----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:01:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.763479039891633 2.172845636770944 5.993637876666659 b -3.763479039891625 2.172845636770944 5.993637876666659 c 0.000000000000004 -4.345691273541895 5.993637876666659 Atomic positions (fractional): *1 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 2 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 3 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 *4 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 *5 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 6 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 *8 O 0.68451910591299 0.06860341995567 0.06860341995567 15.999 9 O 0.31548089408701 0.93139658004433 0.93139658004433 15.999 *10 O 0.68960912979868 0.68960912979868 0.05279370802391 15.999 11 O 0.68960912979868 0.05279370802390 0.68960912979868 15.999 12 O 0.06860341995567 0.68451910591299 0.06860341995567 15.999 13 O 0.06860341995567 0.06860341995567 0.68451910591298 15.999 14 O 0.05279370802391 0.68960912979868 0.68960912979868 15.999 15 O 0.31039087020132 0.94720629197610 0.31039087020132 15.999 16 O 0.93139658004433 0.93139658004433 0.31548089408701 15.999 17 O 0.31039087020132 0.31039087020132 0.94720629197609 15.999 18 O 0.93139658004433 0.31548089408702 0.93139658004433 15.999 19 O 0.94720629197609 0.31039087020132 0.31039087020132 15.999 *20 F 0.62456534655454 0.62456534655454 0.62456534655454 18.998 21 F 0.37543465344546 0.37543465344546 0.37543465344546 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.526958079783258 0.000000000000000 0.000000000000000 b -3.763479039891629 6.518536910312839 0.000000000000000 c 0.000000000000000 0.000000000000000 17.980913629999996 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 2 3 Sr 0.66666666666667 0.83333333333333 0.33333333333333 87.620 > 3 4 Sr 0.16666666666667 0.33333333333333 0.33333333333333 87.620 > 1 5 Sr 0.16666666666667 0.83333333333333 0.33333333333333 87.620 > 2 6 Sr 0.33333333333333 0.16666666666667 0.66666666666667 87.620 > 3 7 Sr 0.83333333333333 0.66666666666667 0.66666666666667 87.620 > 1 8 Sr 0.83333333333333 0.16666666666667 0.66666666666667 87.620 > 2 9 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 *10 Ta 0.66666666666667 0.83333333333333 0.83333333333333 180.948 > 4 *11 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 5 12 Ta 0.83333333333333 0.16666666666667 0.16666666666667 180.948 > 6 13 Ta 0.83333333333333 0.66666666666667 0.16666666666667 180.948 > 7 14 Ta 0.33333333333333 0.16666666666667 0.16666666666667 180.948 > 4 15 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 5 16 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 6 17 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 7 18 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 4 19 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 5 20 Ta 0.16666666666667 0.83333333333333 0.83333333333333 180.948 > 6 21 Ta 0.16666666666667 0.33333333333333 0.83333333333333 180.948 > 7 *22 O 0.74394379063821 0.87197189531911 0.94057531527477 15.999 > 8 23 O 0.92272287602845 0.46136143801423 0.39275801805856 15.999 > 9 *24 O 0.54560514059159 0.09121028118318 0.14400398920709 15.999 > 10 25 O 0.54560514059159 0.45439485940841 0.14400398920709 15.999 > 11 26 O 0.12802810468089 0.87197189531911 0.94057531527477 15.999 > 12 27 O 0.12802810468089 0.25605620936179 0.94057531527477 15.999 > 13 28 O 0.90878971881682 0.45439485940841 0.14400398920709 15.999 > 14 29 O 0.12106152607507 0.87893847392493 0.18932934412624 15.999 > 15 30 O 0.53863856198577 0.07727712397155 0.39275801805856 15.999 > 16 31 O 0.12106152607507 0.24212305215015 0.18932934412624 15.999 > 17 32 O 0.53863856198577 0.46136143801423 0.39275801805856 15.999 > 18 33 O 0.75787694784985 0.87893847392493 0.18932934412624 15.999 > 19 34 O 0.41061045730488 0.20530522865244 0.27390864860811 15.999 > 8 35 O 0.58938954269512 0.79469477134756 0.72609135139189 15.999 > 9 36 O 0.21227180725826 0.42454361451652 0.47733732254042 15.999 > 10 37 O 0.21227180725826 0.78772819274174 0.47733732254042 15.999 > 11 38 O 0.79469477134756 0.20530522865244 0.27390864860811 15.999 > 12 39 O 0.79469477134756 0.58938954269512 0.27390864860811 15.999 > 13 40 O 0.57545638548348 0.78772819274174 0.47733732254042 15.999 > 14 41 O 0.78772819274174 0.21227180725826 0.52266267745958 15.999 > 15 42 O 0.20530522865244 0.41061045730488 0.72609135139189 15.999 > 16 43 O 0.78772819274174 0.57545638548348 0.52266267745958 15.999 > 17 44 O 0.20530522865244 0.79469477134756 0.72609135139189 15.999 > 18 45 O 0.42454361451652 0.21227180725826 0.52266267745958 15.999 > 19 46 O 0.07727712397155 0.53863856198577 0.60724198194144 15.999 > 8 47 O 0.25605620936179 0.12802810468089 0.05942468472523 15.999 > 9 48 O 0.87893847392493 0.75787694784985 0.81067065587376 15.999 > 10 49 O 0.87893847392493 0.12106152607507 0.81067065587376 15.999 > 11 50 O 0.46136143801423 0.53863856198577 0.60724198194144 15.999 > 12 51 O 0.46136143801423 0.92272287602845 0.60724198194144 15.999 > 13 52 O 0.24212305215015 0.12106152607507 0.81067065587376 15.999 > 14 53 O 0.45439485940841 0.54560514059159 0.85599601079291 15.999 > 15 54 O 0.87197189531911 0.74394379063821 0.05942468472523 15.999 > 16 55 O 0.45439485940841 0.90878971881682 0.85599601079291 15.999 > 17 56 O 0.87197189531911 0.12802810468089 0.05942468472523 15.999 > 18 57 O 0.09121028118318 0.54560514059159 0.85599601079291 15.999 > 19 *58 F 0.33333333333333 0.66666666666667 0.29123201322120 18.998 > 20 59 F 0.33333333333333 0.66666666666667 0.04210132011213 18.998 > 21 60 F 0.00000000000000 0.00000000000000 0.62456534655454 18.998 > 20 61 F 0.00000000000000 0.00000000000000 0.37543465344546 18.998 > 21 62 F 0.66666666666667 0.33333333333333 0.95789867988787 18.998 > 20 63 F 0.66666666666667 0.33333333333333 0.70876798677880 18.998 > 21 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.526958079783258 0.000000000000000 0.000000000000000 b -3.763479039891629 6.518536910312839 0.000000000000000 c 0.000000000000000 0.000000000000000 17.980913629999996 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 2 3 Sr 0.66666666666667 0.83333333333333 0.33333333333333 87.620 > 3 4 Sr 0.16666666666667 0.33333333333333 0.33333333333333 87.620 > 1 5 Sr 0.16666666666667 0.83333333333333 0.33333333333333 87.620 > 2 6 Sr 0.33333333333333 0.16666666666667 0.66666666666667 87.620 > 3 7 Sr 0.83333333333333 0.66666666666667 0.66666666666667 87.620 > 1 8 Sr 0.83333333333333 0.16666666666667 0.66666666666667 87.620 > 2 9 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 *10 Ta 0.66666666666667 0.83333333333333 0.83333333333333 180.948 > 4 *11 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 5 12 Ta 0.83333333333333 0.16666666666667 0.16666666666667 180.948 > 6 13 Ta 0.83333333333333 0.66666666666667 0.16666666666667 180.948 > 7 14 Ta 0.33333333333333 0.16666666666667 0.16666666666667 180.948 > 4 15 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 5 16 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 6 17 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 7 18 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 4 19 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 5 20 Ta 0.16666666666667 0.83333333333333 0.83333333333333 180.948 > 6 21 Ta 0.16666666666667 0.33333333333333 0.83333333333333 180.948 > 7 *22 O 0.74394379063821 0.87197189531911 0.94057531527477 15.999 > 8 23 O 0.92272287602845 0.46136143801423 0.39275801805856 15.999 > 9 *24 O 0.54560514059159 0.09121028118318 0.14400398920709 15.999 > 10 25 O 0.54560514059159 0.45439485940841 0.14400398920709 15.999 > 11 26 O 0.12802810468089 0.87197189531911 0.94057531527477 15.999 > 12 27 O 0.12802810468089 0.25605620936179 0.94057531527477 15.999 > 13 28 O 0.90878971881682 0.45439485940841 0.14400398920709 15.999 > 14 29 O 0.12106152607507 0.87893847392493 0.18932934412624 15.999 > 15 30 O 0.53863856198577 0.07727712397155 0.39275801805856 15.999 > 16 31 O 0.12106152607507 0.24212305215015 0.18932934412624 15.999 > 17 32 O 0.53863856198577 0.46136143801423 0.39275801805856 15.999 > 18 33 O 0.75787694784985 0.87893847392493 0.18932934412624 15.999 > 19 34 O 0.41061045730488 0.20530522865244 0.27390864860811 15.999 > 8 35 O 0.58938954269512 0.79469477134756 0.72609135139189 15.999 > 9 36 O 0.21227180725826 0.42454361451652 0.47733732254042 15.999 > 10 37 O 0.21227180725826 0.78772819274174 0.47733732254042 15.999 > 11 38 O 0.79469477134756 0.20530522865244 0.27390864860811 15.999 > 12 39 O 0.79469477134756 0.58938954269512 0.27390864860811 15.999 > 13 40 O 0.57545638548348 0.78772819274174 0.47733732254042 15.999 > 14 41 O 0.78772819274174 0.21227180725826 0.52266267745958 15.999 > 15 42 O 0.20530522865244 0.41061045730488 0.72609135139189 15.999 > 16 43 O 0.78772819274174 0.57545638548348 0.52266267745958 15.999 > 17 44 O 0.20530522865244 0.79469477134756 0.72609135139189 15.999 > 18 45 O 0.42454361451652 0.21227180725826 0.52266267745958 15.999 > 19 46 O 0.07727712397155 0.53863856198577 0.60724198194144 15.999 > 8 47 O 0.25605620936179 0.12802810468089 0.05942468472523 15.999 > 9 48 O 0.87893847392493 0.75787694784985 0.81067065587376 15.999 > 10 49 O 0.87893847392493 0.12106152607507 0.81067065587376 15.999 > 11 50 O 0.46136143801423 0.53863856198577 0.60724198194144 15.999 > 12 51 O 0.46136143801423 0.92272287602845 0.60724198194144 15.999 > 13 52 O 0.24212305215015 0.12106152607507 0.81067065587376 15.999 > 14 53 O 0.45439485940841 0.54560514059159 0.85599601079291 15.999 > 15 54 O 0.87197189531911 0.74394379063821 0.05942468472523 15.999 > 16 55 O 0.45439485940841 0.90878971881682 0.85599601079291 15.999 > 17 56 O 0.87197189531911 0.12802810468089 0.05942468472523 15.999 > 18 57 O 0.09121028118318 0.54560514059159 0.85599601079291 15.999 > 19 *58 F 0.33333333333333 0.66666666666667 0.29123201322120 18.998 > 20 59 F 0.33333333333333 0.66666666666667 0.04210132011213 18.998 > 21 60 F 0.00000000000000 0.00000000000000 0.62456534655454 18.998 > 20 61 F 0.00000000000000 0.00000000000000 0.37543465344546 18.998 > 21 62 F 0.66666666666667 0.33333333333333 0.95789867988787 18.998 > 20 63 F 0.66666666666667 0.33333333333333 0.70876798677880 18.998 > 21 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7284156 -0.0000000 0.0000000 0.0000000 4.7284156 0.0000000 0.0000000 0.0000000 4.3984927 -------------------------- Born effective charges -------------------------- 1 Sr 2.5877152 -0.0000000 0.0000000 0.0000000 2.4730196 0.1411569 0.0000000 0.2878961 2.4826494 2 Sr 2.5016935 0.0496647 0.1222455 0.0496647 2.5590413 -0.0705785 0.2493253 -0.1439480 2.4826494 3 Sr 2.5016935 -0.0496647 -0.1222455 -0.0496647 2.5590413 -0.0705785 -0.2493253 -0.1439480 2.4826494 4 Ta 9.1609370 1.6322633 0.1906869 1.6322633 7.2761617 0.1100932 0.4513781 0.2606032 6.9680751 5 Ta 7.0407974 0.0000000 -0.0000000 0.0000000 7.0407974 -0.0000000 0.0000000 -0.0000000 8.3635357 6 Ta 9.1609370 -1.6322633 -0.1906869 -1.6322633 7.2761617 0.1100932 -0.4513781 0.2606032 6.9680751 7 Ta 6.3337741 0.0000000 -0.0000000 0.0000000 10.1033246 -0.2201863 0.0000000 -0.5212065 6.9680751 8 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 9 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 10 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 11 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 12 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 13 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 14 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 15 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 16 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 17 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 18 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 19 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 20 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 21 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 ---------------------------------------------------------------------------- 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: 189/189 Permutation basis: 7479/7479 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 588 Number of blocks in projector: 394 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: 258 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (588, 564), data: False |-- (106, 100), data: True |-- (224, 216), data: True |-- (258, 248), data: True ----- Solver_atoms: 1 -- 63 / 63 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 0.273 Solver_block: 200 / 240 - Time: 0.278 Solver_block: 240 / 240 - Time: 0.132 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.694 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 189/189 Permutation basis: 7479/7479 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 588 Number of blocks in projector: 394 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: 258 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (588, 564), data: False |-- (106, 100), data: True |-- (224, 216), data: True |-- (258, 248), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:01:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:11]------------------------- 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-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.763479039891633 2.172845636770944 5.993637876666659 b -3.763479039891625 2.172845636770944 5.993637876666659 c 0.000000000000004 -4.345691273541895 5.993637876666659 Atomic positions (fractional): 1 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 2 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 3 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 4 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 5 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 6 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 8 O 0.68451910591299 0.06860341995567 0.06860341995567 15.999 9 O 0.31548089408701 0.93139658004433 0.93139658004433 15.999 10 O 0.68960912979868 0.68960912979868 0.05279370802391 15.999 11 O 0.68960912979868 0.05279370802390 0.68960912979868 15.999 12 O 0.06860341995567 0.68451910591299 0.06860341995567 15.999 13 O 0.06860341995567 0.06860341995567 0.68451910591298 15.999 14 O 0.05279370802391 0.68960912979868 0.68960912979868 15.999 15 O 0.31039087020132 0.94720629197610 0.31039087020132 15.999 16 O 0.93139658004433 0.93139658004433 0.31548089408701 15.999 17 O 0.31039087020132 0.31039087020132 0.94720629197609 15.999 18 O 0.93139658004433 0.31548089408702 0.93139658004433 15.999 19 O 0.94720629197609 0.31039087020132 0.31039087020132 15.999 20 F 0.62456534655454 0.62456534655454 0.62456534655454 18.998 21 F 0.37543465344546 0.37543465344546 0.37543465344546 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.526958079783258 0.000000000000000 0.000000000000000 b -3.763479039891629 6.518536910312839 0.000000000000000 c 0.000000000000000 0.000000000000000 17.980913629999996 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 2 3 Sr 0.66666666666667 0.83333333333333 0.33333333333333 87.620 > 3 4 Sr 0.16666666666667 0.33333333333333 0.33333333333333 87.620 > 1 5 Sr 0.16666666666667 0.83333333333333 0.33333333333333 87.620 > 2 6 Sr 0.33333333333333 0.16666666666667 0.66666666666667 87.620 > 3 7 Sr 0.83333333333333 0.66666666666667 0.66666666666667 87.620 > 1 8 Sr 0.83333333333333 0.16666666666667 0.66666666666667 87.620 > 2 9 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 10 Ta 0.66666666666667 0.83333333333333 0.83333333333333 180.948 > 10 11 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 11 12 Ta 0.83333333333333 0.16666666666667 0.16666666666667 180.948 > 12 13 Ta 0.83333333333333 0.66666666666667 0.16666666666667 180.948 > 13 14 Ta 0.33333333333333 0.16666666666667 0.16666666666667 180.948 > 10 15 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 11 16 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 12 17 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 13 18 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 10 19 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 11 20 Ta 0.16666666666667 0.83333333333333 0.83333333333333 180.948 > 12 21 Ta 0.16666666666667 0.33333333333333 0.83333333333333 180.948 > 13 22 O 0.74394379063821 0.87197189531911 0.94057531527477 15.999 > 22 23 O 0.92272287602845 0.46136143801423 0.39275801805856 15.999 > 23 24 O 0.54560514059159 0.09121028118318 0.14400398920709 15.999 > 24 25 O 0.54560514059159 0.45439485940841 0.14400398920709 15.999 > 25 26 O 0.12802810468089 0.87197189531911 0.94057531527477 15.999 > 26 27 O 0.12802810468089 0.25605620936179 0.94057531527477 15.999 > 27 28 O 0.90878971881682 0.45439485940841 0.14400398920709 15.999 > 28 29 O 0.12106152607507 0.87893847392493 0.18932934412624 15.999 > 29 30 O 0.53863856198577 0.07727712397155 0.39275801805856 15.999 > 30 31 O 0.12106152607507 0.24212305215015 0.18932934412624 15.999 > 31 32 O 0.53863856198577 0.46136143801423 0.39275801805856 15.999 > 32 33 O 0.75787694784985 0.87893847392493 0.18932934412624 15.999 > 33 34 O 0.41061045730488 0.20530522865244 0.27390864860811 15.999 > 22 35 O 0.58938954269512 0.79469477134756 0.72609135139189 15.999 > 23 36 O 0.21227180725826 0.42454361451652 0.47733732254042 15.999 > 24 37 O 0.21227180725826 0.78772819274174 0.47733732254042 15.999 > 25 38 O 0.79469477134756 0.20530522865244 0.27390864860811 15.999 > 26 39 O 0.79469477134756 0.58938954269512 0.27390864860811 15.999 > 27 40 O 0.57545638548348 0.78772819274174 0.47733732254042 15.999 > 28 41 O 0.78772819274174 0.21227180725826 0.52266267745958 15.999 > 29 42 O 0.20530522865244 0.41061045730488 0.72609135139189 15.999 > 30 43 O 0.78772819274174 0.57545638548348 0.52266267745958 15.999 > 31 44 O 0.20530522865244 0.79469477134756 0.72609135139189 15.999 > 32 45 O 0.42454361451652 0.21227180725826 0.52266267745958 15.999 > 33 46 O 0.07727712397155 0.53863856198577 0.60724198194144 15.999 > 22 47 O 0.25605620936179 0.12802810468089 0.05942468472523 15.999 > 23 48 O 0.87893847392493 0.75787694784985 0.81067065587376 15.999 > 24 49 O 0.87893847392493 0.12106152607507 0.81067065587376 15.999 > 25 50 O 0.46136143801423 0.53863856198577 0.60724198194144 15.999 > 26 51 O 0.46136143801423 0.92272287602845 0.60724198194144 15.999 > 27 52 O 0.24212305215015 0.12106152607507 0.81067065587376 15.999 > 28 53 O 0.45439485940841 0.54560514059159 0.85599601079291 15.999 > 29 54 O 0.87197189531911 0.74394379063821 0.05942468472523 15.999 > 30 55 O 0.45439485940841 0.90878971881682 0.85599601079291 15.999 > 31 56 O 0.87197189531911 0.12802810468089 0.05942468472523 15.999 > 32 57 O 0.09121028118318 0.54560514059159 0.85599601079291 15.999 > 33 58 F 0.33333333333333 0.66666666666667 0.29123201322120 18.998 > 58 59 F 0.33333333333333 0.66666666666667 0.04210132011213 18.998 > 59 60 F 0.00000000000000 0.00000000000000 0.62456534655454 18.998 > 58 61 F 0.00000000000000 0.00000000000000 0.37543465344546 18.998 > 59 62 F 0.66666666666667 0.33333333333333 0.95789867988787 18.998 > 58 63 F 0.66666666666667 0.33333333333333 0.70876798677880 18.998 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7284156 -0.0000000 0.0000000 0.0000000 4.7284156 0.0000000 0.0000000 0.0000000 4.3984927 -------------------------- Born effective charges -------------------------- 1 Sr 2.5877152 -0.0000000 0.0000000 0.0000000 2.4730196 0.1411569 0.0000000 0.2878961 2.4826494 2 Sr 2.5016935 0.0496647 0.1222455 0.0496647 2.5590413 -0.0705785 0.2493253 -0.1439480 2.4826494 3 Sr 2.5016935 -0.0496647 -0.1222455 -0.0496647 2.5590413 -0.0705785 -0.2493253 -0.1439480 2.4826494 4 Ta 9.1609370 1.6322633 0.1906869 1.6322633 7.2761617 0.1100932 0.4513781 0.2606032 6.9680751 5 Ta 7.0407974 0.0000000 -0.0000000 0.0000000 7.0407974 -0.0000000 0.0000000 -0.0000000 8.3635357 6 Ta 9.1609370 -1.6322633 -0.1906869 -1.6322633 7.2761617 0.1100932 -0.4513781 0.2606032 6.9680751 7 Ta 6.3337741 0.0000000 -0.0000000 0.0000000 10.1033246 -0.2201863 0.0000000 -0.5212065 6.9680751 8 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 9 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 10 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 11 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 12 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 13 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 14 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 15 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 16 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 17 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 18 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 19 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 20 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 21 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 22, 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[ 24, 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[ 58, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:01:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:18]------------------------- 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-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.763479039891633 2.172845636770944 5.993637876666659 b -3.763479039891625 2.172845636770944 5.993637876666659 c 0.000000000000004 -4.345691273541895 5.993637876666659 Atomic positions (fractional): 1 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 2 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 3 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 4 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 5 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 6 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 8 O 0.68451910591299 0.06860341995567 0.06860341995567 15.999 9 O 0.31548089408701 0.93139658004433 0.93139658004433 15.999 10 O 0.68960912979868 0.68960912979868 0.05279370802391 15.999 11 O 0.68960912979868 0.05279370802390 0.68960912979868 15.999 12 O 0.06860341995567 0.68451910591299 0.06860341995567 15.999 13 O 0.06860341995567 0.06860341995567 0.68451910591298 15.999 14 O 0.05279370802391 0.68960912979868 0.68960912979868 15.999 15 O 0.31039087020132 0.94720629197610 0.31039087020132 15.999 16 O 0.93139658004433 0.93139658004433 0.31548089408701 15.999 17 O 0.31039087020132 0.31039087020132 0.94720629197609 15.999 18 O 0.93139658004433 0.31548089408702 0.93139658004433 15.999 19 O 0.94720629197609 0.31039087020132 0.31039087020132 15.999 20 F 0.62456534655454 0.62456534655454 0.62456534655454 18.998 21 F 0.37543465344546 0.37543465344546 0.37543465344546 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.526958079783258 0.000000000000000 0.000000000000000 b -3.763479039891629 6.518536910312839 0.000000000000000 c 0.000000000000000 0.000000000000000 17.980913629999996 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 2 3 Sr 0.66666666666667 0.83333333333333 0.33333333333333 87.620 > 3 4 Sr 0.16666666666667 0.33333333333333 0.33333333333333 87.620 > 1 5 Sr 0.16666666666667 0.83333333333333 0.33333333333333 87.620 > 2 6 Sr 0.33333333333333 0.16666666666667 0.66666666666667 87.620 > 3 7 Sr 0.83333333333333 0.66666666666667 0.66666666666667 87.620 > 1 8 Sr 0.83333333333333 0.16666666666667 0.66666666666667 87.620 > 2 9 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 10 Ta 0.66666666666667 0.83333333333333 0.83333333333333 180.948 > 10 11 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 11 12 Ta 0.83333333333333 0.16666666666667 0.16666666666667 180.948 > 12 13 Ta 0.83333333333333 0.66666666666667 0.16666666666667 180.948 > 13 14 Ta 0.33333333333333 0.16666666666667 0.16666666666667 180.948 > 10 15 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 11 16 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 12 17 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 13 18 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 10 19 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 11 20 Ta 0.16666666666667 0.83333333333333 0.83333333333333 180.948 > 12 21 Ta 0.16666666666667 0.33333333333333 0.83333333333333 180.948 > 13 22 O 0.74394379063821 0.87197189531911 0.94057531527477 15.999 > 22 23 O 0.92272287602845 0.46136143801423 0.39275801805856 15.999 > 23 24 O 0.54560514059159 0.09121028118318 0.14400398920709 15.999 > 24 25 O 0.54560514059159 0.45439485940841 0.14400398920709 15.999 > 25 26 O 0.12802810468089 0.87197189531911 0.94057531527477 15.999 > 26 27 O 0.12802810468089 0.25605620936179 0.94057531527477 15.999 > 27 28 O 0.90878971881682 0.45439485940841 0.14400398920709 15.999 > 28 29 O 0.12106152607507 0.87893847392493 0.18932934412624 15.999 > 29 30 O 0.53863856198577 0.07727712397155 0.39275801805856 15.999 > 30 31 O 0.12106152607507 0.24212305215015 0.18932934412624 15.999 > 31 32 O 0.53863856198577 0.46136143801423 0.39275801805856 15.999 > 32 33 O 0.75787694784985 0.87893847392493 0.18932934412624 15.999 > 33 34 O 0.41061045730488 0.20530522865244 0.27390864860811 15.999 > 22 35 O 0.58938954269512 0.79469477134756 0.72609135139189 15.999 > 23 36 O 0.21227180725826 0.42454361451652 0.47733732254042 15.999 > 24 37 O 0.21227180725826 0.78772819274174 0.47733732254042 15.999 > 25 38 O 0.79469477134756 0.20530522865244 0.27390864860811 15.999 > 26 39 O 0.79469477134756 0.58938954269512 0.27390864860811 15.999 > 27 40 O 0.57545638548348 0.78772819274174 0.47733732254042 15.999 > 28 41 O 0.78772819274174 0.21227180725826 0.52266267745958 15.999 > 29 42 O 0.20530522865244 0.41061045730488 0.72609135139189 15.999 > 30 43 O 0.78772819274174 0.57545638548348 0.52266267745958 15.999 > 31 44 O 0.20530522865244 0.79469477134756 0.72609135139189 15.999 > 32 45 O 0.42454361451652 0.21227180725826 0.52266267745958 15.999 > 33 46 O 0.07727712397155 0.53863856198577 0.60724198194144 15.999 > 22 47 O 0.25605620936179 0.12802810468089 0.05942468472523 15.999 > 23 48 O 0.87893847392493 0.75787694784985 0.81067065587376 15.999 > 24 49 O 0.87893847392493 0.12106152607507 0.81067065587376 15.999 > 25 50 O 0.46136143801423 0.53863856198577 0.60724198194144 15.999 > 26 51 O 0.46136143801423 0.92272287602845 0.60724198194144 15.999 > 27 52 O 0.24212305215015 0.12106152607507 0.81067065587376 15.999 > 28 53 O 0.45439485940841 0.54560514059159 0.85599601079291 15.999 > 29 54 O 0.87197189531911 0.74394379063821 0.05942468472523 15.999 > 30 55 O 0.45439485940841 0.90878971881682 0.85599601079291 15.999 > 31 56 O 0.87197189531911 0.12802810468089 0.05942468472523 15.999 > 32 57 O 0.09121028118318 0.54560514059159 0.85599601079291 15.999 > 33 58 F 0.33333333333333 0.66666666666667 0.29123201322120 18.998 > 58 59 F 0.33333333333333 0.66666666666667 0.04210132011213 18.998 > 59 60 F 0.00000000000000 0.00000000000000 0.62456534655454 18.998 > 58 61 F 0.00000000000000 0.00000000000000 0.37543465344546 18.998 > 59 62 F 0.66666666666667 0.33333333333333 0.95789867988787 18.998 > 58 63 F 0.66666666666667 0.33333333333333 0.70876798677880 18.998 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7284156 -0.0000000 0.0000000 0.0000000 4.7284156 0.0000000 0.0000000 0.0000000 4.3984927 -------------------------- Born effective charges -------------------------- 1 Sr 2.5877152 -0.0000000 0.0000000 0.0000000 2.4730196 0.1411569 0.0000000 0.2878961 2.4826494 2 Sr 2.5016935 0.0496647 0.1222455 0.0496647 2.5590413 -0.0705785 0.2493253 -0.1439480 2.4826494 3 Sr 2.5016935 -0.0496647 -0.1222455 -0.0496647 2.5590413 -0.0705785 -0.2493253 -0.1439480 2.4826494 4 Ta 9.1609370 1.6322633 0.1906869 1.6322633 7.2761617 0.1100932 0.4513781 0.2606032 6.9680751 5 Ta 7.0407974 0.0000000 -0.0000000 0.0000000 7.0407974 -0.0000000 0.0000000 -0.0000000 8.3635357 6 Ta 9.1609370 -1.6322633 -0.1906869 -1.6322633 7.2761617 0.1100932 -0.4513781 0.2606032 6.9680751 7 Ta 6.3337741 0.0000000 -0.0000000 0.0000000 10.1033246 -0.2201863 0.0000000 -0.5212065 6.9680751 8 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 9 O -2.8063407 -0.8304994 -1.4053119 -0.8304994 -1.8473626 -0.8113572 -1.5320531 -0.8845313 -4.1811904 10 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 11 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 12 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 13 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 14 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 15 O -2.5250727 -2.0665680 -0.2137743 -2.0665680 -4.9113399 0.1234227 -0.2576514 0.1487551 -1.6605427 16 O -1.3678735 -0.0000000 0.0000000 0.0000000 -3.2858297 1.6227144 0.0000000 1.7690625 -4.1811904 17 O -6.1044734 0.0000000 -0.0000000 0.0000000 -1.3319392 -0.2468453 0.0000000 -0.2975103 -1.6605427 18 O -2.8063407 0.8304994 1.4053119 0.8304994 -1.8473626 -0.8113572 1.5320531 -0.8845313 -4.1811904 19 O -2.5250727 2.0665680 0.2137743 2.0665680 -4.9113399 0.1234227 0.2576514 0.1487551 -1.6605427 20 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 21 F -1.5086000 0.0000000 -0.0000000 0.0000000 -1.5086000 -0.0000000 0.0000000 -0.0000000 -0.8326553 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 65 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 0.983 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.093 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 19.337 ( 0.000 0.000 0.000) 0.000 19.337 ( 0.000 0.000 0.000) 0.000 26.052 ( 0.000 0.000 0.000) 0.000 26.052 ( 0.000 0.000 0.000) 0.000 26.360 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 10.003 5.775 5.359) 12.733 0.643 ( 18.873 10.896 20.801) 30.127 1.326 ( 27.930 16.125 -0.173) 32.251 1.338 ( 51.901 29.965 14.988) 61.776 1.545 ( 9.086 5.246 2.107) 10.701 1.728 ( 8.115 4.685 6.031) 11.144 1.847 ( 3.552 2.051 3.732) 5.545 2.271 ( 19.889 11.483 -0.379) 22.969 2.578 ( 4.029 2.326 -0.049) 4.653 2.641 ( 1.807 1.043 0.627) 2.179 2.713 ( 3.728 2.152 -3.030) 5.264 2.853 ( 5.955 3.438 10.940) 12.921 3.300 ( -0.859 -0.496 1.024) 1.425 3.358 ( 4.309 2.488 -0.102) 4.976 3.624 ( 0.716 0.413 3.050) 3.160 4.119 ( -0.884 -0.510 0.036) 1.021 4.598 ( 2.893 1.670 -7.689) 8.384 4.690 ( 0.456 0.263 -2.105) 2.170 4.694 ( -1.447 -0.835 1.689) 2.376 6.373 ( -2.609 -1.506 -2.907) 4.186 6.442 ( 3.489 2.014 -1.096) 4.175 6.597 ( -12.635 -7.295 -5.120) 15.462 6.842 ( -0.749 -0.432 10.576) 10.612 7.074 ( -8.686 -5.015 -28.583) 30.292 7.441 ( 1.961 1.132 -15.194) 15.362 7.624 ( -3.943 -2.277 26.541) 26.929 7.728 ( 17.745 10.245 -15.689) 25.806 7.757 ( -7.636 -4.409 0.053) 8.817 8.206 ( 0.946 0.546 10.738) 10.793 8.254 ( 9.924 5.730 16.231) 19.869 8.776 ( -10.211 -5.895 1.873) 11.938 9.001 ( -4.317 -2.492 3.106) 5.873 9.268 ( -4.672 -2.697 0.346) 5.406 9.270 ( -3.499 -2.020 -6.653) 7.784 9.291 ( -2.319 -1.339 -3.222) 4.189 9.630 ( 4.817 2.781 -1.156) 5.681 10.302 ( 4.774 2.756 -3.067) 6.308 10.386 ( 3.710 2.142 -0.416) 4.305 10.404 ( 2.604 1.504 3.425) 4.558 10.670 ( 0.681 0.393 -0.276) 0.833 10.679 ( 1.291 0.746 0.424) 1.550 10.935 ( 2.366 1.366 0.035) 2.732 10.986 ( 5.652 3.263 0.064) 6.527 11.591 ( 6.236 3.600 1.725) 7.404 11.892 ( 0.992 0.573 -3.465) 3.650 11.898 ( -1.558 -0.900 2.797) 3.326 13.117 ( -5.119 -2.955 0.423) 5.926 13.327 ( -2.660 -1.536 -6.167) 6.889 13.521 ( -6.622 -3.823 -1.183) 7.737 13.673 ( 3.852 2.224 6.263) 7.682 14.922 ( -4.169 -2.407 -4.160) 6.362 15.208 ( 3.070 1.772 -0.592) 3.594 15.313 ( 5.397 3.116 -1.622) 6.439 15.642 ( -6.597 -3.809 -11.456) 13.758 17.670 ( 6.633 3.830 8.810) 11.674 17.689 ( -0.591 -0.341 0.163) 0.702 18.288 ( -2.751 -1.588 -0.028) 3.176 19.323 ( -1.031 -0.595 -0.581) 1.325 19.357 ( 1.669 0.963 -1.235) 2.288 22.695 ( 12.397 7.158 -5.540) 15.350 25.969 ( -7.299 -4.214 -0.951) 8.482 26.000 ( -4.597 -2.654 0.396) 5.323 26.337 ( -1.253 -0.724 -1.821) 2.326 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -1.433 -0.827 4.381) 4.683 1.085 ( 10.954 6.324 11.188) 16.887 1.733 ( 5.103 2.946 2.278) 6.317 1.802 ( 11.254 6.497 1.454) 13.076 1.943 ( 9.631 5.560 4.136) 11.865 2.151 ( 19.458 11.234 -0.149) 22.468 2.389 ( 20.947 12.094 14.072) 27.984 2.703 ( 7.544 4.355 -2.851) 9.165 2.703 ( 17.479 10.091 3.672) 20.514 2.743 ( 7.482 4.320 4.497) 9.740 2.950 ( 26.410 15.248 -5.760) 31.035 3.160 ( 10.457 6.038 21.795) 24.916 3.280 ( -1.945 -1.123 1.917) 2.953 3.490 ( 7.994 4.615 -1.190) 9.307 3.669 ( 1.028 0.594 3.473) 3.671 4.097 ( -0.942 -0.544 1.251) 1.658 4.601 ( 1.084 0.626 -1.211) 1.741 4.678 ( -1.361 -0.786 3.202) 3.567 4.713 ( 2.349 1.356 -1.102) 2.928 6.231 ( -8.109 -4.682 -3.912) 10.148 6.283 ( -11.522 -6.652 -4.524) 14.053 6.570 ( 8.502 4.909 -0.198) 9.820 6.718 ( -6.356 -3.670 -24.161) 25.251 6.906 ( -1.957 -1.130 13.982) 14.163 7.380 ( 2.500 1.443 -16.159) 16.415 7.549 ( -8.235 -4.754 -3.924) 10.287 7.643 ( -3.277 -1.892 6.643) 7.645 8.031 ( 14.436 8.334 -5.214) 17.465 8.318 ( 0.818 0.472 13.329) 13.362 8.468 ( -17.479 -10.092 2.074) 20.289 8.585 ( 7.622 4.401 16.876) 19.033 8.893 ( -6.663 -3.847 -2.961) 8.244 9.123 ( -4.771 -2.754 -3.724) 6.650 9.151 ( -5.374 -3.102 0.132) 6.206 9.177 ( -3.320 -1.917 -10.040) 10.747 9.768 ( 8.157 4.709 -1.028) 9.475 10.405 ( -3.688 -2.130 1.574) 4.541 10.424 ( 4.243 2.450 6.814) 8.393 10.485 ( 4.397 2.539 1.081) 5.192 10.750 ( 7.181 4.146 0.805) 8.330 10.787 ( 5.514 3.184 0.432) 6.382 11.045 ( 7.786 4.495 2.982) 9.472 11.120 ( 5.882 3.396 0.026) 6.792 11.772 ( 4.896 2.827 7.284) 9.220 11.900 ( 0.017 0.010 5.996) 5.996 11.910 ( 6.715 3.877 -10.147) 12.771 12.948 ( -9.912 -5.723 -0.893) 11.480 13.205 ( -3.883 -2.242 -7.223) 8.501 13.300 ( -12.026 -6.943 -2.743) 14.154 13.835 ( 6.251 3.609 7.130) 10.146 14.750 ( -7.416 -4.281 -7.512) 11.391 15.077 ( -7.668 -4.427 -2.197) 9.123 15.358 ( -12.817 -7.400 -3.711) 15.257 15.701 ( 24.076 13.900 -1.159) 27.825 17.673 ( -1.074 -0.620 0.510) 1.341 17.958 ( 12.971 7.489 9.292) 17.626 18.160 ( -9.422 -5.440 -0.385) 10.887 19.291 ( -1.127 -0.651 -0.960) 1.618 19.358 ( -0.896 -0.517 -3.279) 3.438 23.028 ( 17.518 10.114 3.606) 20.547 25.721 ( -13.504 -7.797 -2.784) 15.840 25.876 ( -6.339 -3.660 0.638) 7.347 26.291 ( -1.433 -0.827 -2.160) 2.721 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -3.669 -2.118 2.538) 4.938 1.303 ( 4.579 2.644 4.215) 6.763 1.792 ( 0.070 0.041 3.030) 3.031 1.996 ( 5.845 3.375 -1.604) 6.937 2.155 ( 6.314 3.646 4.564) 8.602 2.434 ( 6.986 4.033 0.892) 8.116 2.534 ( -0.817 -0.472 -0.159) 0.957 2.832 ( 6.113 3.530 -4.186) 8.207 3.011 ( 10.237 5.910 2.032) 11.994 3.105 ( 12.920 7.460 1.503) 14.995 3.242 ( -2.625 -1.515 2.184) 3.735 3.439 ( 6.432 3.714 12.417) 14.469 3.561 ( 12.821 7.402 -1.321) 14.863 3.650 ( -0.348 -0.201 1.372) 1.430 3.850 ( 21.435 12.376 9.015) 26.342 4.120 ( 1.808 1.044 2.478) 3.240 4.669 ( 5.082 2.934 0.175) 5.871 4.679 ( -0.715 -0.413 3.134) 3.241 4.759 ( 1.278 0.738 1.399) 2.033 5.969 ( -11.712 -6.762 -4.837) 14.363 6.055 ( -6.388 -3.688 -2.786) 7.884 6.473 ( -3.584 -2.069 -13.661) 14.274 6.806 ( 11.477 6.626 0.875) 13.281 6.934 ( -1.357 -0.783 6.453) 6.641 7.269 ( -4.684 -2.705 -6.393) 8.374 7.453 ( 2.252 1.300 -5.121) 5.743 7.601 ( -2.144 -1.238 0.275) 2.491 8.038 ( -19.389 -11.194 1.596) 22.445 8.258 ( 7.799 4.503 -1.662) 9.158 8.458 ( 2.651 1.530 9.780) 10.248 8.684 ( -7.431 -4.290 -5.158) 10.012 8.783 ( 1.816 1.049 9.193) 9.429 8.984 ( -6.474 -3.738 -3.087) 8.088 9.064 ( -2.060 -1.189 0.316) 2.399 9.082 ( 0.579 0.334 -6.228) 6.263 9.947 ( 7.375 4.258 -0.493) 8.531 10.325 ( -3.288 -1.898 0.694) 3.860 10.539 ( 2.135 1.233 2.852) 3.769 10.582 ( 2.877 1.661 4.220) 5.371 10.849 ( 0.999 0.577 -0.944) 1.490 10.985 ( 11.161 6.444 2.933) 13.217 11.225 ( 3.275 1.891 -0.807) 3.866 11.253 ( 6.161 3.557 2.270) 7.468 11.822 ( -1.782 -1.029 4.842) 5.261 12.050 ( 9.703 5.602 9.199) 14.497 12.106 ( 13.770 7.950 -8.217) 17.898 12.684 ( -12.876 -7.434 -0.083) 14.868 12.960 ( -15.746 -9.091 -5.013) 18.860 13.071 ( -3.847 -2.221 -4.875) 6.595 14.033 ( 6.636 3.831 7.434) 10.676 14.513 ( -7.906 -4.565 -9.030) 12.841 14.911 ( -5.294 -3.057 -1.674) 6.338 15.084 ( -9.332 -5.388 -0.901) 10.813 16.274 ( 26.335 15.205 -0.866) 30.421 17.636 ( -3.974 -2.294 1.345) 4.782 17.873 ( -13.811 -7.974 -1.339) 16.004 18.324 ( 13.082 7.553 8.246) 17.210 19.259 ( -5.074 -2.930 -4.800) 7.574 19.268 ( -0.382 -0.220 -0.705) 0.832 23.464 ( 16.890 9.751 5.723) 20.325 25.371 ( -14.357 -8.289 -3.909) 17.033 25.755 ( -4.343 -2.507 0.507) 5.040 26.252 ( -0.871 -0.503 -1.300) 1.644 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 -0.000) 0.000 2.050 ( -0.000 -0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 -0.000) 0.000 3.542 ( -0.000 -0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.761 ( -0.000 -0.000 0.000) 0.000 4.765 ( 0.000 0.000 -0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.383 ( -0.000 -0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 -0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 -0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.851 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.230 ( -0.000 -0.000 0.000) 0.000 11.320 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.298 ( -0.000 -0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 -0.000) 0.000 12.650 ( -0.000 -0.000 -0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.343 ( 0.000 0.000 -0.000) 0.000 14.843 ( 0.000 0.000 0.000) 0.000 14.971 ( 0.000 0.000 0.000) 0.000 16.657 ( 0.000 0.000 0.000) 0.000 17.495 ( 0.000 0.000 -0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 18.538 ( 0.000 0.000 0.000) 0.000 19.150 ( -0.000 -0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 23.711 ( 0.000 0.000 0.000) 0.000 25.160 ( 0.000 0.000 0.000) 0.000 25.707 ( 0.000 0.000 0.000) 0.000 26.238 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.000 10.139 17.332) 20.080 0.863 ( -0.000 19.159 25.912) 32.226 1.336 ( -0.000 31.767 0.554) 31.771 1.407 ( -0.000 50.422 26.254) 56.848 1.587 ( -0.000 16.233 5.568) 17.161 1.791 ( -0.000 13.243 9.486) 16.290 1.945 ( -0.000 3.033 12.212) 12.583 2.162 ( 0.000 21.010 -5.462) 21.708 2.560 ( 0.000 2.934 -0.909) 3.072 2.705 ( 0.000 6.675 -1.179) 6.778 2.790 ( -0.000 7.695 14.033) 16.004 2.866 ( -0.000 1.390 9.536) 9.637 3.301 ( -0.000 -1.315 1.571) 2.049 3.368 ( -0.000 5.220 1.064) 5.327 3.641 ( -0.000 -0.343 4.109) 4.124 4.163 ( -0.000 -0.024 3.746) 3.746 4.520 ( 0.000 9.992 -9.921) 14.081 4.665 ( 0.000 -2.888 -1.204) 3.129 4.714 ( -0.000 0.289 0.840) 0.888 6.388 ( 0.000 1.023 -2.100) 2.336 6.449 ( 0.000 5.308 -1.616) 5.549 6.632 ( 0.000 -8.945 -10.420) 13.733 6.673 ( 0.000 -17.443 -4.428) 17.997 7.060 ( 0.000 7.180 -16.049) 17.582 7.424 ( 0.000 6.692 -10.251) 12.242 7.477 ( 0.000 9.397 -13.619) 16.546 7.767 ( 0.000 -10.953 -0.490) 10.964 7.804 ( -0.000 -3.960 18.868) 19.279 8.314 ( -0.000 0.394 15.871) 15.876 8.407 ( -0.000 14.674 21.501) 26.031 8.778 ( 0.000 -12.791 1.514) 12.881 9.104 ( -0.000 -3.719 6.855) 7.799 9.178 ( 0.000 -7.642 -6.297) 9.902 9.184 ( 0.000 -6.460 -7.564) 9.947 9.287 ( 0.000 -0.163 -5.726) 5.729 9.686 ( -0.000 5.658 4.096) 6.985 10.220 ( 0.000 12.206 -8.006) 14.597 10.340 ( 0.000 1.902 -1.834) 2.642 10.435 ( -0.000 2.705 6.722) 7.246 10.672 ( -0.000 -0.055 0.059) 0.081 10.674 ( -0.000 0.780 0.280) 0.829 10.930 ( 0.000 2.350 -0.596) 2.424 10.986 ( -0.000 6.964 0.075) 6.965 11.593 ( -0.000 4.612 1.775) 4.941 11.823 ( 0.000 -5.565 -4.327) 7.050 11.974 ( -0.000 6.684 4.048) 7.814 13.116 ( 0.000 -4.571 -1.858) 4.934 13.412 ( 0.000 1.057 -0.523) 1.179 13.501 ( 0.000 -7.911 -3.103) 8.497 13.610 ( -0.000 -0.793 2.650) 2.766 14.884 ( 0.000 -5.393 -6.254) 8.258 15.182 ( 0.000 -1.300 -3.456) 3.693 15.295 ( 0.000 10.035 -2.762) 10.408 15.576 ( 0.000 0.755 -13.265) 13.286 17.656 ( -0.000 1.678 6.075) 6.303 17.803 ( -0.000 2.694 10.526) 10.866 18.292 ( -0.000 -2.602 0.415) 2.634 19.319 ( 0.000 -1.124 -1.070) 1.552 19.341 ( 0.000 1.546 -2.142) 2.641 22.648 ( 0.000 18.773 -3.390) 19.077 25.978 ( 0.000 -7.838 -0.063) 7.838 25.987 ( 0.000 -5.879 -0.776) 5.930 26.315 ( 0.000 -1.962 -3.467) 3.984 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.648 12.590 11.804) 17.270 1.381 ( 13.815 21.620 11.721) 28.208 1.494 ( -0.546 19.736 10.790) 22.500 1.738 ( 7.259 11.116 3.643) 13.768 1.926 ( -4.209 10.903 4.428) 12.498 2.073 ( 4.280 10.848 17.013) 20.626 2.336 ( 15.754 12.699 13.080) 24.095 2.524 ( 14.363 18.993 1.903) 23.888 2.640 ( 7.037 9.006 -1.225) 11.495 2.838 ( -2.736 6.862 8.602) 11.339 2.881 ( 9.056 23.813 -1.585) 25.526 3.171 ( 11.546 3.907 17.703) 21.493 3.320 ( 1.242 0.584 8.773) 8.880 3.456 ( 2.802 8.049 0.150) 8.524 3.686 ( 1.072 0.924 4.829) 5.032 4.140 ( -3.569 -1.334 2.784) 4.719 4.577 ( 1.588 1.089 -1.812) 2.644 4.660 ( 3.876 0.259 -0.631) 3.935 4.715 ( -0.667 0.252 0.769) 1.049 6.325 ( -7.288 -3.064 -2.727) 8.363 6.359 ( -8.052 -4.818 -7.436) 11.973 6.467 ( 2.733 -12.734 -15.996) 20.628 6.533 ( 2.888 7.349 -2.190) 8.194 7.129 ( 1.654 7.258 4.438) 8.666 7.230 ( -7.674 3.504 -12.027) 14.690 7.569 ( -6.696 -11.264 -4.588) 13.884 7.649 ( 5.631 12.881 -21.514) 25.700 7.922 ( 6.051 -6.733 24.311) 25.942 8.397 ( -0.185 -3.363 13.300) 13.720 8.565 ( -8.801 -17.115 1.719) 19.322 8.722 ( 1.770 13.257 17.876) 22.326 8.964 ( -4.560 -6.328 -11.054) 13.529 9.057 ( -1.383 -0.541 -0.087) 1.488 9.121 ( -4.844 -8.658 -1.176) 9.990 9.239 ( -0.972 1.824 -7.309) 7.596 9.786 ( 0.982 10.628 3.917) 11.370 10.342 ( 5.267 -1.064 3.058) 6.183 10.425 ( 4.777 4.380 0.433) 6.496 10.502 ( 0.601 3.531 3.486) 4.998 10.685 ( 3.267 1.641 3.687) 5.192 10.750 ( 3.410 5.085 -0.475) 6.141 10.968 ( 3.909 1.894 0.756) 4.409 11.109 ( 4.060 7.942 1.081) 8.985 11.701 ( 6.943 1.471 2.153) 7.416 11.748 ( 3.637 -5.540 -7.421) 9.949 12.072 ( -3.406 11.970 6.648) 14.109 12.994 ( -5.823 -6.447 -4.150) 9.628 13.222 ( -9.302 -8.468 -0.468) 12.588 13.431 ( -6.117 0.572 -5.179) 8.035 13.733 ( 10.584 -1.428 4.024) 11.412 14.732 ( -4.326 -7.408 -8.928) 12.382 15.105 ( -0.117 -9.275 -6.707) 11.446 15.366 ( -5.354 -2.557 -8.073) 10.019 15.546 ( 8.615 14.714 -0.069) 17.051 17.730 ( -1.418 2.931 4.540) 5.587 17.939 ( 5.423 5.467 11.347) 13.713 18.229 ( -4.722 -4.436 1.649) 6.685 19.282 ( -1.058 -1.934 -1.792) 2.841 19.344 ( 0.278 0.919 -3.739) 3.860 22.949 ( 11.530 18.495 5.576) 22.496 25.806 ( -8.609 -10.055 -2.417) 13.456 25.892 ( -2.790 -8.616 -0.013) 9.056 26.266 ( 0.060 -2.204 -3.994) 4.563 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -13.221 24.152 2.105) 27.614 1.523 ( -17.925 21.761 19.307) 34.170 1.887 ( 11.925 1.164 5.223) 13.070 1.932 ( -5.918 7.628 2.237) 9.910 2.043 ( 14.128 3.563 1.400) 14.637 2.378 ( 5.679 7.044 8.869) 12.670 2.545 ( 5.312 3.935 0.294) 6.617 2.727 ( 7.260 3.642 -2.047) 8.376 2.911 ( 6.414 4.563 9.593) 12.409 3.030 ( 8.213 11.443 4.987) 14.942 3.229 ( 1.100 -3.450 2.908) 4.644 3.445 ( 10.055 19.290 -0.225) 21.754 3.523 ( 4.233 7.495 2.691) 9.019 3.716 ( -1.755 1.727 10.397) 10.685 3.795 ( 13.406 15.241 14.366) 24.867 4.106 ( 1.398 -1.053 2.268) 2.865 4.610 ( 4.189 1.394 -1.436) 4.642 4.714 ( -0.427 -0.315 1.666) 1.749 4.745 ( 3.158 0.937 2.178) 3.949 6.089 ( -7.995 -5.170 -4.071) 10.354 6.167 ( -12.042 2.261 -4.793) 13.157 6.326 ( 3.931 -7.528 -10.302) 13.351 6.715 ( 8.794 10.918 -1.004) 14.056 7.049 ( -8.536 3.143 -4.012) 9.942 7.241 ( -0.641 -2.608 -2.360) 3.576 7.369 ( 1.647 -5.966 -0.732) 6.233 7.637 ( -2.318 10.496 -15.632) 18.972 8.134 ( 3.452 -10.797 14.358) 18.293 8.219 ( -9.168 -13.352 5.094) 16.978 8.447 ( 2.187 -4.214 5.537) 7.294 8.727 ( -4.045 -4.462 -10.717) 12.293 8.861 ( -7.792 -4.251 2.203) 9.146 9.011 ( -1.454 3.408 5.544) 6.668 9.057 ( 0.802 0.908 4.333) 4.499 9.169 ( -4.877 5.023 -7.013) 9.909 9.961 ( 1.972 12.577 4.169) 13.396 10.322 ( -2.143 -5.542 2.039) 6.282 10.562 ( 3.803 4.756 1.912) 6.383 10.605 ( 1.610 5.371 1.997) 5.952 10.774 ( 2.531 -3.104 2.255) 4.596 10.915 ( 8.528 8.607 2.849) 12.446 11.104 ( 7.956 -0.170 2.241) 8.268 11.266 ( 3.485 7.569 2.524) 8.707 11.740 ( 8.938 -5.354 -3.704) 11.057 11.901 ( 12.972 3.682 -1.248) 13.542 12.177 ( -4.828 13.709 5.675) 15.603 12.761 ( -8.925 -8.611 -4.390) 13.156 12.952 ( -9.348 -15.780 -0.585) 18.350 13.276 ( -11.148 5.959 -3.607) 13.145 13.941 ( 11.433 -0.064 4.361) 12.237 14.490 ( -6.187 -8.717 -11.038) 15.366 14.958 ( -3.237 -4.074 -5.356) 7.468 15.114 ( -7.236 -10.485 -5.694) 13.954 15.996 ( 21.921 18.424 0.117) 28.635 17.722 ( -5.391 -0.045 5.170) 7.470 17.980 ( -8.740 -10.604 -0.072) 13.742 18.290 ( 8.250 10.276 10.730) 16.994 19.227 ( -0.896 -2.953 -3.640) 4.772 19.297 ( -2.512 -0.031 -4.196) 4.891 23.407 ( 13.502 18.837 10.080) 25.273 25.486 ( -13.588 -10.727 -4.906) 17.994 25.755 ( -2.516 -9.156 0.067) 9.496 26.228 ( 0.655 -1.695 -3.023) 3.527 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -19.641 33.811 -0.657) 39.107 1.542 ( -13.846 10.419 17.096) 24.342 1.896 ( -6.189 5.278 1.440) 8.261 2.046 ( 3.166 0.281 5.420) 6.283 2.222 ( 3.595 1.270 -0.771) 3.890 2.449 ( 0.297 -1.759 1.650) 2.430 2.666 ( -3.952 10.775 2.630) 11.774 2.862 ( 6.116 3.169 -0.408) 6.900 3.117 ( 4.624 0.248 5.332) 7.062 3.184 ( -0.390 -6.190 3.159) 6.961 3.251 ( 3.906 5.118 1.203) 6.550 3.572 ( 0.595 0.044 1.746) 1.846 3.628 ( -4.813 -2.138 -0.616) 5.302 3.703 ( 1.561 5.480 0.675) 5.738 4.038 ( 0.360 -4.876 1.591) 5.142 4.339 ( 5.626 15.499 1.844) 16.591 4.709 ( -1.035 -0.133 2.053) 2.303 4.716 ( 4.883 0.766 0.405) 4.960 4.781 ( -0.646 -1.123 1.376) 1.890 5.915 ( -9.425 2.465 2.645) 10.095 6.009 ( -4.899 4.666 -3.265) 7.512 6.324 ( 6.155 -3.023 0.553) 6.880 6.922 ( -2.702 2.674 -6.941) 7.914 6.985 ( 5.900 9.802 -1.768) 11.577 7.147 ( 2.577 -4.915 -2.347) 6.025 7.429 ( 4.200 -2.621 3.986) 6.356 7.592 ( -2.336 8.558 -11.684) 14.670 7.817 ( -11.347 -13.349 3.081) 17.788 8.297 ( 3.698 -8.709 10.902) 14.435 8.473 ( 3.630 -3.503 0.534) 5.073 8.608 ( -0.729 0.361 -6.288) 6.340 8.725 ( -1.664 -6.662 4.527) 8.225 8.992 ( -2.724 2.022 -3.777) 5.077 9.090 ( -4.306 2.794 -4.328) 6.714 9.163 ( -2.731 8.638 9.099) 12.840 10.092 ( -0.448 4.755 3.385) 5.855 10.277 ( -2.208 1.448 0.711) 2.734 10.639 ( -1.822 2.243 -2.214) 3.640 10.645 ( -0.252 4.871 0.614) 4.916 10.776 ( 2.087 -5.598 1.296) 6.113 11.100 ( 7.539 -5.950 1.201) 9.679 11.217 ( -0.011 5.610 2.227) 6.036 11.368 ( -0.797 4.825 2.890) 5.681 11.862 ( 4.940 3.993 -3.877) 7.442 12.195 ( 13.308 6.426 0.239) 14.780 12.243 ( 5.404 4.747 -2.877) 7.747 12.485 ( -8.357 -15.174 -3.242) 17.624 12.641 ( -10.165 -11.277 4.806) 15.925 13.178 ( -8.165 11.313 1.213) 14.005 14.146 ( 5.783 -1.626 4.034) 7.236 14.257 ( 0.970 -6.107 -10.041) 11.793 14.874 ( -2.394 2.832 -4.570) 5.885 14.916 ( 0.459 -9.129 -2.305) 9.426 16.526 ( 18.704 11.929 0.206) 22.185 17.524 ( -10.384 -14.017 0.605) 17.455 17.804 ( -5.553 1.958 4.204) 7.235 18.554 ( 2.664 4.571 5.543) 7.663 19.139 ( -0.861 0.074 -5.753) 5.818 19.254 ( 0.155 -0.969 -0.529) 1.115 23.791 ( 1.832 13.109 7.740) 15.334 25.172 ( -6.242 -5.798 -3.764) 9.314 25.658 ( 1.089 -7.533 -0.425) 7.623 26.215 ( 1.315 -0.957 -1.644) 2.313 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -19.811 38.277 -1.916) 43.142 1.492 ( -15.306 5.532 15.323) 22.354 1.856 ( -5.215 5.122 -0.205) 7.313 2.085 ( -3.380 -1.035 6.140) 7.085 2.176 ( -4.428 -2.630 -4.840) 7.068 2.445 ( -1.700 -2.305 1.580) 3.271 2.654 ( -7.760 6.454 1.618) 10.222 2.927 ( -4.020 -1.449 5.867) 7.258 3.064 ( -8.499 -12.144 0.348) 14.826 3.140 ( 4.115 -4.155 -1.266) 5.983 3.242 ( -8.137 -1.648 -0.339) 8.309 3.440 ( -8.902 -2.160 -10.788) 14.152 3.632 ( 2.072 0.867 -0.312) 2.267 3.726 ( -4.886 2.120 2.190) 5.759 3.933 ( -0.239 -7.887 -4.987) 9.334 4.302 ( -21.068 4.102 -1.167) 21.495 4.672 ( -2.038 0.031 -1.482) 2.520 4.732 ( -4.241 -1.153 -0.902) 4.487 4.748 ( 0.640 -2.387 0.206) 2.480 5.962 ( 3.844 7.086 6.543) 10.383 6.046 ( 2.292 9.001 0.868) 9.328 6.471 ( 7.176 -1.678 14.083) 15.894 6.834 ( -0.096 2.291 -13.414) 13.608 6.997 ( -10.877 -0.136 -0.483) 10.889 7.197 ( 7.761 -2.323 0.686) 8.131 7.489 ( 1.241 -4.324 7.923) 9.111 7.594 ( -0.632 9.268 -10.578) 14.078 7.772 ( 15.892 -0.030 -0.294) 15.894 8.276 ( -0.621 -9.174 2.470) 9.521 8.482 ( -4.142 -1.592 5.534) 7.094 8.662 ( 7.072 4.117 2.867) 8.670 8.729 ( 2.348 -1.396 -0.440) 2.767 8.922 ( -2.710 2.373 -7.958) 8.735 9.038 ( 0.266 -1.921 -0.035) 1.940 9.249 ( -3.694 9.130 7.531) 12.398 10.096 ( -7.067 2.016 3.552) 8.162 10.241 ( 0.653 -1.989 -2.479) 3.245 10.564 ( -4.377 0.279 -7.292) 8.509 10.657 ( -5.087 5.945 0.008) 7.825 10.781 ( 3.804 -6.382 2.653) 7.889 11.079 ( -3.107 -6.996 -1.501) 7.801 11.196 ( -4.589 -1.487 0.784) 4.887 11.362 ( -6.055 1.889 1.431) 6.502 11.812 ( -5.027 -2.644 -7.056) 9.058 12.109 ( -9.282 -3.218 -9.379) 13.582 12.329 ( -11.308 -2.434 6.564) 13.299 12.484 ( 15.611 2.220 -0.216) 15.770 12.673 ( 19.518 -2.174 4.190) 20.081 13.248 ( -3.018 14.772 7.383) 16.788 13.999 ( -3.851 -8.359 -9.132) 12.965 14.423 ( 11.903 1.290 4.508) 12.793 14.866 ( 5.145 0.906 -3.775) 6.445 14.963 ( 7.229 2.544 0.906) 7.717 16.527 ( -19.341 -11.124 0.367) 22.315 17.507 ( 15.246 1.493 -0.625) 15.332 17.820 ( 0.190 4.316 5.196) 6.757 18.441 ( -13.288 -4.277 -5.106) 14.864 19.204 ( 5.228 2.187 0.738) 5.715 19.271 ( 2.567 1.180 0.858) 2.953 23.708 ( -20.173 -0.019 -0.218) 20.175 25.233 ( 12.395 5.390 1.961) 13.657 25.652 ( 5.920 -4.762 -0.978) 7.660 26.230 ( 2.033 -0.314 -0.332) 2.084 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -16.603 25.708 -5.409) 31.077 1.354 ( -24.312 16.644 14.710) 32.932 1.800 ( -6.328 0.246 0.136) 6.334 1.970 ( -12.019 -1.963 1.896) 12.325 2.017 ( -7.622 -1.234 -5.144) 9.278 2.218 ( -15.642 -23.397 -0.874) 28.157 2.574 ( -9.323 -0.253 1.808) 9.500 2.743 ( -10.875 -4.187 -4.091) 12.350 2.807 ( -9.806 -8.731 3.918) 13.702 2.971 ( -17.267 -2.353 0.367) 17.430 3.091 ( -6.891 -3.801 -15.300) 17.205 3.232 ( 1.782 0.048 -3.693) 4.101 3.580 ( -23.053 2.362 5.592) 23.839 3.633 ( -7.221 -0.536 1.376) 7.370 3.700 ( -21.188 0.166 -2.630) 21.351 4.042 ( 3.818 -2.656 -2.743) 5.400 4.626 ( -2.003 -0.075 -0.688) 2.119 4.663 ( -1.779 0.831 -1.822) 2.679 4.737 ( -0.422 -1.159 1.229) 1.741 6.170 ( 10.027 4.218 4.494) 11.770 6.225 ( 5.679 7.375 1.779) 9.476 6.620 ( 1.445 -6.581 7.032) 9.738 6.739 ( -10.428 -2.318 3.924) 11.380 6.901 ( 8.722 8.748 -5.939) 13.706 7.378 ( 11.655 0.623 2.809) 12.005 7.486 ( -3.552 -5.337 5.202) 8.256 7.589 ( 2.328 6.217 -9.640) 11.705 8.135 ( 14.638 -0.422 3.014) 14.951 8.199 ( 5.565 -3.169 -0.588) 6.431 8.365 ( -11.868 -1.814 5.541) 13.223 8.626 ( -9.366 2.827 -13.719) 16.850 8.888 ( 5.913 6.015 5.802) 10.238 8.947 ( 9.943 -2.247 -1.012) 10.244 9.065 ( 5.244 -2.090 1.090) 5.749 9.325 ( -2.327 7.061 5.546) 9.276 9.935 ( -12.727 0.021 0.934) 12.761 10.279 ( 6.525 -3.001 -1.480) 7.333 10.430 ( -4.448 -0.715 -6.440) 7.859 10.592 ( -7.118 2.536 -0.374) 7.566 10.753 ( -3.011 -6.598 0.265) 7.258 10.898 ( -8.753 -0.361 -0.334) 8.767 11.072 ( -5.686 -6.457 -1.024) 8.665 11.241 ( -8.918 0.276 -0.194) 8.924 11.677 ( 2.354 -5.344 -4.786) 7.550 11.988 ( -5.055 8.364 -6.833) 11.924 12.090 ( -14.496 -6.871 7.979) 17.917 12.779 ( 14.802 2.859 -0.879) 15.102 13.010 ( 18.017 -1.283 3.035) 18.316 13.419 ( -1.131 14.039 9.268) 16.860 13.787 ( -3.422 -9.518 -9.593) 13.940 14.663 ( 11.046 1.560 3.648) 11.737 15.001 ( 9.292 3.559 -1.151) 10.017 15.188 ( 13.923 4.362 1.753) 14.695 15.994 ( -26.461 -11.823 0.044) 28.982 17.688 ( 2.157 2.069 1.698) 3.437 18.009 ( 10.277 2.278 2.938) 10.929 18.097 ( -14.014 -3.115 -7.353) 16.130 19.263 ( 2.473 -0.732 0.565) 2.640 19.365 ( 2.586 2.035 1.498) 3.615 23.288 ( -23.751 -3.131 -1.660) 24.014 25.561 ( 15.459 5.886 2.214) 16.689 25.743 ( 9.410 -2.020 -1.008) 9.677 26.269 ( 2.555 0.066 0.474) 2.600 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -23.858 0.000 0.000) 23.858 1.265 ( -32.432 0.000 0.000) 32.432 1.364 ( -22.726 0.000 0.000) 22.726 1.696 ( -13.075 0.000 0.000) 13.075 1.829 ( -9.187 0.000 0.000) 9.187 1.904 ( -6.639 0.000 0.000) 6.639 2.138 ( -40.716 0.000 0.000) 40.716 2.538 ( -12.561 0.000 0.000) 12.561 2.683 ( -3.073 0.000 0.000) 3.073 2.742 ( -18.069 0.000 0.000) 18.069 2.839 ( -7.452 0.000 0.000) 7.452 2.999 ( -27.480 0.000 0.000) 27.480 3.271 ( 2.285 -0.000 -0.000) 2.285 3.459 ( -8.784 0.000 0.000) 8.784 3.629 ( -1.291 0.000 0.000) 1.291 4.103 ( 2.799 -0.000 -0.000) 2.799 4.616 ( 0.375 -0.000 -0.000) 0.375 4.655 ( 1.348 -0.000 -0.000) 1.348 4.724 ( -1.346 0.000 0.000) 1.346 6.345 ( 4.314 -0.000 -0.000) 4.314 6.433 ( 14.683 -0.000 -0.000) 14.683 6.524 ( -6.888 0.000 0.000) 6.888 6.687 ( 4.074 -0.000 -0.000) 4.074 7.185 ( 14.022 -0.000 -0.000) 14.022 7.333 ( -6.138 0.000 0.000) 6.138 7.597 ( 4.907 -0.000 -0.000) 4.907 7.634 ( 5.955 -0.000 -0.000) 5.955 8.032 ( -14.955 0.000 0.000) 14.955 8.204 ( -4.714 0.000 0.000) 4.714 8.370 ( -12.484 0.000 0.000) 12.484 8.545 ( 18.602 -0.000 -0.000) 18.602 8.971 ( 1.493 -0.000 -0.000) 1.493 9.123 ( 9.975 -0.000 -0.000) 9.975 9.186 ( 7.739 -0.000 -0.000) 7.739 9.354 ( -1.434 0.000 0.000) 1.434 9.747 ( -9.390 0.000 0.000) 9.390 10.329 ( 2.320 -0.000 -0.000) 2.320 10.346 ( -2.396 0.000 0.000) 2.396 10.490 ( -6.065 0.000 0.000) 6.065 10.655 ( -1.464 0.000 0.000) 1.464 10.764 ( -7.802 0.000 0.000) 7.802 10.958 ( -3.057 0.000 0.000) 3.057 11.101 ( -8.082 0.000 0.000) 8.082 11.668 ( -2.334 0.000 0.000) 2.334 11.885 ( -5.410 0.000 0.000) 5.410 11.951 ( -3.188 0.000 0.000) 3.188 12.999 ( 10.261 -0.000 -0.000) 10.261 13.265 ( 11.459 -0.000 -0.000) 11.459 13.565 ( -2.477 0.000 0.000) 2.477 13.600 ( -0.004 0.000 0.000) 0.004 14.846 ( 8.085 -0.000 -0.000) 8.085 15.178 ( 8.667 -0.000 -0.000) 8.667 15.485 ( 16.348 -0.000 -0.000) 16.348 15.512 ( -22.609 0.000 0.000) 22.609 17.711 ( -0.735 0.000 0.000) 0.735 17.783 ( -13.487 0.000 0.000) 13.487 18.216 ( 7.643 -0.000 -0.000) 7.643 19.300 ( 2.066 -0.000 -0.000) 2.066 19.387 ( -1.168 0.000 0.000) 1.168 22.914 ( -17.637 0.000 0.000) 17.637 25.832 ( 12.185 -0.000 -0.000) 12.185 25.890 ( 8.998 -0.000 -0.000) 8.998 26.315 ( 2.390 -0.000 -0.000) 2.390 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.000 1.414 8.607) 8.722 1.403 ( -0.000 7.399 16.939) 18.485 1.727 ( -0.000 12.441 0.924) 12.476 2.167 ( -0.000 13.246 3.266) 13.642 2.240 ( -0.000 18.474 4.855) 19.102 2.309 ( -0.000 25.635 14.363) 29.384 2.345 ( -0.000 3.723 10.228) 10.885 2.620 ( 0.000 6.201 -1.570) 6.397 2.669 ( -0.000 35.991 12.121) 37.978 2.965 ( -0.000 24.331 -2.791) 24.491 3.105 ( -0.000 3.860 19.440) 19.819 3.146 ( -0.000 4.326 4.431) 6.193 3.417 ( -0.000 5.555 22.264) 22.947 3.526 ( -0.000 9.180 1.438) 9.292 3.732 ( -0.000 2.906 6.267) 6.908 4.168 ( -0.000 -5.395 2.254) 5.847 4.570 ( -0.000 1.646 0.371) 1.687 4.597 ( 0.000 -1.522 -1.734) 2.307 4.720 ( 0.000 0.181 -1.470) 1.481 6.204 ( 0.000 -11.554 -15.178) 19.076 6.259 ( 0.000 -8.812 -12.577) 15.357 6.375 ( 0.000 0.784 -2.738) 2.848 6.596 ( -0.000 10.659 -0.915) 10.699 7.115 ( -0.000 4.655 -0.430) 4.675 7.464 ( 0.000 -12.504 -6.728) 14.199 7.470 ( 0.000 9.926 -14.075) 17.223 7.492 ( 0.000 7.404 -3.713) 8.283 7.973 ( -0.000 -6.040 20.571) 21.439 8.424 ( -0.000 -13.181 8.312) 15.583 8.495 ( -0.000 -13.702 6.662) 15.236 8.815 ( 0.000 -10.198 -13.818) 17.174 8.882 ( 0.000 -3.131 -8.049) 8.637 9.011 ( -0.000 10.503 12.853) 16.598 9.149 ( 0.000 -3.518 -7.079) 7.905 9.324 ( -0.000 6.750 11.391) 13.240 9.880 ( -0.000 8.079 5.329) 9.678 10.384 ( -0.000 0.053 4.170) 4.170 10.388 ( -0.000 9.092 -0.053) 9.093 10.585 ( -0.000 5.223 5.138) 7.327 10.736 ( -0.000 1.684 5.066) 5.339 10.746 ( -0.000 8.983 1.224) 9.066 10.978 ( 0.000 4.287 -1.405) 4.511 11.164 ( -0.000 9.220 3.166) 9.748 11.589 ( 0.000 -9.312 -7.800) 12.147 11.653 ( 0.000 0.837 -0.416) 0.935 12.280 ( -0.000 14.575 6.587) 15.994 12.953 ( 0.000 -8.546 -2.074) 8.794 13.224 ( 0.000 -14.170 -5.860) 15.334 13.426 ( 0.000 2.662 -2.695) 3.788 13.648 ( -0.000 0.489 3.275) 3.311 14.625 ( 0.000 -9.924 -8.947) 13.361 14.898 ( 0.000 -12.860 -9.098) 15.753 15.305 ( 0.000 -12.742 -8.491) 15.312 15.694 ( -0.000 28.416 -1.345) 28.448 17.835 ( -0.000 8.906 4.583) 10.016 17.976 ( -0.000 -5.305 8.116) 9.696 18.277 ( -0.000 -0.443 8.788) 8.800 19.262 ( 0.000 -1.715 -3.340) 3.755 19.314 ( 0.000 -0.417 -4.029) 4.051 23.111 ( -0.000 24.174 10.046) 26.179 25.739 ( 0.000 -15.600 -2.588) 15.814 25.832 ( 0.000 -8.114 -0.955) 8.170 26.205 ( 0.000 -2.920 -4.765) 5.588 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 13.917 0.210 2.691) 14.176 1.621 ( 11.595 3.653 10.584) 16.119 1.908 ( 7.368 5.643 1.578) 9.414 2.192 ( -7.479 13.781 -0.360) 15.684 2.383 ( -21.392 25.683 11.220) 35.258 2.427 ( 0.438 5.011 2.291) 5.527 2.535 ( 5.445 11.046 11.411) 16.789 2.653 ( 2.711 4.421 -1.338) 5.356 3.000 ( 1.278 9.870 5.535) 11.388 3.156 ( -1.104 9.017 5.963) 10.866 3.213 ( -0.766 -0.265 6.817) 6.865 3.471 ( 8.796 20.899 5.972) 23.448 3.579 ( 0.302 8.889 2.085) 9.136 3.819 ( 1.941 8.829 4.811) 10.240 3.864 ( 11.407 11.056 25.765) 30.269 4.090 ( -0.816 -5.981 1.967) 6.349 4.547 ( 0.629 -1.760 -2.339) 2.994 4.667 ( 5.280 -0.202 -1.195) 5.417 4.715 ( 1.955 -0.262 -0.087) 1.975 6.045 ( 2.199 -4.866 -15.224) 16.133 6.089 ( 0.440 -8.208 -5.969) 10.158 6.347 ( -3.611 2.579 -1.279) 4.618 6.726 ( 3.018 13.451 -0.816) 13.809 7.135 ( -2.767 3.751 -6.218) 7.771 7.221 ( -5.714 -12.685 -7.903) 16.000 7.374 ( -4.562 2.892 4.610) 7.101 7.625 ( 3.339 10.896 -14.267) 18.260 8.094 ( 3.346 -8.438 19.866) 21.841 8.214 ( -5.234 -19.820 2.807) 20.691 8.452 ( -3.019 -6.486 8.328) 10.979 8.615 ( -0.564 -6.738 -10.187) 12.227 8.802 ( 4.491 -8.470 -10.949) 14.553 9.023 ( -3.432 -2.488 -7.904) 8.969 9.219 ( -1.227 11.978 10.491) 15.970 9.347 ( -10.514 5.978 8.826) 14.972 10.087 ( 4.392 11.133 5.101) 13.009 10.341 ( -2.168 -3.172 5.883) 7.026 10.549 ( 4.462 6.399 0.808) 7.843 10.667 ( -0.132 6.949 2.711) 7.461 10.807 ( -0.849 3.604 7.301) 8.186 10.887 ( 3.441 4.558 2.785) 6.354 11.055 ( 5.062 10.351 0.428) 11.530 11.310 ( 2.727 8.075 4.275) 9.535 11.494 ( 6.219 -7.545 -6.907) 11.971 11.725 ( 8.713 0.308 -0.864) 8.761 12.411 ( -3.852 11.113 0.444) 11.770 12.802 ( -8.207 -7.922 -1.117) 11.461 12.946 ( -7.501 -15.735 -1.166) 17.471 13.430 ( -2.940 4.995 -3.487) 6.764 13.762 ( 9.894 -0.130 2.674) 10.249 14.412 ( -4.899 -11.561 -9.752) 15.898 14.775 ( 6.449 -12.098 -8.154) 15.951 15.069 ( -4.683 -12.547 -8.651) 15.944 16.008 ( 5.199 28.990 0.094) 29.453 17.840 ( -6.435 -8.641 3.802) 11.425 17.983 ( -0.351 0.368 2.531) 2.581 18.390 ( 1.784 7.471 13.930) 15.907 19.193 ( -1.850 -2.708 -4.851) 5.855 19.279 ( 0.090 -1.643 -4.661) 4.943 23.517 ( 8.381 25.711 13.489) 30.220 25.497 ( -6.120 -17.060 -6.067) 19.113 25.706 ( -4.008 -8.863 -0.482) 9.739 26.163 ( 1.652 -2.375 -3.592) 4.613 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 1.671 2.359 1.267) 3.156 1.912 ( 9.763 0.711 2.376) 10.073 2.036 ( 3.205 1.492 2.433) 4.291 2.206 ( -5.621 12.831 -5.398) 15.012 2.336 ( -21.154 21.958 14.031) 33.564 2.482 ( -1.326 4.708 4.190) 6.441 2.749 ( 8.606 2.257 1.861) 9.090 2.812 ( 4.088 9.682 1.113) 10.569 3.107 ( 1.834 2.367 6.571) 7.221 3.182 ( -2.666 -5.781 6.697) 9.240 3.310 ( -0.865 9.395 5.898) 11.127 3.578 ( -1.521 2.880 1.317) 3.513 3.688 ( -3.423 -1.514 1.396) 3.995 3.758 ( -4.940 -1.367 1.669) 5.391 4.093 ( -5.336 0.615 1.035) 5.471 4.360 ( 9.939 15.576 2.491) 18.644 4.604 ( 9.827 0.019 2.461) 10.130 4.693 ( 2.499 -1.575 -0.450) 2.988 4.784 ( 2.207 -0.428 1.867) 2.922 5.953 ( 0.229 -1.196 -5.736) 5.864 6.101 ( 10.331 -3.587 -1.922) 11.104 6.288 ( -9.383 8.202 1.924) 12.610 6.939 ( 8.326 5.382 -2.525) 10.231 6.989 ( -1.915 -2.601 -6.671) 7.412 7.038 ( -5.786 4.390 -5.864) 9.335 7.402 ( 0.737 -1.302 5.540) 5.739 7.626 ( -2.461 4.380 -10.829) 11.938 7.886 ( -9.822 -14.132 3.001) 17.470 8.239 ( 3.078 -6.101 10.805) 12.784 8.381 ( 2.601 -6.637 -0.567) 7.151 8.555 ( -0.684 -3.193 3.191) 4.565 8.725 ( 2.455 -6.389 -0.826) 6.894 8.933 ( 1.587 0.627 -11.486) 11.612 9.228 ( -10.475 5.401 0.147) 11.787 9.373 ( -3.246 7.763 9.732) 12.865 10.129 ( -3.058 -2.076 1.323) 3.926 10.452 ( 0.413 12.357 6.012) 13.748 10.601 ( -1.159 -2.217 -0.221) 2.512 10.696 ( -2.671 2.461 -0.432) 3.657 10.870 ( -4.896 8.965 5.433) 11.570 10.945 ( 4.128 -5.559 1.431) 7.070 11.309 ( 2.145 12.237 2.654) 12.704 11.462 ( 3.485 9.001 6.349) 11.553 11.602 ( 17.190 -1.575 -4.440) 17.823 11.933 ( 16.242 -1.334 0.043) 16.297 12.318 ( -9.032 -0.606 -8.603) 12.489 12.471 ( -10.810 -14.317 -7.452) 19.425 12.778 ( -8.326 -4.794 10.182) 13.999 13.418 ( -5.352 11.336 1.289) 12.602 13.975 ( 13.850 -0.439 0.779) 13.879 14.141 ( -5.341 -11.763 -8.653) 15.549 14.744 ( 6.006 -10.364 -4.247) 12.710 14.856 ( -0.950 -4.563 -7.829) 9.111 16.424 ( 12.555 24.659 1.173) 27.696 17.544 ( -11.675 -21.592 0.218) 24.547 17.972 ( -6.263 4.215 5.324) 9.238 18.626 ( 2.977 8.285 10.507) 13.708 19.095 ( -0.666 -1.812 -8.014) 8.243 19.227 ( -0.086 -2.647 -2.333) 3.530 23.985 ( 4.790 22.886 13.115) 26.808 25.167 ( -6.842 -14.016 -7.894) 17.480 25.560 ( -1.798 -9.097 -0.499) 9.286 26.160 ( 2.296 -1.326 -2.017) 3.331 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.825 3.125 -0.007) 3.232 1.960 ( -4.025 0.562 3.354) 5.270 2.121 ( 0.601 4.816 0.320) 4.864 2.151 ( -8.386 8.976 -4.055) 12.936 2.285 ( -16.389 13.872 9.297) 23.397 2.523 ( -4.536 4.487 4.706) 7.928 2.835 ( -6.298 2.502 -1.975) 7.059 2.942 ( 8.505 -0.403 1.589) 8.662 3.073 ( -8.013 -6.914 1.467) 10.685 3.136 ( -4.874 -5.589 7.178) 10.321 3.362 ( -5.467 4.963 1.571) 7.549 3.524 ( -6.213 -4.215 1.018) 7.577 3.597 ( -0.892 0.566 -2.381) 2.605 3.719 ( 1.851 -3.315 -1.460) 4.068 3.916 ( -7.924 -0.280 -6.193) 10.061 4.554 ( 1.078 8.856 -1.272) 9.012 4.680 ( 1.805 -3.810 -0.527) 4.249 4.754 ( -4.632 -0.118 2.231) 5.143 4.764 ( -2.099 -1.457 0.823) 2.684 5.960 ( 3.160 0.594 -0.034) 3.215 6.221 ( -7.430 10.133 4.645) 13.396 6.339 ( 15.007 -0.879 3.702) 15.482 6.854 ( -8.585 2.881 -6.443) 11.114 6.958 ( 10.406 -7.289 -4.063) 13.339 7.197 ( -3.329 11.260 -0.838) 11.772 7.434 ( 4.400 -3.902 3.219) 6.705 7.493 ( 3.640 -5.822 -3.483) 7.699 7.717 ( -5.389 0.180 -1.071) 5.498 8.235 ( -1.257 -2.855 0.070) 3.120 8.464 ( 10.482 -1.024 1.445) 10.630 8.575 ( 1.362 -4.283 10.569) 11.485 8.754 ( 1.888 0.096 3.122) 3.650 8.898 ( 1.833 1.455 -10.595) 10.851 9.079 ( -9.393 0.465 -1.362) 9.503 9.434 ( -3.622 6.169 4.594) 8.502 10.094 ( 1.591 -2.488 0.942) 3.100 10.402 ( -12.505 1.116 -1.024) 12.596 10.607 ( -5.184 0.982 -4.402) 6.872 10.693 ( 4.217 4.074 4.601) 7.453 10.848 ( -5.435 0.976 1.086) 5.628 10.984 ( 0.871 -1.302 3.062) 3.439 11.366 ( -5.779 8.125 1.063) 10.027 11.521 ( -9.491 2.737 2.558) 10.203 11.769 ( -1.833 -8.823 -6.691) 11.224 12.103 ( 4.816 -6.554 -2.949) 8.651 12.192 ( 13.999 -1.129 -3.031) 14.368 12.349 ( 11.740 4.342 -1.435) 12.600 12.616 ( -12.967 -4.297 6.097) 14.959 13.503 ( -3.830 14.664 7.451) 16.888 13.889 ( -2.894 -11.991 -9.908) 15.821 14.227 ( 14.318 0.119 2.143) 14.478 14.705 ( 5.550 -5.317 -3.356) 8.387 14.889 ( 6.863 1.899 -1.843) 7.356 16.756 ( -8.741 10.315 1.184) 13.572 17.221 ( 8.884 -13.820 -0.862) 16.452 17.945 ( -5.040 3.144 4.256) 7.307 18.616 ( -12.760 -0.705 0.027) 12.779 19.137 ( 7.226 4.711 -2.156) 8.892 19.211 ( 2.922 -3.283 0.127) 4.397 24.095 ( -19.336 7.061 4.187) 21.006 25.075 ( 11.202 -0.452 -1.560) 11.319 25.492 ( 3.700 -6.496 -0.896) 7.529 26.183 ( 2.591 -0.454 -0.726) 2.729 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -5.391 0.000 0.000) 5.391 1.875 ( -8.652 0.000 0.000) 8.652 2.045 ( -10.934 0.000 0.000) 10.934 2.127 ( -4.056 0.000 0.000) 4.056 2.147 ( -16.054 0.000 0.000) 16.054 2.338 ( -18.813 0.000 0.000) 18.813 2.683 ( -5.809 0.000 0.000) 5.809 2.868 ( -8.214 0.000 0.000) 8.214 3.009 ( -11.529 0.000 0.000) 11.529 3.081 ( 2.970 -0.000 -0.000) 2.970 3.229 ( -9.076 0.000 0.000) 9.076 3.236 ( -16.569 0.000 0.000) 16.569 3.637 ( 1.888 -0.000 -0.000) 1.888 3.773 ( -8.285 0.000 0.000) 8.285 3.844 ( 11.720 -0.000 -0.000) 11.720 4.340 ( -31.607 0.000 0.000) 31.607 4.663 ( -2.993 0.000 0.000) 2.993 4.700 ( 1.421 -0.000 -0.000) 1.421 4.721 ( -1.546 0.000 0.000) 1.546 6.055 ( 7.265 -0.000 -0.000) 7.265 6.222 ( 0.013 -0.000 -0.000) 0.013 6.651 ( 17.930 -0.000 -0.000) 17.930 6.684 ( -7.740 0.000 0.000) 7.740 6.988 ( -16.924 0.000 0.000) 16.924 7.144 ( 15.163 -0.000 -0.000) 15.163 7.516 ( 4.708 -0.000 -0.000) 4.708 7.607 ( -7.665 0.000 0.000) 7.665 7.757 ( 23.651 -0.000 -0.000) 23.651 8.193 ( -1.655 0.000 0.000) 1.655 8.567 ( -6.655 0.000 0.000) 6.655 8.663 ( 8.088 -0.000 -0.000) 8.088 8.772 ( 0.357 -0.000 -0.000) 0.357 8.909 ( 2.948 -0.000 -0.000) 2.948 8.971 ( -0.130 0.000 0.000) 0.130 9.428 ( -3.094 0.000 0.000) 3.094 10.152 ( 5.816 -0.000 -0.000) 5.816 10.171 ( -14.371 0.000 0.000) 14.371 10.489 ( -5.997 0.000 0.000) 5.997 10.739 ( -7.869 0.000 0.000) 7.869 10.783 ( -1.158 0.000 0.000) 1.158 10.963 ( -1.552 0.000 0.000) 1.552 11.216 ( -15.044 0.000 0.000) 15.044 11.389 ( -7.376 0.000 0.000) 7.376 11.602 ( -1.718 0.000 0.000) 1.718 12.065 ( -2.770 0.000 0.000) 2.770 12.356 ( -16.606 0.000 0.000) 16.606 12.510 ( 18.852 -0.000 -0.000) 18.852 12.682 ( 21.247 -0.000 -0.000) 21.247 13.624 ( -2.261 0.000 0.000) 2.261 13.682 ( -2.795 0.000 0.000) 2.795 14.473 ( 13.736 -0.000 -0.000) 13.736 14.816 ( 11.348 -0.000 -0.000) 11.348 15.032 ( 9.081 -0.000 -0.000) 9.081 16.389 ( -27.420 0.000 0.000) 27.420 17.520 ( 20.162 -0.000 -0.000) 20.162 17.931 ( 0.352 -0.000 -0.000) 0.352 18.335 ( -17.660 0.000 0.000) 17.660 19.218 ( 2.477 -0.000 -0.000) 2.477 19.307 ( 6.593 -0.000 -0.000) 6.593 23.707 ( -27.459 0.000 0.000) 27.459 25.341 ( 16.218 -0.000 -0.000) 16.218 25.559 ( 8.738 -0.000 -0.000) 8.738 26.224 ( 2.826 -0.000 -0.000) 2.826 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 0.199 3.782) 3.787 1.680 ( -0.000 1.678 11.368) 11.492 1.899 ( -0.000 4.517 0.917) 4.609 2.313 ( 0.000 1.765 -6.766) 6.992 2.444 ( -0.000 10.404 4.266) 11.245 2.623 ( -0.000 1.862 2.829) 3.386 2.650 ( -0.000 7.199 7.875) 10.669 2.899 ( 0.000 8.846 -1.536) 8.978 3.124 ( -0.000 9.500 3.724) 10.204 3.243 ( -0.000 13.002 2.138) 13.177 3.306 ( -0.000 6.887 1.150) 6.982 3.619 ( -0.000 12.587 2.978) 12.934 3.841 ( -0.000 16.060 19.348) 25.145 3.952 ( -0.000 11.562 4.880) 12.550 3.963 ( -0.000 7.692 25.918) 27.036 4.006 ( 0.000 -10.524 -0.909) 10.563 4.537 ( 0.000 -0.659 -5.251) 5.292 4.581 ( -0.000 -4.652 4.714) 6.622 4.665 ( 0.000 -0.237 -6.630) 6.634 5.872 ( 0.000 -4.896 -9.754) 10.914 5.975 ( 0.000 -4.683 -8.448) 9.659 6.373 ( 0.000 2.381 -1.306) 2.716 6.835 ( -0.000 13.664 -0.152) 13.665 7.091 ( 0.000 -12.528 -7.363) 14.531 7.163 ( 0.000 2.286 -2.021) 3.051 7.458 ( 0.000 4.835 -7.978) 9.329 7.609 ( 0.000 5.088 -0.935) 5.173 8.077 ( 0.000 -18.943 2.392) 19.093 8.146 ( -0.000 -5.244 19.722) 20.407 8.399 ( 0.000 -11.807 -7.914) 14.213 8.579 ( -0.000 -0.520 8.021) 8.038 8.585 ( 0.000 -4.035 -15.760) 16.269 8.956 ( 0.000 -4.241 -8.812) 9.779 9.398 ( -0.000 8.174 8.761) 11.982 9.614 ( -0.000 6.344 8.763) 10.818 10.134 ( -0.000 9.610 3.507) 10.229 10.458 ( -0.000 -1.373 12.230) 12.307 10.506 ( -0.000 3.273 1.002) 3.423 10.694 ( 0.000 2.302 -1.882) 2.974 10.942 ( -0.000 3.036 2.080) 3.680 10.964 ( -0.000 9.695 9.483) 13.562 11.064 ( 0.000 2.717 -8.793) 9.203 11.381 ( -0.000 6.376 -0.230) 6.380 11.419 ( -0.000 8.960 7.793) 11.875 11.638 ( 0.000 -0.592 -1.196) 1.334 12.464 ( 0.000 -1.006 -8.451) 8.511 12.811 ( 0.000 -18.094 -7.603) 19.627 12.891 ( -0.000 0.657 10.791) 10.811 13.434 ( 0.000 2.928 -3.901) 4.878 13.730 ( -0.000 4.369 3.054) 5.331 14.287 ( 0.000 -12.389 -7.516) 14.490 14.531 ( 0.000 -10.642 -7.969) 13.295 14.914 ( 0.000 -13.448 -7.989) 15.642 16.271 ( -0.000 31.137 -0.824) 31.148 17.755 ( 0.000 -19.389 0.688) 19.402 18.089 ( -0.000 9.961 3.717) 10.632 18.531 ( -0.000 4.422 14.987) 15.626 19.158 ( 0.000 -1.946 -6.400) 6.689 19.212 ( 0.000 -3.508 -4.195) 5.469 23.816 ( -0.000 29.096 15.716) 33.069 25.288 ( 0.000 -23.251 -8.858) 24.881 25.684 ( 0.000 -5.533 -0.552) 5.560 26.100 ( 0.000 -2.005 -2.730) 3.387 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 13.069 -0.495 0.185) 13.080 1.791 ( 6.172 0.952 5.901) 8.592 1.983 ( 4.643 1.062 0.973) 4.861 2.268 ( -1.685 1.666 -4.512) 5.096 2.573 ( 1.266 7.590 3.740) 8.556 2.669 ( 1.856 0.293 1.682) 2.522 2.754 ( -0.537 1.262 1.731) 2.208 2.887 ( -0.430 6.850 -0.469) 6.880 3.214 ( -2.054 5.817 2.790) 6.771 3.281 ( -9.870 10.829 3.599) 15.088 3.385 ( 2.115 2.121 1.525) 3.361 3.718 ( -0.274 2.393 0.458) 2.452 3.760 ( -10.404 -7.624 -1.043) 12.940 3.919 ( -10.602 3.946 17.347) 20.710 4.163 ( 1.358 7.888 -1.334) 8.115 4.382 ( -0.486 4.262 -1.745) 4.632 4.447 ( 13.757 3.303 8.030) 16.268 4.627 ( 3.029 -2.874 1.417) 4.410 4.682 ( 7.926 -1.716 -4.203) 9.134 5.839 ( 6.120 -1.544 -5.484) 8.361 5.916 ( 3.200 -2.774 -2.972) 5.174 6.431 ( 3.394 5.806 1.102) 6.815 6.840 ( -7.178 -10.242 -3.915) 13.105 7.013 ( 3.015 11.411 -2.413) 12.047 7.142 ( -3.454 2.240 -2.244) 4.689 7.435 ( -1.356 1.083 -0.257) 1.754 7.613 ( -1.893 -2.655 -2.836) 4.322 7.917 ( -4.745 -7.263 1.888) 8.879 8.232 ( 1.607 -7.187 9.161) 11.754 8.267 ( 1.037 -2.275 -0.813) 2.629 8.510 ( 7.144 -4.308 -11.072) 13.863 8.626 ( -2.209 0.694 7.987) 8.316 8.853 ( -0.082 -1.962 -8.182) 8.414 9.484 ( -5.352 5.463 2.589) 8.074 9.555 ( -10.963 2.518 5.933) 12.718 10.207 ( -5.389 0.388 0.217) 5.407 10.481 ( 4.954 5.603 4.785) 8.879 10.661 ( -2.573 2.010 -0.414) 3.292 10.721 ( 2.646 -1.760 5.003) 5.927 10.924 ( -3.991 -0.266 0.589) 4.043 11.069 ( 5.761 4.188 2.781) 7.646 11.145 ( 14.581 1.351 -5.324) 15.581 11.458 ( -3.653 11.433 3.406) 12.477 11.631 ( 3.837 10.467 9.105) 14.394 11.694 ( 8.057 -1.749 -2.111) 8.511 12.337 ( -2.858 -4.634 -7.944) 9.631 12.464 ( -12.999 -15.613 -6.771) 21.415 12.940 ( -5.116 0.533 7.351) 8.972 13.512 ( 6.483 5.427 -1.032) 8.518 13.831 ( 3.341 5.606 1.842) 6.782 14.066 ( -5.218 -12.226 -5.345) 14.328 14.494 ( 8.825 -6.230 -4.001) 11.520 14.752 ( -0.384 -6.976 -5.263) 8.747 16.559 ( 3.190 23.747 0.114) 23.960 17.507 ( -7.805 -18.864 0.059) 20.415 18.144 ( -5.131 4.711 2.908) 7.549 18.717 ( 5.502 6.153 11.278) 13.976 19.042 ( -4.162 -3.542 -7.513) 9.291 19.177 ( 1.149 -2.236 -2.617) 3.629 24.253 ( 4.411 28.257 15.448) 32.505 24.967 ( -1.154 -24.739 -11.939) 27.494 25.579 ( -6.188 -3.418 -0.219) 7.073 26.095 ( 2.439 -0.955 -1.243) 2.899 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 4.452 -0.000 -0.000) 4.452 1.950 ( 6.494 -0.000 -0.000) 6.494 2.072 ( 5.255 -0.000 -0.000) 5.255 2.223 ( -2.988 0.000 0.000) 2.988 2.594 ( -7.013 0.000 0.000) 7.013 2.709 ( -3.223 0.000 0.000) 3.223 2.767 ( 8.820 -0.000 -0.000) 8.820 3.017 ( 6.082 -0.000 -0.000) 6.082 3.083 ( -18.183 0.000 0.000) 18.183 3.223 ( -3.208 0.000 0.000) 3.208 3.421 ( -0.485 0.000 0.000) 0.485 3.597 ( -0.325 0.000 0.000) 0.325 3.681 ( -7.097 0.000 0.000) 7.097 3.801 ( -14.572 0.000 0.000) 14.572 4.023 ( -9.017 0.000 0.000) 9.017 4.482 ( 8.870 -0.000 -0.000) 8.870 4.643 ( 1.410 -0.000 -0.000) 1.410 4.724 ( 5.455 -0.000 -0.000) 5.455 4.780 ( 5.744 -0.000 -0.000) 5.744 5.901 ( 3.590 -0.000 -0.000) 3.590 6.052 ( 15.395 -0.000 -0.000) 15.395 6.525 ( -15.707 0.000 0.000) 15.707 6.652 ( 13.260 -0.000 -0.000) 13.260 7.042 ( -9.449 0.000 0.000) 9.449 7.180 ( 9.584 -0.000 -0.000) 9.584 7.433 ( 0.218 -0.000 -0.000) 0.218 7.476 ( -8.978 0.000 0.000) 8.978 7.803 ( -5.799 0.000 0.000) 5.799 8.260 ( -2.516 0.000 0.000) 2.516 8.290 ( 8.246 -0.000 -0.000) 8.246 8.611 ( -2.217 0.000 0.000) 2.217 8.623 ( 11.223 -0.000 -0.000) 11.223 8.835 ( 1.854 -0.000 -0.000) 1.854 9.294 ( -14.664 0.000 0.000) 14.664 9.528 ( -2.242 0.000 0.000) 2.242 10.106 ( -4.276 0.000 0.000) 4.276 10.562 ( -7.786 0.000 0.000) 7.786 10.659 ( 7.546 -0.000 -0.000) 7.546 10.687 ( -4.481 0.000 0.000) 4.481 10.850 ( -3.217 0.000 0.000) 3.217 11.117 ( -5.334 0.000 0.000) 5.334 11.492 ( -2.210 0.000 0.000) 2.210 11.510 ( 21.085 -0.000 -0.000) 21.085 11.758 ( -1.679 0.000 0.000) 1.679 11.829 ( 10.894 -0.000 -0.000) 10.894 12.101 ( -8.758 0.000 0.000) 8.758 12.271 ( 0.275 -0.000 -0.000) 0.275 12.828 ( -10.842 0.000 0.000) 10.842 13.677 ( 5.101 -0.000 -0.000) 5.101 13.804 ( -8.255 0.000 0.000) 8.255 14.017 ( 10.571 -0.000 -0.000) 10.571 14.578 ( 5.429 -0.000 -0.000) 5.429 14.754 ( 6.989 -0.000 -0.000) 6.989 16.828 ( 13.453 -0.000 -0.000) 13.453 17.175 ( -17.735 0.000 0.000) 17.735 18.074 ( -6.420 0.000 0.000) 6.420 18.829 ( -11.097 0.000 0.000) 11.097 18.981 ( 11.575 -0.000 -0.000) 11.575 19.168 ( 0.514 -0.000 -0.000) 0.514 24.476 ( -14.914 0.000 0.000) 14.914 24.809 ( 14.540 -0.000 -0.000) 14.540 25.461 ( -4.095 0.000 0.000) 4.095 26.132 ( 2.812 -0.000 -0.000) 2.812 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 0.000) 0.000 1.945 ( -0.000 0.000 0.000) 0.000 2.270 ( -0.000 0.000 0.000) 0.000 2.583 ( -0.000 -0.000 0.000) 0.000 2.708 ( -0.000 0.000 0.000) 0.000 2.770 ( -0.000 0.000 0.000) 0.000 2.859 ( -0.000 -0.000 0.000) 0.000 3.259 ( -0.000 0.000 0.000) 0.000 3.355 ( -0.000 -0.000 0.000) 0.000 3.550 ( 0.000 -0.000 0.000) 0.000 3.718 ( -0.000 -0.000 0.000) 0.000 3.770 ( -0.000 0.000 0.000) 0.000 4.098 ( -0.000 -0.000 0.000) 0.000 4.342 ( 0.000 0.000 -0.000) 0.000 4.361 ( 0.000 -0.000 -0.000) 0.000 4.410 ( -0.000 0.000 0.000) 0.000 4.438 ( -0.000 0.000 0.000) 0.000 4.606 ( -0.000 0.000 0.000) 0.000 5.752 ( -0.000 0.000 0.000) 0.000 5.867 ( -0.000 0.000 0.000) 0.000 6.409 ( -0.000 0.000 0.000) 0.000 6.858 ( -0.000 0.000 0.000) 0.000 7.040 ( -0.000 0.000 0.000) 0.000 7.167 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 -0.000 0.000) 0.000 7.611 ( -0.000 0.000 0.000) 0.000 7.935 ( -0.000 -0.000 0.000) 0.000 8.171 ( -0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 -0.000) 0.000 8.348 ( -0.000 -0.000 0.000) 0.000 8.701 ( -0.000 0.000 0.000) 0.000 8.794 ( -0.000 0.000 0.000) 0.000 9.540 ( -0.000 0.000 0.000) 0.000 9.744 ( -0.000 0.000 0.000) 0.000 10.243 ( -0.000 0.000 0.000) 0.000 10.550 ( 0.000 -0.000 0.000) 0.000 10.692 ( -0.000 0.000 0.000) 0.000 10.740 ( 0.000 -0.000 -0.000) 0.000 10.756 ( -0.000 0.000 0.000) 0.000 10.974 ( -0.000 0.000 0.000) 0.000 11.155 ( -0.000 0.000 0.000) 0.000 11.580 ( 0.000 -0.000 0.000) 0.000 11.637 ( 0.000 -0.000 -0.000) 0.000 11.668 ( -0.000 0.000 0.000) 0.000 12.288 ( -0.000 -0.000 0.000) 0.000 12.487 ( -0.000 0.000 0.000) 0.000 13.020 ( -0.000 0.000 0.000) 0.000 13.434 ( -0.000 0.000 0.000) 0.000 13.889 ( -0.000 0.000 0.000) 0.000 14.017 ( -0.000 -0.000 0.000) 0.000 14.359 ( -0.000 0.000 0.000) 0.000 14.699 ( -0.000 0.000 0.000) 0.000 16.665 ( -0.000 -0.000 0.000) 0.000 17.474 ( -0.000 0.000 0.000) 0.000 18.232 ( -0.000 0.000 0.000) 0.000 18.720 ( 0.000 -0.000 -0.000) 0.000 19.061 ( -0.000 0.000 0.000) 0.000 19.129 ( -0.000 0.000 0.000) 0.000 24.528 ( -0.000 0.000 0.000) 0.000 24.687 ( 0.000 -0.000 -0.000) 0.000 25.624 ( -0.000 0.000 0.000) 0.000 26.061 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.000 -0.000 27.694) 27.694 0.684 ( -0.000 -0.000 27.694) 27.694 1.007 ( -0.000 -0.000 2.167) 2.167 1.298 ( -0.000 -0.000 59.499) 59.499 1.484 ( -0.000 -0.000 4.373) 4.373 1.484 ( -0.000 -0.000 4.373) 4.373 2.011 ( -0.000 -0.000 17.629) 17.629 2.011 ( -0.000 -0.000 17.629) 17.629 2.523 ( 0.000 0.000 -0.781) 0.781 2.767 ( -0.000 -0.000 13.330) 13.330 2.767 ( -0.000 -0.000 13.330) 13.330 2.927 ( -0.000 -0.000 7.710) 7.710 3.330 ( -0.000 -0.000 2.788) 2.788 3.330 ( -0.000 -0.000 2.788) 2.788 3.736 ( -0.000 -0.000 3.700) 3.700 4.170 ( -0.000 -0.000 3.355) 3.355 4.170 ( -0.000 -0.000 3.355) 3.355 4.708 ( -0.000 -0.000 0.161) 0.161 4.708 ( 0.000 0.000 0.161) 0.161 6.290 ( 0.000 0.000 -6.136) 6.136 6.384 ( 0.000 0.000 -0.712) 0.712 6.770 ( 0.000 0.000 -33.564) 33.564 6.796 ( 0.000 0.000 -5.270) 5.270 6.796 ( 0.000 0.000 -5.270) 5.270 7.229 ( 0.000 0.000 -9.865) 9.865 7.229 ( 0.000 0.000 -9.865) 9.865 7.931 ( 0.000 0.000 -4.786) 4.786 8.094 ( -0.000 -0.000 27.171) 27.171 8.374 ( -0.000 -0.000 20.156) 20.156 8.374 ( -0.000 -0.000 20.156) 20.156 8.908 ( 0.000 0.000 -1.953) 1.953 9.098 ( 0.000 0.000 -11.910) 11.910 9.214 ( 0.000 0.000 -10.325) 10.325 9.214 ( 0.000 0.000 -10.325) 10.325 9.643 ( -0.000 -0.000 6.017) 6.017 9.643 ( -0.000 -0.000 6.017) 6.017 9.740 ( -0.000 -0.000 12.638) 12.638 10.363 ( -0.000 -0.000 2.940) 2.940 10.363 ( -0.000 -0.000 2.940) 2.940 10.683 ( -0.000 -0.000 0.302) 0.302 10.683 ( -0.000 -0.000 0.302) 0.302 10.899 ( 0.000 0.000 -0.819) 0.819 10.899 ( 0.000 0.000 -0.819) 0.819 11.574 ( -0.000 -0.000 6.537) 6.537 11.889 ( 0.000 0.000 -1.799) 1.799 11.889 ( 0.000 0.000 -1.799) 1.799 13.101 ( 0.000 0.000 -6.030) 6.030 13.522 ( -0.000 -0.000 4.639) 4.639 13.556 ( 0.000 0.000 -4.278) 4.278 13.556 ( 0.000 0.000 -4.278) 4.278 14.939 ( 0.000 0.000 -4.047) 4.047 15.081 ( 0.000 0.000 -1.134) 1.134 15.267 ( 0.000 0.000 -6.872) 6.872 15.267 ( 0.000 0.000 -6.872) 6.872 17.814 ( -0.000 -0.000 10.869) 10.869 17.814 ( -0.000 -0.000 10.869) 10.869 18.314 ( -0.000 -0.000 0.056) 0.056 19.321 ( 0.000 0.000 -1.574) 1.574 19.321 ( 0.000 0.000 -1.574) 1.574 22.366 ( -0.000 -0.000 10.991) 10.991 26.048 ( 0.000 0.000 -0.380) 0.380 26.048 ( 0.000 0.000 -0.380) 0.380 26.314 ( 0.000 0.000 -4.283) 4.283 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -1.572 -0.907 15.929) 16.032 1.297 ( 18.253 10.539 24.577) 32.377 1.361 ( 26.421 15.254 2.975) 30.653 1.618 ( 8.402 4.851 5.237) 11.025 1.666 ( 9.365 5.407 17.592) 20.650 2.033 ( 31.783 18.350 13.276) 39.028 2.115 ( -0.938 -0.541 19.825) 19.855 2.288 ( 10.794 6.232 15.269) 19.710 2.556 ( 3.516 2.030 -1.231) 4.243 2.791 ( -0.980 -0.566 11.942) 11.996 2.829 ( -2.861 -1.652 10.495) 11.002 3.208 ( 14.694 8.483 20.097) 26.301 3.347 ( -0.777 -0.449 3.902) 4.004 3.388 ( 2.447 1.412 6.909) 7.464 3.723 ( -0.476 -0.275 5.793) 5.819 4.158 ( -1.733 -1.001 2.885) 3.511 4.480 ( 12.666 7.313 -0.888) 14.653 4.652 ( -1.941 -1.120 -2.134) 3.094 4.735 ( 0.296 0.171 2.259) 2.285 6.278 ( 0.264 0.152 -6.998) 7.005 6.417 ( -9.962 -5.752 -22.188) 24.993 6.421 ( 4.027 2.325 -1.085) 4.775 6.526 ( -5.584 -3.224 -13.956) 15.374 6.979 ( 8.807 5.085 -20.524) 22.905 7.132 ( -0.972 -0.561 12.193) 12.244 7.351 ( 8.142 4.701 -12.817) 15.896 7.721 ( -11.834 -6.833 -4.038) 14.249 8.205 ( -2.419 -1.396 25.870) 26.021 8.530 ( -0.232 -0.134 14.452) 14.455 8.644 ( 7.875 4.547 16.334) 18.694 8.786 ( -9.040 -5.219 -2.811) 10.810 8.982 ( -5.379 -3.106 -11.508) 13.078 9.053 ( -1.512 -0.873 -5.148) 5.435 9.161 ( -0.717 -0.414 -10.831) 10.862 9.323 ( -13.477 -7.781 8.023) 17.509 9.676 ( 1.847 1.066 6.223) 6.578 10.265 ( 16.372 9.452 -0.343) 18.908 10.401 ( 4.449 2.569 5.546) 7.560 10.484 ( 1.051 0.607 4.246) 4.416 10.674 ( 0.146 0.084 0.933) 0.948 10.686 ( 2.922 1.687 0.759) 3.458 10.945 ( 4.344 2.508 1.443) 5.220 10.982 ( 6.481 3.742 -0.426) 7.496 11.646 ( 2.618 1.512 0.962) 3.173 11.857 ( 1.450 0.837 2.408) 2.933 11.930 ( 1.433 0.827 0.039) 1.655 12.997 ( -4.758 -2.747 -9.766) 11.205 13.372 ( -7.726 -4.461 6.201) 10.865 13.452 ( -6.468 -3.734 -5.462) 9.253 13.709 ( 8.380 4.838 -2.241) 9.933 14.786 ( -7.020 -4.053 -6.952) 10.679 15.143 ( -3.486 -2.013 -6.563) 7.699 15.249 ( 12.729 7.349 -3.083) 15.018 15.359 ( 3.979 2.297 -13.200) 13.977 17.808 ( -3.912 -2.259 10.688) 11.604 17.940 ( 2.969 1.714 15.544) 15.917 18.291 ( -2.785 -1.608 0.265) 3.226 19.297 ( -0.964 -0.557 -1.896) 2.199 19.305 ( 0.015 0.009 -3.632) 3.632 22.704 ( 17.972 10.376 8.833) 22.554 25.937 ( -8.908 -5.143 -1.992) 10.477 26.003 ( -4.189 -2.419 -0.122) 4.839 26.265 ( -0.906 -0.523 -4.704) 4.819 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -5.758 -3.325 11.777) 13.525 1.626 ( -3.483 -2.011 33.209) 33.452 1.771 ( 9.098 5.253 -3.611) 11.109 1.923 ( 9.423 5.440 12.295) 16.418 1.995 ( 12.297 7.100 1.449) 14.273 2.278 ( 6.418 3.706 12.828) 14.815 2.489 ( 8.167 4.715 -4.169) 10.311 2.651 ( 5.734 3.311 -1.677) 6.830 2.918 ( 6.361 3.673 7.818) 10.728 2.922 ( 5.763 3.327 11.301) 13.115 2.949 ( 31.622 18.257 14.748) 39.380 3.347 ( -2.084 -1.203 5.090) 5.630 3.450 ( 4.419 2.552 -1.295) 5.265 3.726 ( 8.325 4.806 13.977) 16.964 3.801 ( 3.986 2.302 22.756) 23.217 4.135 ( -1.547 -0.893 1.367) 2.250 4.569 ( 1.524 0.880 -2.492) 3.050 4.714 ( 5.290 3.054 0.183) 6.111 4.756 ( -0.545 -0.315 3.908) 3.958 6.110 ( -5.640 -3.256 -14.573) 15.962 6.167 ( -7.178 -4.144 -3.292) 8.918 6.365 ( -2.086 -1.204 -6.649) 7.072 6.552 ( 8.767 5.061 -1.500) 10.233 6.915 ( 1.297 0.749 -17.389) 17.453 7.290 ( 0.441 0.255 11.177) 11.189 7.375 ( 4.211 2.431 -16.670) 17.365 7.453 ( -6.063 -3.500 -3.295) 7.738 8.377 ( 1.403 0.810 23.674) 23.730 8.474 ( -16.508 -9.531 1.129) 19.096 8.551 ( -3.167 -1.829 1.288) 3.878 8.747 ( -8.211 -4.741 -8.810) 12.942 8.862 ( 3.208 1.852 8.792) 9.541 9.044 ( -2.464 -1.422 -10.969) 11.332 9.060 ( 1.136 0.656 -4.649) 4.830 9.129 ( -7.285 -4.206 10.273) 13.278 9.817 ( 6.517 3.762 6.386) 9.870 10.425 ( -5.040 -2.910 -0.132) 5.821 10.491 ( 5.060 2.921 0.634) 5.877 10.565 ( 4.320 2.494 6.403) 8.117 10.783 ( 9.679 5.588 2.941) 11.557 10.800 ( 3.661 2.114 1.551) 4.503 11.131 ( 9.094 5.251 5.468) 11.840 11.132 ( 6.022 3.477 1.424) 7.098 11.681 ( 5.266 3.040 -11.138) 12.690 11.979 ( 3.728 2.153 0.978) 4.415 11.984 ( 3.111 1.796 11.496) 12.044 12.798 ( -5.473 -3.160 -10.396) 12.166 13.199 ( -12.445 -7.185 -6.655) 15.837 13.246 ( -8.536 -4.928 7.653) 12.479 13.897 ( 9.929 5.732 -1.793) 11.604 14.551 ( -8.960 -5.173 -9.384) 13.968 14.961 ( -5.997 -3.462 -8.511) 10.972 15.227 ( -6.769 -3.908 -9.013) 11.930 15.669 ( 24.607 14.207 -1.710) 28.465 17.792 ( -4.204 -2.427 10.214) 11.309 18.161 ( -9.869 -5.698 0.560) 11.409 18.194 ( 10.319 5.958 12.809) 17.494 19.244 ( -2.531 -1.461 -7.484) 8.034 19.264 ( -0.619 -0.358 -1.614) 1.765 23.200 ( 19.243 11.110 12.893) 25.689 25.640 ( -15.003 -8.662 -4.833) 17.986 25.881 ( -6.155 -3.554 -0.163) 7.109 26.222 ( -0.179 -0.104 -3.966) 3.971 ======================= Grid point 79 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -7.285 -4.206 11.758) 14.458 1.708 ( -7.856 -4.535 28.850) 30.242 1.841 ( 0.384 0.222 -1.532) 1.595 2.111 ( 1.142 0.659 14.004) 14.066 2.184 ( 4.711 2.720 -1.743) 5.712 2.482 ( 4.098 2.366 3.687) 5.998 2.544 ( -0.076 -0.044 1.318) 1.321 2.786 ( 7.457 4.306 -0.843) 8.652 3.142 ( 4.880 2.817 10.432) 11.857 3.150 ( 7.834 4.523 3.666) 9.760 3.323 ( -3.451 -1.992 6.041) 7.237 3.524 ( 4.793 2.767 -1.896) 5.851 3.548 ( 13.751 7.939 1.949) 15.997 3.731 ( -6.503 -3.755 4.805) 8.915 4.111 ( -0.049 -0.028 -3.522) 3.522 4.153 ( 7.863 4.540 12.740) 15.644 4.675 ( 6.810 3.932 1.422) 7.991 4.751 ( -2.398 -1.384 3.035) 4.108 4.789 ( 1.452 0.838 0.870) 1.889 5.946 ( -10.281 -5.935 2.320) 12.096 5.969 ( -1.065 -0.615 -5.458) 5.595 6.358 ( 2.888 1.667 3.152) 4.589 6.775 ( 10.342 5.971 -5.068) 12.973 6.840 ( 2.750 1.588 -10.848) 11.303 7.193 ( -3.006 -1.736 -3.666) 5.048 7.349 ( 4.429 2.557 -16.108) 16.900 7.509 ( 1.326 0.765 9.970) 10.087 8.080 ( -18.171 -10.491 2.336) 21.112 8.461 ( -2.250 -1.299 -12.673) 12.936 8.553 ( -0.505 -0.292 21.573) 21.581 8.567 ( -3.403 -1.965 0.586) 3.973 8.857 ( -4.495 -2.595 -4.137) 6.638 8.975 ( 1.894 1.093 -6.261) 6.631 8.979 ( -4.066 -2.347 4.444) 6.464 9.170 ( 0.335 0.193 8.792) 8.800 10.011 ( 5.653 3.264 6.462) 9.185 10.320 ( -3.353 -1.936 -1.317) 4.090 10.557 ( 1.417 0.818 0.428) 1.692 10.632 ( -0.863 -0.498 1.352) 1.679 10.855 ( 0.798 0.461 1.602) 1.848 11.081 ( 11.626 6.712 5.973) 14.693 11.226 ( 1.060 0.612 1.020) 1.593 11.307 ( 2.789 1.610 2.892) 4.328 11.761 ( 6.151 3.551 -9.075) 11.524 12.066 ( 2.187 1.263 0.627) 2.602 12.153 ( 10.938 6.315 -0.049) 12.630 12.676 ( -2.986 -1.724 2.424) 4.215 12.825 ( -15.671 -9.048 -7.194) 19.473 13.114 ( -6.853 -3.957 7.226) 10.716 14.119 ( 10.947 6.320 -1.258) 12.703 14.282 ( -8.555 -4.939 -10.018) 14.069 14.805 ( -2.150 -1.241 -8.048) 8.422 15.020 ( -5.896 -3.404 -5.571) 8.797 16.255 ( 27.094 15.643 -0.896) 31.298 17.726 ( -10.147 -5.859 5.093) 12.776 17.898 ( -11.019 -6.362 5.424) 13.831 18.512 ( 8.690 5.017 9.796) 14.023 19.097 ( -3.336 -1.926 -10.679) 11.353 19.254 ( 0.388 0.224 -0.677) 0.812 23.671 ( 12.496 7.214 13.626) 19.846 25.267 ( -12.862 -7.426 -6.004) 16.019 25.755 ( -4.442 -2.565 -0.576) 5.162 26.203 ( 0.747 0.432 -3.100) 3.218 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -5.114 -2.952 12.667) 13.975 1.688 ( -11.095 -6.406 25.134) 28.211 1.824 ( -1.153 -0.665 1.260) 1.833 2.176 ( -2.664 -1.538 -5.388) 6.205 2.181 ( -3.599 -2.078 12.164) 12.854 2.506 ( -1.625 -0.938 -0.394) 1.918 2.562 ( -0.022 -0.012 4.235) 4.235 2.944 ( 4.839 2.794 3.108) 6.394 3.196 ( -5.367 -3.099 6.953) 9.314 3.227 ( -1.316 -0.760 -3.845) 4.134 3.299 ( -4.112 -2.374 8.170) 9.449 3.485 ( -12.672 -7.316 -4.971) 15.453 3.604 ( 3.125 1.804 -0.390) 3.630 3.723 ( -0.529 -0.305 2.994) 3.056 4.070 ( 0.023 0.013 -8.119) 8.119 4.216 ( -8.050 -4.648 0.998) 9.348 4.693 ( -3.399 -1.962 0.490) 3.955 4.721 ( -2.827 -1.632 -4.609) 5.647 4.804 ( -1.594 -0.920 2.776) 3.331 5.895 ( 3.359 1.940 10.587) 11.275 5.974 ( 3.060 1.767 -0.038) 3.533 6.537 ( 7.564 4.367 14.008) 16.508 6.726 ( -0.069 -0.040 -15.089) 15.089 6.980 ( 2.480 1.432 -1.882) 3.427 7.201 ( 3.308 1.910 -1.639) 4.157 7.357 ( 5.413 3.125 -13.935) 15.272 7.584 ( 2.323 1.341 6.606) 7.129 7.820 ( -4.844 -2.796 6.746) 8.763 8.311 ( -1.922 -1.109 -15.381) 15.541 8.614 ( 5.998 3.463 3.262) 7.656 8.633 ( -5.959 -3.440 20.450) 21.576 8.706 ( -3.900 -2.252 -11.325) 12.187 8.971 ( 1.749 1.010 -5.273) 5.647 8.972 ( -0.951 -0.549 8.347) 8.419 9.227 ( -0.131 -0.076 7.293) 7.294 10.102 ( -2.099 -1.212 5.474) 5.986 10.271 ( 0.043 0.025 -1.583) 1.583 10.553 ( -3.895 -2.249 -0.427) 4.518 10.580 ( -0.819 -0.473 -1.793) 2.027 10.876 ( 0.174 0.100 2.132) 2.141 11.150 ( -5.986 -3.456 -1.972) 7.188 11.306 ( 1.052 0.607 5.821) 5.946 11.320 ( -1.613 -0.931 -0.139) 1.868 11.708 ( -0.965 -0.557 -8.865) 8.935 12.158 ( -12.187 -7.036 -13.076) 19.210 12.276 ( 14.646 8.456 -1.223) 16.956 12.591 ( -9.768 -5.640 9.972) 15.055 12.686 ( 10.685 6.169 1.324) 12.409 13.116 ( 2.040 1.178 9.691) 9.973 14.047 ( -6.467 -3.733 -10.101) 12.561 14.359 ( 11.207 6.471 -0.761) 12.963 14.771 ( 3.768 2.175 -6.548) 7.862 14.939 ( 2.148 1.240 -3.002) 3.894 16.658 ( 0.977 0.564 0.102) 1.132 17.489 ( -1.233 -0.712 -0.405) 1.480 17.846 ( -2.127 -1.228 10.929) 11.202 18.519 ( -10.971 -6.334 -2.216) 12.861 19.116 ( 9.372 5.411 -2.444) 11.094 19.264 ( 0.594 0.343 0.022) 0.686 23.788 ( -10.343 -5.971 7.056) 13.872 25.145 ( 6.403 3.697 -1.654) 7.576 25.695 ( -0.161 -0.093 -1.107) 1.123 26.212 ( 1.778 1.026 -2.340) 3.113 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -2.510 -1.449 12.479) 12.812 1.540 ( -16.730 -9.659 18.138) 26.499 1.812 ( -1.617 -0.933 3.069) 3.592 2.036 ( -6.518 -3.763 -2.239) 7.852 2.087 ( -11.073 -6.393 7.774) 14.964 2.456 ( -3.977 -2.296 3.035) 5.505 2.560 ( -3.864 -2.231 1.248) 4.633 2.974 ( -8.239 -4.757 5.489) 10.983 3.028 ( -14.266 -8.236 6.798) 17.820 3.066 ( -7.603 -4.390 -10.818) 13.932 3.082 ( -18.728 -10.813 -4.238) 22.036 3.228 ( -1.293 -0.747 0.689) 1.645 3.643 ( -8.817 -5.091 2.630) 10.516 3.649 ( -0.021 -0.012 0.898) 0.899 3.791 ( -27.846 -16.077 1.096) 32.172 4.045 ( 2.363 1.365 -3.439) 4.390 4.610 ( -1.267 -0.731 -4.802) 5.020 4.636 ( -1.198 -0.692 -1.167) 1.810 4.781 ( -1.941 -1.120 1.888) 2.930 6.104 ( 8.302 4.793 1.514) 9.705 6.133 ( 8.462 4.886 9.796) 13.836 6.620 ( 0.560 0.323 -16.089) 16.102 6.836 ( -10.854 -6.267 -1.026) 12.575 6.865 ( 9.941 5.739 22.569) 25.320 7.323 ( 9.518 5.495 -1.756) 11.130 7.361 ( 2.955 1.706 -14.164) 14.569 7.661 ( -2.827 -1.632 10.080) 10.596 8.023 ( 17.549 10.132 0.313) 20.266 8.188 ( -0.206 -0.119 -9.566) 9.569 8.449 ( -9.753 -5.631 -13.732) 17.759 8.635 ( -7.780 -4.492 17.833) 19.968 8.830 ( 10.334 5.966 2.111) 12.118 9.000 ( 4.104 2.370 -4.554) 6.572 9.024 ( -0.203 -0.117 8.129) 8.133 9.274 ( 1.161 0.670 3.134) 3.409 9.995 ( -8.995 -5.194 3.019) 10.817 10.306 ( 3.362 1.941 -0.701) 3.944 10.442 ( -4.708 -2.718 0.889) 5.508 10.543 ( -2.490 -1.438 -1.113) 3.083 10.879 ( -1.974 -1.140 1.479) 2.717 10.925 ( -10.440 -6.027 -4.032) 12.711 11.208 ( -9.074 -5.239 -2.198) 10.706 11.256 ( -5.655 -3.265 2.020) 6.835 11.699 ( 2.246 1.297 -4.871) 5.518 11.806 ( -5.436 -3.138 -13.240) 14.652 12.325 ( -13.312 -7.686 10.972) 18.886 12.668 ( 13.742 7.934 -0.224) 15.869 13.012 ( 15.128 8.734 -0.236) 17.470 13.277 ( 4.143 2.392 12.466) 13.353 13.839 ( -6.060 -3.499 -10.496) 12.615 14.596 ( 10.550 6.091 -1.637) 12.292 14.872 ( 8.534 4.927 -5.170) 11.128 15.085 ( 11.646 6.724 -0.511) 13.457 16.287 ( -25.974 -14.996 0.275) 29.994 17.673 ( 7.233 4.176 3.544) 9.073 17.953 ( 7.255 4.189 7.350) 11.145 18.171 ( -15.242 -8.800 -6.250) 18.677 19.279 ( 0.720 0.416 0.066) 0.834 19.306 ( 6.427 3.711 0.114) 7.423 23.431 ( -20.771 -11.992 2.176) 24.083 25.425 ( 15.490 8.943 1.187) 17.926 25.735 ( 4.426 2.555 -1.349) 5.285 26.247 ( 2.543 1.468 -1.972) 3.537 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -3.151 -1.819 12.722) 13.232 1.193 ( -21.933 -12.663 10.126) 27.275 1.732 ( -9.238 -5.333 -1.487) 10.770 1.888 ( -9.057 -5.229 8.880) 13.720 1.893 ( -9.958 -5.749 13.944) 18.074 2.202 ( -25.004 -14.436 2.722) 29.001 2.236 ( -27.749 -16.021 0.696) 32.050 2.659 ( -7.779 -4.491 -2.263) 9.263 2.662 ( -20.043 -11.572 -4.770) 23.631 2.855 ( -5.034 -2.906 1.899) 6.115 2.878 ( -9.688 -5.594 13.135) 17.253 3.076 ( -25.319 -14.618 -1.899) 29.297 3.258 ( 2.198 1.269 0.011) 2.538 3.505 ( -7.871 -4.544 0.566) 9.106 3.642 ( -1.267 -0.732 1.666) 2.218 4.110 ( 2.691 1.554 2.401) 3.927 4.596 ( 0.798 0.461 -1.606) 1.851 4.628 ( 1.363 0.787 -1.653) 2.283 4.744 ( -1.964 -1.134 -0.016) 2.268 6.337 ( 4.820 2.783 4.642) 7.247 6.356 ( 13.293 7.675 0.840) 15.372 6.537 ( -0.959 -0.554 -7.492) 7.573 6.630 ( -3.186 -1.839 -7.353) 8.222 7.246 ( 2.817 1.626 10.244) 10.748 7.287 ( 5.585 3.224 -0.977) 6.522 7.547 ( 9.039 5.219 -0.899) 10.476 7.605 ( -3.360 -1.940 -2.272) 4.496 8.070 ( -13.593 -7.848 -18.702) 24.415 8.188 ( 2.320 1.340 6.307) 6.852 8.447 ( 17.764 10.256 0.258) 20.513 8.548 ( -12.435 -7.179 21.370) 25.746 9.030 ( 2.738 1.581 5.982) 6.766 9.075 ( 5.023 2.900 -2.762) 6.424 9.087 ( 6.531 3.770 -5.372) 9.259 9.309 ( 1.305 0.754 -2.745) 3.132 9.810 ( -8.268 -4.774 2.376) 9.839 10.370 ( 1.825 1.053 -1.487) 2.579 10.379 ( -3.710 -2.142 4.950) 6.546 10.449 ( -4.032 -2.328 -1.286) 4.830 10.727 ( -4.738 -2.735 -1.404) 5.648 10.760 ( -7.559 -4.364 -1.839) 8.920 11.002 ( -4.990 -2.881 -1.294) 5.905 11.128 ( -6.600 -3.811 0.836) 7.667 11.676 ( -2.250 -1.299 -2.338) 3.495 11.753 ( 4.506 2.602 -7.712) 9.303 12.112 ( -11.017 -6.361 9.046) 15.609 12.944 ( 10.328 5.963 0.955) 11.964 13.308 ( 11.909 6.876 -1.953) 13.889 13.426 ( 1.214 0.701 9.293) 9.398 13.646 ( -4.273 -2.467 -8.580) 9.898 14.784 ( 8.037 4.640 -4.439) 10.288 15.049 ( 9.734 5.620 -4.689) 12.179 15.397 ( 14.871 8.586 -0.447) 17.178 15.712 ( -24.030 -13.874 -0.213) 27.748 17.770 ( -0.677 -0.391 9.051) 9.085 17.823 ( -12.062 -6.964 -3.288) 14.310 18.180 ( 7.653 4.418 1.922) 9.043 19.299 ( 1.165 0.673 -0.425) 1.411 19.376 ( 0.498 0.287 -1.483) 1.591 23.006 ( -17.549 -10.132 1.010) 20.289 25.756 ( 12.809 7.395 0.603) 14.803 25.856 ( 6.711 3.875 -1.171) 7.837 26.289 ( 2.523 1.457 -2.528) 3.857 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 1.677 8.784) 8.943 1.375 ( -0.000 23.457 18.936) 30.146 1.376 ( -0.000 26.555 3.201) 26.747 1.699 ( -0.000 17.233 4.974) 17.936 1.839 ( -0.000 22.714 2.833) 22.890 2.089 ( -0.000 11.328 24.401) 26.902 2.284 ( -0.000 1.646 17.582) 17.659 2.400 ( -0.000 9.439 26.418) 28.054 2.539 ( 0.000 2.710 -1.156) 2.946 2.823 ( -0.000 -2.496 10.380) 10.676 3.108 ( -0.000 4.940 9.953) 11.111 3.177 ( -0.000 5.654 21.658) 22.384 3.411 ( -0.000 2.893 3.785) 4.764 3.464 ( -0.000 4.863 18.809) 19.427 3.753 ( -0.000 -1.126 6.202) 6.303 4.236 ( -0.000 -0.195 2.309) 2.317 4.428 ( -0.000 13.461 0.046) 13.461 4.643 ( 0.000 -3.927 -0.846) 4.017 4.735 ( -0.000 -0.653 1.080) 1.262 6.241 ( 0.000 -6.799 -26.779) 27.629 6.261 ( 0.000 6.720 -10.030) 12.073 6.382 ( 0.000 -11.569 -11.694) 16.450 6.418 ( 0.000 4.896 -2.263) 5.393 6.894 ( 0.000 14.474 -17.689) 22.856 7.228 ( -0.000 3.880 4.031) 5.596 7.299 ( -0.000 7.263 -0.871) 7.315 7.699 ( 0.000 -12.998 -5.336) 14.051 8.312 ( -0.000 -9.545 23.305) 25.184 8.619 ( -0.000 -2.779 8.633) 9.069 8.757 ( 0.000 -7.407 -3.923) 8.382 8.773 ( -0.000 10.680 6.816) 12.670 8.930 ( 0.000 -8.397 -4.311) 9.439 8.967 ( 0.000 -2.292 -8.009) 8.330 9.100 ( 0.000 3.112 -11.953) 12.352 9.412 ( -0.000 -11.968 13.010) 17.678 9.827 ( -0.000 4.126 10.149) 10.955 10.182 ( -0.000 13.428 3.699) 13.928 10.386 ( -0.000 0.989 6.799) 6.870 10.557 ( -0.000 2.390 3.336) 4.104 10.690 ( -0.000 -0.139 2.000) 2.005 10.703 ( -0.000 5.010 3.639) 6.192 10.908 ( 0.000 2.376 -1.360) 2.738 11.004 ( -0.000 9.042 2.332) 9.338 11.659 ( -0.000 -1.484 3.718) 4.003 11.723 ( 0.000 -8.659 -4.888) 9.943 12.057 ( -0.000 13.173 4.357) 13.875 12.971 ( 0.000 -1.414 -10.155) 10.253 13.396 ( 0.000 -7.981 -6.835) 10.507 13.465 ( -0.000 -2.543 3.472) 4.304 13.616 ( 0.000 2.172 -1.801) 2.822 14.745 ( 0.000 -8.683 -6.388) 10.780 15.049 ( 0.000 -8.410 -8.855) 12.212 15.237 ( 0.000 16.604 -2.426) 16.780 15.294 ( 0.000 5.873 -13.627) 14.839 17.862 ( -0.000 -5.392 13.251) 14.306 18.079 ( -0.000 1.909 13.986) 14.116 18.315 ( -0.000 0.435 2.519) 2.557 19.271 ( 0.000 -1.614 -3.666) 4.006 19.287 ( 0.000 -0.167 -3.179) 3.183 22.769 ( -0.000 18.882 12.977) 22.911 25.960 ( 0.000 -8.854 -1.896) 9.055 25.972 ( 0.000 -6.224 -0.551) 6.248 26.220 ( 0.000 -1.958 -5.232) 5.587 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.181 9.840 3.618) 10.485 1.534 ( 8.937 16.033 3.914) 18.768 1.795 ( 9.626 11.316 4.872) 15.635 1.874 ( -0.548 4.195 18.402) 18.882 2.117 ( -2.225 17.141 11.067) 20.524 2.333 ( 9.175 6.834 -2.248) 11.659 2.441 ( -1.154 6.545 15.987) 17.314 2.589 ( 3.745 2.835 -0.615) 4.737 2.850 ( 14.364 16.769 15.787) 27.143 2.942 ( 5.574 8.363 8.203) 12.973 3.105 ( -4.564 6.663 10.791) 13.478 3.392 ( -0.926 0.523 16.073) 16.108 3.465 ( -0.600 5.187 1.694) 5.490 3.756 ( 3.238 3.930 11.029) 12.148 3.905 ( 10.313 6.611 26.617) 29.301 4.184 ( -4.039 -1.960 0.851) 4.570 4.554 ( -2.508 -1.731 -2.749) 4.104 4.626 ( 7.352 4.027 -1.372) 8.494 4.754 ( 2.396 -1.972 2.505) 3.988 6.003 ( -0.993 -3.257 -19.777) 20.068 6.228 ( 0.725 -7.516 -6.218) 9.782 6.244 ( -0.210 2.938 -8.392) 8.893 6.500 ( 3.649 8.232 -1.707) 9.165 6.879 ( -2.813 13.053 -17.689) 22.163 7.288 ( -0.146 4.346 -4.730) 6.425 7.384 ( -0.587 1.623 4.753) 5.057 7.462 ( -4.689 -8.792 -3.727) 10.638 8.409 ( 3.277 -8.862 17.684) 20.050 8.529 ( -4.486 -9.912 -5.887) 12.371 8.641 ( -5.786 -6.017 9.615) 12.733 8.707 ( -3.378 -9.846 -7.390) 12.766 8.866 ( 7.202 -6.351 -10.592) 14.296 9.020 ( -1.907 0.913 -10.090) 10.309 9.030 ( -4.212 9.865 7.474) 13.074 9.335 ( -9.136 -0.727 12.516) 15.513 9.928 ( -1.025 10.082 9.904) 14.170 10.428 ( 8.525 5.612 3.528) 10.799 10.454 ( -3.455 -2.468 2.522) 4.939 10.582 ( 3.322 4.935 6.593) 8.881 10.762 ( 2.926 6.076 2.868) 7.329 10.798 ( 1.556 4.022 4.788) 6.444 10.987 ( 8.217 0.663 1.185) 8.329 11.172 ( 4.265 10.092 5.617) 12.313 11.564 ( 0.016 -4.119 -8.022) 9.018 11.770 ( 9.864 -6.264 1.808) 11.824 12.202 ( -2.876 12.561 5.612) 14.055 12.817 ( -7.004 0.285 -10.078) 12.276 13.200 ( -5.910 -11.811 -5.214) 14.199 13.416 ( -6.473 -1.916 4.700) 8.226 13.725 ( 10.770 2.769 -4.797) 12.110 14.553 ( -6.148 -9.276 -7.052) 13.174 14.923 ( 1.255 -8.851 -9.846) 13.299 15.151 ( -4.027 -3.248 -12.191) 13.244 15.522 ( 11.420 20.645 -1.728) 23.656 17.910 ( -2.028 -1.750 11.951) 12.247 18.138 ( 0.876 -6.311 5.100) 8.161 18.344 ( -3.856 6.365 10.849) 13.156 19.208 ( -1.642 -2.557 -6.031) 6.754 19.258 ( -0.200 -0.164 -3.885) 3.894 23.176 ( 12.297 20.072 14.975) 27.899 25.732 ( -10.568 -11.718 -4.764) 16.483 25.885 ( -2.275 -8.783 -0.534) 9.089 26.177 ( 0.948 -1.678 -3.976) 4.419 ======================= Grid point 87 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -15.962 21.213 4.613) 26.945 1.770 ( 3.077 5.116 -0.973) 6.049 2.004 ( 0.617 -2.883 15.918) 16.189 2.064 ( 8.177 3.063 3.776) 9.513 2.241 ( -4.766 7.220 15.743) 17.964 2.460 ( 2.918 0.444 0.758) 3.047 2.636 ( 2.159 10.531 6.457) 12.541 2.695 ( 6.570 3.424 -1.063) 7.485 3.122 ( 7.213 1.994 9.481) 12.078 3.173 ( 2.826 9.322 8.142) 12.696 3.327 ( 4.100 -1.245 7.004) 8.211 3.502 ( -0.403 4.353 -1.348) 4.575 3.547 ( 2.723 13.403 10.364) 17.161 3.827 ( -3.515 -0.316 5.182) 6.270 4.105 ( -1.279 -0.921 -2.455) 2.917 4.229 ( -1.844 1.636 12.350) 12.594 4.585 ( 10.299 4.015 2.426) 11.316 4.721 ( 3.804 -1.780 -0.336) 4.214 4.805 ( 1.124 0.394 2.526) 2.793 5.904 ( 2.550 0.842 -9.744) 10.107 6.134 ( -8.202 2.748 0.118) 8.651 6.239 ( 7.491 -5.583 -0.686) 9.368 6.680 ( 8.078 11.183 -2.105) 13.955 6.831 ( -4.186 10.503 -10.999) 15.774 7.154 ( -4.574 -10.735 -6.108) 13.171 7.273 ( -0.464 7.955 -12.540) 14.857 7.557 ( 2.562 0.720 9.824) 10.178 8.228 ( -12.491 -15.059 -0.130) 19.566 8.374 ( -3.048 -5.946 -6.203) 9.117 8.548 ( -0.573 -10.102 1.099) 10.177 8.678 ( 2.257 -2.675 17.203) 17.555 8.837 ( 0.594 -0.656 -14.355) 14.382 8.906 ( 1.895 -9.367 2.381) 9.849 9.061 ( -5.810 9.091 -1.568) 10.902 9.315 ( -6.155 4.827 9.448) 12.266 10.098 ( 0.638 9.422 7.858) 12.285 10.344 ( -5.353 -0.612 0.434) 5.405 10.589 ( 2.257 5.851 1.730) 6.506 10.689 ( -2.464 0.503 7.263) 7.687 10.823 ( 0.324 -1.071 3.197) 3.387 11.012 ( 9.343 6.752 5.352) 12.709 11.164 ( 7.105 0.936 3.747) 8.087 11.352 ( 2.582 6.622 4.870) 8.616 11.561 ( 10.014 1.176 -8.940) 13.476 11.938 ( 14.534 -0.605 -0.106) 14.547 12.191 ( -8.747 3.559 -5.309) 10.833 12.674 ( -5.193 -5.608 -2.436) 8.022 12.941 ( -9.072 -5.591 -0.051) 10.656 13.303 ( -8.955 0.369 5.523) 10.527 13.921 ( 13.442 3.487 -7.253) 15.667 14.295 ( -7.480 -9.449 -5.677) 13.321 14.796 ( -2.248 -0.686 -9.431) 9.719 14.950 ( -1.446 -10.313 -9.419) 14.041 15.995 ( 21.262 20.645 -0.215) 29.636 17.859 ( -9.141 -8.599 5.167) 13.572 18.034 ( -6.483 -6.382 7.468) 11.770 18.530 ( 5.473 9.482 11.718) 16.037 19.068 ( -4.764 -2.753 -10.722) 12.052 19.236 ( 0.798 -0.398 -2.344) 2.508 23.692 ( 12.239 18.101 16.073) 27.126 25.359 ( -13.831 -11.960 -7.171) 19.640 25.746 ( -2.558 -9.340 -0.875) 9.724 26.161 ( 1.404 -0.660 -3.024) 3.398 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -18.085 25.448 5.204) 31.651 1.808 ( -1.470 1.315 3.246) 3.798 2.011 ( -7.176 -1.948 9.839) 12.333 2.162 ( 0.019 -0.852 4.005) 4.094 2.317 ( -4.071 -0.426 13.965) 14.553 2.499 ( -0.012 0.946 2.597) 2.763 2.710 ( -4.536 7.662 0.274) 8.908 2.876 ( 8.363 4.746 0.377) 9.623 3.258 ( -4.490 -0.662 3.271) 5.594 3.310 ( -2.633 -2.897 12.202) 12.815 3.337 ( 2.177 -4.805 8.032) 9.609 3.542 ( 1.532 3.208 -2.748) 4.493 3.611 ( -7.497 -3.362 -1.700) 8.391 3.771 ( -1.768 0.698 6.017) 6.311 3.949 ( -5.093 -8.220 -8.180) 12.666 4.336 ( 2.625 10.457 -1.512) 10.887 4.712 ( 1.239 -1.249 -1.649) 2.412 4.761 ( -4.763 0.021 0.944) 4.855 4.819 ( 0.430 -1.099 2.452) 2.721 5.934 ( 3.316 2.294 -2.049) 4.523 6.066 ( -7.585 8.672 9.340) 14.831 6.387 ( 14.675 -4.536 -0.431) 15.367 6.757 ( -6.517 7.033 -1.216) 9.665 6.931 ( 6.509 9.282 -3.748) 11.940 7.065 ( 8.916 -3.378 -4.859) 10.701 7.279 ( 1.513 9.145 -12.014) 15.174 7.606 ( -2.117 -5.055 6.389) 8.418 7.913 ( -8.044 -11.325 5.901) 15.092 8.231 ( -2.174 -1.722 -9.876) 10.258 8.518 ( 5.238 -3.770 -0.647) 6.486 8.677 ( -3.182 -2.285 -10.950) 11.630 8.828 ( 0.054 -1.408 17.020) 17.078 8.908 ( 0.224 -3.966 4.815) 6.242 9.034 ( -0.354 1.049 -1.943) 2.237 9.321 ( -4.718 5.944 2.788) 8.085 10.172 ( 1.862 -3.634 1.702) 4.424 10.307 ( -7.899 8.243 4.075) 12.123 10.638 ( -5.926 -2.248 5.058) 8.109 10.658 ( -2.819 6.240 1.962) 7.122 10.834 ( 1.276 -3.335 3.975) 5.343 11.124 ( 3.717 -9.506 0.334) 10.212 11.260 ( -1.536 4.374 2.268) 5.161 11.469 ( -3.548 7.045 5.765) 9.771 11.697 ( 3.947 5.017 -9.913) 11.791 12.099 ( 5.652 3.304 -9.034) 11.157 12.159 ( 3.356 2.189 -6.118) 7.314 12.425 ( 5.713 -15.667 -0.971) 16.705 12.819 ( -10.427 -4.481 10.177) 15.244 13.286 ( -3.912 11.195 8.058) 14.337 13.996 ( -1.663 -6.087 -11.891) 13.462 14.199 ( 10.158 1.621 -1.263) 10.364 14.716 ( -0.190 2.653 -9.171) 9.549 14.846 ( 4.333 -3.832 -4.561) 7.367 16.534 ( 18.348 13.600 0.577) 22.846 17.525 ( -11.811 -15.792 -0.357) 19.723 17.985 ( -5.081 -1.281 12.196) 13.274 18.654 ( -10.081 -2.181 2.619) 10.642 18.992 ( 8.343 6.774 -6.300) 12.457 19.242 ( 1.808 -0.621 -0.981) 2.148 24.014 ( -6.492 7.376 13.034) 16.323 25.071 ( -0.245 -3.075 -6.209) 6.933 25.637 ( 0.968 -7.834 -1.429) 8.022 26.169 ( 1.965 0.541 -2.544) 3.260 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -17.531 27.301 5.186) 32.857 1.786 ( -8.595 -1.853 6.549) 10.963 1.891 ( -6.571 -0.566 -0.329) 6.603 2.132 ( -6.174 -2.990 8.729) 11.102 2.273 ( -9.031 -4.250 11.063) 14.900 2.507 ( -2.822 -0.448 3.829) 4.778 2.677 ( -6.059 4.865 -2.291) 8.101 2.993 ( -1.089 -4.605 -1.233) 4.890 3.061 ( -8.721 -10.235 -3.427) 13.877 3.199 ( -4.870 -11.298 3.250) 12.725 3.284 ( -11.966 -3.739 13.172) 18.184 3.297 ( -15.666 -5.471 0.354) 16.598 3.632 ( 2.765 0.926 0.575) 2.972 3.768 ( -6.806 0.996 1.856) 7.124 3.873 ( 9.477 -3.297 -0.990) 10.083 4.298 ( -25.375 4.182 0.703) 25.727 4.591 ( -2.775 0.737 -6.635) 7.229 4.689 ( -3.179 1.349 -0.702) 3.524 4.788 ( -0.906 -3.285 0.646) 3.468 6.026 ( 5.936 3.122 -0.416) 6.720 6.178 ( 1.240 6.817 9.581) 11.824 6.472 ( 4.282 0.474 -18.004) 18.512 6.867 ( 7.901 0.563 21.180) 22.613 6.977 ( -8.072 0.688 -1.546) 8.247 7.155 ( 8.992 -1.404 -3.637) 9.801 7.311 ( 0.861 8.058 -10.622) 13.360 7.663 ( 10.133 1.282 2.559) 10.529 7.851 ( 4.251 -5.652 7.119) 10.035 8.143 ( -1.009 0.608 -6.004) 6.119 8.471 ( -7.465 1.085 -16.292) 17.954 8.653 ( 10.181 0.690 -1.983) 10.396 8.891 ( -5.238 0.204 15.488) 16.351 8.918 ( 2.695 -1.127 1.053) 3.106 9.052 ( 2.851 -7.082 6.208) 9.839 9.318 ( -2.958 6.729 -2.014) 7.621 10.194 ( 4.599 -4.413 -1.399) 6.525 10.199 ( -12.755 1.249 5.617) 13.993 10.550 ( -6.731 -2.518 9.221) 11.691 10.657 ( -6.150 6.344 0.436) 8.847 10.850 ( 0.683 -4.399 2.754) 5.234 11.003 ( -5.931 -5.602 -6.134) 10.207 11.239 ( -5.302 -1.869 2.790) 6.276 11.392 ( -8.090 -0.232 1.197) 8.181 11.665 ( -5.219 -4.001 -5.856) 8.806 11.856 ( -6.969 6.301 -12.664) 15.768 12.420 ( 13.347 5.118 1.124) 14.339 12.571 ( -2.742 -7.555 7.745) 11.162 12.722 ( 15.263 -3.138 0.196) 15.583 13.448 ( -1.212 14.120 10.704) 17.760 13.792 ( -4.075 -8.164 -9.891) 13.458 14.418 ( 13.311 3.640 -5.050) 14.695 14.752 ( 7.231 4.829 -6.613) 10.924 14.947 ( 9.374 4.691 -2.273) 10.726 16.539 ( -20.000 -11.041 0.679) 22.856 17.503 ( 17.045 1.764 0.094) 17.136 17.988 ( -1.440 -2.800 9.499) 10.007 18.358 ( -17.408 -2.938 -1.849) 17.751 19.194 ( 7.343 2.702 -1.247) 7.923 19.277 ( 3.452 1.955 -0.548) 4.005 23.772 ( -25.590 -4.930 6.144) 26.775 25.244 ( 15.753 7.478 -1.226) 17.481 25.622 ( 6.045 -4.782 -1.612) 7.875 26.200 ( 2.522 1.447 -2.488) 3.827 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -16.186 16.730 3.105) 23.485 1.537 ( -20.010 8.184 -0.061) 21.619 1.850 ( -3.691 -0.424 5.231) 6.416 1.985 ( -12.003 -13.527 8.745) 20.088 2.149 ( -11.002 -2.971 15.183) 18.984 2.294 ( -16.484 -28.360 4.335) 33.087 2.524 ( -10.278 0.680 -5.907) 11.874 2.685 ( -8.474 -2.873 -1.712) 9.110 2.885 ( -7.856 -8.562 5.347) 12.791 2.972 ( -16.203 -1.862 3.208) 16.622 3.145 ( -6.003 -0.537 9.363) 11.135 3.258 ( -2.278 2.160 11.141) 11.574 3.585 ( -24.702 -1.050 -5.867) 25.411 3.632 ( -10.137 -1.144 0.750) 10.228 3.728 ( -20.642 -0.796 4.263) 21.092 4.035 ( 8.424 0.051 2.229) 8.714 4.586 ( 0.021 2.440 -2.304) 3.356 4.656 ( -2.633 2.907 0.872) 4.018 4.748 ( -0.867 -2.153 -1.130) 2.581 6.185 ( 10.810 1.794 -2.431) 11.224 6.306 ( 4.514 1.072 2.489) 5.265 6.412 ( 3.137 2.250 -15.952) 16.412 6.736 ( -12.899 -3.012 -0.452) 13.254 7.166 ( 10.174 -7.968 15.644) 20.292 7.275 ( -1.851 4.665 -8.978) 10.286 7.360 ( 13.419 2.486 -4.241) 14.291 7.734 ( -3.328 3.749 9.824) 11.029 8.029 ( -6.205 -5.654 -16.915) 18.884 8.162 ( 21.690 4.770 1.865) 22.286 8.293 ( -3.560 4.571 1.532) 5.993 8.796 ( 1.686 -1.925 6.298) 6.798 8.906 ( -1.285 0.974 6.077) 6.288 8.986 ( 6.936 2.537 -5.684) 9.319 9.056 ( 2.737 -9.339 5.801) 11.330 9.310 ( -2.113 3.445 -4.861) 6.321 9.985 ( -13.485 -2.125 3.981) 14.220 10.269 ( 5.857 -1.730 0.913) 6.175 10.504 ( -6.185 -2.154 11.770) 13.469 10.572 ( -8.012 3.349 -1.379) 8.793 10.739 ( -4.727 -4.794 -1.482) 6.894 10.878 ( -6.185 1.070 -1.103) 6.374 11.054 ( -8.594 -4.514 -0.577) 9.724 11.253 ( -8.865 -0.571 1.382) 8.991 11.604 ( 4.605 2.443 -2.866) 5.949 11.806 ( -5.730 10.123 -7.725) 13.963 12.292 ( -12.673 -10.609 9.020) 18.829 12.786 ( 14.780 2.929 1.439) 15.136 13.011 ( 18.761 -2.484 -2.815) 19.133 13.574 ( -4.207 -5.713 -8.882) 11.368 13.627 ( -1.357 9.897 8.607) 13.186 14.612 ( 11.482 2.406 -7.641) 14.001 14.926 ( 9.689 8.366 -5.767) 14.040 15.186 ( 14.902 3.778 -2.423) 15.563 16.000 ( -26.748 -11.725 0.499) 29.209 17.757 ( 5.634 -2.864 3.967) 7.462 17.988 ( -2.677 -0.315 -2.585) 3.735 18.136 ( -4.569 0.714 9.334) 10.417 19.255 ( 2.825 -0.658 -1.454) 3.245 19.356 ( 2.240 1.643 -2.272) 3.589 23.322 ( -25.396 -4.469 5.095) 26.285 25.573 ( 15.817 4.426 -1.287) 16.475 25.721 ( 9.673 -0.630 -0.939) 9.739 26.240 ( 2.531 1.701 -3.105) 4.352 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.000 -0.186 3.649) 3.654 1.746 ( -0.000 11.916 0.132) 11.917 1.883 ( -0.000 -0.155 23.692) 23.693 2.152 ( 0.000 8.110 -6.619) 10.469 2.171 ( -0.000 21.446 0.189) 21.446 2.488 ( -0.000 14.156 6.040) 15.390 2.583 ( -0.000 3.291 1.033) 3.449 2.643 ( -0.000 13.014 11.589) 17.426 2.964 ( -0.000 15.454 10.804) 18.856 3.024 ( -0.000 11.224 7.176) 13.322 3.172 ( -0.000 -0.464 0.784) 0.911 3.512 ( -0.000 2.155 4.677) 5.150 3.717 ( -0.000 10.295 24.076) 26.184 3.901 ( -0.000 5.092 12.649) 13.636 3.982 ( -0.000 8.953 25.724) 27.238 4.179 ( 0.000 -6.874 -1.021) 6.949 4.547 ( 0.000 -3.671 -2.677) 4.543 4.593 ( 0.000 2.866 -1.673) 3.318 4.701 ( -0.000 -3.055 1.644) 3.469 5.855 ( 0.000 -1.960 -15.506) 15.630 6.055 ( 0.000 -7.589 -5.776) 9.537 6.260 ( 0.000 6.216 -8.186) 10.279 6.558 ( 0.000 12.078 -2.352) 12.304 6.922 ( 0.000 14.669 -17.265) 22.656 7.326 ( 0.000 -15.317 -5.876) 16.405 7.336 ( -0.000 2.512 1.237) 2.800 7.466 ( -0.000 8.240 0.939) 8.294 8.410 ( 0.000 -12.051 -6.985) 13.930 8.432 ( -0.000 -7.894 16.384) 18.187 8.570 ( 0.000 -5.680 -13.740) 14.868 8.625 ( 0.000 -17.177 -2.477) 17.355 8.699 ( -0.000 -5.849 8.674) 10.462 8.961 ( 0.000 -1.553 -10.184) 10.301 9.240 ( -0.000 12.364 6.025) 13.754 9.523 ( -0.000 5.124 6.914) 8.605 10.053 ( -0.000 3.346 10.027) 10.571 10.453 ( -0.000 5.516 4.497) 7.117 10.553 ( -0.000 1.693 9.875) 10.019 10.623 ( -0.000 6.318 2.868) 6.939 10.828 ( -0.000 9.884 6.697) 11.939 10.870 ( -0.000 4.833 4.506) 6.607 10.935 ( 0.000 2.511 -2.213) 3.347 11.288 ( -0.000 11.053 8.735) 14.088 11.459 ( 0.000 -10.646 -2.932) 11.043 11.633 ( 0.000 -1.642 -1.868) 2.488 12.345 ( 0.000 6.385 -2.183) 6.748 12.868 ( 0.000 6.898 -3.253) 7.627 13.076 ( 0.000 -14.243 -7.874) 16.275 13.460 ( -0.000 -6.091 4.341) 7.479 13.629 ( 0.000 5.846 -5.006) 7.697 14.468 ( 0.000 -11.110 -5.353) 12.332 14.703 ( 0.000 -12.616 -8.759) 15.358 15.070 ( 0.000 -8.046 -12.779) 15.101 15.662 ( -0.000 29.201 -1.629) 29.247 18.010 ( -0.000 2.435 11.773) 12.022 18.070 ( -0.000 -11.882 2.006) 12.050 18.531 ( -0.000 6.053 12.947) 14.291 19.157 ( 0.000 -2.661 -6.465) 6.991 19.215 ( 0.000 -1.266 -5.489) 5.633 23.404 ( -0.000 25.364 16.362) 30.183 25.636 ( 0.000 -18.403 -7.102) 19.726 25.821 ( 0.000 -8.258 -0.070) 8.258 26.122 ( 0.000 -2.112 -2.758) 3.474 ======================= Grid point 95 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 15.496 -1.773 1.596) 15.679 1.845 ( 1.421 7.489 0.991) 7.686 2.048 ( 4.203 -9.375 16.952) 19.823 2.091 ( -5.391 13.968 -4.283) 15.573 2.425 ( 5.731 9.368 0.411) 10.990 2.614 ( -5.634 14.055 3.719) 15.593 2.648 ( 1.005 6.792 3.628) 7.766 2.721 ( -3.669 4.393 5.960) 8.263 3.122 ( 1.258 4.069 4.861) 6.463 3.205 ( 4.251 4.048 3.670) 6.923 3.336 ( 6.577 8.825 5.780) 12.431 3.573 ( 0.461 7.564 -0.671) 7.608 3.857 ( -14.339 3.203 14.281) 20.489 3.928 ( -0.104 7.710 11.577) 13.910 4.087 ( -1.193 -4.721 -0.249) 4.876 4.364 ( -6.124 -1.888 4.934) 8.088 4.451 ( 12.529 3.149 5.017) 13.859 4.628 ( 4.775 -0.790 -2.332) 5.372 4.756 ( 5.163 -2.557 3.536) 6.760 5.792 ( 3.701 1.761 -8.295) 9.252 6.012 ( 5.168 -7.153 0.106) 8.825 6.280 ( 0.162 8.219 -4.668) 9.453 6.695 ( 3.244 14.658 -2.121) 15.162 6.935 ( -2.012 13.170 -11.354) 17.504 7.077 ( -6.190 -15.100 -5.681) 17.280 7.324 ( -3.438 6.436 -5.302) 9.019 7.580 ( 2.237 3.757 4.676) 6.402 8.201 ( -4.611 -14.128 -3.777) 15.334 8.349 ( -3.550 -9.840 -5.714) 11.920 8.479 ( -1.677 -9.901 9.599) 13.892 8.546 ( 9.001 -7.651 -9.564) 15.200 8.729 ( 2.142 -4.170 10.960) 11.921 8.861 ( -1.584 -2.835 -5.226) 6.153 9.308 ( -8.557 11.328 0.167) 14.197 9.517 ( -7.449 3.986 3.769) 9.251 10.172 ( 0.867 2.488 2.842) 3.876 10.451 ( -1.558 1.141 2.985) 3.555 10.657 ( -0.366 5.648 9.376) 10.952 10.792 ( 1.195 2.536 8.421) 8.876 10.932 ( -3.180 9.205 4.592) 10.767 10.983 ( 2.334 -0.182 7.067) 7.445 11.015 ( 14.213 5.396 -4.867) 15.963 11.352 ( -1.272 -0.456 1.778) 2.234 11.504 ( 3.240 9.354 7.760) 12.578 11.696 ( 10.577 -1.378 -2.657) 10.993 12.266 ( -4.954 -0.341 -13.304) 14.201 12.720 ( -12.234 -11.964 -5.984) 18.128 13.024 ( -0.023 2.832 7.859) 8.354 13.418 ( -0.536 -1.753 0.248) 1.850 13.718 ( 6.994 5.626 -5.541) 10.549 14.268 ( -5.547 -11.856 -3.720) 13.608 14.616 ( 7.896 -9.329 -6.342) 13.770 14.857 ( -4.555 -8.286 -10.318) 13.995 16.003 ( 7.113 29.684 -0.463) 30.527 17.890 ( -6.031 -16.815 1.084) 17.896 18.124 ( -0.883 1.531 10.787) 10.931 18.655 ( 0.331 7.370 9.194) 11.788 19.050 ( -4.074 -3.023 -7.388) 8.962 19.179 ( 1.841 -1.253 -4.981) 5.456 23.844 ( 7.878 25.691 16.076) 31.314 25.329 ( -6.339 -20.406 -9.331) 23.317 25.701 ( -4.217 -8.706 -0.011) 9.674 26.107 ( 1.810 -1.298 -1.642) 2.767 ======================= Grid point 96 (37/65) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.066 -1.534 6.074) 8.057 1.931 ( -0.317 8.071 -3.614) 8.849 2.045 ( -0.167 0.870 -3.066) 3.192 2.197 ( 1.399 -1.329 11.421) 11.583 2.561 ( -1.425 6.129 3.877) 7.391 2.602 ( -10.351 7.694 7.726) 15.035 2.730 ( 4.953 2.618 -2.166) 6.007 2.829 ( 3.014 7.993 0.638) 8.566 3.217 ( 5.861 -1.105 3.005) 6.678 3.309 ( 0.631 -4.322 5.421) 6.962 3.455 ( -1.995 -1.115 6.932) 7.299 3.577 ( -6.595 3.680 -2.746) 8.035 3.687 ( -5.145 -2.358 -1.586) 5.878 3.894 ( -11.312 -9.988 -3.520) 15.495 4.023 ( -9.355 3.497 9.903) 14.065 4.340 ( 6.245 10.384 -1.950) 12.273 4.625 ( 4.965 -1.540 -4.056) 6.594 4.780 ( 5.700 1.124 5.918) 8.293 4.811 ( 1.767 -3.088 1.329) 3.798 5.882 ( 5.345 3.768 -0.633) 6.570 6.089 ( 11.521 -5.210 -0.192) 12.646 6.357 ( -4.571 12.962 4.538) 14.474 6.814 ( 0.176 -13.541 -7.569) 15.514 6.922 ( 7.472 15.689 -1.298) 17.425 6.954 ( -3.971 9.530 -1.085) 10.381 7.295 ( -2.130 8.334 -9.448) 12.777 7.629 ( -1.900 -5.104 5.078) 7.446 7.947 ( -6.771 -12.668 2.132) 14.521 8.208 ( -1.391 -2.144 -5.410) 5.983 8.414 ( -0.295 -5.049 2.068) 5.464 8.546 ( 4.836 -4.669 -13.957) 15.491 8.776 ( 6.311 -8.205 5.445) 11.696 8.887 ( 2.216 -0.871 11.352) 11.599 9.204 ( -11.952 7.707 -2.101) 14.376 9.462 ( -4.558 3.973 -2.334) 6.481 10.129 ( -2.469 -3.248 -1.005) 4.202 10.533 ( -0.834 7.510 2.842) 8.073 10.683 ( -2.097 -4.760 6.732) 8.507 10.794 ( -5.750 -1.171 9.122) 10.847 10.925 ( -2.944 -3.633 0.945) 4.771 11.044 ( -2.116 4.841 5.499) 7.626 11.374 ( -1.277 9.209 4.736) 10.434 11.442 ( 23.022 5.814 -4.483) 24.164 11.645 ( -3.109 5.624 4.420) 7.799 11.897 ( 14.515 1.034 -3.624) 14.996 12.114 ( -0.636 5.975 -10.249) 11.880 12.292 ( -13.093 -19.751 -8.033) 25.022 12.995 ( -9.123 -7.960 9.865) 15.618 13.494 ( 0.866 13.457 4.057) 14.082 13.838 ( 5.606 0.244 -7.664) 9.499 14.071 ( 0.210 -7.981 -2.782) 8.455 14.646 ( 4.213 -7.724 -4.547) 9.903 14.705 ( 2.890 2.714 -5.320) 6.635 16.444 ( 13.436 25.108 0.687) 28.485 17.543 ( -12.555 -22.774 -0.162) 26.006 18.131 ( -5.538 -2.599 9.125) 10.986 18.838 ( -6.168 3.113 7.810) 10.427 18.882 ( 4.767 3.902 -9.972) 11.721 19.179 ( 2.559 -1.340 -2.571) 3.867 24.291 ( 1.337 19.775 15.213) 24.986 24.967 ( -3.254 -15.850 -11.034) 19.584 25.548 ( -2.872 -8.366 -0.484) 8.858 26.126 ( 2.129 0.173 -1.120) 2.412 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -1.578 -1.182 7.990) 8.229 1.937 ( -3.090 3.701 -4.180) 6.381 1.995 ( -5.958 5.714 -4.739) 9.519 2.231 ( -2.873 -3.479 7.517) 8.767 2.485 ( -7.688 -1.700 4.960) 9.306 2.624 ( -6.190 4.621 5.387) 9.418 2.772 ( -4.467 2.758 -3.431) 6.271 2.952 ( 4.087 5.021 0.169) 6.476 3.100 ( -12.368 -19.076 1.350) 22.775 3.173 ( -5.608 -10.576 -2.517) 12.232 3.458 ( 5.776 1.458 2.561) 6.485 3.475 ( -12.385 -6.246 -1.729) 13.978 3.595 ( -0.247 1.945 1.110) 2.253 3.720 ( 2.481 -1.929 1.196) 3.363 3.966 ( -10.252 1.471 11.734) 15.651 4.529 ( 3.660 10.079 -1.296) 10.801 4.649 ( 0.038 -1.168 -2.592) 2.843 4.740 ( -7.998 -0.574 -2.428) 8.378 4.796 ( -2.294 -2.981 0.934) 3.876 5.975 ( 2.640 0.953 1.867) 3.371 6.228 ( 8.427 0.535 -11.057) 13.912 6.357 ( -6.770 1.677 6.078) 9.251 6.843 ( 13.874 1.747 -4.482) 14.684 6.972 ( -2.385 -0.186 13.021) 13.239 7.177 ( -0.743 11.565 -0.738) 11.612 7.296 ( 1.635 8.077 -10.304) 13.194 7.488 ( 2.556 -10.386 1.452) 10.794 7.855 ( -1.785 -4.611 9.347) 10.574 8.145 ( -2.342 1.191 -5.920) 6.477 8.421 ( 1.628 3.212 -12.110) 12.634 8.487 ( 7.493 -4.296 -3.428) 9.293 8.840 ( 3.157 -6.806 0.768) 7.542 8.948 ( -0.330 0.915 3.261) 3.403 9.126 ( -4.671 -0.247 11.949) 12.832 9.405 ( -3.243 4.008 -6.565) 8.348 10.085 ( 1.936 -2.634 -0.990) 3.415 10.464 ( -12.048 -1.801 6.238) 13.686 10.690 ( -2.357 -1.578 7.243) 7.779 10.780 ( -1.520 1.590 6.847) 7.192 10.827 ( -1.053 -7.311 -3.363) 8.116 10.998 ( -6.347 -1.847 -3.086) 7.296 11.448 ( -4.517 10.397 5.363) 12.540 11.516 ( -10.998 -0.191 1.753) 11.139 11.680 ( -6.143 -7.314 -5.151) 10.852 11.950 ( -1.940 9.972 -7.572) 12.670 12.159 ( 19.076 0.599 -0.421) 19.090 12.304 ( 18.025 2.661 -3.525) 18.558 12.766 ( -12.056 -12.438 6.786) 18.604 13.676 ( -0.019 8.171 1.123) 8.247 13.717 ( -5.842 -3.482 1.748) 7.022 14.169 ( 13.868 1.788 -7.468) 15.853 14.644 ( 4.989 1.924 -2.128) 5.755 14.839 ( 7.705 5.718 -2.736) 9.977 16.787 ( -9.776 9.519 1.601) 13.738 17.201 ( 9.960 -13.569 -0.985) 16.861 18.041 ( -4.896 -6.761 3.966) 9.241 18.620 ( -13.839 -0.257 1.070) 13.883 19.106 ( 7.722 6.847 -0.657) 10.341 19.202 ( 4.059 -1.679 -1.208) 4.556 24.213 ( -24.308 -3.870 6.854) 25.550 25.015 ( 16.760 4.982 -4.324) 18.011 25.474 ( 2.973 -4.882 -0.665) 5.754 26.162 ( 2.125 1.435 -1.136) 2.805 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -10.515 -3.364 -3.246) 11.507 1.843 ( -3.686 -7.893 8.344) 12.063 1.943 ( -6.926 7.891 -4.321) 11.353 2.144 ( -9.447 -2.515 3.668) 10.441 2.264 ( -16.334 -30.816 2.890) 34.997 2.428 ( -6.247 -1.771 2.929) 7.124 2.643 ( -9.787 5.852 2.018) 11.580 2.844 ( -9.755 3.803 -3.410) 11.011 2.963 ( -5.581 -3.969 5.257) 8.633 3.109 ( 5.582 0.831 1.216) 5.773 3.242 ( -12.092 -2.103 1.437) 12.357 3.499 ( -5.013 0.657 10.826) 11.948 3.651 ( 2.125 -0.675 1.452) 2.660 3.767 ( -0.780 -3.111 -0.759) 3.295 3.914 ( -2.522 0.703 8.795) 9.177 4.324 ( -28.784 1.001 -0.502) 28.806 4.618 ( -0.768 5.934 -2.133) 6.352 4.723 ( 1.078 -0.245 -0.713) 1.315 4.739 ( -2.607 0.338 2.082) 3.354 6.026 ( 5.191 -2.867 -1.646) 6.154 6.245 ( 2.087 -2.096 -1.073) 3.147 6.290 ( 0.857 -0.462 -12.340) 12.379 6.965 ( -14.808 -0.285 0.684) 14.826 7.060 ( 3.619 -6.601 10.054) 12.560 7.111 ( 11.560 2.712 -3.210) 12.300 7.316 ( -0.598 6.573 -6.573) 9.315 7.761 ( 22.053 2.834 1.836) 22.310 7.856 ( -2.015 -8.782 10.154) 13.575 8.059 ( -2.441 6.714 -9.335) 11.755 8.384 ( -1.006 4.588 -3.759) 6.016 8.641 ( 10.772 2.782 -4.025) 11.831 8.787 ( 3.893 -5.625 -5.097) 8.531 9.003 ( 2.314 -0.588 3.299) 4.072 9.105 ( -7.190 -5.242 14.703) 17.185 9.320 ( -3.113 -1.986 -7.779) 8.611 10.111 ( 1.368 -2.114 -0.566) 2.581 10.288 ( -9.923 -1.873 7.969) 12.864 10.667 ( -6.247 -5.004 8.396) 11.600 10.692 ( -2.413 -0.821 -4.291) 4.991 10.747 ( -4.223 -2.337 0.929) 4.915 10.947 ( 0.893 5.228 -0.949) 5.388 11.244 ( -16.246 -4.748 2.464) 17.104 11.390 ( -6.668 -1.367 0.515) 6.826 11.636 ( -2.352 13.543 1.794) 13.862 11.973 ( -6.663 12.226 -5.007) 14.796 12.420 ( -3.973 -8.267 0.586) 9.191 12.542 ( 12.879 -3.291 2.469) 13.520 12.643 ( 18.812 -1.622 -0.990) 18.908 13.474 ( -3.934 -12.607 -6.330) 14.646 13.853 ( -2.957 12.948 8.554) 15.797 14.361 ( 13.107 1.884 -9.591) 16.350 14.806 ( 9.521 6.598 -1.539) 11.686 14.987 ( 8.173 1.546 -4.297) 9.362 16.400 ( -27.357 -1.173 0.974) 27.400 17.531 ( 21.737 0.098 0.870) 21.755 17.919 ( -1.286 -7.708 0.063) 7.815 18.428 ( -14.030 2.029 7.886) 16.222 19.195 ( 2.462 1.008 -2.284) 3.506 19.282 ( 5.232 -0.234 -2.368) 5.748 23.774 ( -26.302 -4.142 6.659) 27.446 25.294 ( 16.093 -1.192 -4.268) 16.692 25.564 ( 8.801 2.751 0.181) 9.223 26.203 ( 1.845 1.935 -1.839) 3.245 ======================= Grid point 103 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -1.160 0.110) 1.165 1.890 ( 0.000 5.128 -1.875) 5.460 1.989 ( -0.000 -13.677 10.707) 17.370 2.221 ( -0.000 5.534 3.690) 6.652 2.480 ( -0.000 10.389 -0.326) 10.394 2.670 ( -0.000 4.701 2.282) 5.225 2.727 ( -0.000 4.975 0.009) 4.975 2.869 ( 0.000 -0.750 -2.191) 2.316 3.217 ( -0.000 4.989 4.335) 6.610 3.345 ( -0.000 5.988 4.532) 7.510 3.346 ( -0.000 14.792 7.096) 16.406 3.616 ( 0.000 7.089 -2.029) 7.374 3.944 ( 0.000 -12.173 -4.074) 12.837 4.027 ( -0.000 6.432 2.256) 6.816 4.295 ( -0.000 3.469 15.238) 15.627 4.314 ( 0.000 0.077 -6.754) 6.754 4.474 ( -0.000 -1.865 11.060) 11.216 4.486 ( 0.000 -0.200 -8.025) 8.028 4.702 ( -0.000 -5.660 6.674) 8.751 5.734 ( 0.000 1.736 -2.295) 2.878 5.935 ( -0.000 -4.315 4.938) 6.557 6.304 ( 0.000 7.840 -4.749) 9.166 6.803 ( 0.000 16.234 -3.260) 16.558 6.977 ( 0.000 -11.655 -2.322) 11.884 6.992 ( 0.000 12.675 -10.458) 16.433 7.376 ( 0.000 4.605 -4.117) 6.177 7.637 ( -0.000 4.105 2.995) 5.081 8.080 ( 0.000 -14.073 -2.117) 14.231 8.256 ( 0.000 -4.121 -10.936) 11.686 8.286 ( 0.000 -12.336 -0.722) 12.358 8.549 ( -0.000 -7.053 15.820) 17.321 8.709 ( 0.000 -2.248 -3.329) 4.017 8.829 ( -0.000 -1.791 3.253) 3.713 9.458 ( 0.000 7.073 -2.550) 7.519 9.667 ( 0.000 5.076 -3.171) 5.985 10.190 ( -0.000 2.482 1.938) 3.149 10.529 ( -0.000 1.939 0.418) 1.983 10.687 ( 0.000 3.181 -4.594) 5.588 10.778 ( -0.000 -2.847 9.161) 9.593 10.914 ( -0.000 -3.918 4.823) 6.214 10.994 ( -0.000 -4.735 5.693) 7.405 11.078 ( -0.000 9.378 2.976) 9.839 11.518 ( -0.000 11.924 11.247) 16.392 11.556 ( 0.000 -0.517 -4.475) 4.505 11.621 ( -0.000 8.052 8.063) 11.395 12.180 ( 0.000 0.184 -17.864) 17.865 12.664 ( 0.000 -16.539 -5.658) 17.480 13.131 ( -0.000 2.754 11.779) 12.096 13.334 ( 0.000 -0.057 -7.489) 7.489 13.741 ( -0.000 9.651 -0.486) 9.664 14.187 ( 0.000 -12.379 -2.629) 12.655 14.416 ( 0.000 -6.745 -2.431) 7.169 14.759 ( 0.000 -7.020 -5.214) 8.745 16.254 ( -0.000 31.999 -0.807) 32.010 17.765 ( 0.000 -20.230 0.371) 20.234 18.239 ( -0.000 2.920 10.537) 10.934 18.714 ( 0.000 0.035 -1.765) 1.766 19.057 ( -0.000 0.533 0.530) 0.752 19.102 ( 0.000 -0.330 -6.418) 6.426 24.144 ( -0.000 27.952 13.429) 31.010 25.073 ( 0.000 -26.520 -10.077) 28.370 25.684 ( 0.000 -5.708 0.586) 5.738 26.070 ( 0.000 -0.955 -0.257) 0.989 ======================= Grid point 104 (41/65) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 17.008 -1.806 1.871) 17.206 1.896 ( 1.741 -4.201 1.314) 4.734 1.976 ( 3.565 -3.092 -1.233) 4.878 2.289 ( -1.266 1.848 8.541) 8.830 2.593 ( 5.349 5.002 -1.463) 7.468 2.684 ( -3.343 -2.732 -1.334) 4.519 2.733 ( -0.502 1.447 -2.259) 2.729 2.883 ( 3.867 4.424 -0.854) 5.938 3.252 ( -1.671 -0.302 0.951) 1.947 3.373 ( -5.814 7.044 4.991) 10.408 3.473 ( -1.372 -1.238 6.196) 6.466 3.687 ( -8.813 -7.302 -4.473) 12.288 3.712 ( 0.488 2.849 -1.918) 3.469 3.915 ( -11.318 -7.827 -14.552) 20.028 4.281 ( 7.156 -0.563 -4.756) 8.611 4.311 ( -6.543 4.200 9.008) 11.899 4.491 ( 6.067 3.484 -3.794) 7.958 4.660 ( 8.736 -7.185 3.114) 11.731 4.738 ( 4.507 -3.005 7.068) 8.905 5.815 ( 6.512 3.893 2.575) 8.012 5.966 ( 1.669 -3.364 7.765) 8.625 6.412 ( 7.807 7.317 -3.393) 11.225 6.786 ( -9.377 -5.101 -0.466) 10.685 6.977 ( 2.584 14.455 -0.860) 14.709 7.053 ( 0.604 9.814 -4.549) 10.834 7.357 ( -3.726 5.955 -8.077) 10.704 7.644 ( -1.802 -5.485 3.014) 6.512 7.939 ( -2.570 -6.680 0.489) 7.174 8.143 ( 0.130 -3.133 -2.855) 4.241 8.290 ( 6.308 -5.278 -3.209) 8.829 8.524 ( -6.596 -0.008 4.426) 7.943 8.663 ( 2.950 -5.723 1.163) 6.542 8.904 ( 3.034 -0.340 9.908) 10.368 9.443 ( -6.731 5.750 -6.097) 10.749 9.525 ( -9.199 -0.054 -7.993) 12.187 10.182 ( -5.501 0.409 -1.512) 5.720 10.513 ( 4.915 1.348 -1.313) 5.263 10.757 ( -2.726 -5.439 6.935) 9.226 10.827 ( 6.299 -10.111 -2.715) 12.218 10.920 ( -4.147 0.544 1.549) 4.461 11.066 ( 12.311 2.002 4.777) 13.356 11.174 ( 4.382 2.069 4.310) 6.485 11.573 ( -2.713 7.921 5.102) 9.804 11.596 ( 3.838 -2.895 -5.817) 7.546 11.783 ( 5.669 -0.958 3.929) 6.964 12.126 ( -0.553 13.291 -9.370) 16.272 12.366 ( -15.424 -7.331 -1.761) 17.168 13.077 ( -5.327 -12.106 3.779) 13.756 13.476 ( 10.863 9.213 -2.154) 14.406 13.837 ( 0.982 8.618 -0.912) 8.721 14.008 ( -5.869 -9.148 0.260) 10.872 14.461 ( 8.309 -1.145 1.096) 8.458 14.694 ( -0.868 0.917 0.218) 1.282 16.557 ( 4.000 23.866 -0.325) 24.201 17.509 ( -8.080 -19.112 0.209) 20.751 18.247 ( -6.188 -4.587 6.106) 9.829 18.722 ( 7.596 -1.532 -10.225) 12.829 19.009 ( -5.172 3.393 2.928) 6.843 19.134 ( 1.697 2.481 -0.048) 3.007 24.523 ( 8.099 19.644 3.545) 21.542 24.735 ( -4.730 -21.182 -3.614) 22.003 25.584 ( -6.423 -3.524 0.683) 7.358 26.089 ( 2.137 0.304 0.640) 2.251 ======================= Grid point 105 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 7.199 -5.597 8.777) 12.656 1.936 ( 4.958 -1.525 -0.568) 5.218 1.988 ( 2.104 0.164 -5.877) 6.245 2.305 ( -3.427 -1.916 4.082) 5.664 2.529 ( -4.367 -5.813 -4.119) 8.356 2.708 ( -0.038 -4.204 -2.677) 4.984 2.749 ( 5.584 1.808 0.264) 5.875 2.997 ( 6.857 1.158 -2.432) 7.367 3.123 ( -15.461 -17.882 0.884) 23.656 3.150 ( -6.896 -5.579 -3.214) 9.434 3.428 ( -2.003 -0.494 0.371) 2.096 3.554 ( -7.722 -2.001 -5.388) 9.626 3.607 ( -0.409 0.987 -0.811) 1.342 3.736 ( -1.548 1.965 -0.860) 2.646 4.167 ( -5.386 -6.528 0.125) 8.464 4.497 ( 7.544 5.561 1.466) 9.487 4.608 ( 3.969 5.206 -1.228) 6.661 4.694 ( 5.668 -9.894 0.647) 11.421 4.801 ( 0.790 -2.461 0.508) 2.635 5.992 ( -1.046 -1.222 6.873) 7.059 6.034 ( 10.355 4.507 -0.331) 11.298 6.465 ( -4.433 -12.039 -4.228) 13.508 6.732 ( 2.958 16.285 5.501) 17.442 7.106 ( -3.585 1.074 5.973) 7.048 7.175 ( 9.933 4.696 -0.347) 10.992 7.272 ( -1.443 5.060 -11.434) 12.587 7.510 ( -10.028 -1.057 -0.334) 10.089 7.920 ( 0.059 -0.863 8.748) 8.791 8.104 ( -0.090 -2.889 -8.556) 9.031 8.309 ( 4.612 -0.192 -3.088) 5.553 8.451 ( -4.939 5.205 0.251) 7.180 8.737 ( 5.247 -3.991 5.981) 8.901 8.995 ( -0.453 0.315 3.931) 3.970 9.273 ( -7.146 -0.046 1.915) 7.399 9.399 ( -1.577 -0.750 -10.963) 11.101 10.083 ( -3.834 0.514 -1.010) 3.998 10.584 ( 3.620 -4.993 -2.819) 6.781 10.684 ( -6.163 -5.599 5.559) 10.012 10.766 ( 0.069 -3.626 0.625) 3.680 10.873 ( -2.244 -0.718 4.717) 5.273 11.013 ( -4.082 -8.635 -8.001) 12.460 11.493 ( -0.411 -4.652 2.904) 5.499 11.563 ( 19.220 3.079 -1.738) 19.543 11.656 ( 1.212 -11.741 -5.166) 12.885 11.851 ( 8.225 4.185 2.449) 9.548 12.147 ( -9.403 11.822 2.189) 15.264 12.243 ( -2.608 16.880 -0.080) 17.080 12.845 ( -8.778 -13.330 -0.277) 15.963 13.616 ( -0.958 -6.950 -0.782) 7.059 13.910 ( 11.543 1.061 -8.701) 14.494 13.966 ( -5.106 12.595 10.397) 17.111 14.604 ( 4.342 4.857 1.880) 6.781 14.783 ( 4.766 6.952 2.428) 8.771 16.816 ( 13.280 -2.901 -1.079) 13.636 17.183 ( -17.343 1.836 0.708) 17.454 18.081 ( -7.045 -8.339 0.018) 10.916 18.702 ( 1.307 -5.833 -6.859) 9.099 19.074 ( 3.119 6.137 3.886) 7.905 19.171 ( -0.725 2.959 0.812) 3.153 24.370 ( -2.665 -24.198 -7.715) 25.537 24.899 ( 3.510 19.418 6.281) 20.708 25.464 ( -4.427 0.305 0.300) 4.447 26.141 ( 2.054 1.587 0.806) 2.717 ======================= Grid point 106 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -4.229 -7.325 -0.000) 8.459 1.841 ( -6.972 -12.076 0.000) 13.944 2.023 ( 1.005 1.741 0.000) 2.010 2.228 ( -8.120 -14.064 0.000) 16.240 2.268 ( -12.351 -21.392 0.000) 24.701 2.441 ( -1.144 -1.981 0.000) 2.287 2.849 ( -3.585 -6.210 0.000) 7.171 2.914 ( -0.837 -1.449 0.000) 1.673 3.003 ( 2.151 3.725 0.000) 4.301 3.103 ( 1.837 3.181 0.000) 3.673 3.354 ( -3.139 -5.437 0.000) 6.278 3.504 ( 2.159 3.739 0.000) 4.318 3.628 ( -0.035 -0.061 -0.000) 0.070 3.733 ( 0.463 0.802 0.000) 0.926 4.030 ( -2.949 -5.108 0.000) 5.898 4.574 ( -3.416 -5.917 0.000) 6.833 4.689 ( 1.571 2.721 -0.000) 3.142 4.703 ( 1.215 2.105 0.000) 2.431 4.754 ( -0.928 -1.608 0.000) 1.856 5.958 ( -1.714 -2.969 0.000) 3.428 6.210 ( -7.515 -13.016 0.000) 15.029 6.226 ( 4.249 7.360 0.000) 8.498 6.998 ( 6.675 11.562 0.000) 13.350 7.017 ( -3.317 -5.746 -0.000) 6.635 7.198 ( -5.128 -8.882 0.000) 10.256 7.347 ( 2.208 3.825 0.000) 4.417 7.490 ( 7.321 12.680 0.000) 14.641 7.881 ( -6.318 -10.942 0.000) 12.635 8.086 ( 4.567 7.910 -0.000) 9.134 8.395 ( 2.534 4.389 0.000) 5.068 8.508 ( 4.306 7.458 0.000) 8.612 8.738 ( -2.542 -4.402 -0.000) 5.084 8.990 ( 0.725 1.255 0.000) 1.450 9.211 ( -3.545 -6.140 0.000) 7.090 9.289 ( -3.013 -5.218 -0.000) 6.026 10.072 ( 1.188 2.057 0.000) 2.376 10.460 ( -8.154 -14.123 0.000) 16.308 10.589 ( 1.899 3.290 -0.000) 3.799 10.742 ( -1.710 -2.962 0.000) 3.420 10.808 ( -4.962 -8.595 -0.000) 9.925 10.951 ( 4.249 7.359 -0.000) 8.497 11.377 ( -6.645 -11.510 -0.000) 13.290 11.439 ( -2.214 -3.835 0.000) 4.428 11.894 ( 3.321 5.753 0.000) 6.643 12.096 ( 8.744 15.145 0.000) 17.488 12.219 ( 3.029 5.246 0.000) 6.058 12.372 ( 5.124 8.875 0.000) 10.248 12.556 ( -8.008 -13.870 0.000) 16.016 13.417 ( -7.361 -12.749 0.000) 14.721 14.054 ( 3.423 5.929 0.000) 6.847 14.139 ( 5.589 9.681 0.000) 11.178 14.747 ( 4.868 8.432 0.000) 9.736 14.909 ( 1.429 2.474 0.000) 2.857 16.743 ( -6.731 -11.658 0.000) 13.461 17.232 ( 8.190 14.186 -0.000) 16.381 17.896 ( -4.693 -8.129 0.000) 9.387 18.615 ( -2.308 -3.998 0.000) 4.616 19.167 ( -0.121 -0.210 0.000) 0.242 19.207 ( 2.422 4.196 0.000) 4.845 24.049 ( -9.132 -15.816 0.000) 18.263 25.089 ( 3.070 5.318 0.000) 6.140 25.503 ( 4.110 7.119 0.000) 8.220 26.190 ( 1.224 2.121 -0.000) 2.449 ======================= Grid point 113 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 -1.488 -3.763) 4.046 1.828 ( -0.000 -12.653 4.271) 13.354 1.915 ( 0.000 1.124 -2.634) 2.864 2.367 ( -0.000 -0.058 8.322) 8.322 2.557 ( 0.000 -0.371 -2.125) 2.157 2.638 ( 0.000 -6.307 -6.004) 8.708 2.688 ( 0.000 -2.902 -7.974) 8.485 2.907 ( -0.000 6.191 3.323) 7.026 3.233 ( 0.000 -4.388 -2.327) 4.967 3.407 ( -0.000 -5.382 2.539) 5.950 3.577 ( 0.000 -16.687 0.803) 16.707 3.681 ( 0.000 2.816 -4.123) 4.992 3.754 ( -0.000 13.220 -1.060) 13.262 3.920 ( 0.000 -6.907 -12.295) 14.102 3.979 ( 0.000 -9.144 -21.449) 23.317 4.364 ( -0.000 -20.044 5.295) 20.732 4.416 ( 0.000 8.428 -3.689) 9.200 4.590 ( -0.000 -1.828 6.555) 6.805 4.726 ( -0.000 -1.431 7.214) 7.354 5.831 ( -0.000 4.702 6.221) 7.798 6.016 ( -0.000 -0.986 13.300) 13.337 6.355 ( 0.000 3.241 -5.786) 6.632 6.876 ( -0.000 5.096 1.760) 5.391 7.062 ( -0.000 3.863 2.087) 4.390 7.095 ( 0.000 7.845 -4.162) 8.881 7.401 ( 0.000 8.892 -11.685) 14.684 7.626 ( -0.000 -1.675 1.419) 2.195 7.909 ( 0.000 -2.828 -0.241) 2.838 8.100 ( -0.000 -5.934 2.312) 6.368 8.257 ( -0.000 5.926 2.863) 6.582 8.554 ( 0.000 -2.575 -5.298) 5.890 8.654 ( -0.000 -1.443 12.070) 12.156 8.955 ( -0.000 2.240 9.854) 10.105 9.417 ( 0.000 -1.375 -11.428) 11.510 9.597 ( 0.000 -0.460 -12.773) 12.782 10.228 ( 0.000 0.499 -0.838) 0.975 10.446 ( 0.000 -8.135 -11.633) 14.196 10.549 ( -0.000 -0.659 0.171) 0.681 10.805 ( -0.000 -5.503 7.512) 9.311 10.962 ( 0.000 -0.412 -1.115) 1.188 11.084 ( 0.000 -8.987 -7.048) 11.421 11.097 ( -0.000 1.849 14.612) 14.729 11.507 ( 0.000 -1.594 -4.249) 4.539 11.609 ( 0.000 -1.892 -5.426) 5.746 11.674 ( -0.000 -14.516 4.337) 15.150 12.267 ( -0.000 19.564 -1.131) 19.597 12.552 ( -0.000 10.579 5.396) 11.876 12.983 ( 0.000 -13.266 -4.770) 14.098 13.444 ( -0.000 6.140 0.442) 6.155 13.804 ( 0.000 -5.708 -5.090) 7.648 14.117 ( -0.000 8.954 7.865) 11.918 14.428 ( -0.000 4.870 6.318) 7.977 14.754 ( -0.000 6.353 4.427) 7.743 16.663 ( -0.000 1.010 -0.116) 1.017 17.476 ( -0.000 -0.506 0.162) 0.531 18.296 ( -0.000 -10.130 5.635) 11.592 18.505 ( 0.000 -4.460 -16.085) 16.692 19.112 ( 0.000 7.861 -1.438) 7.991 19.164 ( -0.000 2.128 5.880) 6.253 24.269 ( 0.000 -26.054 -14.781) 29.955 24.906 ( -0.000 20.923 10.961) 23.620 25.636 ( -0.000 -0.242 1.094) 1.121 26.085 ( -0.000 1.268 2.276) 2.606 ======================= Grid point 114 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 22.580 -1.522 0.785) 22.645 1.752 ( 4.588 -11.672 2.867) 12.865 1.931 ( 2.692 0.100 -3.681) 4.561 2.348 ( -5.649 -6.281 -2.336) 8.765 2.477 ( 0.407 -6.836 -3.941) 7.901 2.596 ( 2.944 -1.105 -5.817) 6.613 2.634 ( 4.810 -5.785 -5.807) 9.504 2.937 ( -4.844 -7.121 3.638) 9.349 3.121 ( -3.888 -5.793 -7.032) 9.906 3.226 ( -11.941 -16.203 -1.137) 20.160 3.340 ( 0.936 -12.069 -3.441) 12.584 3.592 ( -3.640 -5.412 -9.480) 11.507 3.678 ( -1.623 1.991 -3.550) 4.381 3.812 ( -3.808 5.067 -0.461) 6.355 3.965 ( 7.801 -5.817 -14.488) 17.452 4.295 ( 14.873 -25.332 1.258) 29.402 4.491 ( 2.166 5.736 1.846) 6.404 4.656 ( 3.823 1.184 2.953) 4.973 4.756 ( 0.501 -2.492 3.022) 3.948 5.974 ( 4.324 6.385 4.878) 9.125 6.097 ( -1.685 0.966 14.227) 14.359 6.364 ( 1.852 -0.417 -5.397) 5.721 6.924 ( -0.156 2.999 3.579) 4.672 7.070 ( -1.537 -0.780 3.023) 3.480 7.166 ( 2.933 4.108 1.795) 5.358 7.307 ( -8.348 5.042 -14.271) 17.285 7.680 ( -0.736 11.832 -0.208) 11.857 7.920 ( 1.979 2.642 0.388) 3.324 8.050 ( -2.999 -8.245 3.738) 9.537 8.302 ( 0.421 4.752 -2.871) 5.568 8.561 ( -0.240 4.131 4.605) 6.191 8.745 ( 0.353 3.534 10.256) 10.853 9.043 ( -0.936 1.339 7.364) 7.543 9.290 ( -0.353 -5.407 -14.955) 15.907 9.377 ( -8.249 -2.048 -8.769) 12.212 10.184 ( -5.886 0.934 -0.813) 6.015 10.344 ( 7.642 -10.006 -7.505) 14.658 10.653 ( 8.610 -3.966 -0.900) 9.522 10.780 ( -2.316 -3.228 4.386) 5.917 10.886 ( -2.557 -12.269 -10.926) 16.626 10.915 ( -1.932 -1.264 0.039) 2.309 11.267 ( 9.871 -2.603 1.953) 10.393 11.432 ( 1.604 -7.384 -2.522) 7.966 11.529 ( -1.409 -13.522 4.894) 14.449 11.709 ( 10.689 3.733 1.093) 11.375 12.424 ( -3.142 15.947 1.005) 16.284 12.602 ( -12.601 16.465 5.294) 21.398 12.793 ( -3.567 -11.291 -6.968) 13.739 13.568 ( 5.157 -0.891 3.688) 6.403 13.714 ( 2.799 -2.954 -6.948) 8.052 14.244 ( -4.378 12.887 10.164) 16.987 14.610 ( 5.757 9.398 6.621) 12.857 14.869 ( -0.544 11.299 5.069) 12.396 16.552 ( 1.777 -23.360 -0.531) 23.433 17.506 ( -7.421 17.770 -0.092) 19.257 18.113 ( -7.494 -9.675 -1.638) 12.347 18.451 ( 8.713 -8.960 -11.317) 16.860 19.156 ( -2.136 5.617 2.879) 6.663 19.238 ( 0.402 4.446 3.056) 5.410 23.960 ( 6.417 -28.580 -11.836) 31.593 25.166 ( -1.594 21.199 6.657) 22.277 25.593 ( -6.656 3.122 1.105) 7.435 26.140 ( 1.632 2.307 2.862) 4.022 ======================= Grid point 122 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 -1.833 -8.773) 8.963 1.616 ( -0.000 -16.528 3.807) 16.960 1.864 ( 0.000 -3.012 -2.081) 3.661 2.293 ( 0.000 -12.305 -9.897) 15.792 2.322 ( 0.000 -6.673 -18.626) 19.785 2.490 ( -0.000 -7.063 5.040) 8.677 2.542 ( 0.000 -2.248 -4.513) 5.042 2.955 ( -0.000 -14.329 3.123) 14.665 3.050 ( 0.000 -6.492 -6.836) 9.427 3.112 ( 0.000 -18.554 -8.417) 20.374 3.232 ( 0.000 -10.029 -0.219) 10.031 3.406 ( 0.000 -11.290 -24.257) 26.755 3.598 ( -0.000 -13.424 4.014) 14.011 3.688 ( 0.000 -7.863 -1.656) 8.035 3.858 ( 0.000 -25.959 -4.201) 26.297 4.011 ( -0.000 9.304 -0.020) 9.304 4.536 ( -0.000 4.029 1.047) 4.163 4.609 ( -0.000 -1.461 1.932) 2.422 4.767 ( -0.000 -2.137 3.215) 3.860 6.062 ( -0.000 9.799 6.472) 11.743 6.236 ( -0.000 3.187 12.539) 12.938 6.341 ( 0.000 3.872 -2.000) 4.358 6.830 ( 0.000 -12.717 -0.241) 12.720 7.164 ( -0.000 1.662 1.815) 2.461 7.236 ( -0.000 12.833 5.949) 14.144 7.371 ( 0.000 11.099 -20.531) 23.339 7.683 ( -0.000 -5.179 5.141) 7.297 8.028 ( -0.000 18.424 -1.366) 18.474 8.069 ( -0.000 -11.009 15.480) 18.995 8.267 ( 0.000 4.568 -12.530) 13.336 8.704 ( -0.000 10.475 11.034) 15.214 8.837 ( -0.000 5.022 7.696) 9.189 9.103 ( 0.000 -8.851 -18.114) 20.161 9.144 ( -0.000 2.404 8.710) 9.036 9.341 ( 0.000 -3.752 -15.169) 15.626 10.059 ( 0.000 -12.224 -3.311) 12.664 10.316 ( 0.000 3.341 -2.463) 4.151 10.512 ( -0.000 -3.637 1.016) 3.776 10.672 ( 0.000 -8.410 -16.373) 18.407 10.803 ( -0.000 -8.462 6.928) 10.937 10.906 ( 0.000 -4.419 -1.303) 4.607 11.161 ( -0.000 -12.116 2.408) 12.353 11.308 ( 0.000 -8.304 -3.287) 8.931 11.535 ( -0.000 -0.562 11.903) 11.916 11.646 ( -0.000 2.886 0.559) 2.940 12.507 ( 0.000 -9.048 -4.593) 10.147 12.711 ( 0.000 9.836 -5.283) 11.165 12.952 ( -0.000 17.675 5.289) 18.449 13.494 ( 0.000 1.938 -4.043) 4.484 13.658 ( -0.000 -5.597 2.732) 6.228 14.472 ( -0.000 12.548 8.841) 15.350 14.717 ( -0.000 11.829 9.000) 14.864 15.044 ( -0.000 15.508 4.005) 16.016 16.285 ( 0.000 -30.302 0.414) 30.305 17.731 ( -0.000 16.526 -1.761) 16.620 18.078 ( -0.000 -15.767 2.328) 15.938 18.198 ( 0.000 -1.805 -15.310) 15.416 19.255 ( -0.000 1.244 2.709) 2.981 19.280 ( -0.000 6.411 2.372) 6.836 23.548 ( 0.000 -27.974 -9.261) 29.468 25.411 ( -0.000 19.925 2.924) 20.139 25.705 ( -0.000 5.308 1.384) 5.486 26.177 ( -0.000 3.110 4.165) 5.199 ======================= Grid point 151 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 -0.000 3.201) 3.201 1.111 ( -0.000 -0.000 13.466) 13.466 1.111 ( -0.000 -0.000 13.466) 13.466 1.597 ( -0.000 -0.000 6.404) 6.404 1.597 ( -0.000 -0.000 6.404) 6.404 2.383 ( -0.000 -0.000 40.231) 40.231 2.400 ( -0.000 -0.000 16.860) 16.860 2.400 ( -0.000 -0.000 16.860) 16.860 2.502 ( 0.000 0.000 -1.113) 1.113 3.083 ( -0.000 -0.000 12.103) 12.103 3.083 ( -0.000 -0.000 12.103) 12.103 3.193 ( -0.000 -0.000 20.302) 20.302 3.492 ( -0.000 -0.000 15.703) 15.703 3.492 ( -0.000 -0.000 15.703) 15.703 3.844 ( -0.000 -0.000 6.361) 6.361 4.230 ( -0.000 -0.000 1.670) 1.670 4.230 ( -0.000 -0.000 1.670) 1.670 4.721 ( -0.000 -0.000 1.354) 1.354 4.721 ( -0.000 -0.000 1.354) 1.354 6.093 ( 0.000 0.000 -12.727) 12.727 6.105 ( 0.000 0.000 -29.158) 29.158 6.365 ( 0.000 0.000 -0.995) 0.995 6.499 ( 0.000 0.000 -17.758) 17.758 6.499 ( 0.000 0.000 -17.758) 17.758 7.249 ( -0.000 -0.000 5.761) 5.761 7.249 ( -0.000 -0.000 5.761) 5.761 7.803 ( 0.000 0.000 -6.804) 6.804 8.585 ( -0.000 -0.000 19.536) 19.536 8.700 ( -0.000 -0.000 6.532) 6.532 8.700 ( -0.000 -0.000 6.532) 6.532 8.724 ( 0.000 0.000 -12.405) 12.405 8.946 ( 0.000 0.000 -10.568) 10.568 8.946 ( 0.000 0.000 -10.568) 10.568 9.016 ( -0.000 -0.000 1.093) 1.093 9.831 ( -0.000 -0.000 12.018) 12.018 9.831 ( -0.000 -0.000 12.018) 12.018 9.967 ( -0.000 -0.000 8.863) 8.863 10.490 ( -0.000 -0.000 7.948) 7.948 10.490 ( -0.000 -0.000 7.948) 7.948 10.695 ( -0.000 -0.000 1.121) 1.121 10.695 ( -0.000 -0.000 1.121) 1.121 10.890 ( -0.000 -0.000 0.600) 0.600 10.890 ( -0.000 -0.000 0.600) 0.600 11.766 ( -0.000 -0.000 11.495) 11.495 11.837 ( 0.000 0.000 -2.683) 2.683 11.837 ( 0.000 0.000 -2.683) 2.683 12.941 ( 0.000 0.000 -9.110) 9.110 13.424 ( 0.000 0.000 -8.324) 8.324 13.424 ( 0.000 0.000 -8.324) 8.324 13.632 ( -0.000 -0.000 5.447) 5.447 14.828 ( 0.000 0.000 -6.175) 6.175 15.051 ( 0.000 0.000 -1.630) 1.630 15.082 ( 0.000 0.000 -9.931) 9.931 15.082 ( 0.000 0.000 -9.931) 9.931 18.108 ( -0.000 -0.000 16.158) 16.158 18.108 ( -0.000 -0.000 16.158) 16.158 18.316 ( -0.000 -0.000 0.076) 0.076 19.267 ( 0.000 0.000 -3.772) 3.772 19.267 ( 0.000 0.000 -3.772) 3.772 22.667 ( -0.000 -0.000 16.610) 16.610 26.040 ( 0.000 0.000 -0.338) 0.338 26.040 ( 0.000 0.000 -0.338) 0.338 26.191 ( 0.000 0.000 -7.070) 7.070 ======================= Grid point 152 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -2.060 -1.189 6.209) 6.649 1.411 ( 17.557 10.137 1.643) 20.340 1.542 ( 23.464 13.547 4.446) 27.456 1.768 ( 10.861 6.270 7.795) 14.766 1.891 ( 18.520 10.692 4.415) 21.836 2.394 ( -5.662 -3.269 19.013) 20.106 2.499 ( 0.180 0.104 7.446) 7.449 2.556 ( 2.926 1.689 7.741) 8.446 2.755 ( 10.539 6.085 18.832) 22.422 3.065 ( -3.006 -1.735 11.360) 11.879 3.085 ( -3.677 -2.123 12.838) 13.522 3.415 ( 2.057 1.187 11.832) 12.068 3.516 ( -3.233 -1.867 14.221) 14.703 3.800 ( 1.100 0.635 11.961) 12.028 3.943 ( 14.008 8.088 23.791) 28.769 4.202 ( -2.171 -1.253 0.831) 2.641 4.485 ( 13.872 8.009 -0.709) 16.034 4.602 ( -7.386 -4.264 -1.460) 8.653 4.792 ( 1.649 0.952 3.088) 3.628 5.891 ( -1.051 -0.607 -22.795) 22.827 6.067 ( 4.469 2.580 -13.027) 14.012 6.310 ( -0.123 -0.071 -9.376) 9.377 6.396 ( 3.579 2.066 -1.373) 4.355 6.532 ( 6.549 3.781 -19.269) 20.700 7.222 ( -2.931 -1.692 -1.560) 3.727 7.393 ( 6.419 3.706 8.658) 11.397 7.614 ( -11.525 -6.654 -5.369) 14.350 8.523 ( -5.482 -3.165 -12.103) 13.659 8.677 ( -0.424 -0.245 18.816) 18.822 8.735 ( 0.097 0.056 -8.292) 8.293 8.791 ( 3.473 2.005 -11.039) 11.745 8.847 ( -5.867 -3.388 1.607) 6.963 8.955 ( 1.673 0.966 1.727) 2.591 8.961 ( -3.217 -1.857 1.025) 3.854 9.600 ( -16.548 -9.554 15.598) 24.666 9.877 ( 0.080 0.046 12.466) 12.467 10.311 ( 11.906 6.874 3.694) 14.236 10.529 ( -4.519 -2.609 -0.781) 5.276 10.565 ( 5.173 2.986 7.374) 9.490 10.726 ( 1.025 0.592 4.798) 4.942 10.745 ( 4.576 2.642 4.189) 6.743 10.982 ( 8.316 4.801 1.242) 9.682 11.020 ( 8.059 4.653 6.018) 11.082 11.600 ( -7.576 -4.374 -2.582) 9.121 11.900 ( 2.312 1.335 -2.544) 3.688 12.026 ( 8.289 4.786 11.736) 15.144 12.771 ( -7.079 -4.087 -11.733) 14.300 13.298 ( -6.006 -3.468 -9.059) 11.409 13.450 ( 3.242 1.872 -1.521) 4.040 13.651 ( 1.472 0.850 -0.489) 1.769 14.657 ( -8.679 -5.011 -5.126) 11.256 14.956 ( -5.170 -2.985 -9.893) 11.554 15.090 ( 3.352 1.935 -12.343) 12.936 15.201 ( 14.375 8.300 -1.805) 16.697 18.089 ( -6.124 -3.536 14.488) 16.122 18.276 ( 1.474 0.851 15.545) 15.638 18.305 ( -2.251 -1.300 1.760) 3.139 19.202 ( -2.391 -1.381 -6.106) 6.701 19.240 ( -0.273 -0.158 -3.658) 3.672 22.984 ( 16.378 9.456 15.630) 24.534 25.883 ( -11.530 -6.657 -3.287) 13.714 25.997 ( -4.138 -2.389 -0.413) 4.796 26.161 ( 0.622 0.359 -4.552) 4.608 ======================= Grid point 153 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -4.170 -2.408 6.436) 8.038 1.697 ( 8.627 4.981 -2.526) 10.277 1.975 ( 12.907 7.452 -1.838) 15.017 2.123 ( 13.295 7.676 6.365) 16.619 2.243 ( 1.745 1.007 18.913) 19.020 2.454 ( 5.048 2.915 4.574) 7.410 2.581 ( 2.934 1.694 7.626) 8.345 2.650 ( 0.487 0.281 5.980) 6.007 3.073 ( 8.667 5.004 6.882) 12.145 3.156 ( 5.302 3.061 9.095) 10.964 3.258 ( 12.976 7.492 8.749) 17.351 3.482 ( -1.498 -0.865 8.147) 8.329 3.541 ( -3.934 -2.271 14.840) 15.520 3.861 ( 0.440 0.254 6.643) 6.663 4.130 ( -4.219 -2.436 -1.618) 5.133 4.344 ( -8.536 -4.928 7.017) 12.099 4.501 ( 13.297 7.677 7.549) 17.110 4.705 ( 6.159 3.556 -0.462) 7.126 4.822 ( -0.804 -0.464 1.757) 1.987 5.800 ( 4.051 2.339 -12.430) 13.281 6.062 ( 0.761 0.439 -6.670) 6.728 6.342 ( 4.951 2.859 2.465) 6.226 6.497 ( 6.657 3.843 -7.722) 10.895 6.556 ( 6.937 4.005 -10.874) 13.506 7.131 ( -1.746 -1.008 -6.293) 6.608 7.296 ( -12.231 -7.062 -4.528) 14.831 7.593 ( 5.346 3.087 7.790) 9.939 8.327 ( -4.861 -2.807 -11.188) 12.517 8.518 ( -15.398 -8.890 0.138) 17.781 8.721 ( 0.379 0.219 -16.391) 16.397 8.723 ( -5.767 -3.329 -0.219) 6.663 8.834 ( 1.809 1.044 17.818) 17.940 8.973 ( -1.947 -1.124 1.870) 2.925 8.976 ( 4.676 2.700 -1.495) 5.603 9.405 ( -10.304 -5.949 12.938) 17.578 10.014 ( 4.255 2.457 11.769) 12.754 10.393 ( -5.487 -3.168 -2.657) 6.870 10.496 ( 4.253 2.456 -0.366) 4.925 10.752 ( 1.828 1.055 10.729) 10.935 10.849 ( 2.637 1.522 2.482) 3.928 10.861 ( 11.656 6.729 3.540) 13.917 11.215 ( 7.623 4.401 8.119) 11.975 11.269 ( 7.620 4.399 6.799) 11.119 11.465 ( 0.326 0.188 -8.200) 8.208 11.929 ( 4.208 2.430 -5.678) 7.473 12.171 ( -4.978 -2.874 2.907) 6.441 12.641 ( 4.660 2.691 -1.467) 5.577 13.037 ( -11.987 -6.921 -8.358) 16.169 13.422 ( -7.689 -4.439 8.302) 12.156 13.758 ( 10.987 6.343 -10.692) 16.591 14.414 ( -10.149 -5.859 -3.480) 12.225 14.755 ( -5.646 -3.260 -10.107) 12.027 15.005 ( -2.820 -1.628 -11.207) 11.670 15.637 ( 25.158 14.525 -1.229) 29.076 18.027 ( -8.057 -4.652 8.643) 12.699 18.218 ( -7.959 -4.595 7.562) 11.901 18.459 ( 7.486 4.322 11.314) 14.238 19.059 ( -6.042 -3.489 -9.475) 11.767 19.219 ( 0.673 0.389 -2.916) 3.017 23.515 ( 19.962 11.525 15.408) 27.726 25.527 ( -16.978 -9.802 -5.711) 20.419 25.870 ( -6.318 -3.648 -0.800) 7.339 26.144 ( 0.308 0.178 -3.188) 3.208 ======================= Grid point 154 (50/65) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -4.631 -2.674 7.549) 9.251 1.807 ( 3.158 1.823 -0.370) 3.665 2.082 ( -0.595 -0.343 -3.370) 3.440 2.316 ( -5.584 -3.224 22.282) 23.196 2.368 ( 5.035 2.907 7.194) 9.250 2.579 ( 3.069 1.772 0.704) 3.613 2.613 ( -5.925 -3.421 8.422) 10.850 2.777 ( 9.286 5.361 -0.295) 10.726 3.282 ( 0.765 0.442 8.937) 8.981 3.383 ( 7.451 4.302 9.750) 13.004 3.446 ( 4.107 2.371 -4.517) 6.549 3.535 ( -6.440 -3.718 15.627) 17.306 3.575 ( 4.599 2.655 -0.981) 5.400 3.845 ( -6.528 -3.769 5.837) 9.534 3.996 ( -5.158 -2.978 -6.076) 8.509 4.219 ( 2.162 1.248 -2.679) 3.662 4.716 ( 0.539 0.311 -1.731) 1.840 4.775 ( -3.352 -1.935 -1.233) 4.062 4.830 ( 3.061 1.768 4.208) 5.496 5.859 ( 5.345 3.086 -4.796) 7.816 6.039 ( -0.777 -0.449 6.041) 6.107 6.490 ( 1.427 0.824 -16.509) 16.591 6.557 ( 9.068 5.235 13.987) 17.472 6.747 ( 11.596 6.695 -2.178) 13.566 7.086 ( -1.952 -1.127 -5.532) 5.973 7.097 ( 3.082 1.779 -6.350) 7.279 7.711 ( -0.353 -0.204 5.955) 5.969 8.114 ( -10.908 -6.298 -2.179) 12.783 8.218 ( -6.897 -3.982 -3.569) 8.728 8.580 ( -2.479 -1.431 -17.290) 17.525 8.603 ( -3.779 -2.182 0.203) 4.368 8.908 ( -2.899 -1.674 -2.858) 4.401 8.991 ( 0.338 0.195 18.639) 18.644 9.097 ( 4.688 2.706 2.534) 5.977 9.299 ( -5.488 -3.168 6.353) 8.973 10.188 ( 3.323 1.919 10.041) 10.750 10.277 ( -2.979 -1.720 -2.463) 4.231 10.550 ( 1.645 0.950 -0.852) 2.082 10.766 ( -5.468 -3.157 11.118) 12.786 10.903 ( 0.811 0.468 2.491) 2.661 11.210 ( 9.280 5.358 6.426) 12.494 11.269 ( -0.229 -0.132 1.469) 1.493 11.356 ( -1.746 -1.008 0.719) 2.141 11.585 ( 6.240 3.603 -4.067) 8.274 11.997 ( 0.192 0.111 -6.604) 6.608 12.038 ( 7.823 4.517 -10.255) 13.667 12.687 ( -12.230 -7.061 -5.638) 15.206 12.840 ( 3.991 2.304 11.852) 12.717 13.291 ( -6.915 -3.992 8.071) 11.353 13.915 ( 7.942 4.585 -12.762) 15.715 14.206 ( -4.560 -2.633 -1.467) 5.466 14.608 ( -0.729 -0.421 -9.776) 9.812 14.868 ( -2.074 -1.198 -7.930) 8.284 16.241 ( 27.797 16.049 -0.357) 32.099 17.773 ( -16.857 -9.733 0.363) 19.469 18.141 ( -6.048 -3.492 15.934) 17.397 18.726 ( 0.652 0.377 9.855) 9.884 18.829 ( 1.292 0.746 -13.929) 14.009 19.229 ( 1.566 0.904 -2.098) 2.770 23.991 ( 10.048 5.801 15.695) 19.518 25.121 ( -12.266 -7.082 -7.871) 16.204 25.734 ( -4.703 -2.715 -1.304) 5.585 26.136 ( 1.045 0.603 -3.066) 3.295 ======================= Grid point 155 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -3.152 -1.820 8.663) 9.397 1.857 ( 0.932 0.538 2.308) 2.546 1.937 ( -9.787 -5.650 -4.710) 12.243 2.326 ( -6.137 -3.543 18.823) 20.112 2.457 ( -6.791 -3.921 11.719) 14.101 2.516 ( -1.230 -0.710 1.395) 1.991 2.599 ( -0.944 -0.545 -2.658) 2.873 2.962 ( 6.884 3.975 -1.342) 8.062 3.167 ( -8.727 -5.039 1.281) 10.158 3.416 ( -11.347 -6.551 -0.569) 13.114 3.460 ( -10.094 -5.828 15.447) 19.351 3.510 ( -7.227 -4.172 12.627) 15.136 3.605 ( 4.100 2.367 1.075) 4.854 3.781 ( -3.142 -1.814 2.889) 4.638 3.881 ( 2.981 1.721 -8.212) 8.904 4.289 ( -4.114 -2.375 5.613) 7.353 4.562 ( -8.045 -4.645 -9.883) 13.564 4.679 ( -3.537 -2.042 -2.253) 4.664 4.824 ( -1.716 -0.991 -1.723) 2.626 5.945 ( 5.314 3.068 -3.513) 7.071 6.154 ( 3.954 2.283 12.226) 13.050 6.366 ( -0.261 -0.151 -18.161) 18.164 6.916 ( 11.875 6.856 19.204) 23.597 6.928 ( 4.903 2.831 -2.862) 6.344 7.129 ( 4.283 2.473 -4.110) 6.431 7.164 ( 4.631 2.674 -1.662) 5.600 7.649 ( -0.089 -0.051 0.120) 0.158 7.956 ( -4.138 -2.389 -1.775) 5.097 8.147 ( 0.080 0.046 6.115) 6.116 8.367 ( -5.983 -3.454 -17.851) 19.141 8.595 ( 4.502 2.599 -4.543) 6.904 8.836 ( -0.202 -0.117 -5.758) 5.763 9.093 ( -3.081 -1.779 18.587) 18.924 9.166 ( 1.802 1.040 -6.545) 6.868 9.279 ( -1.896 -1.094 14.007) 14.177 10.216 ( -3.977 -2.296 2.259) 5.117 10.263 ( -0.371 -0.214 4.358) 4.379 10.558 ( -0.579 -0.334 -0.647) 0.931 10.711 ( -6.680 -3.857 14.040) 16.019 10.926 ( -0.209 -0.121 2.266) 2.279 11.073 ( -10.092 -5.826 -5.539) 12.902 11.290 ( -1.792 -1.035 -3.947) 4.456 11.443 ( -5.812 -3.356 6.114) 9.079 11.539 ( 6.267 3.618 -4.321) 8.429 11.862 ( -14.829 -8.562 -13.410) 21.749 12.259 ( 18.129 10.467 -0.316) 20.936 12.661 ( 11.770 6.796 -3.820) 14.118 12.816 ( -11.756 -6.787 10.434) 17.121 13.343 ( 4.459 2.574 10.213) 11.437 13.836 ( -5.518 -3.186 -8.306) 10.469 14.280 ( 10.497 6.060 -6.565) 13.785 14.598 ( 5.671 3.274 -9.186) 11.282 14.854 ( 5.517 3.185 -4.805) 7.979 16.661 ( 1.305 0.753 0.148) 1.514 17.481 ( -0.956 -0.552 -0.317) 1.148 18.147 ( -3.972 -2.293 16.964) 17.573 18.431 ( -14.720 -8.499 -6.138) 18.072 19.088 ( 12.134 7.006 0.206) 14.013 19.247 ( 1.247 0.720 -2.103) 2.549 23.988 ( -18.616 -10.748 11.785) 24.514 25.076 ( 12.617 7.285 -5.408) 15.541 25.665 ( -0.262 -0.151 -1.558) 1.588 26.149 ( 2.120 1.224 -3.437) 4.219 ======================= Grid point 160 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.000 1.480 2.940) 3.292 1.437 ( -0.000 18.503 1.950) 18.605 1.567 ( -0.000 27.058 2.062) 27.137 1.807 ( -0.000 13.556 5.268) 14.544 1.919 ( -0.000 19.659 5.299) 20.361 2.515 ( 0.000 2.795 -0.864) 2.925 2.551 ( -0.000 -6.014 16.296) 17.370 2.603 ( -0.000 2.509 12.015) 12.274 2.839 ( -0.000 6.035 12.978) 14.313 3.068 ( -0.000 -6.320 11.517) 13.137 3.200 ( -0.000 -0.869 1.909) 2.098 3.524 ( -0.000 -0.733 11.782) 11.805 3.785 ( -0.000 2.793 26.790) 26.936 3.899 ( -0.000 2.835 10.103) 10.493 3.961 ( -0.000 10.296 21.528) 23.864 4.244 ( 0.000 -1.185 -1.334) 1.784 4.438 ( -0.000 12.847 -0.457) 12.855 4.645 ( -0.000 -6.144 2.075) 6.485 4.768 ( -0.000 -2.109 2.349) 3.157 5.741 ( 0.000 0.225 -19.468) 19.469 5.992 ( 0.000 9.388 -14.815) 17.539 6.158 ( 0.000 -5.459 -8.031) 9.710 6.391 ( 0.000 4.352 -1.006) 4.467 6.490 ( 0.000 15.151 -17.221) 22.937 7.326 ( -0.000 4.970 1.914) 5.325 7.338 ( -0.000 -0.019 1.840) 1.840 7.582 ( 0.000 -12.426 -5.140) 13.448 8.493 ( 0.000 -5.003 -9.597) 10.823 8.518 ( 0.000 -4.886 -13.433) 14.294 8.735 ( -0.000 -6.658 13.813) 15.333 8.767 ( 0.000 5.986 -11.871) 13.295 8.885 ( -0.000 -5.480 4.402) 7.029 8.944 ( 0.000 -8.715 0.476) 8.728 9.058 ( -0.000 9.887 5.229) 11.184 9.675 ( -0.000 -14.827 12.205) 19.204 10.095 ( -0.000 2.659 13.863) 14.115 10.306 ( -0.000 12.622 6.367) 14.137 10.542 ( -0.000 1.513 4.232) 4.494 10.568 ( 0.000 -0.430 -0.909) 1.006 10.770 ( -0.000 2.832 4.899) 5.658 10.797 ( -0.000 6.184 3.443) 7.078 10.893 ( -0.000 1.175 1.641) 2.018 11.107 ( -0.000 12.910 6.547) 14.475 11.660 ( 0.000 -10.088 0.514) 10.101 11.716 ( -0.000 -6.612 2.095) 6.936 12.182 ( -0.000 13.826 7.545) 15.751 12.734 ( 0.000 -2.217 -12.112) 12.314 13.225 ( 0.000 -7.100 -9.118) 11.556 13.414 ( 0.000 9.260 -7.868) 12.151 13.645 ( -0.000 -6.007 4.257) 7.363 14.632 ( 0.000 -8.957 -4.106) 9.854 14.859 ( 0.000 -8.820 -8.231) 12.064 15.018 ( 0.000 2.926 -12.034) 12.384 15.194 ( -0.000 17.049 -1.695) 17.133 18.177 ( -0.000 -8.295 15.910) 17.943 18.248 ( -0.000 -5.631 2.242) 6.060 18.481 ( -0.000 7.723 11.971) 14.246 19.166 ( 0.000 -2.657 -6.051) 6.609 19.202 ( 0.000 -1.018 -4.997) 5.100 23.085 ( -0.000 18.114 15.085) 23.573 25.889 ( 0.000 -12.243 -4.689) 13.110 25.967 ( 0.000 -6.179 0.100) 6.180 26.126 ( 0.000 0.241 -3.151) 3.160 ======================= Grid point 161 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 3.317 7.721 0.512) 8.419 1.563 ( 2.755 13.546 0.058) 13.823 1.822 ( 6.589 11.217 -0.674) 13.026 2.136 ( 8.188 16.414 4.723) 18.941 2.226 ( 11.510 15.082 2.606) 19.150 2.538 ( -4.544 -4.017 14.385) 15.612 2.567 ( 2.336 3.172 0.386) 3.958 2.715 ( -0.192 0.811 8.511) 8.551 3.063 ( 7.467 10.074 5.398) 13.652 3.141 ( 4.065 1.013 8.640) 9.602 3.220 ( 3.966 2.166 2.884) 5.361 3.558 ( -2.001 -3.278 8.532) 9.356 3.875 ( -13.372 6.263 16.039) 21.801 3.910 ( 0.207 2.462 13.536) 13.759 4.173 ( -4.033 -3.061 -1.082) 5.177 4.370 ( 3.896 2.203 -6.946) 8.263 4.485 ( 3.133 0.162 12.400) 12.790 4.634 ( 4.745 1.008 4.217) 6.427 4.808 ( 2.907 -1.499 2.376) 4.043 5.666 ( 3.173 3.309 -11.313) 12.206 6.038 ( 3.073 11.043 -10.489) 15.538 6.140 ( 7.228 -5.205 -1.651) 9.058 6.468 ( 3.525 7.666 -1.356) 8.546 6.544 ( 1.161 16.385 -12.640) 20.727 7.204 ( -8.164 1.992 -1.981) 8.634 7.340 ( -8.316 -14.170 -3.642) 16.829 7.535 ( 8.778 3.983 1.893) 9.824 8.302 ( -4.468 -4.501 -7.414) 9.756 8.482 ( 5.220 -6.661 -10.595) 13.559 8.654 ( -7.398 -6.152 -3.002) 10.079 8.751 ( -1.656 -8.244 1.710) 8.580 8.850 ( 1.008 -3.344 -2.520) 4.307 8.895 ( 4.236 -3.570 11.213) 12.507 9.126 ( -6.166 8.251 1.458) 10.403 9.564 ( -7.490 -8.220 8.315) 13.885 10.166 ( -1.850 4.289 11.015) 11.964 10.455 ( -5.637 -0.962 -1.388) 5.884 10.502 ( 1.504 11.362 3.297) 11.926 10.730 ( 10.408 7.773 2.929) 13.316 10.824 ( 0.089 3.128 1.711) 3.567 10.888 ( 1.220 4.745 3.404) 5.965 11.067 ( 12.211 1.422 8.057) 14.699 11.325 ( 4.750 12.712 6.191) 14.916 11.477 ( -6.947 -7.390 2.839) 10.533 11.766 ( 7.181 -6.895 -1.600) 10.083 12.247 ( -4.825 -3.783 -3.716) 7.169 12.668 ( -1.789 11.335 -2.090) 11.664 13.056 ( -4.128 -7.117 -6.640) 10.573 13.517 ( 3.073 6.241 -1.127) 7.047 13.580 ( 1.063 -5.757 -3.088) 6.619 14.459 ( -6.343 -9.678 -2.054) 11.752 14.734 ( -0.263 -7.164 -7.305) 10.235 14.898 ( -2.358 -4.026 -10.767) 11.734 15.489 ( 12.476 22.367 -1.238) 25.641 18.132 ( -5.521 -7.669 4.317) 10.389 18.257 ( 2.151 -6.282 11.775) 13.519 18.577 ( -3.662 6.795 7.872) 11.025 19.061 ( -4.239 -3.049 -6.175) 8.086 19.169 ( 1.785 -1.229 -5.018) 5.466 23.493 ( 12.360 21.067 13.285) 27.804 25.617 ( -10.853 -14.910 -5.532) 19.254 25.875 ( -2.943 -8.529 -0.353) 9.030 26.115 ( 0.700 -0.544 -1.869) 2.068 ======================= Grid point 162 (54/65) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -11.852 18.684 1.074) 22.152 1.750 ( 6.405 4.073 0.563) 7.612 1.998 ( 6.558 1.540 -2.427) 7.160 2.374 ( 3.904 5.903 6.980) 9.941 2.493 ( 4.877 -1.567 2.738) 5.809 2.538 ( -3.449 4.994 12.428) 13.830 2.678 ( 4.472 3.407 -0.135) 5.624 2.737 ( -0.243 0.082 3.262) 3.272 3.231 ( 9.330 1.280 1.065) 9.478 3.359 ( 8.554 5.717 7.092) 12.496 3.437 ( 2.423 9.863 0.835) 10.190 3.509 ( -1.738 -4.587 4.484) 6.646 3.769 ( -10.260 -4.232 5.500) 12.386 4.012 ( -4.910 -1.374 1.056) 5.206 4.052 ( -9.055 0.703 12.091) 15.122 4.185 ( -1.077 1.391 -6.703) 6.930 4.636 ( 4.824 -2.688 -5.672) 7.917 4.792 ( 3.160 1.056 4.108) 5.289 4.844 ( 0.476 1.233 3.252) 3.511 5.755 ( 7.236 5.806 -4.485) 10.304 6.130 ( 0.599 10.457 0.066) 10.474 6.226 ( 8.662 -6.095 -2.892) 10.979 6.646 ( 8.091 10.883 -0.694) 13.579 6.682 ( 3.541 15.765 -1.799) 16.258 7.043 ( -5.771 -12.783 -3.980) 14.579 7.116 ( -4.177 4.200 -1.400) 6.086 7.691 ( 5.014 1.124 1.322) 5.306 8.145 ( -5.418 -6.230 -3.388) 8.924 8.319 ( -8.978 -10.720 0.802) 14.006 8.450 ( -2.618 -3.819 -11.314) 12.225 8.632 ( -1.979 -7.065 -1.877) 7.574 8.896 ( 5.706 -1.241 -3.781) 6.957 9.025 ( 0.754 -3.604 6.823) 7.753 9.079 ( -1.529 3.593 7.813) 8.735 9.423 ( -6.651 -3.066 2.307) 7.679 10.214 ( 0.141 -4.664 1.763) 4.988 10.394 ( -5.375 9.239 4.742) 11.693 10.642 ( -2.784 13.215 4.214) 14.147 10.841 ( 0.522 -1.717 3.560) 3.986 10.925 ( -1.714 0.777 5.957) 6.247 11.086 ( 13.197 7.679 -0.909) 15.296 11.301 ( 5.451 -2.630 7.877) 9.934 11.359 ( -0.745 -0.802 -0.004) 1.095 11.554 ( 3.478 9.315 8.317) 12.963 11.826 ( 9.545 0.071 -10.630) 14.287 12.003 ( -6.409 -3.361 -10.595) 12.831 12.615 ( -5.936 -15.971 -3.114) 17.321 13.034 ( -2.095 12.930 8.865) 15.816 13.415 ( -6.119 -5.300 2.005) 8.340 13.712 ( 10.820 5.603 -8.807) 15.035 14.237 ( -6.802 -9.526 -1.345) 11.783 14.610 ( -4.702 1.498 -7.130) 8.672 14.766 ( 2.098 -7.833 -6.898) 10.646 15.990 ( 21.623 22.100 -0.097) 30.918 17.902 ( -11.962 -13.999 0.401) 18.418 18.293 ( -3.727 -5.075 14.850) 16.129 18.683 ( 6.762 7.743 -4.212) 11.109 18.886 ( -9.577 -2.415 0.572) 9.893 19.172 ( 3.150 -0.370 -4.017) 5.118 24.007 ( 13.460 18.995 11.978) 26.181 25.206 ( -14.854 -15.029 -6.349) 22.064 25.725 ( -3.282 -9.269 -1.007) 9.884 26.111 ( 0.547 0.291 -1.679) 1.789 ======================= Grid point 163 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -13.941 21.482 0.982) 25.628 1.858 ( 2.041 1.904 3.029) 4.119 1.989 ( -4.629 -3.001 -3.068) 6.312 2.433 ( -1.890 -6.998 5.437) 9.061 2.538 ( 0.483 5.252 3.247) 6.193 2.583 ( -5.186 -3.013 8.050) 10.039 2.673 ( -3.168 3.016 -0.110) 4.376 2.867 ( 7.082 4.484 -0.247) 8.386 3.278 ( -9.194 -5.779 -1.319) 10.939 3.443 ( 8.914 0.029 -0.113) 8.915 3.541 ( 0.321 -6.986 6.655) 9.654 3.564 ( -2.525 -6.351 1.869) 7.085 3.599 ( -1.580 -1.139 6.186) 6.486 3.789 ( -3.259 -7.742 -4.586) 9.570 4.010 ( -13.024 5.077 16.725) 21.798 4.324 ( 6.227 8.969 0.513) 10.931 4.618 ( -0.196 -0.620 -7.327) 7.355 4.731 ( -8.603 -0.153 -3.190) 9.176 4.836 ( -3.365 -1.241 -1.865) 4.042 5.887 ( 3.754 6.329 -3.046) 7.964 6.200 ( 2.725 -4.704 -12.987) 14.079 6.274 ( -1.414 10.007 9.361) 13.775 6.834 ( 5.421 -0.027 -4.436) 7.004 6.949 ( 7.958 11.463 10.473) 17.447 6.987 ( 11.120 3.737 -2.069) 11.912 7.146 ( 2.196 3.101 3.234) 4.990 7.673 ( -5.581 -6.834 0.324) 8.829 7.962 ( -3.222 -4.523 -1.930) 5.879 8.182 ( -2.911 -3.756 4.914) 6.836 8.300 ( -1.498 -0.907 -13.748) 13.859 8.550 ( 0.387 -3.399 -1.799) 3.865 8.823 ( -4.240 0.507 -9.461) 10.380 9.050 ( 3.610 -2.844 -0.891) 4.681 9.226 ( 2.469 -0.391 14.549) 14.762 9.346 ( -1.158 -3.237 5.042) 6.102 10.171 ( 2.235 -5.863 -0.354) 6.284 10.434 ( -7.011 7.421 6.154) 11.920 10.696 ( -7.466 8.911 4.017) 12.300 10.839 ( -1.825 -3.248 5.069) 6.291 10.923 ( -1.454 -1.755 4.381) 4.939 11.088 ( -3.692 -9.852 -2.192) 10.747 11.299 ( -4.983 3.016 -0.853) 5.886 11.527 ( 3.481 9.412 -4.176) 10.869 11.592 ( -5.577 1.718 5.379) 7.937 11.866 ( -1.376 -2.965 -9.217) 9.779 12.069 ( 12.788 8.926 -2.435) 15.784 12.388 ( 9.823 -13.578 -2.661) 16.969 13.022 ( -11.530 -7.030 8.078) 15.736 13.441 ( 1.666 12.768 4.264) 13.564 13.811 ( 0.062 -1.812 -3.299) 3.764 14.110 ( 5.776 -2.454 -6.674) 9.161 14.542 ( -0.690 5.353 -6.535) 8.476 14.748 ( 5.141 -0.144 -4.254) 6.674 16.547 ( 18.428 15.040 0.584) 23.793 17.516 ( -12.295 -16.423 -0.424) 20.520 18.248 ( -3.852 -9.192 9.816) 13.989 18.609 ( -12.298 1.654 -3.385) 12.862 18.974 ( 9.489 6.460 3.432) 11.981 19.198 ( 3.041 0.105 -3.476) 4.620 24.309 ( -11.373 3.258 14.615) 18.803 24.902 ( 5.093 -1.195 -10.137) 11.407 25.606 ( 0.570 -7.785 -1.377) 7.926 26.119 ( 0.838 1.647 -2.097) 2.795 ======================= Grid point 169 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.000 -1.327 0.247) 1.350 1.721 ( 0.000 11.125 -2.145) 11.330 1.968 ( 0.000 14.413 -4.262) 15.030 2.195 ( -0.000 18.317 1.475) 18.377 2.315 ( -0.000 6.862 9.311) 11.566 2.581 ( -0.000 4.901 0.160) 4.904 2.630 ( -0.000 -0.347 6.537) 6.546 2.827 ( -0.000 5.163 4.081) 6.581 3.127 ( -0.000 11.575 5.166) 12.676 3.185 ( -0.000 5.089 7.183) 8.803 3.214 ( -0.000 2.720 3.208) 4.206 3.590 ( -0.000 -3.851 5.435) 6.661 3.963 ( -0.000 2.827 6.232) 6.843 4.115 ( 0.000 -8.017 -3.053) 8.579 4.246 ( 0.000 2.324 -5.997) 6.431 4.355 ( -0.000 8.206 17.258) 19.110 4.434 ( 0.000 -5.113 -10.355) 11.548 4.614 ( -0.000 -4.152 11.127) 11.877 4.803 ( -0.000 -0.063 6.286) 6.286 5.632 ( 0.000 5.959 -5.019) 7.791 6.010 ( 0.000 5.064 -2.614) 5.699 6.093 ( 0.000 5.381 -2.362) 5.877 6.516 ( -0.000 10.568 -1.443) 10.666 6.608 ( 0.000 17.606 -11.454) 21.004 7.237 ( 0.000 -16.069 -2.470) 16.258 7.285 ( 0.000 -0.445 -7.433) 7.446 7.517 ( -0.000 9.322 3.817) 10.073 8.272 ( 0.000 -7.809 -4.732) 9.131 8.292 ( 0.000 -4.373 -3.893) 5.855 8.593 ( 0.000 -14.848 -3.126) 15.173 8.743 ( 0.000 -4.611 -4.558) 6.483 8.784 ( -0.000 -6.820 11.547) 13.411 8.876 ( -0.000 -1.113 4.436) 4.573 9.273 ( 0.000 9.346 -2.438) 9.659 9.621 ( -0.000 -3.941 2.485) 4.659 10.226 ( -0.000 -2.702 6.046) 6.622 10.487 ( -0.000 2.643 -0.251) 2.655 10.571 ( 0.000 3.001 -9.693) 10.147 10.761 ( -0.000 14.176 8.009) 16.282 10.890 ( -0.000 3.777 0.637) 3.830 10.919 ( -0.000 4.429 0.805) 4.501 11.105 ( -0.000 7.232 15.187) 16.821 11.428 ( -0.000 12.150 -0.461) 12.159 11.532 ( -0.000 -7.223 9.481) 11.919 11.630 ( -0.000 -4.592 4.795) 6.639 12.157 ( 0.000 -10.079 -13.369) 16.743 12.865 ( -0.000 20.616 0.303) 20.619 12.924 ( 0.000 -13.021 -5.679) 14.206 13.466 ( 0.000 -1.583 -4.022) 4.322 13.575 ( -0.000 0.868 1.954) 2.138 14.404 ( 0.000 -11.343 -1.365) 11.425 14.570 ( 0.000 -10.724 -3.190) 11.189 14.840 ( 0.000 -4.838 -7.436) 8.871 15.633 ( -0.000 29.625 -1.033) 29.643 18.094 ( 0.000 -12.818 0.555) 12.830 18.295 ( -0.000 -0.745 14.589) 14.608 18.689 ( 0.000 1.540 -1.477) 2.133 19.055 ( 0.000 -0.433 -0.189) 0.472 19.082 ( 0.000 -2.677 -7.157) 7.641 23.704 ( -0.000 26.189 10.145) 28.085 25.483 ( 0.000 -21.596 -6.077) 22.435 25.829 ( 0.000 -8.131 0.793) 8.170 26.090 ( 0.000 -1.124 -0.509) 1.234 ======================= Grid point 170 (57/65) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 17.810 -0.700 0.577) 17.833 1.796 ( -0.266 9.321 -3.285) 9.886 1.990 ( -2.722 6.378 -2.197) 7.274 2.420 ( 1.550 -2.313 10.673) 11.030 2.430 ( 6.484 10.575 0.263) 12.408 2.630 ( -0.270 3.843 0.541) 3.890 2.705 ( 3.896 4.874 -0.332) 6.249 2.792 ( -6.178 0.956 -0.082) 6.252 3.196 ( -2.364 5.257 3.272) 6.628 3.321 ( 5.299 4.167 5.905) 8.962 3.459 ( 8.574 12.080 3.839) 15.303 3.556 ( -2.716 -1.887 -0.724) 3.385 3.878 ( -11.133 -9.539 -4.454) 15.322 4.010 ( -4.286 -7.938 -3.859) 9.812 4.143 ( 1.695 4.258 -3.175) 5.575 4.383 ( 1.096 5.501 -0.885) 5.678 4.435 ( -1.492 -6.145 1.735) 6.557 4.750 ( 6.556 -0.520 6.367) 9.153 4.851 ( 1.522 -1.672 4.546) 5.077 5.709 ( 3.809 8.084 -0.213) 8.939 6.093 ( 2.743 -2.485 6.140) 7.169 6.184 ( 5.098 11.971 -3.406) 13.449 6.651 ( 3.852 13.226 -1.535) 13.861 6.743 ( 4.111 16.975 -6.274) 18.559 7.007 ( -7.717 -14.311 -0.758) 16.277 7.200 ( -2.618 2.368 -7.061) 7.894 7.656 ( 2.691 5.460 2.599) 6.619 8.135 ( -3.346 -9.570 -0.717) 10.163 8.260 ( 0.196 -6.496 0.664) 6.532 8.414 ( -0.688 -11.723 -4.689) 12.644 8.605 ( -7.050 -6.784 2.153) 10.018 8.795 ( 2.799 -2.943 3.489) 5.354 8.983 ( 5.308 -1.754 7.719) 9.531 9.256 ( -7.710 7.703 -5.340) 12.136 9.493 ( -7.180 -3.344 -4.241) 8.985 10.211 ( -3.281 -3.436 1.152) 4.889 10.464 ( 2.804 2.141 -1.330) 3.771 10.780 ( 17.812 6.307 -6.400) 19.950 10.857 ( -3.126 1.039 1.748) 3.729 10.940 ( 1.191 4.612 4.228) 6.369 11.008 ( -0.576 10.454 2.337) 10.727 11.239 ( 1.144 -2.795 11.469) 11.860 11.471 ( -1.784 1.487 1.144) 2.589 11.585 ( 2.926 3.453 4.885) 6.660 11.726 ( 2.424 9.841 4.796) 11.213 11.931 ( -1.663 -8.389 -14.516) 16.848 12.608 ( -12.584 -14.322 -3.243) 19.339 13.185 ( 9.670 16.849 1.859) 19.516 13.358 ( -2.753 -12.641 -1.371) 13.009 13.652 ( 2.089 9.300 -0.424) 9.541 14.227 ( -5.549 -12.413 -0.665) 13.613 14.538 ( 6.584 -6.003 -0.510) 8.925 14.710 ( -5.498 -2.982 -2.369) 6.688 15.993 ( 8.197 30.173 -0.370) 31.269 17.902 ( -6.171 -17.864 0.251) 18.902 18.391 ( -2.325 -3.168 12.858) 13.445 18.628 ( 1.467 2.690 -10.072) 10.528 18.995 ( -2.531 -2.217 -2.178) 4.008 19.092 ( 1.621 2.002 0.229) 2.586 24.092 ( 8.974 25.487 5.157) 27.508 25.169 ( -6.593 -23.410 -3.980) 24.644 25.707 ( -5.297 -8.179 0.624) 9.764 26.092 ( 1.076 -0.298 0.140) 1.125 ======================= Grid point 171 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 3.401 5.891 0.000) 6.802 1.867 ( 2.899 5.021 0.000) 5.798 1.998 ( 0.115 0.200 0.000) 0.231 2.417 ( -3.195 -5.535 -0.000) 6.391 2.591 ( 1.422 2.463 0.000) 2.844 2.653 ( -0.453 -0.785 0.000) 0.906 2.687 ( 2.212 3.832 -0.000) 4.425 2.871 ( 4.557 7.893 -0.000) 9.113 3.224 ( -0.126 -0.218 0.000) 0.252 3.400 ( -2.805 -4.859 0.000) 5.610 3.503 ( -0.298 -0.516 -0.000) 0.596 3.564 ( -6.163 -10.675 0.000) 12.326 3.667 ( 3.201 5.544 -0.000) 6.402 3.743 ( -8.378 -14.511 0.000) 16.756 4.305 ( -0.272 -0.470 -0.000) 0.543 4.327 ( 2.438 4.222 -0.000) 4.876 4.484 ( 3.612 6.256 0.000) 7.224 4.811 ( -0.655 -1.134 0.000) 1.310 4.859 ( -1.204 -2.085 0.000) 2.408 5.888 ( 5.615 9.726 0.000) 11.230 6.085 ( -2.154 -3.730 0.000) 4.308 6.428 ( 8.583 14.866 0.000) 17.166 6.711 ( -7.484 -12.962 0.000) 14.967 6.903 ( 8.262 14.310 0.000) 16.523 6.977 ( 7.763 13.447 -0.000) 15.527 7.168 ( 0.100 0.173 0.000) 0.199 7.687 ( -3.288 -5.695 0.000) 6.576 7.961 ( -3.563 -6.172 0.000) 7.127 8.195 ( -3.040 -5.266 -0.000) 6.080 8.307 ( -0.859 -1.488 0.000) 1.718 8.456 ( -3.301 -5.718 0.000) 6.603 8.852 ( -0.431 -0.746 0.000) 0.862 9.001 ( -1.586 -2.748 -0.000) 3.173 9.233 ( 2.698 4.674 0.000) 5.397 9.365 ( -1.845 -3.195 0.000) 3.689 10.116 ( -2.363 -4.093 0.000) 4.726 10.562 ( 2.949 5.108 0.000) 5.898 10.806 ( -2.062 -3.571 -0.000) 4.124 10.862 ( -3.724 -6.451 0.000) 7.449 10.988 ( -2.328 -4.033 0.000) 4.657 11.076 ( 0.207 0.358 -0.000) 0.414 11.425 ( 8.358 14.476 0.000) 16.715 11.499 ( 3.752 6.499 0.000) 7.504 11.595 ( -2.637 -4.568 0.000) 5.275 11.916 ( 4.502 7.797 -0.000) 9.003 11.931 ( 7.495 12.981 0.000) 14.990 12.198 ( -12.490 -21.633 0.000) 24.980 13.124 ( -8.186 -14.178 0.000) 16.371 13.514 ( 8.534 14.781 0.000) 17.068 13.788 ( 4.419 7.654 0.000) 8.839 14.006 ( -6.103 -10.571 0.000) 12.206 14.593 ( -1.098 -1.901 0.000) 2.196 14.651 ( 3.413 5.911 0.000) 6.826 16.451 ( 14.476 25.073 0.000) 28.952 17.541 ( -13.205 -22.871 0.000) 26.410 18.266 ( -5.837 -10.110 -0.000) 11.674 18.718 ( 2.260 3.914 0.000) 4.519 18.960 ( 1.654 2.865 0.000) 3.308 19.136 ( 1.070 1.853 0.000) 2.140 24.521 ( 12.449 21.562 0.000) 24.898 24.783 ( -12.141 -21.028 0.000) 24.281 25.543 ( -4.318 -7.478 0.000) 8.635 26.114 ( 0.779 1.349 0.000) 1.558 ======================= Grid point 179 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 -2.773 -3.386) 4.377 1.835 ( 0.000 5.025 -2.666) 5.689 2.028 ( -0.000 -2.838 0.555) 2.892 2.451 ( 0.000 8.429 -2.244) 8.723 2.474 ( -0.000 -3.033 10.534) 10.962 2.649 ( 0.000 1.178 -8.015) 8.101 2.711 ( -0.000 2.435 0.530) 2.492 2.803 ( 0.000 0.087 -3.625) 3.626 3.316 ( -0.000 -1.604 5.652) 5.875 3.442 ( -0.000 9.157 1.052) 9.217 3.468 ( -0.000 14.796 2.250) 14.966 3.550 ( 0.000 0.354 -2.656) 2.679 3.853 ( 0.000 -12.162 -6.415) 13.750 3.984 ( 0.000 -7.469 -6.832) 10.123 4.010 ( 0.000 -7.315 -14.333) 16.092 4.228 ( 0.000 6.844 -5.333) 8.677 4.608 ( -0.000 -1.108 7.902) 7.979 4.691 ( -0.000 -3.340 7.017) 7.771 4.839 ( -0.000 -4.104 4.511) 6.098 5.766 ( -0.000 6.602 3.970) 7.704 6.137 ( -0.000 3.082 8.568) 9.106 6.198 ( 0.000 4.535 -0.791) 4.604 6.737 ( -0.000 12.909 -1.707) 13.021 6.812 ( 0.000 16.296 -8.235) 18.259 6.992 ( -0.000 -4.987 3.061) 5.851 7.162 ( 0.000 3.610 -12.442) 12.955 7.713 ( -0.000 1.856 3.684) 4.125 8.055 ( 0.000 -11.173 0.458) 11.182 8.262 ( -0.000 -4.364 10.659) 11.518 8.273 ( 0.000 -9.078 -2.894) 9.528 8.602 ( 0.000 -5.062 -2.050) 5.461 8.798 ( -0.000 -5.487 8.180) 9.849 8.989 ( -0.000 2.486 8.740) 9.087 9.310 ( 0.000 3.668 -11.458) 12.031 9.516 ( 0.000 -1.888 -10.627) 10.793 10.229 ( -0.000 -1.716 2.043) 2.668 10.430 ( 0.000 0.783 -13.249) 13.272 10.535 ( -0.000 2.028 0.466) 2.081 10.919 ( 0.000 -2.356 -0.024) 2.356 10.943 ( 0.000 1.611 -1.103) 1.952 11.170 ( -0.000 6.964 7.467) 10.211 11.264 ( -0.000 -6.989 10.986) 13.021 11.388 ( 0.000 0.392 -9.843) 9.851 11.732 ( 0.000 -12.047 -10.359) 15.888 11.781 ( -0.000 8.781 13.154) 15.816 11.856 ( -0.000 17.918 1.237) 17.960 12.610 ( 0.000 -13.079 0.943) 13.113 13.108 ( 0.000 4.876 -12.833) 13.729 13.342 ( -0.000 -4.198 5.578) 6.981 13.743 ( -0.000 10.019 2.099) 10.236 14.169 ( 0.000 -9.477 1.184) 9.551 14.444 ( -0.000 -2.558 5.074) 5.682 14.740 ( -0.000 -1.438 3.318) 3.616 16.241 ( -0.000 32.392 -0.348) 32.394 17.772 ( 0.000 -20.348 0.260) 20.350 18.487 ( 0.000 -5.337 -15.876) 16.749 18.510 ( -0.000 -2.676 14.762) 15.003 18.940 ( 0.000 3.342 -9.078) 9.674 19.153 ( -0.000 2.907 5.223) 5.978 24.245 ( 0.000 19.358 -5.670) 20.171 24.981 ( 0.000 -21.258 3.021) 21.472 25.705 ( -0.000 -5.690 1.325) 5.842 26.085 ( -0.000 0.199 1.658) 1.670 ======================= Grid point 226 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 -0.000 2.384) 2.384 1.286 ( -0.000 -0.000 4.464) 4.464 1.286 ( -0.000 -0.000 4.464) 4.464 1.727 ( -0.000 -0.000 5.167) 5.167 1.727 ( -0.000 -0.000 5.167) 5.167 2.481 ( 0.000 0.000 -0.771) 0.771 2.666 ( -0.000 -0.000 8.471) 8.471 2.666 ( -0.000 -0.000 8.471) 8.471 2.864 ( -0.000 -0.000 9.905) 9.905 3.216 ( -0.000 -0.000 2.935) 2.935 3.216 ( -0.000 -0.000 2.935) 2.935 3.793 ( -0.000 -0.000 28.535) 28.535 3.907 ( -0.000 -0.000 18.212) 18.212 3.907 ( -0.000 -0.000 18.212) 18.212 3.992 ( -0.000 -0.000 9.481) 9.481 4.235 ( 0.000 0.000 -0.666) 0.666 4.235 ( 0.000 0.000 -0.666) 0.666 4.775 ( -0.000 -0.000 3.667) 3.667 4.775 ( -0.000 -0.000 3.667) 3.667 5.605 ( 0.000 0.000 -17.518) 17.518 5.774 ( 0.000 0.000 -16.740) 16.740 6.186 ( 0.000 0.000 -11.016) 11.016 6.186 ( 0.000 0.000 -11.016) 11.016 6.347 ( 0.000 0.000 -0.701) 0.701 7.317 ( -0.000 -0.000 -0.015) 0.015 7.317 ( 0.000 0.000 -0.015) 0.015 7.675 ( 0.000 0.000 -4.797) 4.797 8.501 ( 0.000 0.000 -8.077) 8.077 8.526 ( 0.000 0.000 -11.653) 11.653 8.526 ( 0.000 0.000 -11.653) 11.653 8.897 ( -0.000 -0.000 10.214) 10.214 8.975 ( -0.000 -0.000 4.463) 4.463 8.975 ( -0.000 -0.000 4.463) 4.463 9.047 ( -0.000 -0.000 1.377) 1.377 10.105 ( -0.000 -0.000 4.359) 4.359 10.122 ( -0.000 -0.000 14.633) 14.633 10.122 ( -0.000 -0.000 14.633) 14.633 10.573 ( 0.000 0.000 -0.981) 0.981 10.573 ( 0.000 0.000 -0.981) 0.981 10.739 ( -0.000 -0.000 2.180) 2.180 10.739 ( -0.000 -0.000 2.180) 2.180 10.945 ( -0.000 -0.000 3.594) 3.594 10.945 ( -0.000 -0.000 3.594) 3.594 11.820 ( -0.000 -0.000 1.926) 1.926 11.820 ( -0.000 -0.000 1.926) 1.926 12.028 ( -0.000 -0.000 12.789) 12.789 12.730 ( 0.000 0.000 -10.652) 10.652 13.224 ( 0.000 0.000 -9.857) 9.857 13.224 ( 0.000 0.000 -9.857) 9.857 13.735 ( -0.000 -0.000 4.008) 4.008 14.706 ( 0.000 0.000 -4.921) 4.921 14.895 ( 0.000 0.000 -7.012) 7.012 14.895 ( 0.000 0.000 -7.012) 7.012 15.020 ( 0.000 0.000 -1.172) 1.172 18.317 ( -0.000 -0.000 0.051) 0.051 18.435 ( -0.000 -0.000 13.831) 13.831 18.435 ( -0.000 -0.000 13.831) 13.831 19.166 ( 0.000 0.000 -5.558) 5.558 19.166 ( 0.000 0.000 -5.558) 5.558 22.992 ( -0.000 -0.000 12.839) 12.839 26.035 ( 0.000 0.000 -0.090) 0.090 26.035 ( 0.000 0.000 -0.090) 0.090 26.046 ( 0.000 0.000 -6.058) 6.058 ======================= Grid point 227 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.069 -0.040 2.279) 2.280 1.438 ( 11.638 6.719 1.051) 13.480 1.580 ( 19.005 10.972 0.229) 21.946 1.889 ( 10.986 6.343 3.180) 13.078 1.970 ( 17.431 10.064 3.021) 20.353 2.505 ( 2.612 1.508 -0.497) 3.056 2.678 ( -2.843 -1.641 8.135) 8.773 2.755 ( 2.417 1.396 5.299) 5.989 2.970 ( 5.254 3.033 4.348) 7.464 3.206 ( -1.209 -0.698 3.119) 3.417 3.222 ( -0.117 -0.068 1.819) 1.824 3.800 ( -7.310 -4.220 12.668) 15.222 3.895 ( -4.813 -2.779 18.239) 19.067 3.995 ( -1.867 -1.078 13.512) 13.683 4.199 ( -2.587 -1.493 -0.400) 3.013 4.271 ( 6.764 3.905 -2.046) 8.074 4.436 ( 10.596 6.118 -1.004) 12.276 4.714 ( -1.908 -1.101 12.447) 12.640 4.839 ( 0.372 0.215 0.197) 0.473 5.536 ( 3.625 2.093 -10.215) 11.040 5.775 ( 8.885 5.130 -12.603) 16.251 6.180 ( 7.237 4.178 -2.240) 8.651 6.204 ( 4.726 2.729 -10.956) 12.240 6.380 ( 3.541 2.045 -0.644) 4.140 7.217 ( -5.731 -3.309 0.910) 6.679 7.442 ( 8.332 4.810 -2.936) 10.058 7.524 ( -10.057 -5.806 -2.861) 11.960 8.331 ( -5.113 -2.952 -4.199) 7.245 8.493 ( 0.567 0.327 -12.195) 12.213 8.543 ( 4.614 2.664 -5.630) 7.751 8.917 ( -9.134 -5.274 2.432) 10.824 8.974 ( 2.334 1.348 8.971) 9.367 8.990 ( -3.647 -2.105 0.695) 4.268 9.017 ( 0.095 0.055 1.309) 1.314 9.869 ( -15.466 -8.929 8.047) 19.588 10.171 ( -0.803 -0.464 14.744) 14.773 10.378 ( 6.272 3.621 2.394) 7.628 10.477 ( -5.642 -3.257 -3.593) 7.440 10.625 ( 6.736 3.889 -1.311) 7.887 10.804 ( 3.606 2.082 1.482) 4.419 10.820 ( 3.720 2.148 2.367) 4.905 11.061 ( 10.589 6.114 5.388) 13.362 11.121 ( 9.742 5.624 0.649) 11.267 11.651 ( -9.824 -5.672 7.955) 13.855 11.853 ( -1.449 -0.836 -1.882) 2.518 12.282 ( 6.952 4.014 11.510) 14.033 12.520 ( -5.623 -3.247 -11.438) 13.152 13.106 ( -4.963 -2.865 -7.648) 9.557 13.319 ( 11.227 6.482 -7.468) 14.961 13.700 ( -5.196 -3.000 2.790) 6.617 14.586 ( -7.220 -4.168 -1.583) 8.486 14.784 ( -6.089 -3.515 -5.653) 9.021 14.876 ( 1.039 0.600 -7.158) 7.257 15.173 ( 14.414 8.322 -0.815) 16.664 18.258 ( -5.195 -2.999 1.571) 6.201 18.468 ( -2.291 -1.323 12.639) 12.913 18.529 ( -1.243 -0.718 6.556) 6.711 19.076 ( -3.605 -2.082 -4.378) 6.041 19.145 ( 0.611 0.353 -5.235) 5.283 23.264 ( 16.178 9.340 9.260) 20.850 25.810 ( -12.976 -7.491 -2.876) 15.256 25.986 ( -4.484 -2.589 -0.554) 5.207 26.097 ( 1.413 0.816 -1.533) 2.239 ======================= Grid point 228 (62/65) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -2.403 -1.387 2.780) 3.928 1.682 ( 8.623 4.979 0.978) 10.005 1.934 ( 11.013 6.358 -0.844) 12.744 2.201 ( 13.744 7.935 1.379) 15.931 2.383 ( 14.853 8.575 0.823) 17.171 2.592 ( 5.590 3.227 -0.757) 6.499 2.647 ( -4.576 -2.642 6.142) 8.102 2.818 ( -0.689 -0.398 4.605) 4.673 3.166 ( 10.706 6.181 1.551) 12.459 3.256 ( 5.715 3.299 0.624) 6.628 3.289 ( 6.063 3.500 -2.451) 7.418 3.676 ( -8.546 -4.934 2.224) 10.115 3.925 ( -5.053 -2.917 18.686) 19.576 4.087 ( -0.090 -0.052 15.159) 15.160 4.103 ( -5.743 -3.316 0.331) 6.640 4.139 ( -5.636 -3.254 -10.967) 12.752 4.608 ( 4.995 2.884 -5.153) 7.735 4.796 ( -2.373 -1.370 -4.850) 5.571 4.842 ( 2.780 1.605 6.544) 7.289 5.630 ( 8.051 4.648 -4.012) 10.125 5.948 ( 10.103 5.833 -1.801) 11.804 6.229 ( 3.594 2.075 -11.299) 12.037 6.436 ( 13.629 7.869 6.038) 16.856 6.503 ( 8.183 4.724 -0.322) 9.454 7.118 ( -3.941 -2.276 5.134) 6.861 7.228 ( -13.217 -7.631 -1.602) 15.346 7.616 ( 8.130 4.694 -4.315) 10.332 8.213 ( -5.101 -2.945 0.345) 5.900 8.397 ( -1.355 -0.782 -12.205) 12.305 8.526 ( -10.253 -5.920 1.457) 11.929 8.706 ( -6.155 -3.554 -0.180) 7.110 8.946 ( -4.011 -2.315 -4.205) 6.255 8.953 ( 2.280 1.317 -2.195) 3.428 9.141 ( 4.698 2.712 10.389) 11.720 9.602 ( -11.032 -6.369 5.079) 13.713 10.288 ( 1.740 1.004 12.325) 12.488 10.329 ( -4.688 -2.706 -1.662) 5.662 10.485 ( 3.178 1.835 -0.333) 3.684 10.879 ( 16.214 9.361 -2.126) 18.843 10.887 ( 2.917 1.684 1.030) 3.522 10.907 ( 2.136 1.233 2.556) 3.552 11.326 ( 7.173 4.141 -3.689) 9.067 11.350 ( 8.793 5.077 2.731) 10.514 11.552 ( -3.640 -2.101 15.624) 16.180 11.758 ( -0.998 -0.576 -10.235) 10.300 12.071 ( -14.210 -8.204 -7.487) 18.035 12.764 ( 15.438 8.913 9.083) 20.006 12.895 ( -10.689 -6.171 -3.618) 12.862 13.524 ( 6.461 3.730 -9.425) 12.021 13.560 ( -3.920 -2.263 4.078) 6.093 14.387 ( -10.051 -5.803 0.263) 11.608 14.588 ( -7.101 -4.100 -4.921) 9.562 14.817 ( -2.139 -1.235 -5.218) 5.773 15.623 ( 25.574 14.765 -0.121) 29.531 18.096 ( -10.902 -6.294 0.545) 12.600 18.486 ( -4.436 -2.561 14.343) 15.231 18.547 ( 3.433 1.982 -6.188) 7.348 18.953 ( -6.136 -3.542 2.510) 7.516 19.135 ( 1.952 1.127 -5.015) 5.498 23.756 ( 21.842 12.611 5.666) 25.850 25.435 ( -19.008 -10.974 -1.838) 22.025 25.850 ( -6.708 -3.873 -1.078) 7.821 26.097 ( -0.156 -0.090 -1.244) 1.257 ======================= Grid point 235 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.000 1.204 0.266) 1.234 1.453 ( -0.000 13.474 -0.211) 13.476 1.579 ( -0.000 21.532 0.097) 21.532 1.895 ( -0.000 12.286 2.444) 12.526 1.993 ( -0.000 19.566 1.195) 19.603 2.502 ( -0.000 2.916 -0.229) 2.925 2.738 ( -0.000 -1.802 2.485) 3.070 2.770 ( -0.000 3.193 3.710) 4.895 2.987 ( -0.000 4.904 2.647) 5.573 3.214 ( -0.000 -1.774 2.778) 3.296 3.227 ( -0.000 -1.371 0.597) 1.495 3.814 ( -0.000 -10.910 9.632) 14.554 4.017 ( -0.000 -2.854 9.626) 10.040 4.151 ( 0.000 2.850 -4.058) 4.959 4.208 ( 0.000 -2.957 -1.264) 3.215 4.272 ( -0.000 5.670 5.882) 8.169 4.393 ( -0.000 8.306 -1.009) 8.367 4.761 ( -0.000 -3.782 7.163) 8.101 4.834 ( -0.000 -0.130 2.599) 2.602 5.481 ( 0.000 4.742 -4.932) 6.842 5.712 ( 0.000 13.049 -8.544) 15.597 6.080 ( -0.000 1.070 0.951) 1.431 6.231 ( 0.000 13.072 -7.283) 14.964 6.377 ( -0.000 4.028 -0.296) 4.039 7.283 ( 0.000 -2.913 -5.035) 5.817 7.366 ( -0.000 7.418 2.670) 7.884 7.508 ( 0.000 -11.675 -1.516) 11.773 8.344 ( 0.000 -4.096 -4.391) 6.005 8.357 ( 0.000 -3.553 -0.197) 3.559 8.546 ( 0.000 7.020 -6.158) 9.339 8.943 ( 0.000 -9.898 -0.043) 9.898 8.952 ( -0.000 -3.826 6.395) 7.452 8.975 ( -0.000 -5.662 2.097) 6.038 9.096 ( 0.000 7.006 -1.639) 7.195 9.885 ( -0.000 -17.685 6.193) 18.738 10.324 ( -0.000 -0.801 6.274) 6.325 10.396 ( -0.000 7.465 1.507) 7.615 10.484 ( 0.000 -2.306 -8.049) 8.373 10.568 ( -0.000 5.707 1.966) 6.036 10.814 ( -0.000 4.168 0.461) 4.194 10.835 ( -0.000 5.414 0.577) 5.445 11.025 ( -0.000 7.261 7.978) 10.787 11.160 ( 0.000 13.629 -2.608) 13.876 11.764 ( -0.000 -7.777 7.091) 10.525 11.767 ( 0.000 -7.114 0.529) 7.134 12.329 ( -0.000 -3.121 5.980) 6.745 12.499 ( 0.000 7.203 -9.393) 11.837 13.064 ( 0.000 -5.496 -4.306) 6.981 13.263 ( 0.000 11.577 -3.655) 12.141 13.715 ( -0.000 -6.016 1.623) 6.231 14.582 ( 0.000 -7.284 -0.918) 7.341 14.745 ( 0.000 -8.170 -2.057) 8.425 14.837 ( 0.000 0.063 -4.056) 4.056 15.170 ( -0.000 16.827 -0.545) 16.836 18.267 ( 0.000 -5.414 0.199) 5.417 18.473 ( -0.000 -7.043 10.780) 12.877 18.637 ( -0.000 2.714 -0.307) 2.732 19.072 ( 0.000 -1.377 -0.588) 1.497 19.090 ( 0.000 -1.885 -4.837) 5.191 23.312 ( -0.000 18.587 5.049) 19.261 25.802 ( 0.000 -14.458 -2.460) 14.666 25.974 ( 0.000 -5.763 0.534) 5.787 26.089 ( 0.000 1.269 -0.644) 1.424 ======================= Grid point 236 (64/65) ======================= q-point: (-0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.936 6.818 0.000) 7.873 1.561 ( 5.581 9.666 0.000) 11.162 1.807 ( 6.061 10.498 0.000) 12.122 2.176 ( 9.622 16.665 0.000) 19.243 2.262 ( 9.222 15.972 0.000) 18.443 2.559 ( 2.604 4.510 0.000) 5.207 2.710 ( -1.658 -2.871 0.000) 3.315 2.803 ( -0.156 -0.270 0.000) 0.312 3.115 ( 4.473 7.747 0.000) 8.945 3.237 ( 2.776 4.809 0.000) 5.553 3.246 ( 2.046 3.543 -0.000) 4.091 3.722 ( -5.020 -8.695 0.000) 10.040 4.020 ( -4.321 -7.484 -0.000) 8.642 4.073 ( 0.250 0.434 0.000) 0.501 4.143 ( -2.948 -5.105 0.000) 5.895 4.288 ( 1.698 2.942 0.000) 3.397 4.502 ( 0.996 1.726 0.000) 1.992 4.780 ( -0.095 -0.164 0.000) 0.189 4.860 ( 0.824 1.428 0.000) 1.649 5.549 ( 3.872 6.707 0.000) 7.745 5.900 ( 8.121 14.067 0.000) 16.243 6.134 ( 1.072 1.857 -0.000) 2.144 6.399 ( 8.365 14.488 0.000) 16.729 6.457 ( 3.888 6.734 0.000) 7.776 7.186 ( -2.181 -3.778 0.000) 4.363 7.301 ( -8.098 -14.026 0.000) 16.196 7.525 ( 4.923 8.526 0.000) 9.845 8.257 ( -2.572 -4.455 0.000) 5.144 8.338 ( -1.340 -2.321 0.000) 2.680 8.577 ( -0.723 -1.252 0.000) 1.446 8.796 ( -5.823 -10.086 0.000) 11.647 8.822 ( -3.166 -5.484 0.000) 6.332 9.080 ( 0.722 1.250 -0.000) 1.443 9.089 ( 1.774 3.073 0.000) 3.549 9.657 ( -8.042 -13.930 0.000) 16.085 10.301 ( -2.341 -4.054 0.000) 4.681 10.429 ( 0.111 0.192 0.000) 0.222 10.552 ( 7.246 12.550 0.000) 14.491 10.713 ( 6.221 10.776 0.000) 12.443 10.842 ( 0.820 1.420 0.000) 1.639 10.924 ( 2.585 4.477 0.000) 5.169 11.208 ( 4.665 8.080 0.000) 9.330 11.336 ( 6.845 11.856 0.000) 13.690 11.660 ( -2.564 -4.442 0.000) 5.129 11.702 ( -3.920 -6.790 -0.000) 7.840 12.139 ( -8.367 -14.491 0.000) 16.733 12.674 ( 5.839 10.113 0.000) 11.678 12.986 ( -0.528 -0.915 0.000) 1.057 13.414 ( 4.921 8.524 0.000) 9.843 13.615 ( -4.109 -7.117 0.000) 8.218 14.445 ( -5.683 -9.842 0.000) 11.365 14.653 ( -3.086 -5.345 0.000) 6.172 14.770 ( -2.381 -4.125 0.000) 4.763 15.475 ( 13.012 22.537 0.000) 26.023 18.158 ( -5.192 -8.993 0.000) 10.384 18.493 ( 0.174 0.301 0.000) 0.348 18.578 ( -2.418 -4.187 0.000) 4.835 19.042 ( -1.521 -2.634 -0.000) 3.041 19.065 ( 0.325 0.563 0.000) 0.650 23.646 ( 12.643 21.898 0.000) 25.286 25.549 ( -9.919 -17.180 0.000) 19.838 25.872 ( -4.483 -7.764 0.000) 8.966 26.097 ( 0.046 0.080 0.000) 0.093 ======================= Grid point 307 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.000 -0.000 0.000) 0.000 1.329 ( -0.000 -0.000 0.000) 0.000 1.329 ( -0.000 -0.000 0.000) 0.000 1.785 ( -0.000 -0.000 0.000) 0.000 1.785 ( -0.000 -0.000 0.000) 0.000 2.473 ( -0.000 -0.000 0.000) 0.000 2.754 ( -0.000 -0.000 0.000) 0.000 2.754 ( -0.000 -0.000 0.000) 0.000 2.953 ( -0.000 -0.000 0.000) 0.000 3.246 ( -0.000 -0.000 0.000) 0.000 3.246 ( -0.000 -0.000 0.000) 0.000 3.996 ( -0.000 -0.000 0.000) 0.000 4.103 ( -0.000 -0.000 0.000) 0.000 4.103 ( -0.000 -0.000 0.000) 0.000 4.230 ( -0.000 -0.000 0.000) 0.000 4.230 ( -0.000 -0.000 0.000) 0.000 4.267 ( -0.000 -0.000 0.000) 0.000 4.828 ( -0.000 -0.000 0.000) 0.000 4.828 ( -0.000 -0.000 0.000) 0.000 5.416 ( -0.000 -0.000 0.000) 0.000 5.539 ( -0.000 -0.000 0.000) 0.000 6.069 ( -0.000 -0.000 0.000) 0.000 6.069 ( -0.000 -0.000 0.000) 0.000 6.339 ( -0.000 -0.000 0.000) 0.000 7.297 ( -0.000 -0.000 0.000) 0.000 7.297 ( -0.000 -0.000 0.000) 0.000 7.623 ( -0.000 -0.000 0.000) 0.000 8.399 ( -0.000 -0.000 0.000) 0.000 8.399 ( -0.000 -0.000 0.000) 0.000 8.413 ( -0.000 -0.000 0.000) 0.000 9.004 ( -0.000 -0.000 0.000) 0.000 9.022 ( 0.000 0.000 -0.000) 0.000 9.022 ( 0.000 0.000 -0.000) 0.000 9.063 ( -0.000 -0.000 0.000) 0.000 10.150 ( -0.000 -0.000 0.000) 0.000 10.333 ( -0.000 -0.000 0.000) 0.000 10.333 ( -0.000 -0.000 0.000) 0.000 10.517 ( -0.000 -0.000 0.000) 0.000 10.517 ( -0.000 -0.000 0.000) 0.000 10.762 ( -0.000 -0.000 0.000) 0.000 10.762 ( -0.000 -0.000 0.000) 0.000 10.978 ( -0.000 -0.000 0.000) 0.000 10.978 ( -0.000 -0.000 0.000) 0.000 11.870 ( -0.000 -0.000 0.000) 0.000 11.870 ( -0.000 -0.000 0.000) 0.000 12.209 ( -0.000 -0.000 0.000) 0.000 12.573 ( -0.000 -0.000 0.000) 0.000 13.097 ( -0.000 -0.000 0.000) 0.000 13.097 ( -0.000 -0.000 0.000) 0.000 13.780 ( -0.000 -0.000 0.000) 0.000 14.650 ( -0.000 -0.000 0.000) 0.000 14.818 ( -0.000 -0.000 0.000) 0.000 14.818 ( -0.000 -0.000 0.000) 0.000 15.007 ( -0.000 -0.000 0.000) 0.000 18.318 ( -0.000 -0.000 0.000) 0.000 18.605 ( -0.000 -0.000 0.000) 0.000 18.605 ( -0.000 -0.000 0.000) 0.000 19.086 ( -0.000 -0.000 0.000) 0.000 19.086 ( -0.000 -0.000 0.000) 0.000 23.137 ( -0.000 -0.000 0.000) 0.000 25.976 ( -0.000 -0.000 0.000) 0.000 26.035 ( -0.000 -0.000 0.000) 0.000 26.035 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32256 10.0 48.305 48.305 71.466 0.000 -0.000 -0.000 3/32256 20.0 24.110 24.110 22.130 0.000 -0.000 -0.000 3/32256 30.0 14.624 14.624 12.136 0.000 -0.000 -0.000 3/32256 40.0 10.320 10.320 8.443 0.000 -0.000 -0.000 3/32256 50.0 7.951 7.951 6.567 0.000 -0.000 -0.000 3/32256 60.0 6.468 6.468 5.419 0.000 -0.000 -0.000 3/32256 70.0 5.461 5.461 4.638 0.000 -0.000 -0.000 3/32256 80.0 4.735 4.735 4.071 0.000 -0.000 -0.000 3/32256 90.0 4.191 4.191 3.639 0.000 -0.000 -0.000 3/32256 100.0 3.767 3.767 3.298 0.000 -0.000 -0.000 3/32256 110.0 3.428 3.428 3.020 0.000 -0.000 -0.000 3/32256 120.0 3.150 3.150 2.789 0.000 -0.000 -0.000 3/32256 130.0 2.917 2.917 2.592 0.000 -0.000 -0.000 3/32256 140.0 2.720 2.720 2.423 0.000 -0.000 -0.000 3/32256 150.0 2.550 2.550 2.276 0.000 -0.000 -0.000 3/32256 160.0 2.401 2.401 2.146 0.000 -0.000 -0.000 3/32256 170.0 2.270 2.270 2.031 0.000 -0.000 -0.000 3/32256 180.0 2.154 2.154 1.927 0.000 -0.000 -0.000 3/32256 190.0 2.050 2.050 1.834 0.000 -0.000 -0.000 3/32256 200.0 1.956 1.956 1.750 0.000 -0.000 -0.000 3/32256 210.0 1.871 1.871 1.673 0.000 -0.000 -0.000 3/32256 220.0 1.793 1.793 1.603 0.000 -0.000 -0.000 3/32256 230.0 1.722 1.722 1.538 0.000 -0.000 -0.000 3/32256 240.0 1.656 1.656 1.479 0.000 -0.000 -0.000 3/32256 250.0 1.596 1.596 1.423 0.000 -0.000 -0.000 3/32256 260.0 1.540 1.540 1.372 0.000 -0.000 -0.000 3/32256 270.0 1.487 1.487 1.325 0.000 -0.000 -0.000 3/32256 280.0 1.439 1.439 1.281 0.000 -0.000 -0.000 3/32256 290.0 1.393 1.393 1.239 0.000 -0.000 -0.000 3/32256 300.0 1.351 1.351 1.200 0.000 -0.000 -0.000 3/32256 310.0 1.311 1.311 1.164 0.000 -0.000 -0.000 3/32256 320.0 1.273 1.273 1.129 0.000 -0.000 -0.000 3/32256 330.0 1.237 1.237 1.097 0.000 -0.000 -0.000 3/32256 340.0 1.204 1.204 1.066 0.000 -0.000 -0.000 3/32256 350.0 1.172 1.172 1.037 0.000 -0.000 -0.000 3/32256 360.0 1.142 1.142 1.010 0.000 -0.000 -0.000 3/32256 370.0 1.113 1.113 0.984 0.000 -0.000 -0.000 3/32256 380.0 1.086 1.086 0.959 0.000 -0.000 -0.000 3/32256 390.0 1.060 1.060 0.936 0.000 -0.000 -0.000 3/32256 400.0 1.035 1.035 0.913 0.000 -0.000 -0.000 3/32256 410.0 1.012 1.012 0.892 0.000 -0.000 -0.000 3/32256 420.0 0.989 0.989 0.872 0.000 -0.000 -0.000 3/32256 430.0 0.967 0.967 0.852 0.000 -0.000 -0.000 3/32256 440.0 0.947 0.947 0.834 0.000 -0.000 -0.000 3/32256 450.0 0.927 0.927 0.816 0.000 -0.000 -0.000 3/32256 460.0 0.908 0.908 0.799 0.000 -0.000 -0.000 3/32256 470.0 0.890 0.890 0.782 0.000 -0.000 -0.000 3/32256 480.0 0.872 0.872 0.767 0.000 -0.000 -0.000 3/32256 490.0 0.855 0.855 0.751 0.000 -0.000 -0.000 3/32256 500.0 0.839 0.839 0.737 0.000 -0.000 -0.000 3/32256 510.0 0.824 0.824 0.723 0.000 -0.000 -0.000 3/32256 520.0 0.809 0.809 0.709 0.000 -0.000 -0.000 3/32256 530.0 0.794 0.794 0.696 0.000 -0.000 -0.000 3/32256 540.0 0.780 0.780 0.684 0.000 -0.000 -0.000 3/32256 550.0 0.766 0.766 0.672 0.000 -0.000 -0.000 3/32256 560.0 0.753 0.753 0.660 0.000 -0.000 -0.000 3/32256 570.0 0.741 0.741 0.649 0.000 -0.000 -0.000 3/32256 580.0 0.729 0.729 0.638 0.000 -0.000 -0.000 3/32256 590.0 0.717 0.717 0.627 0.000 -0.000 -0.000 3/32256 600.0 0.705 0.705 0.617 0.000 -0.000 -0.000 3/32256 610.0 0.694 0.694 0.607 0.000 -0.000 -0.000 3/32256 620.0 0.683 0.683 0.598 0.000 -0.000 -0.000 3/32256 630.0 0.673 0.673 0.588 0.000 -0.000 -0.000 3/32256 640.0 0.663 0.663 0.579 0.000 -0.000 -0.000 3/32256 650.0 0.653 0.653 0.571 0.000 -0.000 -0.000 3/32256 660.0 0.643 0.643 0.562 0.000 -0.000 -0.000 3/32256 670.0 0.634 0.634 0.554 0.000 -0.000 -0.000 3/32256 680.0 0.625 0.625 0.546 0.000 -0.000 -0.000 3/32256 690.0 0.616 0.616 0.538 0.000 -0.000 -0.000 3/32256 700.0 0.608 0.608 0.531 0.000 -0.000 -0.000 3/32256 710.0 0.600 0.600 0.523 0.000 -0.000 -0.000 3/32256 720.0 0.592 0.592 0.516 0.000 -0.000 -0.000 3/32256 730.0 0.584 0.584 0.509 0.000 -0.000 -0.000 3/32256 740.0 0.576 0.576 0.503 0.000 -0.000 -0.000 3/32256 750.0 0.569 0.569 0.496 0.000 -0.000 -0.000 3/32256 760.0 0.561 0.561 0.490 0.000 -0.000 -0.000 3/32256 770.0 0.554 0.554 0.483 0.000 -0.000 -0.000 3/32256 780.0 0.547 0.547 0.477 0.000 -0.000 -0.000 3/32256 790.0 0.541 0.541 0.471 0.000 -0.000 -0.000 3/32256 800.0 0.534 0.534 0.465 0.000 -0.000 -0.000 3/32256 810.0 0.528 0.528 0.460 0.000 -0.000 -0.000 3/32256 820.0 0.521 0.521 0.454 0.000 -0.000 -0.000 3/32256 830.0 0.515 0.515 0.449 0.000 -0.000 -0.000 3/32256 840.0 0.509 0.509 0.444 0.000 -0.000 -0.000 3/32256 850.0 0.503 0.503 0.438 0.000 -0.000 -0.000 3/32256 860.0 0.498 0.498 0.433 0.000 -0.000 -0.000 3/32256 870.0 0.492 0.492 0.429 0.000 -0.000 -0.000 3/32256 880.0 0.487 0.487 0.424 0.000 -0.000 -0.000 3/32256 890.0 0.481 0.481 0.419 0.000 -0.000 -0.000 3/32256 900.0 0.476 0.476 0.414 0.000 -0.000 -0.000 3/32256 910.0 0.471 0.471 0.410 0.000 -0.000 -0.000 3/32256 920.0 0.466 0.466 0.406 0.000 -0.000 -0.000 3/32256 930.0 0.461 0.461 0.401 0.000 -0.000 -0.000 3/32256 940.0 0.456 0.456 0.397 0.000 -0.000 -0.000 3/32256 950.0 0.451 0.451 0.393 0.000 -0.000 -0.000 3/32256 960.0 0.447 0.447 0.389 0.000 -0.000 -0.000 3/32256 970.0 0.442 0.442 0.385 0.000 -0.000 -0.000 3/32256 980.0 0.438 0.438 0.381 0.000 -0.000 -0.000 3/32256 990.0 0.433 0.433 0.377 0.000 -0.000 -0.000 3/32256 1000.0 0.429 0.429 0.373 0.000 -0.000 -0.000 3/32256 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:02:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|