097 -4.249) 27.326 2.955 ( -4.986 -10.283 1.784) 11.567 3.258 ( -0.293 -1.606 -5.682) 5.912 3.286 ( -3.359 -2.567 3.799) 5.684 3.580 ( 3.789 2.051 -4.056) 5.917 3.678 ( 7.292 3.668 -4.268) 9.211 3.790 ( -2.264 -0.816 5.087) 5.628 4.173 ( 1.671 -0.748 -1.182) 2.179 4.224 ( 4.489 2.257 0.068) 5.024 4.322 ( 7.615 1.100 2.579) 8.114 4.584 ( 4.619 1.790 1.894) 5.303 4.596 ( 17.646 4.821 0.664) 18.305 4.856 ( 2.804 1.189 4.100) 5.107 4.963 ( 1.724 0.497 -5.630) 5.909 5.363 ( -4.741 0.686 -6.311) 7.923 5.517 ( -0.386 3.875 -8.245) 9.118 5.675 ( -2.149 -2.676 5.206) 6.235 5.805 ( 0.095 -1.164 10.108) 10.175 6.472 ( -1.046 -0.364 -2.350) 2.598 6.640 ( 0.041 -0.531 -0.817) 0.976 7.811 ( 5.127 -2.456 13.861) 14.982 8.235 ( -3.742 1.392 27.350) 27.640 8.302 ( -5.153 -5.671 -20.219) 21.623 8.947 ( 1.669 0.837 -5.428) 5.741 9.105 ( 6.332 -1.726 8.041) 10.379 9.712 ( 0.946 4.183 -1.693) 4.610 9.803 ( -2.326 1.000 13.540) 13.775 10.257 ( 5.187 -3.343 -3.224) 6.962 10.302 ( 1.712 -3.510 -6.888) 7.918 10.542 ( -2.327 5.235 7.309) 9.287 10.686 ( -4.432 -5.151 -23.086) 24.065 10.968 ( 2.640 6.626 -2.936) 7.714 11.205 ( -0.247 5.905 -5.759) 8.252 11.358 ( -4.358 -0.561 5.641) 7.151 12.062 ( -3.471 -5.312 9.505) 11.428 12.142 ( -5.520 3.728 8.887) 11.106 12.351 ( -6.262 -6.345 -15.167) 17.593 13.344 ( 13.587 2.832 0.845) 13.904 18.461 ( 0.393 -0.107 0.750) 0.854 18.487 ( -0.185 0.735 -0.034) 0.759 18.527 ( -0.921 0.022 -1.071) 1.413 18.539 ( -0.583 -0.967 -2.247) 2.514 18.597 ( 1.515 0.830 0.182) 1.737 18.693 ( 1.984 0.071 0.779) 2.133 19.567 ( 1.428 0.298 1.197) 1.887 19.601 ( -1.021 -0.089 0.842) 1.327 19.614 ( -0.291 -0.877 -0.284) 0.966 19.646 ( 0.083 0.670 -0.072) 0.679 20.271 ( -1.535 -0.252 -1.281) 2.015 20.407 ( 1.319 0.552 -1.961) 2.427 40.011 ( 3.236 1.309 1.115) 3.664 40.198 ( 1.356 -0.833 1.752) 2.367 40.455 ( -1.845 -0.771 -1.548) 2.529 40.584 ( 0.872 0.129 -5.830) 5.896 40.628 ( -1.215 0.777 5.892) 6.066 40.955 ( 0.204 0.069 -3.415) 3.421 62.295 ( 0.006 2.218 -3.458) 4.109 62.794 ( -4.121 -7.126 16.968) 18.859 62.874 ( 0.042 -5.493 10.764) 12.085 63.326 ( -5.246 11.491 9.255) 15.659 64.352 ( -26.597 -12.635 -22.467) 37.038 66.368 ( 34.730 8.968 1.023) 35.883 ======================= Grid point 109 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -21.162 -0.488 2.928) 21.369 1.560 ( -23.813 -1.463 3.126) 24.061 1.960 ( -13.734 -3.508 -0.314) 14.178 2.165 ( -31.202 -6.434 9.881) 33.356 2.318 ( -15.597 -2.060 0.943) 15.761 2.779 ( -6.743 -4.338 0.023) 8.018 3.132 ( -7.460 -0.875 -4.782) 8.905 3.296 ( 1.752 0.126 7.452) 7.656 3.655 ( 2.973 2.668 -3.746) 5.476 3.759 ( -0.301 -1.779 7.284) 7.505 3.834 ( 6.164 1.852 -8.013) 10.277 4.155 ( -1.419 0.699 -0.474) 1.651 4.313 ( 1.188 -0.706 4.774) 4.970 4.520 ( 11.644 1.723 -2.327) 11.999 4.720 ( 8.126 0.653 0.189) 8.155 4.865 ( 8.893 0.944 -4.378) 9.957 4.935 ( 2.437 0.728 4.421) 5.100 4.999 ( 4.661 1.278 -9.777) 10.906 5.246 ( -4.995 0.556 -9.629) 10.862 5.479 ( -0.462 0.873 -10.078) 10.126 5.660 ( -1.004 -0.265 6.458) 6.541 5.832 ( -0.467 -1.309 10.677) 10.767 6.449 ( -0.606 0.045 -1.077) 1.237 6.619 ( -0.809 -0.263 -3.493) 3.595 7.935 ( 4.956 -8.551 23.366) 25.371 8.066 ( -2.178 -7.291 -26.140) 27.225 8.374 ( 0.149 12.709 31.073) 33.572 9.063 ( 8.990 3.486 1.098) 9.705 9.265 ( 10.193 -2.734 6.200) 12.240 9.758 ( 0.872 -0.155 1.906) 2.102 9.824 ( -0.749 -0.010 11.636) 11.661 10.267 ( 0.176 1.581 -6.147) 6.349 10.291 ( 3.588 -3.287 -9.299) 10.496 10.506 ( -2.186 -2.684 -17.653) 17.989 10.553 ( -4.588 5.172 1.685) 7.117 11.021 ( -3.773 8.257 -4.676) 10.212 11.222 ( -4.182 -3.572 2.710) 6.131 11.299 ( -0.850 1.794 6.131) 6.444 11.822 ( -16.803 -3.553 -6.429) 18.338 11.947 ( -4.759 -6.865 3.388) 9.014 12.422 ( 6.104 2.875 3.284) 7.504 13.585 ( 10.904 1.592 -2.292) 11.256 18.466 ( 0.024 -0.209 0.472) 0.517 18.484 ( -0.483 0.383 -0.762) 0.980 18.511 ( -0.689 -0.562 -1.776) 1.986 18.518 ( -0.237 0.552 -1.129) 1.279 18.635 ( 1.658 0.586 0.222) 1.772 18.724 ( 1.544 -0.287 -0.679) 1.711 19.577 ( -1.319 -0.509 0.766) 1.608 19.586 ( 0.069 -0.065 -0.309) 0.323 19.603 ( -0.344 -0.345 -0.111) 0.500 19.684 ( 2.886 0.835 1.757) 3.481 20.218 ( -3.383 -0.288 -2.823) 4.416 20.417 ( 0.645 0.245 -3.692) 3.756 40.115 ( 5.530 1.593 2.637) 6.331 40.229 ( 2.503 -0.932 0.302) 2.688 40.404 ( -2.635 0.011 -0.203) 2.643 40.575 ( 0.365 -0.314 -3.447) 3.480 40.641 ( -1.260 1.090 6.563) 6.771 40.925 ( -1.012 -0.311 -7.861) 7.932 62.307 ( 0.483 2.395 -3.682) 4.419 62.697 ( -7.362 -1.904 17.085) 18.701 62.866 ( 1.985 -10.908 12.264) 16.532 63.357 ( -3.597 -2.106 -10.269) 11.083 63.852 ( -15.710 7.083 20.588) 26.849 67.072 ( 34.242 6.087 -1.630) 34.817 ======================= Grid point 113 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 17.200 6.777) 18.487 1.315 ( -0.000 16.102 13.738) 21.166 1.758 ( 0.000 15.211 -4.017) 15.733 1.994 ( 0.000 22.794 -6.499) 23.702 2.380 ( -0.000 20.506 47.083) 51.355 2.612 ( 0.000 6.506 -5.250) 8.360 2.938 ( 0.000 7.519 -1.837) 7.740 3.432 ( 0.000 -4.367 -21.193) 21.638 3.541 ( -0.000 -6.220 6.229) 8.803 3.841 ( -0.000 -3.238 6.846) 7.573 3.924 ( -0.000 3.626 11.065) 11.644 4.167 ( -0.000 -0.042 4.542) 4.542 4.431 ( -0.000 -0.953 3.484) 3.613 4.546 ( 0.000 -8.112 -6.993) 10.711 4.664 ( 0.000 -3.039 -19.432) 19.668 4.780 ( 0.000 -2.373 -14.384) 14.579 4.803 ( 0.000 -5.860 -8.460) 10.291 4.889 ( 0.000 7.258 -12.451) 14.412 5.099 ( -0.000 0.021 5.897) 5.897 5.223 ( 0.000 -1.534 -15.736) 15.811 5.827 ( -0.000 -2.069 10.091) 10.301 6.068 ( -0.000 2.159 10.467) 10.687 6.396 ( 0.000 1.100 -3.487) 3.656 6.474 ( 0.000 3.590 -7.190) 8.037 7.895 ( -0.000 -3.746 9.362) 10.083 8.747 ( -0.000 13.922 37.083) 39.610 8.795 ( -0.000 -17.016 9.988) 19.731 9.236 ( -0.000 -14.070 1.756) 14.179 9.631 ( -0.000 -10.101 3.589) 10.719 9.833 ( 0.000 -5.818 -25.644) 26.296 9.963 ( 0.000 3.849 -4.153) 5.662 10.121 ( -0.000 -10.771 24.136) 26.430 10.164 ( -0.000 5.001 9.052) 10.341 10.266 ( 0.000 -1.110 -9.799) 9.862 10.446 ( -0.000 0.963 0.620) 1.145 10.726 ( 0.000 0.496 -14.411) 14.420 11.206 ( 0.000 18.558 -9.526) 20.861 11.230 ( -0.000 9.305 1.668) 9.454 11.673 ( -0.000 -10.810 -0.039) 10.810 11.822 ( 0.000 14.631 -9.248) 17.309 12.695 ( -0.000 -6.240 17.920) 18.976 13.606 ( 0.000 -7.294 -9.088) 11.653 18.441 ( 0.000 -0.312 -1.963) 1.988 18.465 ( 0.000 0.065 -1.027) 1.029 18.473 ( 0.000 0.560 -0.458) 0.723 18.489 ( -0.000 1.248 0.354) 1.297 18.626 ( 0.000 -0.044 -3.265) 3.265 18.703 ( 0.000 1.346 -2.820) 3.124 19.565 ( 0.000 0.505 -1.036) 1.152 19.576 ( 0.000 0.752 -0.146) 0.766 19.601 ( -0.000 1.226 1.309) 1.793 19.696 ( 0.000 1.039 -5.230) 5.333 20.143 ( -0.000 3.591 5.123) 6.256 20.308 ( 0.000 0.033 -6.222) 6.222 40.207 ( -0.000 -4.482 -0.301) 4.492 40.283 ( -0.000 -2.814 0.609) 2.879 40.398 ( -0.000 -0.634 0.218) 0.670 40.606 ( -0.000 -1.675 4.125) 4.452 40.701 ( 0.000 2.953 -7.894) 8.428 40.703 ( -0.000 2.017 2.181) 2.971 62.313 ( -0.000 -2.219 1.881) 2.909 62.798 ( 0.000 11.933 -21.947) 24.981 62.850 ( -0.000 12.078 11.080) 16.390 63.014 ( -0.000 11.547 4.171) 12.278 65.397 ( -0.000 -60.512 81.009) 101.115 67.431 ( 0.000 -33.580 -10.019) 35.043 ======================= Grid point 114 (42/85) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 12.487 15.925 6.568) 21.276 1.631 ( 13.412 11.633 12.096) 21.483 1.905 ( -1.935 18.264 -2.408) 18.523 2.284 ( 7.965 19.643 -2.443) 21.337 2.669 ( 0.770 6.545 -2.303) 6.981 2.824 ( 10.126 15.484 33.240) 38.042 3.043 ( 2.473 6.546 -0.228) 7.001 3.305 ( -1.508 -3.550 -13.155) 13.709 3.466 ( -3.696 -4.641 0.946) 6.008 3.830 ( 1.302 -6.028 8.040) 10.133 3.965 ( -3.425 1.350 10.012) 10.667 4.193 ( 0.284 -0.606 0.864) 1.093 4.387 ( -1.584 -4.609 -1.267) 5.036 4.425 ( -1.964 -6.409 -4.835) 8.265 4.535 ( -2.828 -2.782 -13.286) 13.866 4.645 ( -5.082 -7.070 -12.131) 14.932 4.718 ( -0.186 -1.900 -9.381) 9.573 4.948 ( 2.582 5.507 -11.583) 13.083 5.131 ( 0.463 3.239 4.447) 5.521 5.205 ( 3.505 2.240 -8.292) 9.277 5.834 ( -0.323 -3.515 8.646) 9.339 6.083 ( -3.189 -0.060 6.467) 7.211 6.423 ( 2.662 1.575 -1.667) 3.514 6.496 ( 0.447 3.884 -5.025) 6.367 7.860 ( -3.039 -3.970 9.564) 10.792 8.593 ( -7.837 -9.551 12.204) 17.366 8.991 ( -5.284 8.813 23.490) 25.640 9.104 ( -0.574 -13.014 1.566) 13.121 9.509 ( -0.009 -8.435 7.845) 11.519 9.637 ( -5.208 -3.314 -20.871) 21.765 9.975 ( -1.632 1.598 1.289) 2.623 10.043 ( -6.439 -1.003 14.459) 15.860 10.182 ( 2.554 -3.814 -7.724) 8.985 10.312 ( 4.194 -0.922 9.436) 10.367 10.564 ( 5.772 1.103 0.577) 5.904 10.788 ( 12.539 1.878 -14.004) 18.891 11.224 ( -4.825 10.565 -5.799) 12.982 11.485 ( -0.013 -9.512 -1.022) 9.567 11.560 ( 9.064 12.811 -10.672) 18.978 11.905 ( -4.479 16.160 -5.521) 17.655 12.696 ( 0.808 -7.999 18.412) 20.091 13.452 ( -4.492 -8.156 -9.466) 13.278 18.435 ( 0.163 -0.247 -0.690) 0.751 18.459 ( -0.016 0.281 -0.540) 0.609 18.489 ( 0.840 0.487 -0.151) 0.982 18.515 ( 1.128 0.894 0.796) 1.645 18.611 ( 0.081 -0.747 -2.893) 2.989 18.692 ( -1.426 1.041 -2.787) 3.299 19.557 ( -1.056 0.660 -0.652) 1.406 19.587 ( 0.351 0.601 0.360) 0.783 19.615 ( -0.114 1.304 0.205) 1.325 19.695 ( 0.867 -0.632 -2.678) 2.885 20.209 ( 1.753 2.914 2.851) 4.438 20.291 ( 0.360 0.181 -4.654) 4.672 40.127 ( -3.142 -3.420 -0.026) 4.644 40.252 ( -0.169 -3.929 -0.496) 3.964 40.427 ( 2.736 0.478 0.459) 2.815 40.567 ( -2.716 -0.884 1.101) 3.061 40.695 ( -0.330 1.605 -4.073) 4.390 40.776 ( 3.129 2.113 1.689) 4.136 62.298 ( -1.006 -0.147 2.194) 2.418 62.784 ( -3.241 10.559 -21.034) 23.758 63.089 ( 6.171 8.959 7.626) 13.285 63.168 ( -0.108 13.225 10.642) 16.976 65.063 ( -4.891 -40.453 62.571) 74.669 66.886 ( -14.121 -35.108 -17.615) 41.741 ======================= Grid point 115 (43/85) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 12.831 15.208 7.065) 21.115 2.027 ( -5.086 17.813 7.682) 20.054 2.095 ( 20.763 8.470 1.271) 22.460 2.611 ( 8.902 10.773 4.385) 14.647 2.737 ( 0.838 6.301 -5.266) 8.254 3.066 ( -2.713 -2.790 -2.192) 4.467 3.261 ( 8.744 1.211 -7.038) 11.289 3.287 ( 4.859 5.334 11.040) 13.189 3.348 ( 0.096 0.783 7.830) 7.869 3.815 ( -1.441 -5.542 9.352) 10.966 3.899 ( -2.738 -5.313 3.918) 7.147 4.139 ( -4.151 -2.198 -5.408) 7.163 4.257 ( -6.035 -8.093 -1.744) 10.245 4.308 ( -3.655 -1.337 -10.133) 10.855 4.405 ( -6.443 -4.541 -5.718) 9.737 4.470 ( -1.274 0.826 0.473) 1.590 4.700 ( 2.417 -0.387 -4.677) 5.278 4.967 ( -0.051 1.463 -7.963) 8.096 5.241 ( 4.838 6.652 -0.678) 8.253 5.312 ( 5.397 5.021 -2.891) 7.918 5.804 ( -1.609 -5.022 8.511) 10.012 6.012 ( -5.202 -1.724 2.451) 6.004 6.499 ( 3.726 1.402 0.364) 3.998 6.521 ( 0.044 2.884 -3.055) 4.202 7.794 ( -3.372 -3.958 10.122) 11.379 8.399 ( -6.436 -7.204 0.391) 9.668 8.933 ( -8.386 -8.688 12.669) 17.502 8.989 ( -6.322 2.560 15.536) 16.967 9.337 ( -8.228 -4.920 -19.776) 21.977 9.628 ( 5.419 -1.887 10.189) 11.694 9.939 ( -5.233 1.825 6.474) 8.522 10.006 ( -1.172 0.540 3.786) 3.999 10.194 ( 5.992 -4.843 -5.370) 9.392 10.428 ( 3.294 2.370 12.076) 12.740 10.638 ( 4.514 0.898 -7.612) 8.895 11.043 ( 14.862 0.738 -4.261) 15.478 11.150 ( -5.007 -4.134 -13.451) 14.936 11.333 ( -3.852 5.345 -11.375) 13.145 11.900 ( 11.627 9.631 0.090) 15.098 11.975 ( -4.344 15.783 -1.514) 16.440 12.715 ( 4.185 -7.863 15.612) 17.974 13.204 ( -9.300 -8.788 -9.757) 16.091 18.437 ( 0.338 -0.153 0.567) 0.678 18.467 ( 0.312 0.611 0.459) 0.825 18.508 ( 1.001 0.288 -0.757) 1.288 18.546 ( 1.256 -0.228 0.554) 1.391 18.598 ( 0.471 -0.211 -1.976) 2.042 18.656 ( -2.296 0.596 -2.209) 3.242 19.542 ( -0.986 0.530 0.074) 1.122 19.601 ( 0.378 0.265 0.697) 0.836 19.626 ( 0.008 1.084 -0.920) 1.422 19.687 ( -0.007 -1.042 -0.762) 1.291 20.276 ( 1.882 1.341 -0.212) 2.321 20.292 ( 1.096 0.919 -1.681) 2.207 40.042 ( -3.293 -1.654 0.760) 3.763 40.204 ( -0.320 -3.544 -1.054) 3.711 40.485 ( 2.923 -0.028 0.694) 3.004 40.520 ( -1.686 -0.035 -1.213) 2.077 40.689 ( -1.022 1.408 -0.829) 1.928 40.854 ( 3.126 1.276 0.143) 3.379 62.296 ( -0.819 1.237 2.910) 3.267 62.749 ( -1.813 7.356 -22.430) 23.675 63.221 ( -1.534 -1.461 21.165) 21.271 63.367 ( -0.507 14.698 11.028) 18.382 64.964 ( 8.616 -18.128 34.825) 40.195 66.126 ( -22.920 -29.613 -23.805) 44.372 ======================= Grid point 116 (44/85) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -8.719 13.684 3.898) 16.687 2.102 ( 2.915 14.506 6.680) 16.234 2.536 ( 14.431 4.867 4.627) 15.917 2.680 ( -7.996 1.475 3.257) 8.759 2.881 ( 9.801 2.307 -4.073) 10.861 2.956 ( -1.282 -7.440 -0.665) 7.579 3.198 ( -0.835 -2.787 -8.517) 9.001 3.362 ( 5.493 3.097 -0.461) 6.323 3.612 ( -0.577 -2.836 5.838) 6.516 3.782 ( -6.375 -3.951 -3.064) 8.102 3.840 ( 6.333 -1.527 6.728) 9.365 3.902 ( -3.872 -5.372 -0.735) 6.663 4.121 ( -1.752 -0.901 0.858) 2.149 4.242 ( -1.986 2.170 -2.587) 3.917 4.305 ( -2.053 -0.579 -0.472) 2.185 4.483 ( 1.529 0.203 -0.732) 1.707 4.751 ( 3.192 0.453 2.975) 4.387 4.942 ( -0.472 0.883 -6.755) 6.829 5.401 ( 4.779 6.830 -3.300) 8.966 5.440 ( 3.338 5.538 -3.048) 7.148 5.747 ( -1.716 -5.927 9.842) 11.616 5.894 ( -5.442 -2.919 -0.053) 6.176 6.519 ( -1.455 1.753 -1.807) 2.908 6.580 ( 3.393 -0.002 0.535) 3.435 7.750 ( -1.386 -3.301 10.568) 11.158 8.234 ( -2.449 -5.219 -11.577) 12.933 8.732 ( -11.460 -6.662 17.741) 22.146 8.982 ( -1.620 0.389 9.895) 10.034 9.087 ( -7.989 -2.439 -6.514) 10.593 9.714 ( 1.677 0.108 4.056) 4.391 9.907 ( -3.478 2.343 7.733) 8.797 10.027 ( 3.797 -2.354 -1.569) 4.735 10.229 ( 3.906 -3.185 -3.349) 6.051 10.558 ( 1.428 4.769 10.353) 11.488 10.706 ( 6.286 -1.510 -10.539) 12.364 10.911 ( -4.810 -3.618 -17.499) 18.505 11.289 ( 7.936 2.385 0.442) 8.298 11.326 ( -1.908 8.869 -8.390) 12.356 12.066 ( -1.396 12.489 1.241) 12.628 12.110 ( 3.509 0.612 6.443) 7.362 12.840 ( 11.487 -3.688 7.216) 14.058 12.870 ( -13.316 -8.172 -9.340) 18.203 18.446 ( 0.441 -0.113 1.188) 1.273 18.483 ( 0.223 0.951 0.730) 1.219 18.522 ( 1.106 -0.576 -1.425) 1.894 18.553 ( 0.313 -0.105 -0.867) 0.928 18.605 ( -1.438 0.450 -1.134) 1.886 18.624 ( 0.892 -0.032 0.001) 0.893 19.538 ( -0.149 0.308 1.325) 1.369 19.608 ( 0.209 -0.131 -0.033) 0.249 19.629 ( -0.287 0.663 -0.745) 1.038 19.670 ( -0.621 -0.633 -0.282) 0.930 20.291 ( 0.243 0.385 -0.713) 0.846 20.340 ( 2.218 1.083 -1.065) 2.688 39.990 ( -1.833 -0.241 2.248) 2.911 40.167 ( 0.429 -2.463 -1.704) 3.026 40.495 ( -0.815 0.122 -1.309) 1.547 40.529 ( 2.095 -0.164 -1.637) 2.664 40.684 ( -1.558 1.226 3.727) 4.221 40.909 ( 2.324 0.615 -2.725) 3.634 62.315 ( -0.638 1.850 4.599) 4.998 62.704 ( 0.315 2.492 -19.918) 20.075 63.184 ( -7.791 -7.314 30.986) 32.777 63.497 ( -3.795 11.103 6.416) 13.373 65.252 ( 24.575 -3.459 11.445) 27.329 65.337 ( -26.264 -18.023 -22.728) 39.131 ======================= Grid point 117 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -17.499 4.885 4.497) 18.716 2.244 ( -8.634 13.997 3.961) 16.916 2.402 ( -14.202 -7.818 -2.514) 16.405 2.675 ( -3.969 -0.792 1.034) 4.177 2.873 ( 0.122 -7.503 4.056) 8.530 3.084 ( 4.371 3.921 -4.134) 7.182 3.168 ( -0.052 1.156 -3.172) 3.376 3.351 ( -14.531 -6.582 5.764) 16.962 3.534 ( 7.704 3.589 -1.354) 8.607 3.593 ( -0.799 0.063 -1.753) 1.928 3.827 ( -1.694 -3.690 1.495) 4.326 4.089 ( 8.208 0.958 -0.466) 8.277 4.162 ( 3.234 0.047 0.420) 3.261 4.278 ( 1.143 0.738 3.513) 3.768 4.331 ( 11.128 0.761 -0.546) 11.167 4.519 ( 3.481 -0.364 -3.019) 4.622 4.833 ( 3.050 0.458 7.099) 7.740 4.926 ( 0.467 1.120 -6.992) 7.096 5.445 ( -4.026 3.558 -5.426) 7.636 5.539 ( 1.770 5.732 -5.117) 7.885 5.698 ( -2.521 -3.982 4.727) 6.675 5.797 ( 0.306 -4.527 4.845) 6.638 6.496 ( -1.930 0.921 -0.343) 2.166 6.619 ( 1.433 -0.619 -1.149) 1.939 7.767 ( 2.143 -3.089 13.048) 13.579 8.095 ( -0.251 -5.723 -24.374) 25.038 8.564 ( -8.817 -2.550 24.954) 26.588 8.944 ( 0.444 -3.244 -4.863) 5.863 9.051 ( -1.666 3.955 17.116) 17.646 9.735 ( 0.348 0.342 -0.703) 0.856 9.903 ( -2.869 -0.608 11.373) 11.745 10.080 ( 6.515 -1.951 -7.703) 10.276 10.244 ( 1.489 -0.144 -3.079) 3.423 10.560 ( -0.246 -5.299 -20.814) 21.480 10.701 ( -3.146 6.319 1.549) 7.227 10.925 ( 6.556 3.300 2.238) 7.673 11.313 ( -4.296 8.676 -8.690) 13.009 11.409 ( 0.934 -0.306 3.696) 3.825 12.092 ( -3.038 -5.032 6.939) 9.094 12.205 ( 4.067 4.415 1.573) 6.206 12.487 ( -17.578 -2.981 -5.924) 18.787 13.094 ( 15.633 -0.721 0.441) 15.656 18.457 ( 0.344 -0.132 1.075) 1.136 18.492 ( 0.045 0.261 -1.538) 1.560 18.526 ( 0.223 -0.077 0.340) 0.414 18.550 ( -1.066 0.546 -1.719) 2.095 18.586 ( 0.269 0.380 0.454) 0.650 18.655 ( 2.090 -0.479 0.097) 2.147 19.554 ( 0.893 0.108 2.498) 2.655 19.605 ( 0.032 -0.393 -1.587) 1.635 19.623 ( -0.871 0.106 0.783) 1.176 19.654 ( -0.470 -0.032 -0.423) 0.633 20.290 ( -0.816 0.449 0.147) 0.943 20.376 ( 1.662 0.510 -2.650) 3.169 39.994 ( 0.792 0.625 3.979) 4.105 40.155 ( 1.495 -1.737 -2.830) 3.642 40.476 ( -1.223 0.201 -0.325) 1.282 40.547 ( 1.269 0.157 -4.020) 4.219 40.690 ( -1.543 1.086 8.180) 8.394 40.926 ( 1.067 0.042 -6.302) 6.391 62.339 ( -1.482 2.800 4.048) 5.140 62.672 ( 3.410 -3.838 -8.952) 10.320 63.061 ( -9.653 -6.471 28.087) 30.396 63.498 ( -4.668 2.262 -4.451) 6.835 64.692 ( -26.265 -1.149 -9.276) 27.878 65.799 ( 33.903 0.768 -0.105) 33.912 ======================= Grid point 118 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -20.745 0.091 4.991) 21.337 1.963 ( -21.290 -5.681 -2.313) 22.156 2.177 ( -12.430 4.510 0.031) 13.223 2.535 ( -10.342 0.118 0.811) 10.374 2.762 ( -28.626 1.749 10.402) 30.507 2.834 ( -2.902 -1.038 4.155) 5.173 3.199 ( -0.507 2.093 -3.406) 4.029 3.320 ( -0.681 1.051 4.703) 4.867 3.605 ( 3.045 2.656 -5.254) 6.628 3.696 ( 6.630 2.152 -5.096) 8.634 3.784 ( -0.557 -3.582 5.374) 6.482 4.178 ( 1.065 0.562 1.221) 1.714 4.256 ( 7.013 0.247 1.508) 7.178 4.329 ( 5.951 -1.357 1.424) 6.268 4.566 ( 8.711 -2.273 -5.689) 10.650 4.609 ( 13.965 -1.147 -6.525) 15.457 4.915 ( 2.663 -0.152 7.800) 8.244 4.925 ( 1.198 1.243 -9.110) 9.272 5.339 ( -7.248 1.674 -6.839) 10.105 5.513 ( -5.299 2.502 -10.465) 11.994 5.667 ( 1.607 -1.543 4.160) 4.719 5.826 ( 2.607 -3.833 9.408) 10.488 6.475 ( -1.693 1.376 0.876) 2.351 6.615 ( -0.193 -0.222 -3.355) 3.368 7.847 ( 3.591 -6.043 13.754) 15.446 7.924 ( 0.057 -6.387 -16.394) 17.594 8.598 ( -0.033 5.104 26.733) 27.216 8.967 ( 6.082 -0.721 -3.326) 6.969 9.151 ( 1.451 2.445 16.759) 16.999 9.734 ( 0.892 -2.643 -1.524) 3.178 9.871 ( -2.123 -3.656 9.711) 10.592 10.133 ( 5.247 -1.403 -17.378) 18.207 10.274 ( 0.855 4.006 -0.928) 4.200 10.436 ( 0.241 -1.458 -15.082) 15.154 10.707 ( -4.974 6.788 0.239) 8.419 11.096 ( 4.777 3.106 6.682) 8.781 11.278 ( -4.186 4.008 -5.481) 7.977 11.363 ( -4.032 -2.281 3.437) 5.769 11.968 ( -5.195 -6.965 1.407) 8.802 12.064 ( -14.140 -3.969 -12.182) 19.082 12.407 ( 1.128 7.569 11.537) 13.844 13.351 ( 14.250 -1.075 -3.399) 14.689 18.463 ( 0.198 -0.155 0.494) 0.554 18.483 ( -0.015 -0.317 -2.420) 2.441 18.518 ( -1.263 0.243 -1.012) 1.637 18.538 ( -0.670 1.250 0.556) 1.523 18.611 ( 1.520 0.158 0.608) 1.645 18.684 ( 1.962 -0.776 -1.017) 2.342 19.578 ( 0.347 0.041 -0.049) 0.353 19.592 ( -0.142 -0.520 -0.627) 0.827 19.609 ( -0.911 -0.211 1.535) 1.797 19.659 ( 1.155 0.135 1.021) 1.548 20.268 ( -2.453 0.686 -0.269) 2.561 20.390 ( 0.945 0.220 -4.252) 4.362 40.059 ( 3.481 0.876 4.472) 5.734 40.160 ( 2.509 -2.037 -2.864) 4.318 40.454 ( -1.947 0.974 0.908) 2.358 40.552 ( 0.705 0.075 -3.177) 3.255 40.709 ( -1.525 1.270 9.207) 9.418 40.900 ( -0.321 -0.294 -9.969) 9.979 62.341 ( -2.126 3.429 -2.489) 4.740 62.694 ( 5.465 -8.623 12.709) 16.301 62.933 ( -8.729 -2.742 17.346) 19.611 63.330 ( -5.542 -8.386 -17.602) 20.270 64.359 ( -19.622 15.119 17.366) 30.253 66.434 ( 37.387 -1.405 -5.089) 37.758 ======================= Grid point 123 (47/85) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 15.085 6.020) 16.242 1.619 ( -0.000 6.047 9.346) 11.131 2.133 ( -0.000 17.407 6.377) 18.539 2.435 ( 0.000 22.730 -3.402) 22.983 2.711 ( 0.000 4.967 -1.911) 5.322 2.898 ( -0.000 5.532 6.111) 8.243 3.199 ( -0.000 13.783 20.765) 24.923 3.251 ( 0.000 -2.467 -5.242) 5.794 3.473 ( -0.000 -2.747 1.801) 3.284 3.740 ( -0.000 -10.592 3.982) 11.316 4.052 ( -0.000 -1.951 9.172) 9.377 4.185 ( -0.000 -1.705 0.061) 1.706 4.334 ( 0.000 -5.055 -4.503) 6.770 4.353 ( 0.000 -5.593 -6.850) 8.844 4.504 ( 0.000 -0.506 -1.582) 1.661 4.612 ( 0.000 -1.901 -17.326) 17.430 4.640 ( 0.000 -4.050 -5.403) 6.752 4.946 ( 0.000 5.260 -9.839) 11.157 5.158 ( 0.000 2.512 -5.720) 6.247 5.183 ( -0.000 3.387 5.419) 6.391 5.832 ( -0.000 -3.594 7.281) 8.120 6.123 ( -0.000 -1.437 2.628) 2.995 6.406 ( 0.000 1.783 -2.299) 2.909 6.526 ( 0.000 4.525 -1.582) 4.793 7.879 ( -0.000 -4.287 9.147) 10.101 8.581 ( 0.000 -8.503 -1.949) 8.724 8.958 ( -0.000 -12.167 1.310) 12.238 9.304 ( -0.000 11.002 28.187) 30.258 9.447 ( 0.000 -3.371 -1.010) 3.519 9.585 ( 0.000 -1.884 -16.294) 16.403 10.004 ( -0.000 1.005 2.393) 2.596 10.049 ( -0.000 -13.719 28.142) 31.308 10.101 ( 0.000 -4.884 -14.572) 15.369 10.408 ( -0.000 4.659 16.527) 17.171 10.474 ( 0.000 2.139 -2.108) 3.003 10.646 ( 0.000 3.693 -15.218) 15.659 11.313 ( 0.000 -13.157 -10.803) 17.024 11.406 ( -0.000 6.346 0.551) 6.369 11.576 ( 0.000 20.431 -15.902) 25.890 12.088 ( 0.000 15.120 -4.610) 15.808 12.659 ( -0.000 -11.179 19.227) 22.241 13.376 ( 0.000 -7.582 -9.072) 11.823 18.429 ( -0.000 -0.278 0.410) 0.495 18.459 ( 0.000 -0.005 -0.084) 0.084 18.486 ( -0.000 0.637 0.313) 0.710 18.522 ( -0.000 1.061 1.000) 1.458 18.591 ( 0.000 -0.741 -3.021) 3.110 18.706 ( 0.000 1.085 -2.895) 3.092 19.573 ( 0.000 0.791 -0.317) 0.853 19.593 ( -0.000 0.556 1.003) 1.147 19.632 ( -0.000 0.994 0.499) 1.112 19.665 ( 0.000 -0.465 -3.653) 3.682 20.231 ( -0.000 2.222 2.208) 3.133 20.275 ( 0.000 0.378 -2.953) 2.977 40.110 ( 0.000 -4.179 -0.328) 4.192 40.230 ( -0.000 -2.450 0.738) 2.559 40.405 ( 0.000 1.798 -2.117) 2.778 40.582 ( -0.000 -2.791 2.338) 3.641 40.704 ( 0.000 1.667 -1.555) 2.280 40.771 ( -0.000 2.367 0.216) 2.377 62.317 ( -0.000 0.218 2.589) 2.598 62.852 ( 0.000 11.039 -24.545) 26.913 63.130 ( -0.000 8.105 2.570) 8.503 63.376 ( -0.000 17.073 11.776) 20.740 64.898 ( -0.000 -40.589 58.409) 71.127 66.570 ( 0.000 -34.782 -21.094) 40.678 ======================= Grid point 124 (48/85) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 12.334 11.277 5.722) 17.665 1.842 ( 14.730 4.017 6.843) 16.731 2.298 ( -2.443 12.836 9.316) 16.047 2.667 ( 1.960 18.892 -2.946) 19.221 2.761 ( 1.477 1.837 2.060) 3.130 3.015 ( 7.136 2.832 -5.740) 9.586 3.188 ( -3.834 -0.564 4.043) 5.600 3.337 ( -5.151 -3.582 -0.654) 6.308 3.459 ( -0.222 8.680 19.152) 21.028 3.712 ( 6.045 -7.501 2.326) 9.911 3.941 ( -6.216 -9.528 2.600) 11.670 4.158 ( -1.719 -1.727 -3.740) 4.464 4.241 ( -2.253 -5.927 -2.364) 6.767 4.298 ( 0.062 -0.474 -6.259) 6.277 4.463 ( -5.485 -1.728 -6.679) 8.814 4.512 ( -2.526 1.556 -1.651) 3.395 4.632 ( 3.106 -0.441 -1.193) 3.357 4.959 ( 0.065 3.221 -8.817) 9.387 5.215 ( 4.007 3.793 -0.406) 5.533 5.269 ( 3.785 3.755 2.328) 5.818 5.809 ( -1.044 -4.212 6.522) 7.834 6.074 ( -3.567 -1.939 -1.277) 4.256 6.446 ( 3.005 1.306 -0.928) 3.406 6.562 ( -0.677 3.464 0.069) 3.530 7.847 ( -2.640 -4.021 10.287) 11.357 8.418 ( -5.550 -5.612 -14.469) 16.482 8.861 ( -0.485 -9.110 6.984) 11.490 9.322 ( -6.174 -1.529 -8.931) 10.965 9.399 ( -6.528 0.537 12.959) 14.520 9.571 ( -2.701 5.518 5.432) 8.200 9.990 ( 3.942 -7.648 -5.932) 10.451 10.027 ( 0.521 -0.135 3.945) 3.981 10.071 ( -0.104 -6.506 21.084) 22.065 10.460 ( 1.761 5.132 8.379) 9.982 10.529 ( 2.998 -1.321 -12.467) 12.890 10.799 ( 12.577 4.647 0.361) 13.413 11.093 ( -3.551 -9.430 -16.410) 19.257 11.435 ( -2.393 7.072 -5.056) 9.017 11.824 ( 8.501 15.884 -7.871) 19.660 12.189 ( -3.067 12.883 -2.741) 13.524 12.617 ( 1.788 -12.998 17.634) 21.980 13.225 ( -5.363 -6.125 -8.230) 11.576 18.432 ( 0.266 -0.263 1.378) 1.428 18.467 ( 0.624 0.253 1.189) 1.366 18.494 ( 0.210 0.240 -0.246) 0.403 18.537 ( 0.350 0.376 0.743) 0.903 18.578 ( 0.500 -0.167 -2.459) 2.514 18.691 ( -1.581 0.893 -2.571) 3.147 19.570 ( -1.129 0.618 0.494) 1.379 19.602 ( 0.053 0.221 1.022) 1.047 19.633 ( -0.211 0.751 -1.512) 1.702 19.664 ( 0.967 -0.484 -1.671) 1.991 20.265 ( 0.933 1.198 0.625) 1.642 20.280 ( 0.711 0.810 -0.641) 1.254 40.065 ( -0.867 -2.718 0.646) 2.925 40.188 ( -1.918 -1.508 -0.925) 2.609 40.442 ( 2.262 1.360 -1.240) 2.916 40.543 ( -1.599 -1.808 0.645) 2.498 40.718 ( -0.201 1.095 2.223) 2.486 40.813 ( 2.238 1.360 -1.633) 3.086 62.326 ( -0.121 0.301 2.435) 2.457 62.818 ( -5.204 10.250 -23.454) 26.120 63.255 ( 3.656 2.532 7.362) 8.601 63.574 ( -0.900 14.072 7.055) 15.767 64.748 ( 4.355 -28.867 41.971) 51.126 66.061 ( -11.631 -24.842 -21.601) 34.914 ======================= Grid point 125 (49/85) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 15.889 6.067 4.550) 17.606 2.222 ( 18.662 4.897 -1.087) 19.324 2.374 ( -3.188 3.906 14.115) 14.988 2.784 ( -0.866 2.234 -8.428) 8.762 2.837 ( 0.163 5.602 4.797) 7.378 3.011 ( -9.742 0.078 1.507) 9.858 3.176 ( 0.678 -3.177 2.474) 4.084 3.248 ( 6.248 1.652 -5.048) 8.201 3.636 ( 3.657 4.764 14.724) 15.902 3.710 ( -1.963 -10.017 1.036) 10.260 3.799 ( 3.096 -3.160 -1.905) 4.816 3.992 ( -11.313 -2.323 -6.761) 13.383 4.164 ( -2.288 -1.537 3.449) 4.415 4.273 ( -1.171 1.454 -5.785) 6.079 4.362 ( -3.135 0.159 1.275) 3.388 4.461 ( -1.526 0.029 -5.625) 5.828 4.715 ( 3.444 0.965 7.382) 8.203 4.945 ( -1.002 2.061 -7.754) 8.086 5.360 ( 6.127 4.811 1.410) 7.917 5.397 ( 5.591 2.996 -0.272) 6.349 5.756 ( -2.167 -5.129 6.936) 8.894 5.959 ( -5.644 -1.825 -4.599) 7.505 6.515 ( 3.694 0.124 -0.383) 3.716 6.568 ( -1.746 1.828 0.548) 2.587 7.795 ( -2.952 -3.518 11.872) 12.729 8.199 ( -5.507 -3.159 -21.527) 22.444 8.794 ( -1.958 -6.047 9.003) 11.021 9.071 ( -10.817 -3.641 -12.978) 17.283 9.364 ( -9.475 3.317 27.325) 29.110 9.590 ( 4.509 -1.549 -9.603) 10.721 9.978 ( 1.674 -3.885 -0.012) 4.230 10.018 ( -2.569 -0.648 6.473) 6.995 10.137 ( 3.075 -0.319 13.383) 13.736 10.492 ( 3.446 -4.429 -21.956) 22.662 10.619 ( 5.282 4.580 8.971) 11.374 10.909 ( -3.428 0.906 -12.025) 12.537 11.098 ( 13.550 1.774 5.347) 14.674 11.442 ( -2.500 7.081 -7.496) 10.610 12.071 ( 5.636 6.818 -0.303) 8.851 12.226 ( -3.749 7.484 -2.126) 8.636 12.620 ( 7.845 -10.675 10.574) 16.950 13.006 ( -10.697 -2.235 -5.994) 12.463 18.443 ( 0.406 -0.214 2.015) 2.067 18.492 ( -0.113 0.294 -0.730) 0.795 18.495 ( 1.228 0.056 1.433) 1.888 18.544 ( 0.316 0.065 -0.541) 0.630 18.590 ( 1.288 0.107 -0.674) 1.458 18.654 ( -2.425 0.667 -1.799) 3.092 19.557 ( -0.976 0.216 1.753) 2.018 19.603 ( -0.044 0.007 -1.043) 1.044 19.637 ( 0.088 0.574 -0.328) 0.667 19.665 ( 0.196 -0.470 -1.265) 1.364 20.290 ( 0.608 0.744 1.220) 1.553 20.310 ( 1.655 0.677 -0.836) 1.974 40.032 ( -1.394 -1.111 3.561) 3.983 40.137 ( -1.228 -0.666 -4.120) 4.351 40.486 ( 1.894 0.421 -1.030) 2.197 40.509 ( -0.841 -0.393 -0.287) 0.972 40.736 ( -0.696 0.731 6.658) 6.734 40.855 ( 2.526 0.469 -4.795) 5.440 62.345 ( 0.887 -0.401 5.456) 5.542 62.720 ( -5.888 7.778 -23.784) 25.707 63.311 ( -2.334 -5.669 22.264) 23.093 63.646 ( -2.857 3.701 -4.764) 6.675 64.833 ( 17.780 -13.736 16.915) 28.123 65.546 ( -19.126 -5.798 -13.545) 24.143 ======================= Grid point 126 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -12.531 -1.263 5.462) 13.728 2.288 ( 7.135 -6.494 -1.349) 9.742 2.602 ( 10.288 -1.822 3.701) 11.085 2.654 ( -9.018 2.535 -4.434) 10.364 2.856 ( -1.095 0.763 3.712) 3.944 2.899 ( 2.872 0.128 -3.296) 4.374 3.246 ( 0.118 7.205 11.945) 13.950 3.380 ( 7.764 2.610 -8.762) 11.995 3.627 ( -1.103 -7.130 6.594) 9.774 3.693 ( -9.909 1.480 -4.460) 10.967 3.773 ( -3.717 1.817 3.622) 5.499 3.858 ( 10.065 -3.226 -5.530) 11.929 4.157 ( 0.092 0.558 7.006) 7.029 4.238 ( -1.285 0.696 -5.941) 6.118 4.343 ( -2.192 1.141 7.215) 7.626 4.436 ( 2.105 -1.020 -7.640) 7.990 4.813 ( 3.002 0.576 9.292) 9.782 4.918 ( -0.829 1.950 -7.649) 7.937 5.503 ( 4.915 2.247 -0.605) 5.438 5.510 ( 1.827 4.441 -1.754) 5.113 5.694 ( -0.293 -6.684 10.256) 12.246 5.806 ( -6.550 -1.574 -8.130) 10.558 6.549 ( -2.133 1.147 1.449) 2.822 6.568 ( 2.779 -0.683 -1.485) 3.224 7.772 ( -0.836 -3.405 13.874) 14.310 7.999 ( -4.119 -2.462 -24.427) 24.894 8.721 ( -5.529 -2.605 12.369) 13.797 8.857 ( -1.501 -4.321 -11.678) 12.542 9.342 ( -9.976 5.749 30.845) 32.924 9.620 ( 6.893 -4.237 -15.703) 17.666 9.955 ( -1.137 -3.732 5.537) 6.774 10.001 ( -0.494 0.573 -1.284) 1.490 10.231 ( 1.645 2.361 7.255) 7.805 10.402 ( 2.152 -4.215 -21.963) 22.467 10.798 ( 5.487 4.335 8.813) 11.251 10.878 ( -1.120 5.824 -5.283) 7.943 11.340 ( 8.183 0.306 6.575) 10.501 11.427 ( -3.139 4.856 -7.361) 9.361 12.124 ( -2.263 -3.200 5.443) 6.707 12.185 ( -2.168 -2.542 -4.380) 5.509 12.783 ( 1.995 0.642 0.260) 2.111 12.787 ( -0.163 1.457 -0.351) 1.508 18.455 ( 0.291 -0.167 2.028) 2.055 18.481 ( -0.019 -0.398 -2.182) 2.218 18.530 ( 0.754 0.952 2.277) 2.581 18.551 ( 0.564 0.309 -1.038) 1.221 18.610 ( -0.831 0.415 -0.227) 0.956 18.615 ( 0.291 -0.269 -0.805) 0.897 19.558 ( -0.018 -0.044 3.051) 3.051 19.595 ( -0.114 0.036 -2.616) 2.618 19.639 ( -0.408 0.157 0.812) 0.922 19.655 ( -0.160 -0.409 -1.276) 1.350 20.311 ( -0.164 0.881 2.244) 2.417 20.339 ( 1.750 0.156 -2.334) 2.922 40.023 ( -0.957 -0.003 6.374) 6.446 40.104 ( 0.320 -0.405 -6.605) 6.626 40.498 ( -0.636 0.604 0.502) 1.010 40.512 ( 1.420 0.021 -2.162) 2.586 40.759 ( -1.074 0.693 10.055) 10.136 40.871 ( 1.829 -0.153 -8.204) 8.407 62.396 ( 1.752 -0.885 12.445) 12.599 62.599 ( -4.004 3.739 -22.677) 23.329 63.240 ( -6.860 -8.722 27.752) 29.888 63.508 ( -4.565 -7.532 -17.829) 19.886 65.185 ( -18.514 11.872 1.236) 22.028 65.199 ( 24.939 -4.379 -0.933) 25.337 ======================= Grid point 127 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -16.862 -6.239 6.530) 19.128 2.097 ( -9.077 -15.101 -7.162) 19.019 2.496 ( -11.869 4.957 4.395) 13.592 2.629 ( -2.167 -3.507 -1.761) 4.483 2.896 ( -1.462 7.445 3.740) 8.459 3.074 ( 9.145 2.863 -7.610) 12.236 3.332 ( -15.365 1.903 3.477) 15.867 3.394 ( -1.823 9.350 14.856) 17.647 3.556 ( 5.742 4.784 -11.296) 13.544 3.675 ( -3.951 -1.681 -1.113) 4.435 3.719 ( 2.230 -0.488 9.539) 9.809 4.033 ( 14.859 -4.406 -10.108) 18.504 4.162 ( -1.986 -0.541 0.263) 2.075 4.272 ( 9.437 -3.688 -1.006) 10.182 4.344 ( -2.220 1.291 6.502) 6.991 4.448 ( 4.001 -2.189 -7.403) 8.695 4.898 ( 0.874 1.291 -1.182) 1.956 4.902 ( 1.408 0.856 1.103) 1.983 5.473 ( -7.200 2.440 -4.060) 8.618 5.593 ( 3.985 0.158 1.544) 4.276 5.626 ( -6.869 -0.826 -8.488) 10.951 5.740 ( 5.069 -5.275 9.146) 11.712 6.535 ( -1.955 1.853 2.502) 3.677 6.589 ( 1.362 -0.469 -3.149) 3.463 7.801 ( -0.148 -3.590 5.830) 6.848 7.826 ( -0.190 -4.098 -6.355) 7.565 8.699 ( -0.844 1.271 15.517) 15.592 8.813 ( 4.198 -2.630 -11.158) 12.208 9.367 ( -6.656 6.360 27.622) 29.115 9.624 ( 5.030 -4.448 -14.558) 16.032 9.906 ( -2.655 -4.261 9.438) 10.690 9.976 ( 1.680 -2.387 -16.376) 16.634 10.309 ( 0.941 4.644 3.946) 6.166 10.364 ( 2.433 1.414 -9.239) 9.658 10.865 ( -4.685 7.690 -2.769) 9.421 11.007 ( 8.832 0.680 6.805) 11.171 11.370 ( -3.999 1.282 -4.749) 6.339 11.400 ( -1.921 -3.517 2.244) 4.593 12.013 ( -5.889 -4.381 1.375) 7.468 12.085 ( -1.165 -6.305 -5.199) 8.255 12.671 ( -11.296 12.118 7.985) 18.390 13.034 ( 16.575 -3.401 -4.937) 17.626 18.462 ( -0.029 -0.131 0.938) 0.948 18.470 ( 0.041 -0.342 -1.892) 1.923 18.544 ( -1.115 0.780 -0.515) 1.455 18.561 ( 0.384 0.934 0.419) 1.094 18.598 ( -0.147 0.297 1.534) 1.570 18.634 ( 1.928 -0.791 -1.527) 2.583 19.576 ( 0.214 0.107 1.133) 1.158 19.582 ( 0.202 -0.166 -1.284) 1.310 19.631 ( -0.917 -0.162 1.290) 1.591 19.647 ( 0.344 -0.432 -0.382) 0.672 20.315 ( -1.426 1.069 2.049) 2.716 20.356 ( 1.291 -0.041 -3.659) 3.880 40.048 ( 0.624 0.705 5.399) 5.481 40.089 ( 1.661 -1.219 -4.894) 5.310 40.496 ( -1.022 1.143 1.454) 2.113 40.527 ( 1.083 0.093 -2.259) 2.506 40.786 ( -1.392 0.957 10.686) 10.819 40.854 ( 0.658 -0.514 -10.905) 10.937 62.429 ( -4.788 3.705 -4.227) 7.384 62.552 ( 6.340 -5.077 7.850) 11.296 63.116 ( -8.544 -6.059 18.902) 21.610 63.250 ( -4.047 -10.393 -18.840) 21.894 64.989 ( -22.948 21.471 13.039) 34.024 65.704 ( 35.497 -6.580 -9.160) 37.245 ======================= Grid point 133 (52/85) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.000 5.072 4.051) 6.491 1.758 ( -0.000 0.847 9.635) 9.672 2.436 ( -0.000 3.613 8.840) 9.550 2.752 ( 0.000 0.064 -1.911) 1.912 2.855 ( -0.000 17.178 2.937) 17.428 2.947 ( 0.000 2.201 -5.188) 5.635 3.254 ( -0.000 -1.809 12.741) 12.869 3.403 ( 0.000 0.562 -4.845) 4.877 3.522 ( -0.000 -9.279 0.994) 9.332 3.632 ( -0.000 8.050 13.930) 16.089 3.871 ( 0.000 -14.158 -1.356) 14.223 4.146 ( -0.000 -0.772 -0.039) 0.773 4.244 ( 0.000 1.332 -1.648) 2.119 4.254 ( 0.000 -0.886 -6.488) 6.548 4.451 ( 0.000 -1.165 -16.114) 16.156 4.575 ( 0.000 0.332 -2.423) 2.445 4.613 ( -0.000 3.540 12.516) 13.007 4.960 ( 0.000 3.334 -9.018) 9.615 5.209 ( -0.000 2.931 2.959) 4.165 5.271 ( -0.000 1.120 3.554) 3.727 5.800 ( -0.000 -3.603 4.555) 5.808 6.081 ( 0.000 -1.508 -3.816) 4.103 6.426 ( 0.000 1.198 -0.787) 1.433 6.601 ( -0.000 1.930 1.313) 2.334 7.877 ( -0.000 -3.146 11.896) 12.305 8.349 ( 0.000 -3.587 -23.665) 23.935 8.835 ( -0.000 -4.440 9.893) 10.844 9.252 ( 0.000 -2.114 -12.934) 13.105 9.512 ( 0.000 2.433 -5.470) 5.986 9.724 ( 0.000 -8.240 -10.615) 13.438 9.877 ( -0.000 7.146 9.591) 11.961 10.036 ( -0.000 -10.302 36.262) 37.697 10.061 ( -0.000 -0.672 8.937) 8.962 10.422 ( 0.000 -2.106 -17.235) 17.363 10.499 ( 0.000 1.234 -0.586) 1.366 10.761 ( -0.000 6.369 9.392) 11.348 10.994 ( 0.000 -2.771 -14.020) 14.291 11.489 ( 0.000 2.005 -1.605) 2.568 11.895 ( 0.000 18.966 -11.899) 22.390 12.313 ( 0.000 7.574 -3.690) 8.425 12.516 ( -0.000 -16.390 17.979) 24.329 13.206 ( 0.000 -1.586 -6.011) 6.217 18.434 ( -0.000 -0.172 2.010) 2.017 18.467 ( -0.000 0.000 2.262) 2.262 18.496 ( 0.000 0.060 -0.119) 0.133 18.539 ( -0.000 0.038 0.428) 0.429 18.565 ( 0.000 0.501 -2.104) 2.163 18.706 ( 0.000 0.972 -2.627) 2.801 19.591 ( -0.000 0.666 0.615) 0.907 19.610 ( -0.000 -0.064 1.838) 1.839 19.630 ( 0.000 0.062 -3.938) 3.938 19.645 ( 0.000 0.186 -0.521) 0.553 20.268 ( -0.000 0.490 0.381) 0.621 20.283 ( -0.000 0.955 1.464) 1.748 40.042 ( 0.000 -1.506 -1.663) 2.244 40.204 ( -0.000 -1.036 2.073) 2.318 40.434 ( 0.000 2.375 -2.029) 3.123 40.537 ( -0.000 -2.606 1.343) 2.932 40.732 ( -0.000 0.871 0.306) 0.923 40.804 ( -0.000 0.862 0.778) 1.161 62.326 ( 0.000 -0.462 -1.118) 1.209 62.925 ( 0.000 12.497 -18.268) 22.134 63.244 ( 0.000 2.369 -0.470) 2.415 63.693 ( 0.000 4.437 -4.529) 6.340 64.552 ( -0.000 -29.635 39.459) 49.348 65.912 ( 0.000 -8.524 -14.181) 16.546 ======================= Grid point 134 (53/85) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 12.488 -2.700 1.154) 12.829 1.927 ( 14.450 -1.410 8.073) 16.612 2.451 ( -0.695 -4.883 6.481) 8.145 2.736 ( 1.064 -3.913 -2.232) 4.629 2.993 ( -3.535 10.842 1.011) 11.448 3.022 ( 8.131 1.539 -6.294) 10.397 3.198 ( -9.042 -6.532 2.784) 11.497 3.292 ( -2.946 3.223 15.420) 16.026 3.587 ( 5.815 -3.565 -4.602) 8.228 3.601 ( -1.242 -12.510 -2.648) 12.848 3.817 ( -1.218 4.666 8.217) 9.528 4.120 ( -3.865 2.395 -3.042) 5.471 4.196 ( -1.517 0.113 -1.142) 1.902 4.292 ( -0.290 4.954 -0.369) 4.976 4.376 ( -1.093 0.244 -11.047) 11.103 4.527 ( -4.573 1.446 -0.131) 4.799 4.719 ( 1.931 2.399 11.864) 12.257 4.954 ( -0.586 2.677 -8.599) 9.025 5.305 ( 5.066 2.498 6.249) 8.424 5.321 ( 3.954 -0.754 2.591) 4.787 5.766 ( -1.447 -3.321 3.014) 4.713 6.013 ( -3.776 -0.736 -6.824) 7.834 6.458 ( 2.397 0.243 -0.244) 2.421 6.609 ( -0.891 0.288 1.748) 1.983 7.869 ( -2.982 -2.396 14.117) 14.626 8.187 ( -4.615 -0.539 -25.256) 25.680 8.815 ( -2.104 -1.512 5.067) 5.691 9.211 ( -8.030 -0.042 -9.745) 12.627 9.286 ( 0.720 -7.893 -23.009) 24.336 9.726 ( 3.154 -3.732 -3.941) 6.278 9.876 ( -5.044 4.109 20.101) 21.127 10.076 ( -1.204 -1.068 8.360) 8.514 10.184 ( 3.218 -1.561 25.657) 25.905 10.322 ( 0.119 -3.852 -18.720) 19.112 10.568 ( 5.771 2.133 0.578) 6.180 10.907 ( 6.724 -0.399 1.646) 6.934 10.984 ( 1.249 9.042 -0.147) 9.129 11.487 ( -0.401 1.012 -4.076) 4.219 12.075 ( 3.570 13.456 -7.278) 15.709 12.313 ( -2.692 0.379 -4.841) 5.552 12.425 ( 3.200 -16.981 14.045) 22.268 13.151 ( -5.674 4.554 -2.632) 7.737 18.444 ( 0.240 -0.090 2.583) 2.596 18.482 ( 0.305 -0.315 1.523) 1.585 18.496 ( 0.432 0.210 0.358) 0.599 18.538 ( 0.059 -0.322 -0.340) 0.473 18.574 ( 0.609 0.889 -0.699) 1.284 18.692 ( -1.575 0.931 -2.078) 2.769 19.584 ( -1.092 -0.115 1.286) 1.691 19.605 ( -0.538 0.272 -1.036) 1.199 19.632 ( 0.695 0.490 -1.065) 1.363 19.648 ( 0.509 -0.302 -1.198) 1.337 20.279 ( 1.023 -0.279 -0.019) 1.061 20.307 ( 0.304 1.091 3.088) 3.289 40.031 ( 0.338 -0.058 -1.520) 1.559 40.176 ( -2.864 0.153 0.870) 2.997 40.461 ( 1.165 0.921 -1.094) 1.845 40.515 ( -0.411 -0.981 1.074) 1.511 40.751 ( 1.558 0.158 -0.020) 1.566 40.820 ( 0.242 0.254 2.128) 2.157 62.321 ( 1.206 -1.208 -1.056) 2.007 62.884 ( -9.493 10.905 -17.800) 22.931 63.313 ( 3.740 -2.477 8.077) 9.239 63.616 ( -1.190 -7.885 -18.144) 19.819 64.478 ( 9.445 -21.412 22.550) 32.499 65.811 ( -9.906 12.671 -3.081) 16.376 ======================= Grid point 135 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 13.963 -11.906 -3.228) 18.632 2.252 ( 20.458 -4.514 4.122) 21.352 2.346 ( -4.137 -11.910 4.713) 13.460 2.691 ( 0.502 -5.469 -2.203) 5.918 2.925 ( -5.826 -2.062 -2.893) 6.824 3.039 ( -7.097 5.432 4.291) 9.914 3.208 ( 13.069 0.491 -8.582) 15.643 3.388 ( 1.776 -2.729 6.245) 7.043 3.416 ( -1.751 -2.412 7.238) 7.827 3.648 ( 5.020 -2.778 -7.168) 9.181 3.824 ( -4.669 0.924 2.543) 5.396 4.069 ( -7.694 9.558 1.703) 12.387 4.178 ( -0.650 -0.429 -0.115) 0.788 4.315 ( -5.133 7.774 0.218) 9.318 4.344 ( 1.151 -0.457 -5.686) 5.819 4.470 ( -4.321 2.402 4.174) 6.470 4.816 ( 1.944 1.381 11.000) 11.256 4.931 ( -1.217 2.329 -8.200) 8.611 5.400 ( 5.578 -2.921 2.511) 6.779 5.464 ( 6.781 1.308 7.452) 10.160 5.702 ( -2.960 -3.089 1.694) 4.602 5.890 ( -6.150 0.308 -9.308) 11.161 6.501 ( 2.844 -0.774 -1.058) 3.131 6.596 ( -1.307 0.004 2.463) 2.788 7.836 ( -3.745 -2.806 15.726) 16.407 7.997 ( -6.299 1.035 -24.231) 25.057 8.768 ( -1.403 -1.194 -7.608) 7.828 8.909 ( -10.371 -3.140 -1.970) 11.014 9.320 ( 10.304 -2.755 -24.479) 26.701 9.675 ( -7.805 1.846 15.054) 17.057 9.943 ( 0.646 0.974 9.436) 9.508 10.027 ( -3.260 -2.925 -3.273) 5.468 10.259 ( 2.923 -1.066 -9.980) 10.453 10.292 ( 0.068 1.252 18.799) 18.841 10.706 ( 7.403 0.668 1.676) 7.620 10.983 ( -0.866 8.790 -5.493) 10.401 11.200 ( 10.537 1.723 10.175) 14.749 11.463 ( -0.933 -0.592 -4.900) 5.023 12.144 ( -2.578 -3.125 1.313) 4.259 12.200 ( -4.420 -5.270 -1.128) 6.970 12.464 ( 12.934 -5.959 -1.974) 14.377 13.088 ( -9.550 10.289 1.465) 14.114 18.458 ( 0.251 -0.087 2.419) 2.433 18.476 ( -0.305 -0.246 -0.530) 0.659 18.525 ( 1.340 0.037 2.184) 2.563 18.537 ( 0.647 -0.020 -0.923) 1.127 18.591 ( 0.515 0.696 -0.564) 1.033 18.659 ( -2.296 0.915 -0.740) 2.580 19.573 ( -0.525 -0.296 2.105) 2.189 19.593 ( -0.538 0.431 -2.021) 2.135 19.640 ( 0.347 -0.553 -1.255) 1.414 19.648 ( 0.029 0.284 -0.427) 0.514 20.297 ( 1.695 -0.706 -0.852) 2.024 20.335 ( 0.035 1.106 3.895) 4.049 40.038 ( 0.512 0.635 -0.713) 1.083 40.125 ( -3.367 1.102 -0.474) 3.574 40.479 ( 1.325 -0.539 -0.960) 1.722 40.516 ( -0.207 0.802 1.436) 1.657 40.783 ( 2.395 -0.439 -3.248) 4.059 40.832 ( -0.534 0.089 5.336) 5.363 62.348 ( 3.475 -2.053 3.257) 5.187 62.723 ( -10.375 7.097 -18.040) 21.988 63.302 ( -1.550 -11.639 7.820) 14.108 63.409 ( -3.246 -9.676 -10.667) 14.763 64.640 ( 22.183 -11.338 -0.182) 24.913 65.771 ( -17.870 25.303 4.915) 31.365 ======================= Grid point 143 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 -9.283 -1.209) 9.361 1.791 ( -0.000 -5.376 9.746) 11.130 2.382 ( -0.000 -10.967 1.082) 11.020 2.658 ( 0.000 -7.675 -2.598) 8.103 2.901 ( 0.000 -6.155 -6.591) 9.018 3.084 ( -0.000 -4.596 2.913) 5.441 3.308 ( -0.000 2.816 21.896) 22.076 3.335 ( 0.000 -4.953 -7.031) 8.601 3.447 ( 0.000 -12.643 -3.981) 13.255 3.538 ( -0.000 7.636 2.009) 7.895 3.896 ( 0.000 3.242 -1.282) 3.486 4.162 ( -0.000 1.011 0.947) 1.385 4.208 ( 0.000 4.783 -6.770) 8.290 4.332 ( 0.000 1.085 -3.263) 3.439 4.432 ( -0.000 12.366 3.082) 12.744 4.592 ( 0.000 2.783 -1.564) 3.192 4.779 ( -0.000 2.675 13.430) 13.694 4.953 ( 0.000 2.753 -9.285) 9.685 5.275 ( -0.000 -3.522 4.846) 5.991 5.306 ( -0.000 1.394 9.941) 10.038 5.757 ( -0.000 -2.269 0.032) 2.269 6.009 ( 0.000 -0.588 -10.153) 10.170 6.440 ( -0.000 0.043 0.956) 0.957 6.620 ( -0.000 -1.110 2.668) 2.889 7.943 ( -0.000 -1.177 17.520) 17.560 8.148 ( 0.000 2.771 -24.631) 24.787 8.867 ( -0.000 2.176 3.263) 3.922 9.001 ( 0.000 -9.959 -41.000) 42.192 9.329 ( 0.000 -4.188 -13.727) 14.352 9.582 ( 0.000 5.592 0.055) 5.592 10.064 ( 0.000 -0.998 -9.294) 9.348 10.156 ( -0.000 3.079 8.825) 9.347 10.166 ( -0.000 -5.619 38.937) 39.340 10.288 ( -0.000 1.134 3.244) 3.437 10.515 ( -0.000 -0.304 2.284) 2.304 10.838 ( -0.000 -0.441 3.792) 3.818 11.082 ( 0.000 11.108 -3.082) 11.528 11.463 ( 0.000 -2.440 -3.902) 4.602 12.160 ( 0.000 14.431 -10.035) 17.577 12.260 ( -0.000 -20.467 16.491) 26.284 12.292 ( 0.000 -5.075 -6.101) 7.936 13.270 ( 0.000 9.081 0.042) 9.081 18.452 ( -0.000 0.083 2.887) 2.888 18.487 ( 0.000 -0.175 -1.330) 1.341 18.487 ( -0.000 -0.217 3.180) 3.187 18.531 ( -0.000 -0.889 0.151) 0.902 18.581 ( 0.000 1.609 -0.233) 1.626 18.709 ( 0.000 1.040 -1.851) 2.124 19.593 ( 0.000 -0.457 -0.398) 0.606 19.615 ( -0.000 -0.555 1.298) 1.412 19.629 ( 0.000 2.205 -2.581) 3.394 19.632 ( 0.000 -0.882 -1.005) 1.337 20.262 ( -0.000 -1.316 0.431) 1.385 20.332 ( -0.000 1.197 4.767) 4.916 40.028 ( 0.000 2.005 -3.086) 3.680 40.213 ( -0.000 0.395 1.653) 1.700 40.451 ( 0.000 -0.635 -0.489) 0.802 40.518 ( -0.000 0.412 1.679) 1.729 40.719 ( 0.000 -0.216 -5.464) 5.469 40.843 ( -0.000 -0.294 8.111) 8.116 62.288 ( 0.000 -0.936 -3.237) 3.370 63.089 ( 0.000 13.659 -12.025) 18.198 63.213 ( 0.000 -4.661 -4.175) 6.257 63.418 ( 0.000 -13.751 -24.879) 28.426 64.241 ( -0.000 -22.942 20.805) 30.970 66.113 ( -0.000 26.880 2.740) 27.020 ======================= Grid point 144 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.012 -14.395 -3.270) 18.417 1.878 ( 13.716 -9.816 6.052) 17.920 2.247 ( -0.321 -14.404 -0.002) 14.408 2.572 ( 2.262 -10.173 -1.812) 10.577 2.822 ( 8.981 -18.557 -13.445) 24.612 2.961 ( -4.363 -9.161 1.377) 10.240 3.197 ( -3.458 -3.322 3.543) 5.962 3.344 ( -0.935 -2.052 -2.345) 3.253 3.492 ( 3.459 4.016 13.364) 14.376 3.624 ( -0.858 8.267 0.587) 8.332 3.869 ( -1.428 -1.556 -6.591) 6.921 4.171 ( 0.478 0.102 -1.037) 1.147 4.239 ( -2.343 7.893 -2.294) 8.547 4.343 ( -1.468 4.125 -1.600) 4.662 4.556 ( -4.668 13.970 7.089) 16.346 4.589 ( -3.407 4.377 1.271) 5.690 4.857 ( 0.375 2.130 11.818) 12.014 4.941 ( -0.624 2.462 -8.782) 9.142 5.287 ( 3.690 -5.054 6.227) 8.828 5.400 ( 4.333 -0.050 11.555) 12.340 5.719 ( -1.412 -1.429 -2.722) 3.383 5.934 ( -2.817 -0.245 -11.721) 12.058 6.454 ( 1.276 -0.639 0.751) 1.612 6.614 ( -0.323 -1.200 3.395) 3.615 7.960 ( -4.656 -1.755 19.902) 20.514 8.046 ( -5.767 4.362 -23.361) 24.455 8.697 ( -0.405 -7.613 -34.391) 35.226 8.952 ( 2.815 0.915 -5.964) 6.658 9.194 ( -6.073 4.662 -8.867) 11.715 9.714 ( 4.301 3.313 -2.160) 5.843 9.985 ( -0.919 -2.580 -14.902) 15.152 10.133 ( -8.027 1.493 21.883) 23.356 10.208 ( 1.139 -0.180 5.575) 5.693 10.382 ( 0.303 -0.989 24.572) 24.594 10.582 ( 6.218 -0.282 -0.763) 6.271 10.951 ( 8.891 2.236 3.506) 9.815 11.176 ( 0.460 8.068 -1.574) 8.233 11.419 ( 0.654 -4.148 -4.760) 6.348 12.131 ( 2.407 -19.675 15.019) 24.869 12.155 ( -3.878 -7.718 -6.468) 10.791 12.289 ( 2.916 9.946 -9.169) 13.838 13.336 ( -4.761 11.322 2.076) 12.457 18.464 ( -0.015 0.112 1.818) 1.822 18.479 ( -0.115 -0.131 0.390) 0.427 18.507 ( 1.034 -0.407 2.091) 2.368 18.523 ( 0.229 -0.723 0.041) 0.760 18.599 ( 0.069 1.662 -0.074) 1.666 18.701 ( -1.416 1.066 -0.812) 1.950 19.582 ( -0.454 -0.140 -0.058) 0.479 19.606 ( -0.818 -0.354 0.561) 1.054 19.618 ( 0.424 -0.839 -1.834) 2.060 19.650 ( 0.354 1.575 -1.357) 2.109 20.257 ( 1.161 -1.913 0.777) 2.369 20.363 ( 0.036 1.090 5.090) 5.205 40.045 ( -0.062 3.268 -3.297) 4.642 40.198 ( -2.754 1.077 0.887) 3.087 40.445 ( 0.978 -1.674 -0.028) 1.939 40.535 ( -0.105 1.181 2.263) 2.554 40.710 ( 1.957 -0.637 -7.192) 7.480 40.870 ( -0.203 -0.547 9.850) 9.868 62.287 ( 1.917 -0.589 -0.810) 2.163 62.939 ( -12.814 4.293 -15.484) 20.552 63.121 ( -0.205 -13.771 -21.997) 25.953 63.353 ( 4.231 -2.841 5.113) 7.219 64.188 ( 12.363 -15.909 2.244) 20.273 66.350 ( -10.310 32.751 4.496) 34.629 ======================= Grid point 153 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 -17.107 -2.859) 17.345 1.639 ( -0.000 -15.147 2.460) 15.346 2.090 ( 0.000 -15.050 -1.243) 15.101 2.416 ( -0.000 -14.020 -0.146) 14.021 2.438 ( 0.000 -27.992 -14.773) 31.651 2.895 ( -0.000 -12.006 2.882) 12.347 3.167 ( -0.000 -7.847 6.047) 9.907 3.321 ( 0.000 0.992 -10.164) 10.212 3.569 ( -0.000 5.905 10.240) 11.820 3.739 ( -0.000 8.421 6.104) 10.401 3.824 ( 0.000 -2.252 -9.582) 9.843 4.153 ( -0.000 -1.496 0.496) 1.576 4.316 ( 0.000 5.007 -4.344) 6.628 4.443 ( -0.000 9.215 2.712) 9.606 4.679 ( 0.000 7.188 -1.974) 7.454 4.769 ( -0.000 12.326 8.968) 15.243 4.927 ( -0.000 2.963 11.415) 11.793 4.938 ( 0.000 2.540 -8.445) 8.819 5.227 ( -0.000 -5.382 9.502) 10.920 5.411 ( -0.000 0.756 12.559) 12.582 5.699 ( 0.000 -1.574 -5.548) 5.767 5.900 ( 0.000 -1.008 -13.737) 13.774 6.445 ( -0.000 -0.560 2.028) 2.104 6.616 ( -0.000 -1.421 4.003) 4.248 8.064 ( -0.000 -3.499 18.876) 19.198 8.119 ( 0.000 11.433 -15.672) 19.399 8.391 ( 0.000 -11.894 -44.560) 46.120 8.980 ( 0.000 7.922 0.243) 7.926 9.306 ( 0.000 7.121 -11.005) 13.108 9.705 ( 0.000 5.548 -0.441) 5.566 9.900 ( 0.000 -1.832 -18.514) 18.604 10.225 ( -0.000 -0.787 10.002) 10.033 10.333 ( -0.000 -2.744 23.784) 23.942 10.411 ( -0.000 1.955 7.453) 7.706 10.524 ( -0.000 -2.879 9.458) 9.886 10.882 ( -0.000 1.060 5.666) 5.764 11.243 ( 0.000 6.882 -6.250) 9.296 11.335 ( 0.000 -6.157 -5.700) 8.390 11.932 ( -0.000 -19.536 9.514) 21.730 12.091 ( 0.000 -8.358 -5.954) 10.262 12.354 ( 0.000 8.954 -3.233) 9.520 13.503 ( -0.000 11.086 2.398) 11.342 18.471 ( -0.000 -0.230 1.229) 1.250 18.477 ( 0.000 0.121 -0.912) 0.919 18.504 ( -0.000 -0.121 2.671) 2.673 18.516 ( -0.000 -1.056 1.656) 1.964 18.618 ( 0.000 1.888 -0.009) 1.888 18.723 ( 0.000 1.104 -0.362) 1.162 19.586 ( -0.000 -0.010 0.019) 0.022 19.596 ( 0.000 -1.319 -1.764) 2.203 19.610 ( -0.000 -0.872 0.933) 1.277 19.665 ( 0.000 2.966 -2.082) 3.624 20.227 ( -0.000 -2.975 2.467) 3.865 20.393 ( -0.000 0.905 4.961) 5.042 40.080 ( 0.000 5.152 -3.033) 5.978 40.237 ( 0.000 1.436 -0.810) 1.649 40.415 ( -0.000 -2.518 0.992) 2.706 40.560 ( -0.000 1.239 2.812) 3.073 40.657 ( 0.000 -0.913 -6.655) 6.718 40.901 ( -0.000 -0.985 9.567) 9.617 62.269 ( -0.000 0.726 0.399) 0.829 62.861 ( 0.000 -12.889 -21.953) 25.457 63.117 ( 0.000 -7.034 -7.524) 10.299 63.264 ( 0.000 10.920 -11.811) 16.085 63.907 ( -0.000 -17.780 1.912) 17.882 66.815 ( -0.000 35.187 2.706) 35.291 ======================= Grid point 184 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -0.000 0.000 21.206) 21.206 0.534 ( -0.000 0.000 21.206) 21.206 1.444 ( 0.000 -0.000 -11.191) 11.191 1.444 ( 0.000 -0.000 -11.191) 11.191 1.571 ( -0.000 0.000 74.326) 74.326 2.486 ( 0.000 -0.000 -4.909) 4.909 2.732 ( -0.000 0.000 1.051) 1.051 3.642 ( 0.000 -0.000 -28.912) 28.912 3.754 ( -0.000 0.000 10.372) 10.372 3.806 ( -0.000 0.000 6.391) 6.391 3.806 ( -0.000 0.000 6.391) 6.391 4.230 ( -0.000 0.000 8.681) 8.681 4.230 ( -0.000 0.000 8.681) 8.681 4.739 ( 0.000 -0.000 -8.792) 8.792 4.768 ( 0.000 -0.000 -17.309) 17.309 4.768 ( 0.000 -0.000 -17.309) 17.309 4.960 ( 0.000 -0.000 -12.803) 12.803 4.960 ( 0.000 -0.000 -12.803) 12.803 5.116 ( -0.000 0.000 4.515) 4.515 5.385 ( 0.000 -0.000 -21.954) 21.954 5.845 ( -0.000 0.000 14.165) 14.165 5.845 ( -0.000 0.000 14.165) 14.165 6.397 ( 0.000 -0.000 -4.899) 4.899 6.397 ( 0.000 -0.000 -4.899) 4.899 8.126 ( -0.000 0.000 26.313) 26.313 8.126 ( -0.000 0.000 26.313) 26.313 9.601 ( 0.000 -0.000 -7.571) 7.571 9.601 ( 0.000 -0.000 -7.571) 7.571 9.725 ( -0.000 0.000 0.962) 0.962 9.725 ( -0.000 0.000 0.962) 0.962 10.060 ( -0.000 0.000 10.699) 10.699 10.149 ( 0.000 -0.000 -18.743) 18.743 10.149 ( 0.000 -0.000 -18.743) 18.743 10.526 ( -0.000 0.000 6.074) 6.074 10.526 ( -0.000 0.000 6.074) 6.074 10.596 ( 0.000 -0.000 -13.233) 13.233 10.953 ( 0.000 -0.000 -4.305) 4.305 10.953 ( 0.000 -0.000 -4.305) 4.305 11.486 ( 0.000 -0.000 -7.717) 7.717 11.900 ( -0.000 0.000 13.825) 13.825 12.744 ( -0.000 0.000 16.165) 16.165 13.817 ( 0.000 -0.000 -10.085) 10.085 18.453 ( 0.000 -0.000 -0.525) 0.525 18.453 ( 0.000 -0.000 -0.525) 0.525 18.464 ( 0.000 -0.000 -3.521) 3.521 18.475 ( -0.000 -0.000 -0.043) 0.043 18.475 ( 0.000 -0.000 -0.043) 0.043 18.698 ( 0.000 -0.000 -1.178) 1.178 19.547 ( -0.000 0.000 1.691) 1.691 19.547 ( -0.000 0.000 1.691) 1.691 19.565 ( 0.000 -0.000 -1.274) 1.274 19.565 ( 0.000 -0.000 -1.274) 1.274 20.041 ( -0.000 0.000 11.257) 11.257 20.332 ( 0.000 -0.000 -7.374) 7.374 40.313 ( -0.000 0.000 1.424) 1.424 40.313 ( -0.000 0.000 1.424) 1.424 40.556 ( 0.000 -0.000 -1.509) 1.509 40.556 ( 0.000 -0.000 -1.509) 1.509 40.573 ( -0.000 0.000 11.074) 11.074 40.723 ( 0.000 -0.000 -10.780) 10.780 62.515 ( -0.000 0.000 0.723) 0.723 62.515 ( 0.000 0.000 0.723) 0.723 62.588 ( 0.000 -0.000 -0.930) 0.930 62.588 ( 0.000 -0.000 -0.930) 0.930 68.063 ( 0.000 -0.000 -2.861) 2.861 68.229 ( -0.000 0.000 1.619) 1.619 ======================= Grid point 185 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 18.180 10.496 14.283) 25.391 0.832 ( 12.878 7.435 17.935) 23.298 1.439 ( 5.209 3.007 -12.841) 14.180 1.642 ( 16.828 9.716 -9.030) 21.427 2.008 ( 11.762 6.791 71.203) 72.486 2.502 ( 2.483 1.433 -3.484) 4.512 2.810 ( 6.092 3.517 0.447) 7.049 3.506 ( -2.222 -1.283 -25.633) 25.761 3.683 ( -7.215 -4.166 6.661) 10.667 3.839 ( 0.611 0.353 6.828) 6.865 3.857 ( 1.150 0.664 9.572) 9.664 4.271 ( 1.419 0.819 6.062) 6.280 4.306 ( 0.995 0.574 10.871) 10.932 4.695 ( -1.239 -0.715 -19.534) 19.586 4.717 ( 0.887 0.512 -10.111) 10.163 4.718 ( 0.411 0.237 -12.412) 12.422 4.847 ( -1.869 -1.079 -18.852) 18.975 4.909 ( -2.357 -1.361 -8.002) 8.452 5.110 ( -1.412 -0.815 2.971) 3.389 5.272 ( -1.961 -1.132 -20.726) 20.849 5.920 ( 0.441 0.255 12.870) 12.880 5.923 ( 2.112 1.219 10.873) 11.143 6.396 ( 1.359 0.785 -4.500) 4.766 6.396 ( 1.848 1.067 -7.837) 8.123 8.020 ( -7.961 -4.597 23.252) 25.003 8.408 ( 4.081 2.356 32.893) 33.229 9.258 ( -13.108 -7.568 -16.427) 22.337 9.616 ( -3.704 -2.138 13.920) 14.562 9.636 ( -3.290 -1.900 0.932) 3.912 9.808 ( 2.728 1.575 -3.283) 4.550 9.951 ( -6.362 -3.673 -24.362) 25.445 10.021 ( -12.829 -7.407 13.211) 19.849 10.244 ( 5.274 3.045 -6.211) 8.699 10.394 ( 5.299 3.059 7.155) 9.414 10.457 ( -1.800 -1.039 -5.787) 6.149 10.857 ( -0.070 -0.040 -11.418) 11.418 10.954 ( 16.979 9.803 1.187) 19.641 11.077 ( 7.658 4.421 -0.254) 8.846 11.414 ( -3.121 -1.802 -11.164) 11.731 11.871 ( -5.919 -3.417 7.415) 10.085 12.793 ( -1.329 -0.767 18.751) 18.814 13.727 ( -3.998 -2.308 -10.744) 11.693 18.447 ( -0.178 -0.102 -2.014) 2.024 18.454 ( 0.016 0.009 -0.894) 0.894 18.464 ( 0.701 0.405 -0.278) 0.856 18.494 ( 1.115 0.644 0.149) 1.296 18.555 ( 4.798 2.770 -5.493) 7.802 18.685 ( -0.571 -0.330 -2.313) 2.405 19.541 ( -0.476 -0.275 -0.277) 0.616 19.565 ( 0.516 0.298 0.255) 0.648 19.570 ( 0.600 0.346 -0.915) 1.148 19.644 ( 5.351 3.089 -3.881) 7.297 20.091 ( 1.228 0.709 9.605) 9.709 20.307 ( 0.165 0.095 -6.700) 6.703 40.244 ( -4.019 -2.320 0.100) 4.641 40.377 ( 2.605 1.504 3.449) 4.577 40.504 ( -4.054 -2.341 5.013) 6.859 40.509 ( -0.898 -0.519 -4.916) 5.025 40.681 ( 3.852 2.224 3.944) 5.945 40.681 ( -0.166 -0.096 -7.912) 7.914 62.385 ( -5.174 -2.987 -0.744) 6.021 62.548 ( 1.204 0.695 -5.894) 6.056 62.684 ( 9.336 5.390 3.482) 11.329 62.771 ( 8.673 5.007 2.296) 10.275 66.960 ( -69.233 -39.972 58.525) 99.076 68.007 ( -18.338 -10.587 -3.198) 21.414 ======================= Grid point 186 (60/85) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 13.774 7.952 14.035) 21.212 1.321 ( 15.388 8.884 11.098) 20.950 1.626 ( 16.104 9.298 -9.953) 21.091 2.095 ( 21.820 12.598 -5.410) 25.769 2.565 ( 3.246 1.874 -1.388) 3.996 2.600 ( 16.004 9.240 58.503) 61.352 3.004 ( 10.186 5.881 -3.170) 12.181 3.360 ( -2.530 -1.461 -19.842) 20.056 3.510 ( -8.128 -4.692 2.956) 9.840 3.871 ( -0.691 -0.399 8.896) 8.932 3.931 ( 1.393 0.804 12.535) 12.638 4.270 ( -2.764 -1.596 -2.035) 3.785 4.360 ( 0.268 0.155 9.842) 9.847 4.542 ( -4.742 -2.738 -21.634) 22.316 4.571 ( -7.396 -4.270 -10.299) 13.380 4.708 ( -0.227 -0.131 -5.386) 5.393 4.747 ( -7.863 -4.540 -13.037) 15.887 4.870 ( 7.503 4.332 -16.818) 18.919 5.090 ( -0.584 -0.337 3.219) 3.289 5.199 ( 2.005 1.158 -11.313) 11.547 5.951 ( -1.881 -1.086 11.730) 11.929 5.977 ( -0.946 -0.546 8.511) 8.581 6.421 ( 2.847 1.644 -9.352) 9.913 6.439 ( 3.358 1.938 -2.071) 4.395 7.926 ( -6.795 -3.923 20.816) 22.246 8.545 ( -3.567 -2.059 38.372) 38.593 8.892 ( -11.342 -6.548 -19.129) 23.183 9.570 ( -2.464 -1.422 -2.644) 3.884 9.636 ( -7.212 -4.164 16.347) 18.345 9.680 ( -7.398 -4.271 -27.039) 28.356 9.701 ( -5.938 -3.429 25.434) 26.342 9.917 ( 1.033 0.596 6.555) 6.663 10.304 ( 4.235 2.445 -12.103) 13.054 10.428 ( 0.628 0.363 -4.169) 4.231 10.581 ( 3.265 1.885 8.959) 9.720 10.893 ( 6.715 3.877 -14.356) 16.316 11.193 ( 5.648 3.261 3.674) 7.486 11.338 ( 3.090 1.784 -16.851) 17.224 11.444 ( 18.533 10.700 -0.158) 21.400 11.680 ( -10.201 -5.890 -2.026) 11.952 12.828 ( -1.594 -0.920 19.357) 19.444 13.546 ( -7.699 -4.445 -11.671) 14.671 18.439 ( -0.062 -0.036 -0.530) 0.535 18.454 ( 0.212 0.122 -0.472) 0.531 18.485 ( 0.944 0.545 0.475) 1.189 18.531 ( 1.806 1.043 0.685) 2.195 18.606 ( 1.513 0.873 -5.579) 5.846 18.654 ( -1.088 -0.628 -3.262) 3.495 19.528 ( -0.391 -0.226 -0.611) 0.760 19.584 ( 0.721 0.416 -0.335) 0.898 19.584 ( 0.860 0.496 0.428) 1.081 19.711 ( 1.504 0.868 -3.713) 4.099 20.175 ( 3.278 1.892 4.862) 6.162 20.291 ( 0.439 0.254 -5.331) 5.355 40.134 ( -4.776 -2.758 -0.636) 5.552 40.398 ( -4.329 -2.499 4.395) 6.656 40.472 ( 2.084 1.203 5.026) 5.573 40.479 ( 0.290 0.167 -6.994) 7.002 40.656 ( 0.041 0.024 -5.879) 5.879 40.781 ( 3.484 2.012 2.558) 4.768 62.289 ( -2.621 -1.513 -0.343) 3.046 62.575 ( 3.419 1.974 -9.146) 9.962 62.914 ( 7.737 4.467 3.512) 9.600 63.021 ( 9.861 5.693 10.205) 15.290 65.835 ( -43.232 -24.960 66.453) 83.114 67.358 ( -32.163 -18.569 -14.668) 39.930 ======================= Grid point 187 (61/85) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 11.081 6.398 10.443) 16.516 1.576 ( 6.006 3.468 3.441) 7.742 2.117 ( 22.464 12.970 1.558) 25.986 2.552 ( 9.423 5.441 8.689) 13.925 2.648 ( 10.535 6.082 -12.035) 17.112 3.064 ( 4.999 2.886 19.939) 20.757 3.253 ( -1.054 -0.609 -11.496) 11.561 3.316 ( 9.487 5.477 18.478) 21.481 3.381 ( 6.466 3.733 -5.388) 9.207 3.866 ( -2.916 -1.683 10.599) 11.121 3.983 ( -3.352 -1.935 9.256) 10.033 4.137 ( -4.372 -2.524 -3.434) 6.106 4.287 ( -7.689 -4.439 -19.003) 20.975 4.379 ( -11.712 -6.762 -5.693) 14.673 4.390 ( -4.147 -2.394 -7.752) 9.112 4.450 ( -2.608 -1.506 3.438) 4.571 4.724 ( 1.817 1.049 -4.398) 4.873 4.942 ( 2.461 1.421 -13.574) 13.869 5.161 ( 5.922 3.419 1.789) 7.068 5.261 ( 4.782 2.761 -5.383) 7.711 5.924 ( -3.706 -2.140 11.519) 12.288 5.944 ( -3.819 -2.205 5.490) 7.042 6.454 ( 2.461 1.421 -7.888) 8.385 6.530 ( 4.085 2.358 0.633) 4.759 7.853 ( -5.361 -3.095 17.594) 18.651 8.561 ( -7.312 -4.221 42.523) 43.353 8.595 ( -6.977 -4.028 -20.387) 21.921 9.345 ( -9.001 -5.197 -25.765) 27.782 9.401 ( -13.308 -7.683 24.117) 28.597 9.562 ( 0.247 0.143 -5.990) 5.997 9.781 ( -0.336 -0.194 17.269) 17.273 10.025 ( 5.434 3.137 9.627) 11.492 10.351 ( 2.839 1.639 -10.172) 10.687 10.441 ( 1.221 0.705 -2.202) 2.615 10.645 ( 2.516 1.452 -0.749) 3.000 10.976 ( 3.736 2.157 -11.053) 11.865 11.314 ( 0.914 0.528 1.769) 2.060 11.362 ( -9.121 -5.266 -14.901) 18.247 11.481 ( 12.393 7.155 -11.024) 18.064 11.881 ( 14.666 8.468 5.898) 17.933 12.879 ( 0.637 0.368 16.800) 16.816 13.269 ( -11.626 -6.712 -12.802) 18.551 18.441 ( 0.142 0.082 1.003) 1.017 18.460 ( 0.378 0.218 -0.171) 0.468 18.511 ( 1.098 0.634 0.516) 1.369 18.583 ( 2.097 1.210 1.638) 2.923 18.599 ( -0.434 -0.251 -4.382) 4.411 18.613 ( -1.104 -0.637 -3.568) 3.788 19.522 ( -0.033 -0.019 0.286) 0.289 19.599 ( 0.519 0.300 0.206) 0.634 19.605 ( 0.766 0.442 -0.161) 0.899 19.706 ( -0.788 -0.455 -1.474) 1.732 20.269 ( 3.419 1.974 0.990) 4.070 20.287 ( 0.547 0.316 -3.556) 3.611 40.029 ( -3.576 -2.064 -0.211) 4.134 40.305 ( -4.084 -2.358 3.242) 5.722 40.469 ( 0.930 0.537 -6.495) 6.583 40.546 ( 1.941 1.120 6.070) 6.470 40.631 ( -0.392 -0.226 -5.680) 5.698 40.864 ( 2.919 1.685 0.660) 3.434 62.253 ( -0.636 -0.367 0.721) 1.029 62.641 ( 5.069 2.927 -9.093) 10.814 63.079 ( 4.599 2.655 6.258) 8.208 63.237 ( 1.609 0.929 21.035) 21.117 65.390 ( -11.517 -6.649 41.489) 43.568 66.432 ( -37.295 -21.532 -26.698) 50.669 ======================= Grid point 188 (62/85) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.154 -0.089 3.690) 3.694 1.803 ( 5.397 3.116 6.212) 8.799 2.538 ( -6.197 -3.578 6.282) 9.522 2.572 ( 11.378 6.569 6.173) 14.516 2.957 ( 10.342 5.971 -12.348) 17.178 3.082 ( 0.459 0.265 -4.713) 4.743 3.232 ( 1.059 0.612 -0.906) 1.523 3.411 ( 4.468 2.580 4.211) 6.660 3.719 ( -5.669 -3.273 -13.794) 15.268 3.768 ( -11.904 -6.873 5.438) 14.782 3.923 ( 14.617 8.439 15.797) 23.118 3.950 ( -10.089 -5.825 -5.935) 13.074 4.130 ( -4.107 -2.371 -4.318) 6.414 4.164 ( 2.847 1.644 7.268) 7.977 4.304 ( -1.155 -0.667 -4.287) 4.489 4.493 ( 1.685 0.973 5.185) 5.538 4.771 ( 2.405 1.389 2.256) 3.578 4.928 ( 0.916 0.529 -10.689) 10.741 5.320 ( 6.563 3.789 -3.482) 8.340 5.343 ( 2.940 1.697 -4.918) 5.976 5.850 ( -5.032 -2.905 2.822) 6.459 5.880 ( -3.361 -1.941 12.486) 13.076 6.471 ( 1.074 0.620 -5.598) 5.734 6.616 ( 2.451 1.415 1.029) 3.011 7.815 ( -2.492 -1.439 14.865) 15.141 8.404 ( -2.645 -1.527 -23.314) 23.514 8.531 ( -9.299 -5.369 46.815) 48.031 9.057 ( -6.946 -4.010 -20.043) 21.588 9.221 ( -8.148 -4.704 19.415) 21.575 9.567 ( 2.008 1.160 -5.982) 6.416 9.819 ( -1.140 -0.658 16.176) 16.230 10.196 ( 5.306 3.063 4.985) 7.898 10.357 ( 0.982 0.567 -8.308) 8.385 10.458 ( 0.551 0.318 -1.261) 1.412 10.732 ( 4.955 2.861 -1.085) 5.823 10.996 ( -10.088 -5.824 -28.353) 30.653 11.017 ( 3.596 2.076 -10.594) 11.378 11.398 ( 0.727 0.420 6.518) 6.572 11.773 ( 12.999 7.505 -1.334) 15.069 12.151 ( 4.828 2.788 9.560) 11.067 12.898 ( -15.122 -8.731 -14.200) 22.506 13.015 ( 6.888 3.977 9.658) 12.512 18.452 ( 0.303 0.175 1.871) 1.904 18.469 ( 0.418 0.241 -0.265) 0.550 18.542 ( 1.342 0.775 0.410) 1.602 18.560 ( -1.231 -0.711 -3.503) 3.780 18.579 ( -0.829 -0.478 -3.210) 3.349 18.639 ( 1.939 1.119 2.071) 3.050 19.532 ( 0.650 0.375 1.825) 1.973 19.608 ( 0.087 0.050 0.683) 0.690 19.618 ( 0.471 0.272 -0.927) 1.075 19.674 ( -1.378 -0.796 -0.627) 1.711 20.286 ( 0.152 0.088 -2.014) 2.021 20.340 ( 2.564 1.481 -1.378) 3.266 39.973 ( -1.073 -0.619 1.087) 1.648 40.239 ( -2.170 -1.253 2.163) 3.310 40.470 ( 0.830 0.479 -4.490) 4.591 40.593 ( -0.813 -0.469 -6.085) 6.157 40.605 ( 0.913 0.527 6.824) 6.904 40.920 ( 1.899 1.096 -2.258) 3.147 62.254 ( 0.157 0.091 1.098) 1.113 62.756 ( 6.880 3.972 -3.867) 8.836 63.176 ( 1.222 0.706 7.181) 7.318 63.228 ( -9.795 -5.655 31.070) 33.065 65.444 ( -34.906 -20.153 -33.035) 52.114 65.557 ( 14.672 8.471 15.809) 23.173 ======================= Grid point 189 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -8.434 -4.870 3.773) 10.445 1.845 ( -3.503 -2.022 0.988) 4.164 2.359 ( -10.365 -5.984 5.366) 13.116 2.624 ( -5.759 -3.325 3.402) 7.470 2.901 ( -12.143 -7.011 -8.804) 16.557 3.111 ( -3.134 -1.809 -1.986) 4.128 3.266 ( 0.109 0.063 4.826) 4.828 3.410 ( -12.507 -7.221 1.286) 14.499 3.518 ( 1.074 0.620 -9.333) 9.415 3.564 ( 6.492 3.748 -6.056) 9.636 3.844 ( -2.715 -1.568 6.775) 7.465 4.160 ( 5.902 3.408 1.693) 7.022 4.178 ( 0.747 0.431 -2.658) 2.794 4.287 ( 4.757 2.746 3.695) 6.620 4.453 ( 15.350 8.862 1.492) 17.787 4.561 ( 2.918 1.684 3.804) 5.082 4.850 ( 2.564 1.480 7.195) 7.780 4.918 ( 1.554 0.897 -9.910) 10.071 5.338 ( -1.718 -0.992 -6.240) 6.548 5.418 ( 3.179 1.835 -8.765) 9.503 5.746 ( -3.979 -2.298 2.569) 5.264 5.872 ( -1.371 -0.792 13.117) 13.212 6.464 ( -0.139 -0.080 -3.400) 3.404 6.644 ( -0.039 -0.023 -1.145) 1.146 7.876 ( 3.125 1.804 17.135) 17.511 8.253 ( -2.303 -1.329 -29.648) 29.767 8.469 ( -10.866 -6.274 48.583) 50.177 8.910 ( -0.338 -0.195 -7.411) 7.421 9.182 ( -0.090 -0.052 13.081) 13.082 9.613 ( 3.594 2.075 -4.579) 6.180 9.859 ( -1.038 -0.599 18.561) 18.600 10.264 ( 0.702 0.405 -7.465) 7.509 10.375 ( 2.719 1.570 -4.106) 5.169 10.443 ( -1.322 -0.763 -5.539) 5.746 10.688 ( -5.934 -3.426 -28.686) 29.493 10.842 ( 3.639 2.101 -0.539) 4.237 11.090 ( 5.547 3.202 -4.724) 7.958 11.404 ( -2.332 -1.347 6.545) 7.078 12.060 ( 9.230 5.329 6.858) 12.673 12.194 ( -3.638 -2.100 10.802) 11.590 12.456 ( -15.988 -9.231 -16.854) 24.997 13.257 ( 10.621 6.132 2.249) 12.469 18.467 ( 0.297 0.172 1.784) 1.816 18.475 ( 0.212 0.122 -0.879) 0.913 18.523 ( -0.776 -0.448 -2.652) 2.799 18.547 ( -0.954 -0.551 -2.569) 2.795 18.578 ( 1.578 0.911 0.298) 1.847 18.688 ( 1.551 0.896 1.654) 2.438 19.565 ( 1.154 0.666 2.867) 3.162 19.608 ( -0.417 -0.241 1.160) 1.256 19.625 ( 0.664 0.383 -0.969) 1.236 19.639 ( -1.337 -0.772 -0.599) 1.655 20.273 ( -0.863 -0.498 -1.470) 1.776 20.381 ( 1.583 0.914 -3.249) 3.728 39.990 ( 1.938 1.119 2.503) 3.357 40.219 ( -0.174 -0.100 1.355) 1.370 40.462 ( -0.841 -0.486 -2.179) 2.386 40.558 ( 0.138 0.080 -5.722) 5.724 40.642 ( -0.049 -0.028 7.043) 7.044 40.934 ( 0.533 0.308 -5.872) 5.904 62.261 ( 0.197 0.114 0.283) 0.363 62.956 ( 9.565 5.522 8.145) 13.723 63.057 ( -12.717 -7.342 27.779) 31.422 63.192 ( -2.781 -1.606 9.460) 9.990 64.557 ( -28.656 -16.544 -30.950) 45.308 66.113 ( 27.321 15.774 2.423) 31.641 ======================= Grid point 194 (64/85) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.000 9.319 14.242) 17.020 0.993 ( -0.000 20.213 19.289) 27.939 1.476 ( 0.000 9.354 -10.852) 14.327 1.520 ( 0.000 17.250 -12.419) 21.255 2.283 ( -0.000 10.070 74.054) 74.735 2.498 ( 0.000 3.439 -0.352) 3.457 2.806 ( -0.000 5.015 3.303) 6.005 3.416 ( 0.000 -2.135 -21.466) 21.572 3.703 ( -0.000 -7.087 2.265) 7.440 3.892 ( -0.000 1.038 10.470) 10.522 3.895 ( -0.000 2.653 9.948) 10.296 4.231 ( -0.000 -3.539 8.763) 9.451 4.413 ( -0.000 5.063 10.117) 11.314 4.611 ( 0.000 -1.308 -17.560) 17.609 4.659 ( 0.000 -2.782 -9.047) 9.465 4.673 ( 0.000 4.420 -20.749) 21.214 4.786 ( 0.000 -4.122 -14.620) 15.190 4.877 ( 0.000 -1.920 -8.742) 8.951 5.121 ( -0.000 -0.748 1.090) 1.322 5.192 ( 0.000 -1.604 -20.770) 20.832 5.910 ( -0.000 -1.813 11.960) 12.097 6.027 ( -0.000 5.182 10.516) 11.723 6.358 ( 0.000 0.721 -6.016) 6.059 6.380 ( 0.000 2.236 -7.348) 7.681 8.103 ( -0.000 -10.019 23.925) 25.939 8.599 ( -0.000 13.254 33.124) 35.677 9.158 ( 0.000 -17.721 -10.235) 20.464 9.530 ( -0.000 -12.973 2.530) 13.217 9.716 ( 0.000 4.385 -14.763) 15.401 9.872 ( -0.000 4.501 7.582) 8.817 9.875 ( 0.000 -7.191 -21.664) 22.827 10.098 ( 0.000 2.557 -6.180) 6.688 10.235 ( -0.000 5.878 7.747) 9.725 10.282 ( 0.000 -6.035 -1.664) 6.260 10.639 ( -0.000 -8.744 20.832) 22.593 10.656 ( 0.000 3.974 -11.352) 12.028 10.868 ( 0.000 5.970 -10.571) 12.141 11.041 ( 0.000 7.788 -0.134) 7.789 11.508 ( 0.000 9.089 -9.204) 12.935 11.886 ( -0.000 -7.923 1.548) 8.073 12.860 ( -0.000 -2.747 20.781) 20.961 13.686 ( 0.000 -4.138 -12.066) 12.756 18.442 ( 0.000 -0.257 -0.744) 0.787 18.459 ( 0.000 0.572 -0.599) 0.828 18.463 ( -0.000 0.440 0.239) 0.501 18.466 ( 0.000 0.366 -0.603) 0.705 18.554 ( 0.000 5.131 -3.786) 6.377 18.677 ( 0.000 -0.115 -3.693) 3.695 19.554 ( 0.000 0.167 -0.927) 0.941 19.563 ( -0.000 0.486 0.184) 0.520 19.579 ( -0.000 1.193 0.718) 1.392 19.610 ( 0.000 4.144 -3.264) 5.275 20.125 ( -0.000 0.861 8.587) 8.630 20.283 ( 0.000 0.123 -5.810) 5.811 40.278 ( -0.000 -2.532 1.453) 2.919 40.342 ( -0.000 -1.549 3.036) 3.408 40.450 ( 0.000 -4.320 -2.296) 4.893 40.605 ( 0.000 3.535 -3.977) 5.321 40.647 ( -0.000 -0.429 5.334) 5.351 40.667 ( 0.000 1.395 -3.572) 3.835 62.397 ( -0.000 -5.348 0.860) 5.417 62.560 ( 0.000 4.413 -9.129) 10.140 62.664 ( -0.000 8.817 5.953) 10.638 62.783 ( 0.000 11.340 0.590) 11.356 67.137 ( -0.000 -72.001 45.887) 85.380 67.995 ( 0.000 -22.016 -5.256) 22.635 ======================= Grid point 195 (65/85) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 15.386 10.563 11.725) 22.040 1.362 ( 8.837 20.441 18.778) 29.130 1.530 ( 1.161 14.053 -12.515) 18.854 1.861 ( 16.230 17.718 -8.718) 25.561 2.562 ( 1.442 4.311 4.322) 6.273 2.718 ( 8.965 9.939 52.851) 54.520 2.928 ( 3.874 5.534 10.852) 12.782 3.311 ( -1.479 -2.155 -13.940) 14.183 3.583 ( -5.141 -6.201 -0.947) 8.110 3.937 ( -0.854 0.406 11.686) 11.724 3.961 ( 0.399 1.463 12.352) 12.445 4.243 ( 0.880 -3.732 4.232) 5.710 4.437 ( -2.721 -0.008 4.649) 5.387 4.505 ( -2.830 -1.056 -20.417) 20.639 4.557 ( -2.775 -7.339 -7.900) 11.134 4.671 ( 0.166 -0.891 -14.464) 14.493 4.729 ( 3.975 3.244 -16.229) 17.020 4.787 ( -2.960 -0.989 -9.063) 9.585 5.111 ( -0.753 0.395 -0.213) 0.876 5.134 ( 1.923 1.274 -10.569) 10.818 5.944 ( 1.013 -3.322 10.819) 11.363 6.085 ( -2.573 2.650 7.837) 8.663 6.369 ( 2.100 2.534 -6.183) 7.004 6.396 ( 1.901 2.815 -5.944) 6.847 8.050 ( -4.165 -8.251 22.281) 24.122 8.778 ( -7.134 1.313 24.330) 25.389 8.927 ( -4.938 -3.266 -5.349) 7.979 9.418 ( 2.232 -14.343 1.901) 14.640 9.649 ( -6.419 -6.318 -19.144) 21.157 9.688 ( 2.657 -3.602 -4.227) 6.156 9.915 ( -3.463 5.660 4.308) 7.911 10.034 ( -8.654 1.170 11.530) 14.464 10.213 ( 2.131 -0.323 -6.403) 6.756 10.435 ( -0.583 -0.562 10.923) 10.953 10.553 ( 5.787 1.832 4.895) 7.798 10.736 ( 8.005 -2.185 -10.594) 13.457 10.990 ( 4.613 2.896 -5.576) 7.795 11.267 ( 13.498 12.490 -0.319) 18.393 11.530 ( -5.906 15.825 -8.676) 18.989 11.718 ( -5.630 -11.234 -8.386) 15.106 12.897 ( -0.616 -4.263 21.191) 21.625 13.553 ( -4.030 -5.557 -12.935) 14.644 18.440 ( 0.016 -0.186 0.879) 0.898 18.453 ( -0.135 0.266 -0.097) 0.314 18.478 ( 0.722 0.510 0.003) 0.884 18.500 ( 2.097 0.684 0.566) 2.277 18.586 ( 0.580 2.352 -4.608) 5.206 18.655 ( -0.794 0.453 -4.680) 4.769 19.543 ( -0.982 0.463 -0.069) 1.088 19.576 ( 0.535 0.635 0.630) 1.042 19.587 ( -0.059 1.280 -0.381) 1.337 19.668 ( 2.697 1.762 -4.214) 5.305 20.175 ( 1.236 1.664 5.559) 5.933 20.268 ( 0.353 0.291 -4.406) 4.430 40.196 ( -4.802 -2.925 1.753) 5.889 40.348 ( 1.410 -5.343 -1.615) 5.757 40.439 ( 3.235 -1.096 1.661) 3.798 40.552 ( -5.043 2.206 -1.705) 5.763 40.655 ( -0.509 1.211 -1.319) 1.861 40.738 ( 4.008 1.722 0.550) 4.397 62.328 ( -2.716 -2.004 1.892) 3.869 62.554 ( -0.665 5.093 -11.515) 12.609 62.885 ( 7.192 11.065 6.220) 14.589 62.962 ( 6.276 10.150 2.716) 12.239 66.335 ( -27.725 -54.670 59.991) 85.769 67.514 ( -18.376 -30.015 -15.253) 38.356 ======================= Grid point 196 (66/85) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 12.786 11.618 9.624) 19.776 1.660 ( -0.137 16.842 -1.466) 16.906 1.880 ( 19.499 14.946 8.239) 25.913 2.328 ( 19.613 14.103 -8.143) 25.492 2.649 ( -0.052 3.889 8.423) 9.277 3.068 ( 6.464 2.320 -3.997) 7.947 3.196 ( 10.436 6.384 29.903) 32.309 3.237 ( -0.175 0.783 2.849) 2.960 3.421 ( -5.295 -3.962 3.246) 7.367 3.943 ( -2.537 -2.051 11.452) 11.907 4.017 ( -0.031 -2.968 10.941) 11.337 4.173 ( -4.057 -3.393 -3.335) 6.253 4.300 ( -5.906 -2.839 -18.419) 19.550 4.380 ( -4.355 -5.658 -7.448) 10.318 4.445 ( -1.682 0.333 -2.466) 3.003 4.513 ( -7.069 -6.835 -8.240) 12.829 4.687 ( 1.685 0.344 -1.871) 2.541 4.853 ( 3.958 5.059 -14.959) 16.280 5.137 ( 2.088 3.456 1.756) 4.402 5.201 ( 4.396 4.148 -3.617) 7.044 5.944 ( -0.716 -4.806 9.760) 10.902 6.047 ( -4.594 -0.619 3.343) 5.715 6.419 ( 1.377 4.296 -5.561) 7.161 6.471 ( 4.752 2.103 -1.109) 5.314 7.969 ( -4.873 -6.919 20.233) 21.932 8.550 ( -6.969 -9.429 -14.697) 18.801 8.911 ( -10.662 7.072 29.539) 32.191 9.297 ( -0.159 -15.955 -0.990) 15.987 9.380 ( -7.099 -6.118 -12.231) 15.409 9.741 ( 3.728 -4.754 6.211) 8.665 9.874 ( -8.514 7.181 8.685) 14.123 10.004 ( -0.956 1.351 10.516) 10.646 10.248 ( 4.474 -1.327 -6.064) 7.652 10.444 ( 0.154 1.715 4.652) 4.961 10.616 ( 1.856 -2.008 1.359) 3.054 10.947 ( 6.152 9.062 -6.927) 12.960 11.064 ( 10.944 -2.239 -6.484) 12.916 11.371 ( -8.317 -9.211 -25.015) 27.924 11.599 ( -3.466 18.657 -4.432) 19.487 11.714 ( 16.015 8.945 5.024) 19.019 12.917 ( 0.032 -5.000 19.276) 19.914 13.326 ( -8.369 -7.088 -13.773) 17.606 18.445 ( 0.112 -0.125 2.185) 2.192 18.458 ( 0.161 0.457 0.345) 0.595 18.497 ( 1.086 0.336 -0.297) 1.175 18.550 ( 2.184 0.223 1.142) 2.475 18.588 ( 0.252 0.380 -3.918) 3.944 18.625 ( -1.482 0.997 -4.266) 4.625 19.534 ( -0.708 0.429 1.156) 1.422 19.595 ( 0.599 0.500 0.425) 0.888 19.600 ( 0.322 1.003 -0.353) 1.111 19.692 ( 0.825 -0.078 -3.354) 3.455 20.242 ( 2.332 1.921 1.686) 3.460 20.268 ( 0.671 0.583 -2.694) 2.837 40.088 ( -4.803 -2.168 2.415) 5.796 40.292 ( 0.315 -5.647 -2.931) 6.370 40.486 ( -2.572 1.906 -2.688) 4.180 40.510 ( 3.062 -0.874 2.388) 3.980 40.653 ( -1.373 2.067 0.845) 2.621 40.821 ( 3.503 1.529 -1.648) 4.162 62.290 ( -1.990 0.581 3.955) 4.465 62.567 ( 2.309 3.684 -12.456) 13.194 63.114 ( 2.521 11.816 5.906) 13.448 63.227 ( 9.086 6.076 9.927) 14.765 65.667 ( -18.593 -31.333 51.568) 63.140 66.667 ( -29.645 -30.828 -28.121) 51.186 ======================= Grid point 197 (67/85) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.873 13.396 0.923) 13.456 1.836 ( 3.108 12.737 6.081) 14.452 2.404 ( 18.750 10.476 8.053) 22.938 2.646 ( -2.048 2.386 -4.769) 5.712 2.761 ( 12.378 7.385 3.387) 14.806 3.070 ( -1.672 -3.554 -3.085) 4.994 3.210 ( -0.807 -1.436 -1.989) 2.583 3.348 ( 5.297 -0.241 -1.769) 5.590 3.633 ( 8.949 3.077 10.402) 14.062 3.891 ( -3.825 -4.625 12.623) 13.977 3.918 ( -3.778 -3.845 2.567) 5.970 4.007 ( -8.470 -6.295 -15.549) 18.792 4.171 ( -2.831 -1.652 3.026) 4.461 4.202 ( -4.485 -1.438 -1.176) 4.855 4.314 ( -2.809 -0.680 -2.896) 4.092 4.484 ( 1.561 -0.409 1.980) 2.554 4.749 ( 3.071 1.237 4.968) 5.970 4.873 ( 1.120 2.135 -13.398) 13.613 5.260 ( 4.667 5.843 -0.930) 7.536 5.312 ( 3.332 4.846 -3.198) 6.695 5.894 ( -2.997 -4.654 6.455) 8.503 5.958 ( -3.803 -2.876 3.472) 5.899 6.456 ( 0.287 3.119 -3.644) 4.804 6.572 ( 4.140 1.113 0.415) 4.307 7.897 ( -3.580 -5.322 17.952) 19.064 8.307 ( -2.919 -7.044 -20.485) 21.858 8.879 ( -11.738 2.132 31.352) 33.545 9.074 ( -6.377 -4.750 -8.027) 11.299 9.218 ( -0.910 -14.138 8.888) 16.724 9.706 ( -7.679 4.203 7.878) 11.777 9.893 ( 0.423 1.097 8.855) 8.933 10.072 ( 5.113 -1.722 1.180) 5.523 10.273 ( 2.622 -2.187 -6.575) 7.409 10.501 ( 0.253 4.522 3.969) 6.022 10.677 ( 5.429 0.813 1.896) 5.808 10.927 ( -6.377 -5.015 -27.217) 28.401 11.065 ( -4.308 6.266 -17.878) 19.428 11.305 ( 11.432 -1.084 2.999) 11.869 11.758 ( 2.031 16.730 -0.452) 16.859 12.075 ( 11.386 5.199 6.613) 14.156 12.962 ( 3.929 -3.695 13.434) 14.476 13.003 ( -12.651 -8.456 -14.353) 20.918 18.456 ( 0.228 -0.139 2.211) 2.227 18.469 ( 0.135 0.690 0.439) 0.829 18.521 ( 1.411 0.122 -0.356) 1.461 18.552 ( -0.279 -0.561 -4.198) 4.245 18.589 ( -1.350 0.592 -2.177) 2.629 18.620 ( 1.895 0.614 1.658) 2.591 19.538 ( 0.038 0.345 2.733) 2.755 19.606 ( 0.513 0.132 -1.463) 1.556 19.615 ( 0.020 0.688 1.269) 1.444 19.679 ( -0.502 -0.579 -2.274) 2.400 20.277 ( 0.503 0.566 -1.185) 1.406 20.306 ( 2.349 1.619 -1.336) 3.150 40.010 ( -3.034 -0.807 3.343) 4.586 40.232 ( 0.051 -4.274 -2.284) 4.846 40.463 ( -0.744 2.023 -3.481) 4.094 40.547 ( 1.771 -2.040 -0.493) 2.746 40.662 ( -1.403 2.550 5.160) 5.924 40.878 ( 2.557 0.993 -4.397) 5.182 62.290 ( -1.681 1.878 5.049) 5.643 62.626 ( 6.455 0.667 -8.337) 10.565 63.271 ( -0.856 11.093 5.857) 12.574 63.396 ( -1.113 -1.739 22.092) 22.189 65.464 ( 3.934 -10.407 27.359) 29.534 65.687 ( -32.145 -25.038 -35.136) 53.803 ======================= Grid point 198 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -10.446 8.053 2.833) 13.491 1.975 ( -4.579 11.100 0.471) 12.017 2.509 ( -9.851 -3.412 0.137) 10.426 2.691 ( -0.266 0.560 4.527) 4.570 2.972 ( 1.247 4.728 -2.015) 5.288 3.032 ( 4.962 -2.636 -3.159) 6.446 3.200 ( 3.683 -5.734 -0.260) 6.820 3.452 ( 5.899 0.550 -3.880) 7.083 3.562 ( -7.755 -0.688 -4.701) 9.094 3.582 ( -13.948 -8.976 -0.663) 16.600 3.884 ( -1.008 -0.817 -0.772) 1.509 4.082 ( 6.456 -0.700 1.972) 6.787 4.152 ( 2.762 1.868 4.944) 5.964 4.256 ( 6.049 3.083 5.637) 8.825 4.304 ( 3.428 1.233 1.267) 3.856 4.525 ( 3.052 -0.750 0.695) 3.219 4.843 ( 2.785 1.260 6.126) 6.846 4.864 ( 1.312 1.594 -9.107) 9.338 5.356 ( -0.762 3.066 -3.732) 4.890 5.385 ( 1.867 5.931 -6.868) 9.265 5.790 ( -4.109 -3.635 0.118) 5.487 5.913 ( -0.280 -3.645 9.873) 10.528 6.465 ( -0.699 1.584 -1.952) 2.609 6.627 ( 1.443 -0.320 -0.968) 1.767 7.893 ( 1.100 -2.865 17.774) 18.037 8.132 ( -0.621 -5.986 -23.055) 23.827 8.765 ( -8.082 -5.996 24.357) 26.354 8.973 ( -7.971 3.657 14.251) 16.733 9.129 ( 3.436 -10.331 7.095) 12.995 9.672 ( -4.061 6.501 2.417) 8.037 9.951 ( -0.421 0.414 15.821) 15.832 10.131 ( 7.033 -5.154 -9.454) 12.861 10.250 ( 0.680 -2.196 -7.773) 8.106 10.559 ( -2.543 6.924 2.018) 7.647 10.594 ( -4.112 -6.670 -36.204) 37.042 10.841 ( 4.948 4.914 5.909) 9.141 11.072 ( -0.695 9.235 -10.490) 13.993 11.432 ( 1.885 -0.411 5.223) 5.568 12.006 ( 7.613 11.614 4.568) 14.619 12.233 ( 1.133 -2.142 9.145) 9.460 12.593 ( -16.458 -9.059 -14.810) 23.923 13.110 ( 10.546 0.046 4.436) 11.441 18.464 ( 0.218 -0.133 0.574) 0.628 18.478 ( 0.029 0.527 0.047) 0.530 18.525 ( -0.638 0.156 -3.319) 3.383 18.539 ( 0.254 -0.469 -1.012) 1.144 18.572 ( 0.006 0.929 -0.235) 0.958 18.667 ( 2.020 -0.136 1.975) 2.828 19.563 ( 0.895 0.186 3.815) 3.923 19.607 ( 0.509 -0.361 -1.811) 1.915 19.622 ( -0.452 0.415 1.500) 1.621 19.653 ( -0.956 -0.250 -1.430) 1.739 20.281 ( -0.491 0.386 -0.523) 0.815 20.348 ( 1.735 1.037 -3.440) 3.990 39.994 ( -0.173 0.615 3.963) 4.014 40.197 ( 1.029 -2.768 -1.766) 3.440 40.464 ( -0.279 0.946 -1.628) 1.903 40.536 ( 0.156 -0.795 -3.151) 3.254 40.689 ( -1.094 1.775 7.581) 7.862 40.897 ( 1.201 0.267 -7.368) 7.470 62.295 ( -1.936 1.990 3.183) 4.223 62.758 ( 11.075 -3.755 3.156) 12.113 63.313 ( -10.310 -2.851 19.701) 22.417 63.363 ( -4.648 5.098 12.986) 14.704 64.795 ( -29.135 -14.849 -30.742) 44.882 65.761 ( 24.015 3.268 5.767) 24.913 ======================= Grid point 204 (69/85) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 14.776 11.319) 18.613 1.483 ( -0.000 11.409 9.598) 14.909 1.734 ( -0.000 21.826 3.279) 22.071 1.889 ( 0.000 25.379 -12.127) 28.127 2.629 ( -0.000 5.311 10.858) 12.087 2.808 ( -0.000 5.378 6.626) 8.534 3.102 ( -0.000 7.282 47.537) 48.092 3.265 ( 0.000 -1.694 -7.013) 7.214 3.559 ( 0.000 -5.413 -2.839) 6.112 3.943 ( -0.000 -5.782 9.401) 11.037 4.055 ( -0.000 3.963 12.499) 13.112 4.230 ( -0.000 -2.436 6.058) 6.530 4.431 ( 0.000 -5.003 -5.013) 7.083 4.448 ( 0.000 -3.935 -13.030) 13.611 4.496 ( 0.000 -2.878 -6.742) 7.330 4.584 ( 0.000 -2.512 -21.155) 21.303 4.669 ( 0.000 1.848 -10.662) 10.821 4.789 ( 0.000 2.957 -7.600) 8.155 5.084 ( 0.000 2.184 -7.373) 7.690 5.138 ( -0.000 2.270 0.889) 2.438 5.942 ( -0.000 -3.473 10.284) 10.855 6.152 ( -0.000 0.237 4.024) 4.030 6.347 ( 0.000 2.437 -5.174) 5.719 6.406 ( 0.000 5.612 -4.351) 7.101 8.076 ( -0.000 -9.163 21.018) 22.929 8.761 ( 0.000 -12.121 -15.587) 19.745 9.142 ( -0.000 14.359 32.439) 35.475 9.253 ( -0.000 -14.607 2.389) 14.801 9.543 ( 0.000 -5.928 -17.254) 18.243 9.603 ( 0.000 -5.156 -12.286) 13.324 10.001 ( -0.000 1.518 9.698) 9.816 10.097 ( 0.000 0.412 -11.317) 11.324 10.344 ( -0.000 7.099 11.977) 13.923 10.378 ( -0.000 3.447 5.115) 6.168 10.544 ( -0.000 -16.958 30.569) 34.957 10.547 ( 0.000 -1.444 -15.698) 15.764 11.081 ( 0.000 19.579 -11.273) 22.593 11.241 ( 0.000 9.450 0.495) 9.463 11.580 ( 0.000 -15.265 -17.631) 23.321 11.717 ( 0.000 16.869 -8.667) 18.965 12.925 ( -0.000 -7.015 21.804) 22.905 13.478 ( 0.000 -6.155 -13.649) 14.972 18.440 ( -0.000 -0.369 1.621) 1.663 18.460 ( -0.000 -0.004 0.698) 0.698 18.472 ( -0.000 0.756 0.436) 0.872 18.499 ( -0.000 1.505 1.395) 2.052 18.581 ( 0.000 0.660 -4.703) 4.749 18.656 ( 0.000 1.855 -5.364) 5.675 19.557 ( 0.000 0.584 -0.170) 0.608 19.584 ( -0.000 0.830 1.652) 1.849 19.609 ( -0.000 1.316 0.118) 1.321 19.636 ( 0.000 1.596 -4.994) 5.243 20.200 ( -0.000 1.643 4.069) 4.388 20.254 ( 0.000 0.479 -3.014) 3.052 40.209 ( -0.000 -5.089 0.425) 5.107 40.302 ( -0.000 -3.741 3.130) 4.878 40.378 ( 0.000 -0.288 -2.915) 2.929 40.641 ( -0.000 -2.147 1.164) 2.442 40.648 ( 0.000 3.223 -1.957) 3.771 40.714 ( 0.000 3.052 -0.018) 3.052 62.339 ( -0.000 -1.677 2.401) 2.928 62.583 ( 0.000 6.756 -15.547) 16.952 62.938 ( -0.000 11.272 4.451) 12.119 63.066 ( -0.000 15.438 4.710) 16.140 66.181 ( -0.000 -58.804 58.063) 82.639 67.257 ( 0.000 -37.837 -21.237) 43.389 ======================= Grid point 205 (70/85) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 12.638 14.114 10.629) 21.723 1.699 ( 9.082 11.201 -3.719) 14.893 1.978 ( -0.440 21.528 16.066) 26.866 2.203 ( 9.433 21.461 -11.420) 26.076 2.742 ( 0.373 4.906 16.513) 17.231 2.924 ( 7.342 3.516 -7.043) 10.765 3.215 ( -1.947 -1.398 1.663) 2.917 3.328 ( 0.064 2.981 18.181) 18.424 3.489 ( -2.363 -1.820 16.955) 17.216 3.906 ( 1.947 -8.737 2.305) 9.244 4.095 ( -4.237 -1.378 12.949) 13.694 4.189 ( -2.465 -2.998 -1.127) 4.041 4.289 ( -3.171 -3.374 -14.965) 15.665 4.364 ( -1.322 -6.240 -5.193) 8.225 4.447 ( -1.350 0.101 -13.171) 13.241 4.497 ( -2.060 -1.564 -4.351) 5.062 4.643 ( 2.102 -1.263 -2.445) 3.463 4.819 ( 1.206 6.167 -10.387) 12.140 5.134 ( 3.335 3.607 -0.845) 4.984 5.183 ( 1.307 4.659 0.702) 4.890 5.937 ( -0.130 -4.787 9.274) 10.437 6.110 ( -3.575 -1.869 -1.622) 4.347 6.400 ( 4.085 2.561 -2.193) 5.296 6.458 ( -0.168 6.046 -1.423) 6.214 8.034 ( -2.807 -8.453 20.094) 21.980 8.511 ( -6.318 -9.556 -20.957) 23.884 9.124 ( 0.117 -12.744 4.918) 13.660 9.299 ( -9.195 5.921 18.365) 21.375 9.425 ( -4.644 -1.612 -3.157) 5.843 9.539 ( 5.625 -3.177 -9.159) 11.208 10.042 ( -0.802 1.282 8.573) 8.705 10.070 ( 2.497 -2.761 -6.332) 7.345 10.267 ( -9.132 3.237 15.238) 18.057 10.457 ( 0.388 -1.824 -1.650) 2.490 10.544 ( 3.172 -8.951 13.986) 16.905 10.703 ( 16.521 4.432 2.126) 17.236 11.136 ( -6.794 12.027 -8.334) 16.132 11.280 ( -4.099 -9.685 -28.641) 30.511 11.541 ( 14.788 9.500 1.205) 17.618 11.838 ( -3.069 18.317 -5.998) 19.516 12.920 ( -0.064 -9.130 20.470) 22.413 13.320 ( -4.622 -6.568 -14.011) 16.150 18.447 ( 0.345 -0.387 2.047) 2.112 18.468 ( 0.025 0.339 2.493) 2.516 18.484 ( 0.348 0.595 -0.533) 0.871 18.531 ( 1.109 0.690 1.835) 2.253 18.567 ( 0.409 0.019 -4.403) 4.422 18.648 ( -1.092 1.936 -4.755) 5.249 19.558 ( -0.678 0.657 0.943) 1.334 19.595 ( -0.205 0.685 -0.787) 1.064 19.611 ( -0.093 1.086 1.074) 1.530 19.657 ( 1.635 0.360 -3.545) 3.921 20.238 ( 0.971 1.637 1.743) 2.581 20.257 ( 0.499 0.900 -1.364) 1.708 40.145 ( -1.809 -4.190 2.488) 5.198 40.230 ( -2.409 -3.153 -2.644) 4.769 40.430 ( 4.233 -0.533 0.755) 4.333 40.563 ( -4.085 0.076 -1.669) 4.414 40.700 ( 0.412 1.702 3.718) 4.110 40.767 ( 2.734 2.065 -2.947) 4.519 62.336 ( -0.184 -0.147 4.266) 4.272 62.563 ( -2.551 6.487 -16.386) 17.807 63.150 ( 9.133 8.530 2.946) 12.839 63.266 ( 0.494 16.777 5.868) 17.780 65.728 ( -10.118 -45.674 53.799) 71.294 66.615 ( -15.702 -36.640 -30.302) 50.072 ======================= Grid point 206 (71/85) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 12.408 14.012 9.688) 21.075 1.956 ( 5.157 16.329 -10.146) 19.904 2.293 ( 8.124 11.866 21.521) 25.884 2.514 ( 9.720 12.556 -16.590) 22.964 2.849 ( -1.268 4.084 18.475) 18.963 3.021 ( 2.274 -1.134 -8.564) 8.933 3.202 ( 3.084 -0.605 -0.612) 3.202 3.250 ( -4.122 -3.073 -6.418) 8.223 3.637 ( 2.982 2.112 27.713) 27.953 3.859 ( 2.193 -5.367 -7.199) 9.243 3.950 ( -6.100 -8.874 6.884) 12.781 4.049 ( -7.672 -5.841 -10.438) 14.211 4.211 ( -1.801 0.446 -1.806) 2.590 4.240 ( -2.881 -3.103 -4.247) 5.997 4.375 ( -3.525 -0.324 2.844) 4.541 4.441 ( 0.534 -1.006 -6.026) 6.132 4.723 ( 3.890 1.195 7.943) 8.925 4.844 ( 0.254 3.978 -12.133) 12.771 5.253 ( 3.980 5.710 2.746) 7.483 5.288 ( 3.989 5.910 -2.594) 7.588 5.907 ( -0.956 -5.739 9.168) 10.858 5.994 ( -4.757 -3.030 -5.277) 7.723 6.499 ( 1.062 3.557 -0.093) 3.713 6.502 ( 2.653 2.328 -0.667) 3.592 7.968 ( -3.501 -7.193 20.026) 21.565 8.226 ( -5.550 -7.247 -23.416) 25.133 9.023 ( -0.220 -11.864 6.793) 13.673 9.108 ( -9.696 -3.832 -6.911) 12.508 9.369 ( -11.389 5.833 25.833) 28.828 9.608 ( 9.898 -4.664 -13.403) 17.302 10.027 ( -5.976 1.890 7.950) 10.124 10.082 ( 1.966 -3.702 1.047) 4.320 10.225 ( -3.399 -0.340 17.630) 17.958 10.467 ( 4.560 -0.419 -16.878) 17.488 10.612 ( 4.185 -1.766 15.953) 16.587 10.882 ( -5.312 -5.548 -27.732) 28.776 11.074 ( 13.319 2.713 6.037) 14.873 11.186 ( -3.678 11.998 -12.478) 17.697 11.919 ( 14.564 7.759 2.652) 16.714 11.950 ( -2.691 16.863 -2.591) 17.271 12.899 ( 1.566 -10.033 16.286) 19.192 13.071 ( -9.605 -6.553 -13.695) 17.965 18.458 ( 0.310 -0.330 2.559) 2.599 18.479 ( -0.232 0.663 0.197) 0.730 18.498 ( 1.040 0.141 0.907) 1.387 18.536 ( 0.037 -0.022 -3.348) 3.348 18.590 ( 1.846 0.139 1.766) 2.558 18.623 ( -1.676 1.340 -3.339) 3.969 19.558 ( -0.589 0.444 2.623) 2.724 19.592 ( 0.253 0.219 -2.804) 2.824 19.630 ( 0.040 0.673 2.477) 2.567 19.664 ( 0.520 -0.183 -3.004) 3.054 20.273 ( 0.713 1.140 0.440) 1.415 20.283 ( 1.454 1.437 -0.872) 2.222 40.083 ( -3.445 -1.606 5.926) 7.041 40.158 ( 0.304 -3.570 -6.290) 7.239 40.489 ( 2.620 -0.915 0.497) 2.820 40.502 ( -2.257 0.816 -1.701) 2.941 40.734 ( -0.929 2.135 7.183) 7.551 40.817 ( 2.910 0.953 -6.210) 6.924 62.369 ( -0.029 1.279 9.931) 10.013 62.522 ( -0.082 3.372 -17.020) 17.351 63.398 ( 7.170 3.126 9.677) 12.443 63.442 ( -0.899 13.630 1.669) 13.761 65.384 ( -2.661 -28.380 38.054) 47.546 65.797 ( -23.817 -25.476 -33.662) 48.471 ======================= Grid point 207 (72/85) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -6.845 15.136 -1.567) 16.685 2.174 ( 2.402 14.745 5.838) 16.039 2.582 ( -3.174 0.003 -17.949) 18.228 2.637 ( 11.057 3.306 12.557) 17.055 2.909 ( -0.439 -0.964 -0.334) 1.110 2.976 ( 3.110 -5.124 6.327) 8.715 3.155 ( -2.689 3.099 1.182) 4.270 3.301 ( 7.462 -0.126 -9.714) 12.250 3.698 ( -5.637 1.784 7.282) 9.380 3.738 ( -13.996 -7.831 -3.373) 16.388 3.833 ( 2.404 -1.737 -10.493) 10.905 3.916 ( 8.111 -6.321 6.091) 11.952 4.177 ( -0.649 0.042 7.857) 7.884 4.209 ( 0.861 0.077 -2.682) 2.818 4.345 ( -2.612 1.254 6.097) 6.751 4.442 ( 3.331 -2.233 -4.370) 5.931 4.829 ( 0.491 2.545 -5.702) 6.264 4.838 ( 2.644 1.260 4.285) 5.190 5.388 ( 2.098 6.080 0.625) 6.462 5.398 ( 2.308 6.482 -4.327) 8.128 5.830 ( -5.327 -3.845 -2.259) 6.948 5.883 ( 0.428 -6.315 5.270) 8.236 6.510 ( -1.859 2.891 0.076) 3.438 6.578 ( 3.152 -0.426 -0.745) 3.267 7.926 ( -2.104 -4.826 17.305) 18.088 8.006 ( -1.699 -6.401 -18.510) 19.659 8.858 ( -7.155 -4.909 1.504) 8.807 8.972 ( 2.132 -10.868 1.491) 11.175 9.323 ( -11.674 6.622 27.954) 31.009 9.671 ( 8.379 -6.090 -13.600) 17.096 9.964 ( -4.357 3.027 0.962) 5.392 10.066 ( 0.131 -4.365 3.641) 5.685 10.242 ( -1.959 0.444 12.661) 12.819 10.408 ( 1.645 -5.992 -29.412) 30.061 10.692 ( -3.259 6.384 -1.896) 7.414 10.790 ( 6.471 2.257 3.982) 7.926 11.197 ( -4.047 12.096 -10.835) 16.736 11.350 ( 9.664 1.087 7.323) 12.174 12.072 ( 0.457 11.618 -0.055) 11.627 12.182 ( 6.521 0.570 5.539) 8.575 12.748 ( -14.234 -4.318 -11.460) 18.777 12.927 ( 7.824 -7.385 7.586) 13.165 18.466 ( -0.208 0.034 0.878) 0.903 18.476 ( 0.175 -0.171 -1.161) 1.186 18.524 ( 0.356 0.529 0.873) 1.081 18.530 ( 0.385 0.690 -1.997) 2.148 18.594 ( -1.484 0.919 -1.026) 2.025 18.631 ( 2.058 -0.852 1.678) 2.789 19.569 ( 0.148 0.120 3.710) 3.715 19.587 ( 0.358 -0.296 -2.927) 2.964 19.641 ( -0.370 0.381 1.960) 2.031 19.654 ( -0.145 -0.186 -1.943) 1.957 20.295 ( -0.093 1.203 1.025) 1.584 20.317 ( 1.522 0.969 -2.551) 3.124 40.041 ( -2.557 0.376 4.871) 5.514 40.122 ( 1.955 -3.400 -4.372) 5.873 40.482 ( -0.842 1.224 -0.575) 1.593 40.510 ( 0.972 -0.768 -0.831) 1.492 40.765 ( -1.462 2.213 8.115) 8.538 40.840 ( 2.056 0.027 -8.117) 8.374 62.393 ( -4.236 3.866 3.536) 6.738 62.551 ( 8.286 -3.008 -1.252) 8.903 63.483 ( -4.699 0.078 3.553) 5.892 63.498 ( -1.993 -0.391 9.803) 10.011 65.067 ( -25.225 -6.481 -23.458) 35.051 65.392 ( 15.946 -11.375 13.158) 23.597 ======================= Grid point 214 (73/85) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 12.830 9.405) 15.908 1.697 ( -0.000 7.525 1.971) 7.779 2.267 ( -0.000 17.928 16.370) 24.278 2.323 ( 0.000 24.840 -13.270) 28.162 2.850 ( -0.000 2.166 21.806) 21.913 2.859 ( 0.000 2.860 -9.162) 9.598 3.250 ( -0.000 2.007 3.683) 4.194 3.364 ( 0.000 0.091 -6.822) 6.823 3.611 ( -0.000 1.517 31.875) 31.911 3.774 ( -0.000 -11.711 -0.173) 11.713 4.149 ( -0.000 -9.515 6.346) 11.437 4.175 ( 0.000 -2.781 -5.045) 5.761 4.244 ( 0.000 -1.444 -9.478) 9.587 4.249 ( 0.000 -4.342 -8.544) 9.584 4.397 ( 0.000 0.322 -17.704) 17.707 4.574 ( 0.000 -1.834 -5.603) 5.896 4.580 ( -0.000 4.335 12.901) 13.609 4.832 ( 0.000 5.085 -9.793) 11.034 5.137 ( -0.000 4.315 1.372) 4.528 5.223 ( -0.000 4.168 1.551) 4.447 5.919 ( -0.000 -5.119 7.321) 8.933 6.113 ( 0.000 -2.709 -3.916) 4.762 6.378 ( 0.000 2.970 -1.881) 3.515 6.524 ( -0.000 5.695 0.702) 5.738 8.048 ( -0.000 -7.891 19.221) 20.778 8.391 ( 0.000 -8.682 -23.908) 25.436 9.027 ( -0.000 -10.457 7.673) 12.971 9.273 ( 0.000 -5.176 -18.702) 19.405 9.485 ( 0.000 -1.176 -2.330) 2.610 9.665 ( -0.000 12.518 25.689) 28.577 9.911 ( 0.000 -7.299 -17.085) 18.579 10.112 ( -0.000 -0.204 11.391) 11.393 10.385 ( 0.000 -1.369 -21.710) 21.753 10.431 ( -0.000 -3.394 5.790) 6.712 10.497 ( -0.000 -10.282 37.226) 38.620 10.617 ( -0.000 9.462 11.266) 14.713 11.084 ( 0.000 -12.075 -25.907) 28.582 11.400 ( 0.000 5.937 -1.461) 6.114 11.439 ( 0.000 20.799 -7.591) 22.140 12.026 ( 0.000 17.016 -6.107) 18.078 12.886 ( -0.000 -12.293 20.082) 23.546 13.248 ( 0.000 -5.228 -13.593) 14.564 18.445 ( -0.000 -0.178 1.524) 1.534 18.480 ( -0.000 -0.073 4.105) 4.106 18.492 ( -0.000 0.457 0.417) 0.619 18.536 ( -0.000 0.670 1.879) 1.995 18.545 ( 0.000 0.200 -4.574) 4.579 18.661 ( 0.000 2.027 -4.673) 5.094 19.572 ( 0.000 0.903 -0.281) 0.946 19.612 ( -0.000 0.529 1.179) 1.292 19.615 ( 0.000 0.152 -4.295) 4.298 19.636 ( -0.000 0.772 1.362) 1.566 20.251 ( -0.000 1.309 1.087) 1.701 20.262 ( -0.000 1.351 0.288) 1.381 40.096 ( 0.000 -4.402 -2.567) 5.096 40.257 ( -0.000 -3.047 3.942) 4.983 40.384 ( 0.000 1.794 -0.596) 1.890 40.594 ( -0.000 -2.456 -0.049) 2.457 40.693 ( 0.000 2.386 -3.189) 3.982 40.778 ( -0.000 2.297 3.192) 3.933 62.332 ( 0.000 -0.598 -0.685) 0.909 62.629 ( 0.000 9.154 -13.177) 16.045 63.143 ( 0.000 7.106 -0.062) 7.107 63.457 ( -0.000 16.157 1.995) 16.280 65.528 ( -0.000 -45.884 51.667) 69.101 66.266 ( 0.000 -32.580 -32.150) 45.772 ======================= Grid point 215 (74/85) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 12.549 8.401 6.071) 16.276 1.880 ( 10.677 7.597 -1.034) 13.145 2.465 ( -0.742 10.712 17.080) 20.175 2.535 ( 1.830 18.110 -11.674) 21.624 2.893 ( 3.217 1.954 -7.634) 8.511 2.949 ( 2.395 0.690 12.806) 13.046 3.235 ( -6.254 0.144 0.104) 6.256 3.308 ( -3.280 1.937 -0.021) 3.809 3.687 ( 2.790 -6.669 5.236) 8.926 3.751 ( 1.664 -0.681 17.288) 17.381 3.959 ( -5.095 -13.000 -0.782) 13.984 4.079 ( -4.720 -0.865 -12.607) 13.489 4.212 ( 0.180 -1.788 -5.404) 5.695 4.216 ( 0.083 -0.964 -2.950) 3.105 4.350 ( 1.095 -0.805 -8.843) 8.947 4.497 ( -4.477 0.989 -1.117) 4.719 4.713 ( 3.030 2.690 12.867) 13.490 4.845 ( 0.015 4.179 -10.285) 11.102 5.237 ( 4.300 5.155 3.193) 7.434 5.288 ( 2.077 4.204 1.088) 4.813 5.885 ( -0.337 -5.746 5.778) 8.156 6.026 ( -3.955 -2.684 -6.539) 8.099 6.437 ( 3.405 1.747 -0.055) 3.828 6.569 ( -1.045 4.042 0.776) 4.246 8.019 ( -2.129 -6.712 15.769) 17.270 8.175 ( -5.348 -5.933 -19.117) 20.719 8.945 ( -1.016 -8.619 5.883) 10.485 9.194 ( -1.095 -3.041 -13.170) 13.561 9.353 ( -3.213 -5.046 -13.648) 14.901 9.758 ( -10.330 6.132 12.030) 17.001 9.873 ( 9.831 -5.334 -4.508) 12.059 10.129 ( -1.771 -0.866 6.899) 7.175 10.298 ( 1.830 -2.555 -20.744) 20.981 10.445 ( -7.930 -2.801 28.898) 30.097 10.529 ( 8.504 -3.438 13.918) 16.669 10.821 ( 1.589 3.666 -9.646) 10.441 10.928 ( 6.056 -0.726 1.879) 6.383 11.362 ( -5.608 9.816 -6.605) 13.093 11.768 ( 12.363 12.477 -2.505) 17.742 12.143 ( -2.149 13.510 -5.211) 14.638 12.820 ( 0.302 -14.495 17.551) 22.765 13.110 ( -5.407 -2.638 -11.912) 13.345 18.455 ( 0.465 -0.109 1.828) 1.890 18.487 ( -0.429 0.015 -1.295) 1.364 18.499 ( 0.445 0.017 4.297) 4.320 18.530 ( -0.359 0.699 -2.215) 2.350 18.566 ( 1.458 0.009 1.349) 1.986 18.653 ( -1.201 1.728 -3.679) 4.239 19.578 ( -0.024 0.808 -1.790) 1.964 19.589 ( -0.923 0.182 -0.598) 1.115 19.633 ( 0.946 0.004 -0.373) 1.017 19.649 ( 0.125 0.150 1.215) 1.230 20.272 ( 0.745 0.910 0.242) 1.200 20.286 ( 0.332 1.747 1.672) 2.441 40.056 ( 1.110 -3.188 -3.144) 4.613 40.194 ( -4.451 -1.199 2.744) 5.364 40.437 ( 2.754 0.737 0.915) 2.994 40.543 ( -2.283 -0.965 -0.129) 2.482 40.732 ( 3.040 0.787 -4.410) 5.414 40.811 ( -0.638 1.992 5.167) 5.574 62.340 ( 2.594 -1.074 -1.425) 3.148 62.619 ( -6.309 8.852 -9.172) 14.223 63.299 ( 9.080 4.519 0.651) 10.163 63.570 ( -1.036 7.649 -7.981) 11.103 65.239 ( -2.142 -37.659 42.862) 57.096 65.779 ( -11.732 -15.465 -27.302) 33.499 ======================= Grid point 224 (75/85) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.000 2.006 1.183) 2.328 1.832 ( -0.000 3.725 1.808) 4.141 2.552 ( -0.000 -3.302 7.496) 8.191 2.656 ( 0.000 12.050 -8.926) 14.995 2.883 ( 0.000 6.459 -2.475) 6.917 2.991 ( -0.000 2.046 12.016) 12.188 3.305 ( 0.000 1.709 -10.539) 10.676 3.400 ( -0.000 5.431 8.558) 10.136 3.563 ( -0.000 -10.622 9.152) 14.021 3.778 ( -0.000 -12.422 7.621) 14.573 3.874 ( -0.000 -4.434 3.980) 5.958 4.106 ( 0.000 6.118 -11.983) 13.455 4.155 ( 0.000 -2.771 -8.310) 8.760 4.215 ( 0.000 3.472 -2.040) 4.027 4.304 ( 0.000 0.049 -6.584) 6.584 4.541 ( 0.000 1.413 -3.610) 3.876 4.775 ( -0.000 2.992 15.157) 15.449 4.848 ( 0.000 3.774 -9.680) 10.390 5.265 ( -0.000 5.171 5.797) 7.768 5.305 ( -0.000 1.966 2.570) 3.236 5.848 ( -0.000 -5.365 2.971) 6.132 6.006 ( 0.000 -2.697 -9.233) 9.618 6.428 ( -0.000 1.649 1.708) 2.374 6.616 ( -0.000 2.365 0.934) 2.543 7.998 ( 0.000 -3.775 -8.885) 9.654 8.154 ( -0.000 -4.575 9.700) 10.725 8.920 ( -0.000 -5.452 6.720) 8.654 9.002 ( 0.000 -5.058 -32.384) 32.776 9.472 ( 0.000 -14.737 -24.901) 28.935 9.508 ( -0.000 2.416 3.623) 4.355 9.997 ( 0.000 3.613 -6.197) 7.173 10.150 ( -0.000 1.796 6.323) 6.574 10.265 ( -0.000 1.484 2.516) 2.921 10.425 ( -0.000 -3.462 11.627) 12.131 10.591 ( -0.000 -6.998 33.010) 33.744 10.821 ( 0.000 2.753 -14.229) 14.493 10.889 ( -0.000 5.924 11.668) 13.085 11.457 ( 0.000 1.537 -4.011) 4.295 11.795 ( 0.000 17.759 -5.454) 18.578 12.249 ( 0.000 7.310 -7.355) 10.369 12.718 ( -0.000 -17.387 17.225) 24.475 13.121 ( 0.000 3.044 -8.746) 9.260 18.459 ( -0.000 0.220 1.732) 1.746 18.482 ( 0.000 -0.096 -2.630) 2.631 18.509 ( -0.000 -0.502 4.725) 4.752 18.547 ( 0.000 1.491 -0.707) 1.650 18.550 ( -0.000 -0.602 1.739) 1.840 18.670 ( 0.000 1.805 -3.307) 3.767 19.574 ( 0.000 0.953 -4.847) 4.939 19.604 ( -0.000 0.283 1.199) 1.232 19.619 ( 0.000 0.145 -0.835) 0.848 19.653 ( -0.000 -0.766 2.374) 2.495 20.273 ( -0.000 0.282 0.568) 0.634 20.313 ( -0.000 2.095 3.096) 3.738 40.008 ( 0.000 -1.389 -3.978) 4.214 40.234 ( -0.000 -1.703 2.436) 2.972 40.431 ( -0.000 1.915 1.805) 2.631 40.552 ( -0.000 -2.008 1.833) 2.719 40.688 ( 0.000 0.993 -6.916) 6.987 40.859 ( -0.000 1.508 7.096) 7.254 62.293 ( 0.000 -0.862 -4.323) 4.408 62.772 ( 0.000 11.515 -7.398) 13.687 63.227 ( 0.000 1.806 -2.730) 3.273 63.541 ( 0.000 -4.788 -21.692) 22.214 65.020 ( -0.000 -37.995 40.862) 55.798 65.738 ( 0.000 4.767 -15.966) 16.662 ======================= Grid point 275 (76/85) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -0.000 0.000 18.219) 18.219 0.757 ( -0.000 0.000 18.219) 18.219 1.297 ( 0.000 -0.000 -14.185) 14.185 1.297 ( 0.000 -0.000 -14.185) 14.185 2.471 ( -0.000 0.000 4.832) 4.832 2.479 ( -0.000 0.000 70.471) 70.471 2.788 ( -0.000 0.000 20.320) 20.320 3.365 ( 0.000 -0.000 -16.522) 16.522 3.791 ( 0.000 -0.000 -5.010) 5.010 3.911 ( -0.000 0.000 12.338) 12.338 3.911 ( -0.000 0.000 12.338) 12.338 4.348 ( -0.000 0.000 11.533) 11.533 4.348 ( -0.000 0.000 11.533) 11.533 4.552 ( 0.000 -0.000 -19.496) 19.496 4.552 ( 0.000 -0.000 -19.496) 19.496 4.649 ( 0.000 -0.000 -8.876) 8.876 4.822 ( 0.000 -0.000 -12.342) 12.342 4.822 ( 0.000 -0.000 -12.342) 12.342 5.124 ( 0.000 -0.000 -22.441) 22.441 5.128 ( 0.000 -0.000 -2.904) 2.904 5.989 ( -0.000 0.000 11.586) 11.586 5.989 ( -0.000 0.000 11.586) 11.586 6.328 ( 0.000 -0.000 -7.345) 7.345 6.328 ( 0.000 -0.000 -7.345) 7.345 8.452 ( -0.000 0.000 30.355) 30.355 8.452 ( -0.000 0.000 30.355) 30.355 9.430 ( 0.000 -0.000 -21.101) 21.101 9.430 ( 0.000 -0.000 -21.101) 21.101 9.770 ( -0.000 0.000 4.627) 4.627 9.770 ( -0.000 0.000 4.627) 4.627 9.960 ( 0.000 -0.000 -13.081) 13.081 9.960 ( 0.000 -0.000 -13.081) 13.081 10.158 ( -0.000 0.000 6.278) 6.278 10.427 ( 0.000 -0.000 -14.989) 14.989 10.604 ( -0.000 0.000 7.697) 7.697 10.604 ( -0.000 0.000 7.697) 7.697 10.889 ( 0.000 -0.000 -6.977) 6.977 10.889 ( 0.000 -0.000 -6.977) 6.977 11.464 ( -0.000 0.000 4.949) 4.949 11.973 ( 0.000 -0.000 -2.653) 2.653 12.970 ( -0.000 0.000 22.686) 22.686 13.679 ( 0.000 -0.000 -14.386) 14.386 18.448 ( 0.000 -0.000 -0.078) 0.078 18.448 ( 0.000 -0.000 -0.078) 0.078 18.449 ( -0.000 0.000 1.299) 1.299 18.473 ( 0.000 -0.000 -0.483) 0.483 18.473 ( 0.000 -0.000 -0.483) 0.483 18.663 ( 0.000 -0.000 -5.241) 5.241 19.555 ( 0.000 -0.000 -0.336) 0.336 19.555 ( 0.000 -0.000 -0.336) 0.336 19.562 ( -0.000 0.000 0.712) 0.712 19.562 ( -0.000 0.000 0.712) 0.712 20.150 ( -0.000 0.000 7.373) 7.373 20.261 ( 0.000 -0.000 -4.781) 4.781 40.342 ( -0.000 0.000 3.893) 3.893 40.342 ( -0.000 0.000 3.893) 3.893 40.526 ( 0.000 -0.000 -3.953) 3.953 40.526 ( 0.000 -0.000 -3.953) 3.953 40.633 ( 0.000 -0.000 -4.204) 4.204 40.666 ( -0.000 0.000 4.372) 4.372 62.526 ( -0.000 0.000 1.159) 1.159 62.526 ( -0.000 0.000 1.159) 1.159 62.575 ( 0.000 -0.000 -1.338) 1.338 62.575 ( 0.000 -0.000 -1.338) 1.338 68.053 ( -0.000 0.000 1.517) 1.517 68.225 ( 0.000 -0.000 -2.609) 2.609 ======================= Grid point 276 (77/85) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 16.584 9.575 16.160) 25.057 1.024 ( 11.384 6.572 15.712) 20.486 1.276 ( 5.483 3.165 -15.586) 16.823 1.522 ( 18.694 10.793 -11.825) 24.612 2.529 ( 2.282 1.317 9.779) 10.128 2.723 ( 6.668 3.850 15.814) 17.589 2.988 ( 2.507 1.448 62.528) 62.595 3.299 ( -1.448 -0.836 -8.466) 8.629 3.681 ( -6.108 -3.527 -6.322) 9.472 3.959 ( 0.255 0.147 13.866) 13.869 3.993 ( 1.660 0.958 14.566) 14.691 4.346 ( -2.759 -1.593 7.578) 8.220 4.417 ( 0.315 0.182 -5.131) 5.144 4.469 ( -2.238 -1.292 -5.846) 6.392 4.547 ( 6.467 3.734 -17.270) 18.815 4.615 ( 1.126 0.650 -13.314) 13.377 4.659 ( -6.119 -3.533 -14.524) 16.152 4.793 ( -2.098 -1.211 -11.894) 12.139 5.063 ( 1.745 1.007 -12.805) 12.962 5.105 ( -0.499 -0.288 -3.892) 3.935 6.041 ( 1.006 0.581 10.035) 10.102 6.053 ( 0.304 0.176 10.893) 10.899 6.300 ( 0.923 0.533 -9.261) 9.322 6.333 ( 2.555 1.475 -6.426) 7.071 8.316 ( -9.851 -5.687 28.244) 30.448 8.785 ( 5.935 3.427 32.825) 33.533 9.032 ( -13.318 -7.689 -23.648) 28.209 9.596 ( 8.877 5.125 -18.221) 20.906 9.644 ( -4.875 -2.815 0.328) 5.639 9.719 ( -9.133 -5.273 -15.313) 18.593 9.828 ( -1.054 -0.609 8.196) 8.286 10.045 ( 2.694 1.555 -2.098) 3.752 10.281 ( -0.791 -0.456 6.351) 6.416 10.366 ( 0.479 0.277 -8.339) 8.358 10.480 ( 5.873 3.391 7.445) 10.071 10.731 ( -3.533 -2.040 -9.801) 10.616 10.985 ( 15.764 9.101 3.836) 18.603 11.058 ( 9.890 5.710 -3.146) 11.845 11.373 ( -8.473 -4.892 5.545) 11.245 11.852 ( -7.750 -4.474 -11.517) 14.585 13.034 ( -1.785 -1.031 23.016) 23.108 13.579 ( -3.636 -2.099 -15.596) 16.151 18.448 ( 0.024 0.014 -0.111) 0.115 18.449 ( -0.097 -0.056 2.351) 2.354 18.469 ( 0.818 0.472 1.288) 1.597 18.493 ( 1.423 0.821 -0.130) 1.648 18.508 ( 2.864 1.654 -3.193) 4.597 18.636 ( -0.409 -0.236 -6.308) 6.326 19.541 ( -0.543 -0.313 0.568) 0.846 19.566 ( 0.658 0.380 0.227) 0.793 19.567 ( 0.547 0.316 -0.134) 0.646 19.614 ( 3.163 1.826 -2.073) 4.200 20.179 ( 0.507 0.293 5.344) 5.376 20.248 ( 0.278 0.160 -3.536) 3.550 40.265 ( -4.848 -2.799 3.553) 6.631 40.428 ( 2.810 1.622 5.252) 6.173 40.446 ( -1.920 -1.108 -5.686) 6.103 40.517 ( -2.128 -1.229 -2.152) 3.267 40.630 ( 0.199 0.115 -1.297) 1.317 40.708 ( 2.795 1.614 0.095) 3.229 62.388 ( -5.089 -2.938 1.206) 5.998 62.487 ( -0.802 -0.463 -4.584) 4.677 62.723 ( 9.452 5.457 3.092) 11.344 62.784 ( 10.910 6.299 0.102) 12.598 67.431 ( -45.664 -26.364 29.930) 60.631 67.932 ( -22.520 -13.002 -10.424) 28.015 ======================= Grid point 277 (78/85) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 12.252 7.074 11.674) 18.342 1.377 ( 9.336 5.390 -6.717) 12.701 1.585 ( 23.389 13.504 7.828) 28.119 2.000 ( 23.225 13.409 -11.128) 29.035 2.633 ( 2.302 1.329 12.444) 12.725 2.946 ( 10.245 5.915 -6.367) 13.435 3.244 ( -1.564 -0.903 0.554) 1.889 3.274 ( 2.172 1.254 39.943) 40.022 3.522 ( -5.214 -3.010 12.112) 13.526 4.004 ( -1.116 -0.644 11.197) 11.271 4.092 ( 1.416 0.817 15.929) 16.012 4.248 ( -6.345 -3.664 -0.657) 7.357 4.274 ( -4.960 -2.864 -23.667) 24.350 4.440 ( -1.403 -0.810 -3.646) 3.990 4.446 ( -6.309 -3.642 -11.402) 13.531 4.581 ( -3.039 -1.755 -7.821) 8.572 4.680 ( 7.936 4.582 -16.491) 18.866 4.683 ( -1.210 -0.698 -0.742) 1.581 5.096 ( 1.244 0.718 -2.012) 2.472 5.119 ( 4.641 2.679 -2.539) 5.930 6.056 ( -2.489 -1.437 4.629) 5.449 6.072 ( -1.997 -1.153 9.353) 9.633 6.321 ( 3.444 1.988 -7.303) 8.316 6.410 ( 5.132 2.963 -2.726) 6.523 8.194 ( -8.990 -5.190 25.689) 27.707 8.644 ( -11.036 -6.372 -24.479) 27.597 8.956 ( -1.737 -1.003 33.134) 33.195 9.420 ( -10.348 -5.974 -15.237) 19.363 9.554 ( -2.591 -1.496 -2.921) 4.182 9.749 ( 8.879 5.126 -14.146) 17.470 9.809 ( -4.698 -2.712 12.882) 13.977 10.062 ( -2.375 -1.371 15.796) 16.032 10.245 ( 0.105 0.061 1.223) 1.229 10.381 ( 2.090 1.207 -3.040) 3.881 10.654 ( -0.167 -0.096 -6.869) 6.871 10.788 ( 10.492 6.057 8.608) 14.861 11.212 ( -1.807 -1.043 -3.396) 3.986 11.217 ( 6.791 3.921 -0.346) 7.850 11.368 ( 4.331 2.500 -17.849) 18.536 11.615 ( 1.543 0.891 -4.006) 4.385 13.062 ( -2.787 -1.609 21.324) 21.565 13.387 ( -7.387 -4.265 -16.531) 18.602 18.451 ( 0.225 0.130 -0.071) 0.270 18.459 ( -0.093 -0.054 3.908) 3.909 18.491 ( 0.864 0.499 0.229) 1.024 18.544 ( 2.325 1.343 2.357) 3.573 18.548 ( 1.494 0.863 -4.755) 5.058 18.599 ( -0.610 -0.352 -6.261) 6.300 19.536 ( -0.257 -0.149 1.875) 1.898 19.584 ( 0.807 0.466 -0.430) 1.027 19.586 ( 0.808 0.466 0.706) 1.169 19.666 ( 1.899 1.096 -4.176) 4.717 20.219 ( 1.656 0.956 2.434) 3.095 20.248 ( 0.690 0.398 -2.309) 2.443 40.152 ( -5.326 -3.075 3.634) 7.143 40.404 ( 0.116 0.067 -5.553) 5.555 40.407 ( -4.077 -2.354 -2.639) 5.397 40.539 ( 2.804 1.619 6.641) 7.388 40.622 ( -0.596 -0.344 -0.541) 0.876 40.779 ( 3.274 1.890 -2.691) 4.641 62.310 ( -2.323 -1.341 3.722) 4.588 62.488 ( 2.545 1.470 -5.985) 6.668 62.949 ( 8.316 4.801 2.306) 9.875 63.096 ( 13.871 8.008 3.510) 16.397 66.481 ( -42.514 -24.545 48.186) 68.788 67.123 ( -37.388 -21.586 -27.116) 50.982 ======================= Grid point 278 (79/85) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 8.112 4.684 -5.604) 10.916 1.666 ( 9.358 5.403 6.379) 12.548 2.183 ( 22.468 12.972 10.061) 27.827 2.462 ( 17.169 9.913 -16.666) 25.900 2.718 ( 1.519 0.877 14.762) 14.866 3.076 ( 0.768 0.444 -13.233) 13.263 3.242 ( 0.111 0.064 8.514) 8.515 3.311 ( 2.888 1.667 -6.358) 7.180 3.646 ( 2.627 1.517 26.546) 26.718 3.953 ( -3.025 -1.746 -15.754) 16.136 4.039 ( -7.467 -4.311 7.184) 11.223 4.074 ( -7.674 -4.431 1.899) 9.063 4.190 ( 0.419 0.242 9.248) 9.261 4.286 ( -7.844 -4.529 -9.521) 13.141 4.311 ( -2.199 -1.269 -4.349) 5.036 4.513 ( -0.805 -0.465 5.452) 5.531 4.737 ( 3.138 1.811 5.957) 6.972 4.761 ( 4.207 2.429 -17.283) 17.953 5.163 ( 4.596 2.653 -1.842) 5.617 5.230 ( 4.558 2.632 -0.718) 5.312 5.972 ( -4.624 -2.669 -1.127) 5.457 6.041 ( -3.092 -1.785 8.654) 9.361 6.384 ( 3.057 1.765 -3.561) 5.014 6.532 ( 4.883 2.819 -0.322) 5.647 8.080 ( -7.852 -4.534 20.843) 22.730 8.342 ( -6.687 -3.861 -22.294) 23.594 8.991 ( -4.649 -2.684 31.489) 31.944 9.128 ( -9.171 -5.295 -12.190) 16.147 9.504 ( -0.383 -0.221 -4.365) 4.388 9.681 ( -11.438 -6.604 23.566) 27.014 9.890 ( 6.169 3.562 -7.758) 10.532 10.100 ( 0.603 0.348 13.983) 14.001 10.260 ( 1.128 0.651 -6.196) 6.331 10.425 ( 1.768 1.021 -0.092) 2.043 10.686 ( 3.534 2.041 3.690) 5.502 10.885 ( -0.842 -0.486 1.006) 1.399 11.002 ( -12.712 -7.339 -41.199) 43.736 11.374 ( 4.346 2.509 3.188) 5.945 11.406 ( 15.643 9.031 -1.898) 18.162 11.954 ( 15.082 8.707 6.529) 18.599 13.073 ( -2.035 -1.175 16.914) 17.077 13.100 ( -11.356 -6.556 -17.131) 21.573 18.457 ( 0.296 0.171 -0.522) 0.624 18.472 ( -0.106 -0.061 3.803) 3.805 18.516 ( 1.107 0.639 0.386) 1.335 18.541 ( -0.279 -0.161 -5.766) 5.775 18.569 ( -0.233 -0.135 -3.744) 3.754 18.611 ( 2.164 1.249 3.634) 4.410 19.545 ( 0.222 0.128 3.461) 3.470 19.599 ( 0.556 0.321 -0.627) 0.898 19.607 ( 0.591 0.341 1.023) 1.229 19.673 ( 0.143 0.083 -3.824) 3.828 20.261 ( 0.837 0.483 -1.219) 1.556 20.271 ( 2.207 1.274 -0.698) 2.642 40.054 ( -3.842 -2.218 3.968) 5.952 40.303 ( -3.367 -1.944 -3.055) 4.945 40.404 ( 1.336 0.771 -4.095) 4.376 40.596 ( -1.360 -0.785 -1.085) 1.909 40.626 ( 2.042 1.179 7.363) 7.732 40.836 ( 2.563 1.480 -5.030) 5.836 62.292 ( -0.887 -0.512 5.142) 5.243 62.572 ( 6.059 3.498 -2.085) 7.301 63.128 ( 5.634 3.253 2.656) 7.027 63.414 ( 9.201 5.312 9.733) 14.409 65.855 ( -22.700 -13.106 39.584) 47.476 66.052 ( -39.479 -22.793 -40.199) 60.778 ======================= Grid point 285 (80/85) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.000 6.782 15.741) 17.140 1.196 ( -0.000 20.156 15.625) 25.502 1.345 ( 0.000 12.219 -11.456) 16.749 1.362 ( 0.000 18.446 -15.137) 23.861 2.581 ( -0.000 3.584 13.810) 14.267 2.725 ( -0.000 3.764 1.196) 3.949 3.238 ( -0.000 1.269 60.899) 60.912 3.282 ( 0.000 -1.484 -0.814) 1.693 3.666 ( 0.000 -5.666 -0.963) 5.747 4.035 ( -0.000 2.363 15.529) 15.708 4.037 ( -0.000 0.038 13.472) 13.472 4.349 ( -0.000 -4.362 10.536) 11.403 4.397 ( 0.000 -0.784 -18.252) 18.268 4.434 ( 0.000 2.882 -19.883) 20.091 4.519 ( 0.000 -0.708 -23.280) 23.291 4.540 ( -0.000 4.242 11.050) 11.836 4.608 ( 0.000 -6.979 -14.580) 16.165 4.762 ( 0.000 -0.290 -11.633) 11.636 5.015 ( 0.000 1.703 -6.550) 6.768 5.095 ( 0.000 1.041 -5.431) 5.530 6.041 ( -0.000 -2.055 11.287) 11.473 6.135 ( -0.000 3.440 8.576) 9.240 6.276 ( 0.000 1.605 -8.358) 8.511 6.293 ( 0.000 2.490 -8.011) 8.389 8.405 ( -0.000 -13.113 28.396) 31.278 8.956 ( 0.000 -13.797 -24.196) 27.854 8.968 ( -0.000 14.109 31.870) 34.854 9.468 ( 0.000 5.975 -26.200) 26.873 9.556 ( -0.000 -13.625 2.428) 13.840 9.702 ( 0.000 -8.062 -8.611) 11.796 9.970 ( -0.000 6.431 7.216) 9.666 10.014 ( 0.000 3.894 -7.697) 8.626 10.278 ( -0.000 5.524 1.299) 5.675 10.293 ( -0.000 -1.286 1.747) 2.169 10.572 ( 0.000 -2.152 -2.443) 3.256 10.738 ( 0.000 5.522 -11.412) 12.678 10.863 ( -0.000 3.207 16.876) 17.178 11.044 ( 0.000 9.974 0.344) 9.980 11.476 ( -0.000 -0.205 5.556) 5.560 11.791 ( 0.000 -10.530 -17.818) 20.697 13.116 ( -0.000 -3.244 23.411) 23.634 13.520 ( 0.000 -3.445 -17.242) 17.582 18.453 ( -0.000 -0.140 1.351) 1.358 18.460 ( -0.000 0.633 0.704) 0.947 18.461 ( -0.000 0.299 0.084) 0.310 18.480 ( -0.000 0.733 3.760) 3.830 18.516 ( 0.000 3.358 -3.062) 4.544 18.613 ( 0.000 0.118 -7.248) 7.249 19.550 ( -0.000 0.106 0.291) 0.310 19.570 ( -0.000 0.957 1.246) 1.571 19.582 ( 0.000 1.749 -2.124) 2.751 19.582 ( 0.000 1.162 -0.290) 1.198 20.196 ( -0.000 0.425 3.846) 3.869 20.236 ( 0.000 0.245 -2.495) 2.507 40.310 ( -0.000 -3.720 3.828) 5.338 40.390 ( -0.000 -2.298 5.359) 5.831 40.403 ( 0.000 -3.718 -5.162) 6.361 40.561 ( 0.000 3.788 -3.939) 5.465 40.652 ( -0.000 2.763 0.813) 2.880 40.674 ( 0.000 -0.790 -0.883) 1.184 62.411 ( -0.000 -4.646 1.555) 4.899 62.475 ( 0.000 -0.424 -5.951) 5.966 62.722 ( -0.000 10.657 3.952) 11.366 62.783 ( 0.000 12.538 -0.486) 12.548 67.525 ( -0.000 -47.932 26.116) 54.585 67.893 ( 0.000 -27.469 -12.799) 30.304 ======================= Grid point 286 (81/85) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 14.477 9.020 13.887) 21.995 1.372 ( 1.733 15.051 -14.125) 20.713 1.570 ( 6.356 23.512 16.267) 29.289 1.736 ( 17.390 18.147 -13.043) 28.316 2.692 ( 0.677 5.093 15.118) 15.968 2.818 ( 6.490 4.146 -6.266) 9.929 3.265 ( -0.885 -2.010 6.307) 6.679 3.369 ( -1.773 -1.207 4.682) 5.150 3.648 ( -1.874 -3.596 39.498) 39.706 4.035 ( -1.089 -3.828 -5.877) 7.097 4.126 ( 0.586 1.362 16.917) 16.982 4.277 ( -4.275 0.877 -12.670) 13.401 4.295 ( -3.543 -5.851 3.676) 7.765 4.403 ( -1.247 -2.381 -19.270) 19.457 4.457 ( -2.707 -3.650 -5.954) 7.490 4.486 ( 4.801 0.037 -12.570) 13.455 4.627 ( 1.932 3.637 2.297) 4.716 4.697 ( -1.656 0.231 -7.253) 7.443 5.064 ( 3.676 2.772 -0.060) 4.605 5.095 ( 0.077 3.069 -3.589) 4.723 6.062 ( 0.422 -3.621 9.671) 10.335 6.134 ( -3.204 -0.918 -0.862) 3.443 6.309 ( 1.351 6.027 -1.880) 6.457 6.336 ( 4.168 3.313 -4.797) 7.167 8.333 ( -4.576 -11.234 26.770) 29.390 8.637 ( -8.385 -10.640 -25.527) 28.899 9.189 ( -4.660 9.598 29.022) 30.921 9.431 ( 0.861 -11.474 -2.729) 11.826 9.478 ( -1.016 -5.971 -9.955) 11.653 9.540 ( 2.606 -0.592 -15.236) 15.469 9.998 ( -5.176 6.286 7.495) 11.067 10.068 ( 4.977 0.399 -4.402) 6.657 10.249 ( -2.366 -0.560 11.814) 12.062 10.404 ( 0.071 2.006 -13.145) 13.297 10.641 ( 14.277 3.074 7.467) 16.403 10.703 ( -5.957 9.173 -1.453) 11.033 11.033 ( 3.154 -7.738 17.574) 19.460 11.233 ( 7.675 8.177 -9.010) 14.386 11.465 ( -5.394 11.848 -1.769) 13.137 11.545 ( -1.492 -10.132 -16.956) 19.809 13.146 ( -1.321 -5.046 21.948) 22.560 13.377 ( -3.945 -4.675 -18.156) 19.158 18.456 ( -0.103 0.317 1.018) 1.071 18.468 ( 0.647 -0.021 -0.631) 0.904 18.478 ( 0.237 0.266 4.148) 4.163 18.521 ( 1.428 1.107 2.071) 2.748 18.537 ( 0.904 1.624 -2.889) 3.435 18.588 ( -0.474 1.216 -6.592) 6.720 19.552 ( -0.364 0.393 1.582) 1.670 19.573 ( 0.096 0.661 -1.727) 1.852 19.593 ( 0.215 1.419 2.204) 2.630 19.625 ( 2.121 1.206 -3.299) 4.104 20.218 ( 0.586 0.890 2.148) 2.398 20.236 ( 0.425 0.571 -1.609) 1.760 40.238 ( -4.935 -3.029 5.350) 7.883 40.304 ( 0.016 -5.615 -5.506) 7.864 40.471 ( 5.248 -2.204 4.002) 6.958 40.520 ( -5.228 2.789 -3.921) 7.105 40.671 ( -1.051 2.670 3.569) 4.579 40.718 ( 3.720 1.078 -3.738) 5.383 62.366 ( -1.952 -0.950 4.844) 5.309 62.440 ( 0.068 0.683 -8.330) 8.359 62.945 ( 6.334 12.576 3.992) 14.636 62.972 ( 7.888 11.260 -0.754) 13.769 66.895 ( -23.776 -45.410 40.451) 65.296 67.275 ( -22.195 -35.663 -27.046) 49.960 ======================= Grid point 287 (82/85) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 4.502 16.430 -8.583) 19.076 1.619 ( 11.141 11.511 6.292) 17.211 2.035 ( 14.046 18.483 14.502) 27.372 2.185 ( 18.746 13.257 -15.228) 27.551 2.802 ( -0.885 5.446 14.213) 15.246 2.953 ( 7.172 2.680 -15.983) 17.722 3.264 ( -0.312 -2.611 9.197) 9.565 3.275 ( -1.848 -2.028 -7.058) 7.573 3.754 ( -1.635 -1.943 32.195) 32.295 3.879 ( -2.191 -3.303 -30.152) 30.412 4.138 ( -6.344 -6.147 8.057) 11.956 4.162 ( -4.530 -5.311 4.865) 8.508 4.221 ( -0.074 -0.815 9.414) 9.449 4.266 ( -1.419 -2.516 -13.568) 13.872 4.377 ( -5.032 0.911 0.069) 5.114 4.490 ( 2.329 -4.530 -1.526) 5.318 4.697 ( 0.763 5.594 -10.931) 12.303 4.720 ( 3.782 1.785 6.728) 7.922 5.143 ( 1.759 5.146 -0.978) 5.525 5.180 ( 4.698 3.572 -0.024) 5.902 6.020 ( -4.536 -2.472 -2.129) 5.587 6.061 ( -0.403 -4.727 4.398) 6.469 6.385 ( 0.454 5.813 -0.281) 5.837 6.458 ( 5.973 2.725 -0.925) 6.630 8.223 ( -6.983 -8.655 19.895) 22.792 8.306 ( -5.765 -8.672 -19.561) 22.161 9.179 ( -9.576 -4.164 1.471) 10.545 9.237 ( -6.253 -2.312 9.989) 12.010 9.399 ( -0.888 -5.481 8.427) 10.092 9.639 ( 12.606 -2.342 -19.432) 23.281 9.971 ( -8.603 5.398 8.413) 13.188 10.138 ( 3.194 -1.416 -0.648) 3.553 10.265 ( -2.369 0.911 16.175) 16.373 10.399 ( 4.188 1.266 -9.867) 10.794 10.714 ( -3.835 7.127 5.412) 9.737 10.935 ( -1.816 -8.504 -32.252) 33.404 10.964 ( -2.899 -2.076 17.183) 17.549 11.085 ( 8.624 -2.306 -5.233) 10.347 11.561 ( -1.472 18.542 -2.441) 18.760 11.773 ( 17.067 7.927 5.458) 19.594 13.134 ( -1.751 -6.276 18.193) 19.325 13.144 ( -8.251 -5.970 -18.224) 20.876 18.460 ( -0.344 0.660 0.004) 0.745 18.479 ( 0.704 -0.425 0.612) 1.025 18.503 ( 0.603 0.136 3.858) 3.907 18.520 ( -0.019 -0.035 -5.479) 5.479 18.574 ( -0.729 1.807 -3.791) 4.262 18.594 ( 2.418 0.732 3.919) 4.663 19.559 ( -0.166 0.504 2.697) 2.748 19.581 ( 0.919 -0.090 -1.358) 1.642 19.619 ( -0.064 1.345 2.527) 2.863 19.649 ( 1.077 0.377 -3.916) 4.079 20.250 ( 0.834 1.015 -0.427) 1.381 20.252 ( 1.184 1.237 -0.233) 1.728 40.134 ( -5.462 -1.707 4.576) 7.328 40.241 ( 1.502 -6.111 -4.761) 7.891 40.452 ( -3.633 3.075 -2.891) 5.568 40.537 ( 3.293 -3.008 2.446) 5.087 40.696 ( -1.525 3.785 5.157) 6.576 40.776 ( 3.309 0.873 -5.311) 6.318 62.354 ( -2.819 2.173 4.842) 6.009 62.465 ( 5.847 -0.574 -2.996) 6.595 63.157 ( 2.293 13.081 1.673) 13.386 63.292 ( 13.472 8.331 1.562) 15.916 66.202 ( -23.079 -33.190 42.306) 58.515 66.271 ( -32.628 -32.387 -41.665) 62.044 ======================= Grid point 295 (83/85) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.000 12.848 14.013) 19.011 1.477 ( 0.000 11.943 -7.170) 13.930 1.732 ( 0.000 26.266 -14.758) 30.129 1.854 ( -0.000 25.923 13.968) 29.447 2.767 ( 0.000 2.973 -8.730) 9.223 2.817 ( -0.000 7.666 17.000) 18.648 3.277 ( -0.000 -2.642 8.592) 8.989 3.348 ( 0.000 -1.730 -12.363) 12.484 3.790 ( -0.000 -4.037 43.825) 44.011 3.925 ( 0.000 -6.497 -23.905) 24.772 4.202 ( -0.000 1.972 7.178) 7.444 4.259 ( 0.000 -5.897 -2.799) 6.527 4.302 ( 0.000 -1.310 -21.230) 21.271 4.322 ( 0.000 -3.469 -4.808) 5.929 4.350 ( -0.000 -4.366 1.681) 4.678 4.521 ( -0.000 5.586 9.255) 10.810 4.605 ( 0.000 -2.744 -3.297) 4.290 4.706 ( 0.000 3.486 -5.711) 6.691 5.062 ( -0.000 3.129 2.359) 3.918 5.125 ( 0.000 4.779 -2.195) 5.259 6.047 ( -0.000 -4.406 6.708) 8.026 6.152 ( 0.000 -2.250 -4.069) 4.650 6.293 ( 0.000 4.274 -2.812) 5.116 6.386 ( -0.000 7.406 0.861) 7.456 8.343 ( -0.000 -12.401 24.180) 27.175 8.506 ( 0.000 -11.074 -25.065) 27.403 9.286 ( 0.000 -2.673 -24.570) 24.715 9.303 ( -0.000 -13.125 6.588) 14.685 9.494 ( -0.000 13.426 26.742) 29.923 9.537 ( 0.000 -4.331 -0.953) 4.434 9.951 ( 0.000 -1.868 -11.955) 12.100 10.130 ( -0.000 2.865 6.623) 7.217 10.323 ( 0.000 -0.377 -13.388) 13.393 10.372 ( 0.000 3.729 -1.231) 3.926 10.522 ( -0.000 2.872 10.937) 11.308 10.955 ( 0.000 18.023 -12.514) 21.941 10.979 ( -0.000 -11.942 39.167) 40.947 11.246 ( -0.000 7.994 0.773) 8.031 11.320 ( 0.000 -15.233 -22.272) 26.983 11.634 ( 0.000 15.502 -5.493) 16.446 13.172 ( -0.000 -7.879 21.026) 22.454 13.294 ( 0.000 -4.763 -18.784) 19.378 18.451 ( -0.000 -0.047 0.138) 0.145 18.482 ( -0.000 0.704 0.988) 1.214 18.496 ( -0.000 0.607 4.580) 4.620 18.521 ( 0.000 0.356 -5.690) 5.701 18.530 ( -0.000 0.732 4.685) 4.742 18.591 ( 0.000 2.653 -5.523) 6.127 19.557 ( 0.000 0.371 -0.631) 0.732 19.589 ( 0.000 0.970 -2.626) 2.799 19.596 ( 0.000 0.955 -0.639) 1.149 19.621 ( -0.000 1.665 3.234) 3.637 20.230 ( -0.000 1.011 1.529) 1.833 20.235 ( 0.000 1.022 -0.901) 1.362 40.198 ( 0.000 -6.256 -3.119) 6.991 40.355 ( -0.000 -4.347 5.579) 7.072 40.362 ( -0.000 0.341 1.249) 1.294 40.612 ( 0.000 3.764 -5.373) 6.561 40.633 ( 0.000 -1.606 -1.786) 2.402 40.735 ( -0.000 3.221 3.990) 5.128 62.353 ( 0.000 -1.978 -1.583) 2.534 62.463 ( 0.000 3.694 -3.963) 5.418 62.962 ( 0.000 10.076 0.252) 10.079 63.106 ( -0.000 17.459 1.662) 17.538 66.738 ( -0.000 -50.901 41.058) 65.397 66.944 ( 0.000 -43.414 -34.022) 55.156 ======================= Grid point 367 (84/85) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.000 0.000 16.201) 16.201 0.951 ( -0.000 0.000 16.201) 16.201 1.129 ( 0.000 -0.000 -15.299) 15.299 1.129 ( 0.000 -0.000 -15.299) 15.299 2.594 ( -0.000 0.000 12.807) 12.807 2.680 ( 0.000 -0.000 -1.972) 1.972 3.313 ( -0.000 0.000 7.956) 7.956 3.403 ( -0.000 0.000 20.558) 20.558 3.794 ( -0.000 0.000 36.337) 36.337 4.085 ( -0.000 0.000 18.022) 18.022 4.085 ( -0.000 0.000 18.022) 18.022 4.304 ( 0.000 -0.000 -19.580) 19.580 4.304 ( 0.000 -0.000 -19.580) 19.580 4.390 ( 0.000 -0.000 -42.725) 42.725 4.516 ( -0.000 0.000 13.316) 13.316 4.516 ( -0.000 0.000 13.316) 13.316 4.674 ( 0.000 -0.000 -13.814) 13.814 4.674 ( 0.000 -0.000 -13.814) 13.814 4.981 ( -0.000 0.000 0.545) 0.545 5.056 ( 0.000 -0.000 -8.667) 8.667 6.115 ( -0.000 0.000 10.751) 10.751 6.115 ( -0.000 0.000 10.751) 10.751 6.231 ( 0.000 -0.000 -9.607) 9.607 6.231 ( 0.000 -0.000 -9.607) 9.607 8.802 ( -0.000 0.000 30.891) 30.891 8.802 ( -0.000 0.000 30.891) 30.891 9.142 ( 0.000 -0.000 -28.603) 28.603 9.142 ( 0.000 -0.000 -28.603) 28.603 9.815 ( -0.000 0.000 3.387) 3.387 9.815 ( -0.000 0.000 3.387) 3.387 9.860 ( 0.000 -0.000 -5.389) 5.389 9.860 ( 0.000 -0.000 -5.389) 5.389 10.213 ( -0.000 0.000 4.475) 4.475 10.286 ( 0.000 -0.000 -9.316) 9.316 10.698 ( -0.000 0.000 8.749) 8.749 10.698 ( -0.000 0.000 8.749) 8.749 10.799 ( 0.000 -0.000 -8.682) 8.682 10.799 ( 0.000 -0.000 -8.682) 8.682 11.603 ( -0.000 0.000 18.676) 18.676 11.838 ( 0.000 -0.000 -19.358) 19.358 13.238 ( -0.000 0.000 23.624) 23.624 13.487 ( 0.000 -0.000 -19.687) 19.687 18.453 ( -0.000 0.000 0.787) 0.787 18.453 ( -0.000 0.000 0.787) 0.787 18.464 ( 0.000 -0.000 -1.030) 1.030 18.464 ( 0.000 -0.000 -1.030) 1.030 18.496 ( -0.000 0.000 6.598) 6.598 18.584 ( 0.000 -0.000 -8.148) 8.148 19.557 ( -0.000 0.000 0.550) 0.550 19.557 ( -0.000 0.000 0.550) 0.550 19.563 ( 0.000 -0.000 -0.399) 0.399 19.563 ( 0.000 -0.000 -0.399) 0.399 20.205 ( -0.000 0.000 2.638) 2.638 20.225 ( 0.000 -0.000 -1.825) 1.825 40.399 ( -0.000 0.000 5.895) 5.895 40.399 ( -0.000 0.000 5.895) 5.895 40.468 ( 0.000 -0.000 -5.917) 5.917 40.468 ( 0.000 -0.000 -5.917) 5.917 40.629 ( -0.000 0.000 2.863) 2.863 40.670 ( 0.000 -0.000 -2.848) 2.848 62.541 ( -0.000 0.000 1.484) 1.484 62.541 ( -0.000 -0.000 1.484) 1.484 62.558 ( 0.000 0.000 -1.554) 1.554 62.558 ( 0.000 -0.000 -1.554) 1.554 68.098 ( -0.000 0.000 5.903) 5.903 68.172 ( 0.000 -0.000 -6.341) 6.341 ======================= Grid point 368 (85/85) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 5.282 3.050 -16.293) 17.398 1.184 ( 16.404 9.471 16.022) 24.810 1.187 ( 9.954 5.747 13.008) 17.358 1.379 ( 19.739 11.397 -13.264) 26.371 2.669 ( 2.349 1.356 10.430) 10.777 2.718 ( 4.529 2.615 -7.348) 9.018 3.336 ( -1.455 -0.840 13.310) 13.416 3.382 ( -2.085 -1.204 -11.469) 11.719 3.901 ( -4.904 -2.831 49.350) 49.674 4.048 ( -4.910 -2.835 -24.471) 25.119 4.186 ( 1.563 0.903 18.950) 19.036 4.205 ( -0.135 -0.078 -7.894) 7.895 4.311 ( 3.688 2.129 -18.689) 19.168 4.337 ( 4.477 2.585 -11.524) 12.631 4.471 ( -2.825 -1.631 10.132) 10.644 4.502 ( -5.858 -3.382 -13.474) 15.077 4.618 ( 0.627 0.362 12.363) 12.384 4.670 ( 0.495 0.286 -10.493) 10.508 5.026 ( 2.743 1.583 4.394) 5.417 5.036 ( 0.975 0.563 -6.702) 6.796 6.137 ( -1.970 -1.138 2.005) 3.032 6.165 ( -0.532 -0.307 7.510) 7.535 6.202 ( 2.555 1.475 -3.025) 4.226 6.256 ( 4.593 2.652 -5.790) 7.851 8.645 ( -11.048 -6.379 28.747) 31.451 8.732 ( -12.564 -7.254 -28.082) 31.608 9.144 ( 6.078 3.509 30.124) 30.931 9.316 ( 11.853 6.843 -28.598) 31.704 9.600 ( -11.153 -6.439 -6.104) 14.252 9.652 ( -6.230 -3.597 1.443) 7.337 9.922 ( 0.590 0.341 7.961) 7.990 10.027 ( 6.687 3.861 -2.193) 8.027 10.298 ( 2.842 1.641 -3.392) 4.720 10.308 ( 2.909 1.679 -0.711) 3.433 10.560 ( -3.216 -1.857 4.713) 6.000 10.656 ( 2.314 1.336 -1.035) 2.865 10.995 ( 9.357 5.402 -6.634) 12.678 11.033 ( 14.091 8.135 2.192) 16.417 11.542 ( -10.785 -6.227 22.082) 25.352 11.645 ( -8.085 -4.668 -21.180) 23.146 13.295 ( -2.384 -1.377 22.114) 22.285 13.371 ( -3.254 -1.879 -20.885) 21.220 18.451 ( -0.103 -0.060 0.538) 0.551 18.471 ( 0.591 0.341 -0.944) 1.165 18.478 ( 1.576 0.910 -2.175) 2.836 18.483 ( 1.361 0.786 2.771) 3.186 18.528 ( 0.781 0.451 6.695) 6.756 18.552 ( -0.101 -0.058 -7.806) 7.807 19.553 ( -0.161 -0.093 0.772) 0.794 19.564 ( 0.632 0.365 0.183) 0.752 19.573 ( 0.749 0.432 0.884) 1.237 19.591 ( 1.814 1.048 -1.990) 2.890 20.216 ( 0.298 0.172 1.776) 1.809 20.222 ( 0.308 0.178 -1.570) 1.610 40.317 ( -5.403 -3.119 4.682) 7.800 40.386 ( -1.599 -0.923 -4.276) 4.657 40.454 ( -1.926 -1.112 -4.533) 5.049 40.507 ( 3.489 2.014 4.551) 6.078 40.644 ( -0.239 -0.138 3.089) 3.101 40.683 ( 2.343 1.353 -3.657) 4.549 62.412 ( -4.186 -2.417 2.617) 5.497 62.447 ( -1.890 -1.091 -2.185) 3.088 62.746 ( 9.022 5.209 0.226) 10.421 62.779 ( 12.064 6.965 -0.308) 13.934 67.707 ( -31.783 -18.350 19.997) 41.794 67.771 ( -29.516 -17.041 -17.888) 38.491 =================== 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 3/48114 10.0 30.671 30.671 24.564 0.000 -0.000 -0.000 3/48114 20.0 12.890 12.890 8.594 0.000 -0.000 -0.000 3/48114 30.0 6.895 6.895 4.791 0.000 -0.000 -0.000 3/48114 40.0 4.431 4.431 3.451 0.000 -0.000 -0.000 3/48114 50.0 3.211 3.211 2.792 0.000 -0.000 -0.000 3/48114 60.0 2.509 2.509 2.389 0.000 -0.000 -0.000 3/48114 70.0 2.061 2.061 2.115 0.000 -0.000 -0.000 3/48114 80.0 1.752 1.752 1.916 0.000 -0.000 -0.000 3/48114 90.0 1.527 1.527 1.766 0.000 -0.000 -0.000 3/48114 100.0 1.358 1.358 1.648 0.000 -0.000 -0.000 3/48114 110.0 1.225 1.225 1.552 0.000 -0.000 -0.000 3/48114 120.0 1.119 1.119 1.471 0.000 -0.000 -0.000 3/48114 130.0 1.032 1.032 1.400 0.000 -0.000 -0.000 3/48114 140.0 0.958 0.958 1.338 0.000 -0.000 -0.000 3/48114 150.0 0.896 0.896 1.281 0.000 -0.000 -0.000 3/48114 160.0 0.842 0.842 1.230 0.000 -0.000 -0.000 3/48114 170.0 0.795 0.795 1.182 0.000 -0.000 -0.000 3/48114 180.0 0.753 0.753 1.138 0.000 -0.000 -0.000 3/48114 190.0 0.715 0.715 1.097 0.000 -0.000 -0.000 3/48114 200.0 0.682 0.682 1.058 0.000 -0.000 -0.000 3/48114 210.0 0.651 0.651 1.022 0.000 -0.000 -0.000 3/48114 220.0 0.623 0.623 0.988 0.000 -0.000 -0.000 3/48114 230.0 0.598 0.598 0.957 0.000 -0.000 -0.000 3/48114 240.0 0.575 0.575 0.927 0.000 -0.000 -0.000 3/48114 250.0 0.553 0.553 0.899 0.000 -0.000 -0.000 3/48114 260.0 0.533 0.533 0.873 0.000 -0.000 -0.000 3/48114 270.0 0.515 0.515 0.848 0.000 -0.000 -0.000 3/48114 280.0 0.498 0.498 0.825 0.000 -0.000 -0.000 3/48114 290.0 0.482 0.482 0.804 0.000 -0.000 -0.000 3/48114 300.0 0.467 0.467 0.783 0.000 -0.000 -0.000 3/48114 310.0 0.453 0.453 0.765 0.000 -0.000 -0.000 3/48114 320.0 0.441 0.441 0.747 0.000 -0.000 -0.000 3/48114 330.0 0.429 0.429 0.731 0.000 -0.000 -0.000 3/48114 340.0 0.417 0.417 0.715 0.000 -0.000 -0.000 3/48114 350.0 0.407 0.407 0.701 0.000 -0.000 -0.000 3/48114 360.0 0.397 0.397 0.688 0.000 -0.000 -0.000 3/48114 370.0 0.388 0.388 0.676 0.000 -0.000 -0.000 3/48114 380.0 0.379 0.379 0.665 0.000 -0.000 -0.000 3/48114 390.0 0.371 0.371 0.654 0.000 -0.000 -0.000 3/48114 400.0 0.363 0.363 0.645 0.000 -0.000 -0.000 3/48114 410.0 0.356 0.356 0.636 0.000 -0.000 -0.000 3/48114 420.0 0.349 0.349 0.628 0.000 -0.000 -0.000 3/48114 430.0 0.343 0.343 0.620 0.000 -0.000 -0.000 3/48114 440.0 0.337 0.337 0.614 0.000 -0.000 -0.000 3/48114 450.0 0.331 0.331 0.607 0.000 -0.000 -0.000 3/48114 460.0 0.326 0.326 0.602 0.000 -0.000 -0.000 3/48114 470.0 0.321 0.321 0.596 0.000 -0.000 -0.000 3/48114 480.0 0.317 0.317 0.592 0.000 -0.000 -0.000 3/48114 490.0 0.312 0.312 0.587 0.000 -0.000 -0.000 3/48114 500.0 0.308 0.308 0.584 0.000 -0.000 -0.000 3/48114 510.0 0.304 0.304 0.580 0.000 -0.000 -0.000 3/48114 520.0 0.300 0.300 0.577 0.000 -0.000 -0.000 3/48114 530.0 0.297 0.297 0.574 0.000 -0.000 -0.000 3/48114 540.0 0.294 0.294 0.571 0.000 -0.000 -0.000 3/48114 550.0 0.290 0.290 0.569 0.000 -0.000 -0.000 3/48114 560.0 0.287 0.287 0.566 0.000 -0.000 -0.000 3/48114 570.0 0.285 0.285 0.564 0.000 -0.000 -0.000 3/48114 580.0 0.282 0.282 0.563 0.000 -0.000 -0.000 3/48114 590.0 0.279 0.279 0.561 0.000 -0.000 -0.000 3/48114 600.0 0.277 0.277 0.559 0.000 -0.000 -0.000 3/48114 610.0 0.275 0.275 0.558 0.000 -0.000 -0.000 3/48114 620.0 0.272 0.272 0.557 0.000 -0.000 -0.000 3/48114 630.0 0.270 0.270 0.556 0.000 -0.000 -0.000 3/48114 640.0 0.268 0.268 0.554 0.000 -0.000 -0.000 3/48114 650.0 0.266 0.266 0.553 0.000 -0.000 -0.000 3/48114 660.0 0.264 0.264 0.552 0.000 -0.000 -0.000 3/48114 670.0 0.262 0.262 0.551 0.000 -0.000 -0.000 3/48114 680.0 0.261 0.261 0.551 0.000 -0.000 -0.000 3/48114 690.0 0.259 0.259 0.550 0.000 -0.000 -0.000 3/48114 700.0 0.257 0.257 0.549 0.000 -0.000 -0.000 3/48114 710.0 0.256 0.256 0.548 0.000 -0.000 -0.000 3/48114 720.0 0.254 0.254 0.547 0.000 -0.000 -0.000 3/48114 730.0 0.253 0.253 0.546 0.000 -0.000 -0.000 3/48114 740.0 0.251 0.251 0.546 0.000 -0.000 -0.000 3/48114 750.0 0.250 0.250 0.545 0.000 -0.000 -0.000 3/48114 760.0 0.248 0.248 0.544 0.000 -0.000 -0.000 3/48114 770.0 0.247 0.247 0.543 0.000 -0.000 -0.000 3/48114 780.0 0.245 0.245 0.542 0.000 -0.000 -0.000 3/48114 790.0 0.244 0.244 0.542 0.000 -0.000 -0.000 3/48114 800.0 0.243 0.243 0.541 0.000 -0.000 -0.000 3/48114 810.0 0.242 0.242 0.540 0.000 -0.000 -0.000 3/48114 820.0 0.240 0.240 0.539 0.000 -0.000 -0.000 3/48114 830.0 0.239 0.239 0.538 0.000 -0.000 -0.000 3/48114 840.0 0.238 0.238 0.537 0.000 -0.000 -0.000 3/48114 850.0 0.237 0.237 0.536 0.000 -0.000 -0.000 3/48114 860.0 0.235 0.235 0.535 0.000 -0.000 -0.000 3/48114 870.0 0.234 0.234 0.534 0.000 -0.000 -0.000 3/48114 880.0 0.233 0.233 0.533 0.000 -0.000 -0.000 3/48114 890.0 0.232 0.232 0.532 0.000 -0.000 -0.000 3/48114 900.0 0.231 0.231 0.531 0.000 -0.000 -0.000 3/48114 910.0 0.230 0.230 0.530 0.000 -0.000 -0.000 3/48114 920.0 0.229 0.229 0.529 0.000 -0.000 -0.000 3/48114 930.0 0.227 0.227 0.528 0.000 -0.000 -0.000 3/48114 940.0 0.226 0.226 0.526 0.000 -0.000 -0.000 3/48114 950.0 0.225 0.225 0.525 0.000 -0.000 -0.000 3/48114 960.0 0.224 0.224 0.524 0.000 -0.000 -0.000 3/48114 970.0 0.223 0.223 0.523 0.000 -0.000 -0.000 3/48114 980.0 0.222 0.222 0.521 0.000 -0.000 -0.000 3/48114 990.0 0.221 0.221 0.520 0.000 -0.000 -0.000 3/48114 1000.0 0.220 0.220 0.519 0.000 -0.000 -0.000 3/48114 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:14:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|