----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:49:19]------------------------- Compiled with OpenMP support (max 48 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: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149876020171713 -5.111181949999999 0.000000000000000 b 3.149876020171713 5.111181949999999 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): *1 O 0.09501457206494 0.90498542793506 0.75000000000000 15.999 2 O 0.90498542793506 0.09501457206493 0.25000000000000 15.999 *3 O 0.96243430681296 0.30381051155329 0.61786236503148 15.999 4 O 0.69618948844671 0.03756569318704 0.88213763496852 15.999 *5 O 0.80960098599332 0.59458518626900 0.10376568260346 15.999 6 O 0.40541481373100 0.19039901400668 0.39623431739654 15.999 7 O 0.19039901400668 0.40541481373100 0.89623431739654 15.999 8 O 0.59458518626900 0.80960098599332 0.60376568260346 15.999 9 O 0.03756569318704 0.69618948844671 0.38213763496852 15.999 10 O 0.30381051155329 0.96243430681296 0.11786236503148 15.999 *11 Na 0.00673763492560 0.32267521288223 0.07801969926543 22.990 12 Na 0.67732478711777 0.99326236507440 0.42198030073457 22.990 *13 Na 0.44391216884490 0.21458782768703 0.94953927041342 22.990 14 Na 0.78541217231297 0.55608783115510 0.55046072958658 22.990 15 Na 0.55608783115510 0.78541217231297 0.05046072958658 22.990 16 Na 0.21458782768703 0.44391216884490 0.44953927041342 22.990 *17 Na 0.66740119410295 0.33259880589705 0.25000000000000 22.990 18 Na 0.33259880589705 0.66740119410295 0.75000000000000 22.990 19 Na 0.32267521288223 0.00673763492560 0.57801969926543 22.990 20 Na 0.99326236507440 0.67732478711777 0.92198030073457 22.990 *21 Nb 0.09178387594594 0.90821612405406 0.25000000000000 92.906 22 Nb 0.90821612405406 0.09178387594594 0.75000000000000 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.299752040343426 0.000000000000000 0.000000000000000 b 0.000000000000000 10.222363899999998 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): *1 O 0.50000000000000 0.40498542793506 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.59501457206494 0.25000000000000 15.999 > 2 *3 O 0.63312240918312 0.67068810237017 0.61786236503148 15.999 > 3 4 O 0.36687759081688 0.67068810237017 0.88213763496852 15.999 > 4 *5 O 0.70209308613116 0.89249210013784 0.10376568260346 15.999 > 5 6 O 0.29790691386884 0.89249210013784 0.39623431739654 15.999 > 6 7 O 0.29790691386884 0.10750789986216 0.89623431739654 15.999 > 7 8 O 0.70209308613116 0.10750789986216 0.60376568260346 15.999 > 8 9 O 0.36687759081688 0.32931189762983 0.38213763496852 15.999 > 9 10 O 0.63312240918312 0.32931189762983 0.11786236503148 15.999 > 10 11 O 0.00000000000000 0.90498542793506 0.75000000000000 15.999 > 1 12 O 0.00000000000000 0.09501457206493 0.25000000000000 15.999 > 2 13 O 0.13312240918312 0.17068810237017 0.61786236503148 15.999 > 3 14 O 0.86687759081688 0.17068810237017 0.88213763496852 15.999 > 4 15 O 0.20209308613116 0.39249210013784 0.10376568260346 15.999 > 5 16 O 0.79790691386884 0.39249210013784 0.39623431739654 15.999 > 6 17 O 0.79790691386884 0.60750789986216 0.89623431739654 15.999 > 7 18 O 0.20209308613116 0.60750789986216 0.60376568260346 15.999 > 8 19 O 0.86687759081688 0.82931189762983 0.38213763496852 15.999 > 9 20 O 0.13312240918312 0.82931189762983 0.11786236503148 15.999 > 10 *21 Na 0.16470642390391 0.15796878897831 0.07801969926543 22.990 > 11 22 Na 0.83529357609609 0.15796878897831 0.42198030073457 22.990 > 12 *23 Na 0.32924999826597 0.88533782942106 0.94953927041342 22.990 > 13 24 Na 0.67075000173403 0.88533782942106 0.55046072958658 22.990 > 14 25 Na 0.67075000173403 0.11466217057894 0.05046072958658 22.990 > 15 26 Na 0.32924999826597 0.11466217057894 0.44953927041342 22.990 > 16 *27 Na 0.50000000000000 0.83259880589705 0.25000000000000 22.990 > 17 28 Na 0.50000000000000 0.16740119410295 0.75000000000000 22.990 > 18 29 Na 0.16470642390391 0.84203121102169 0.57801969926543 22.990 > 19 30 Na 0.83529357609609 0.84203121102169 0.92198030073457 22.990 > 20 31 Na 0.66470642390391 0.65796878897831 0.07801969926543 22.990 > 11 32 Na 0.33529357609609 0.65796878897831 0.42198030073457 22.990 > 12 33 Na 0.82924999826597 0.38533782942106 0.94953927041342 22.990 > 13 34 Na 0.17075000173404 0.38533782942106 0.55046072958658 22.990 > 14 35 Na 0.17075000173404 0.61466217057894 0.05046072958658 22.990 > 15 36 Na 0.82924999826597 0.61466217057894 0.44953927041342 22.990 > 16 37 Na 0.00000000000000 0.33259880589705 0.25000000000000 22.990 > 17 38 Na 0.00000000000000 0.66740119410295 0.75000000000000 22.990 > 18 39 Na 0.66470642390391 0.34203121102169 0.57801969926543 22.990 > 19 40 Na 0.33529357609609 0.34203121102169 0.92198030073457 22.990 > 20 *41 Nb 0.50000000000000 0.40821612405406 0.25000000000000 92.906 > 21 42 Nb 0.50000000000000 0.59178387594594 0.75000000000000 92.906 > 22 43 Nb 0.00000000000000 0.90821612405406 0.25000000000000 92.906 > 21 44 Nb 0.00000000000000 0.09178387594594 0.75000000000000 92.906 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.599504080686852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.222363899999998 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): *1 O 0.25000000000000 0.40498542793506 0.75000000000000 15.999 > 1 2 O 0.75000000000000 0.40498542793506 0.75000000000000 15.999 > 1 3 O 0.25000000000000 0.59501457206494 0.25000000000000 15.999 > 2 4 O 0.75000000000000 0.59501457206494 0.25000000000000 15.999 > 2 *5 O 0.31656120459156 0.67068810237017 0.61786236503148 15.999 > 3 6 O 0.81656120459156 0.67068810237017 0.61786236503148 15.999 > 3 7 O 0.18343879540844 0.67068810237017 0.88213763496852 15.999 > 4 8 O 0.68343879540844 0.67068810237017 0.88213763496852 15.999 > 4 *9 O 0.35104654306558 0.89249210013784 0.10376568260346 15.999 > 5 10 O 0.85104654306558 0.89249210013784 0.10376568260346 15.999 > 5 11 O 0.14895345693442 0.89249210013784 0.39623431739654 15.999 > 6 12 O 0.64895345693442 0.89249210013784 0.39623431739654 15.999 > 6 13 O 0.14895345693442 0.10750789986216 0.89623431739654 15.999 > 7 14 O 0.64895345693442 0.10750789986216 0.89623431739654 15.999 > 7 15 O 0.35104654306558 0.10750789986216 0.60376568260346 15.999 > 8 16 O 0.85104654306558 0.10750789986216 0.60376568260346 15.999 > 8 17 O 0.18343879540844 0.32931189762983 0.38213763496852 15.999 > 9 18 O 0.68343879540844 0.32931189762983 0.38213763496852 15.999 > 9 19 O 0.31656120459156 0.32931189762983 0.11786236503148 15.999 > 10 20 O 0.81656120459156 0.32931189762983 0.11786236503148 15.999 > 10 21 O 0.00000000000000 0.90498542793506 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.90498542793506 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.09501457206493 0.25000000000000 15.999 > 2 24 O 0.50000000000000 0.09501457206493 0.25000000000000 15.999 > 2 25 O 0.06656120459156 0.17068810237017 0.61786236503148 15.999 > 3 26 O 0.56656120459156 0.17068810237017 0.61786236503148 15.999 > 3 27 O 0.43343879540844 0.17068810237017 0.88213763496852 15.999 > 4 28 O 0.93343879540844 0.17068810237017 0.88213763496852 15.999 > 4 29 O 0.10104654306558 0.39249210013784 0.10376568260346 15.999 > 5 30 O 0.60104654306558 0.39249210013784 0.10376568260346 15.999 > 5 31 O 0.39895345693442 0.39249210013784 0.39623431739654 15.999 > 6 32 O 0.89895345693442 0.39249210013784 0.39623431739654 15.999 > 6 33 O 0.39895345693442 0.60750789986216 0.89623431739654 15.999 > 7 34 O 0.89895345693442 0.60750789986216 0.89623431739654 15.999 > 7 35 O 0.10104654306558 0.60750789986216 0.60376568260346 15.999 > 8 36 O 0.60104654306558 0.60750789986216 0.60376568260346 15.999 > 8 37 O 0.43343879540844 0.82931189762983 0.38213763496852 15.999 > 9 38 O 0.93343879540844 0.82931189762983 0.38213763496852 15.999 > 9 39 O 0.06656120459156 0.82931189762983 0.11786236503148 15.999 > 10 40 O 0.56656120459156 0.82931189762983 0.11786236503148 15.999 > 10 *41 Na 0.08235321195196 0.15796878897831 0.07801969926543 22.990 > 11 42 Na 0.58235321195196 0.15796878897831 0.07801969926543 22.990 > 11 43 Na 0.41764678804804 0.15796878897831 0.42198030073457 22.990 > 12 44 Na 0.91764678804804 0.15796878897831 0.42198030073457 22.990 > 12 *45 Na 0.16462499913298 0.88533782942106 0.94953927041342 22.990 > 13 46 Na 0.66462499913298 0.88533782942106 0.94953927041342 22.990 > 13 47 Na 0.33537500086702 0.88533782942106 0.55046072958658 22.990 > 14 48 Na 0.83537500086702 0.88533782942106 0.55046072958658 22.990 > 14 49 Na 0.33537500086702 0.11466217057894 0.05046072958658 22.990 > 15 50 Na 0.83537500086702 0.11466217057894 0.05046072958658 22.990 > 15 51 Na 0.16462499913298 0.11466217057894 0.44953927041342 22.990 > 16 52 Na 0.66462499913298 0.11466217057894 0.44953927041342 22.990 > 16 *53 Na 0.25000000000000 0.83259880589705 0.25000000000000 22.990 > 17 54 Na 0.75000000000000 0.83259880589705 0.25000000000000 22.990 > 17 55 Na 0.25000000000000 0.16740119410295 0.75000000000000 22.990 > 18 56 Na 0.75000000000000 0.16740119410295 0.75000000000000 22.990 > 18 57 Na 0.08235321195196 0.84203121102169 0.57801969926543 22.990 > 19 58 Na 0.58235321195196 0.84203121102169 0.57801969926543 22.990 > 19 59 Na 0.41764678804804 0.84203121102169 0.92198030073457 22.990 > 20 60 Na 0.91764678804804 0.84203121102169 0.92198030073457 22.990 > 20 61 Na 0.33235321195196 0.65796878897831 0.07801969926543 22.990 > 11 62 Na 0.83235321195196 0.65796878897831 0.07801969926543 22.990 > 11 63 Na 0.16764678804804 0.65796878897831 0.42198030073457 22.990 > 12 64 Na 0.66764678804804 0.65796878897831 0.42198030073457 22.990 > 12 65 Na 0.41462499913298 0.38533782942106 0.94953927041342 22.990 > 13 66 Na 0.91462499913298 0.38533782942106 0.94953927041342 22.990 > 13 67 Na 0.08537500086702 0.38533782942106 0.55046072958658 22.990 > 14 68 Na 0.58537500086702 0.38533782942106 0.55046072958658 22.990 > 14 69 Na 0.08537500086702 0.61466217057894 0.05046072958658 22.990 > 15 70 Na 0.58537500086702 0.61466217057894 0.05046072958658 22.990 > 15 71 Na 0.41462499913298 0.61466217057894 0.44953927041342 22.990 > 16 72 Na 0.91462499913298 0.61466217057894 0.44953927041342 22.990 > 16 73 Na 0.00000000000000 0.33259880589705 0.25000000000000 22.990 > 17 74 Na 0.50000000000000 0.33259880589705 0.25000000000000 22.990 > 17 75 Na 0.00000000000000 0.66740119410295 0.75000000000000 22.990 > 18 76 Na 0.50000000000000 0.66740119410295 0.75000000000000 22.990 > 18 77 Na 0.33235321195196 0.34203121102169 0.57801969926543 22.990 > 19 78 Na 0.83235321195196 0.34203121102169 0.57801969926543 22.990 > 19 79 Na 0.16764678804804 0.34203121102169 0.92198030073457 22.990 > 20 80 Na 0.66764678804804 0.34203121102169 0.92198030073457 22.990 > 20 *81 Nb 0.25000000000000 0.40821612405406 0.25000000000000 92.906 > 21 82 Nb 0.75000000000000 0.40821612405406 0.25000000000000 92.906 > 21 83 Nb 0.25000000000000 0.59178387594594 0.75000000000000 92.906 > 22 84 Nb 0.75000000000000 0.59178387594594 0.75000000000000 92.906 > 22 85 Nb 0.00000000000000 0.90821612405406 0.25000000000000 92.906 > 21 86 Nb 0.50000000000000 0.90821612405406 0.25000000000000 92.906 > 21 87 Nb 0.00000000000000 0.09178387594594 0.75000000000000 92.906 > 22 88 Nb 0.50000000000000 0.09178387594594 0.75000000000000 92.906 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1530248 0.0000000 0.1417748 0.0000000 2.8827088 0.0000000 0.1417606 0.0000000 3.2127299 -------------------------- Born effective charges -------------------------- 1 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 2 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 3 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 4 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 5 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 6 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 7 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 8 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 9 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 10 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 11 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 12 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 13 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 14 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 15 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 16 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 17 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 18 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 19 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 20 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 21 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 22 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.432 Solver_block: 200 / 720 - Time: 0.393 Solver_block: 300 / 720 - Time: 0.383 Solver_block: 400 / 720 - Time: 0.384 Solver_block: 500 / 720 - Time: 0.386 Solver_block: 600 / 720 - Time: 0.386 Solver_block: 700 / 720 - Time: 0.387 Solver_block: 720 / 720 - Time: 0.127 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.955 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:49:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:49:42]------------------------- Compiled with OpenMP support (max 48 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): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149876020171713 -5.111181949999999 0.000000000000000 b 3.149876020171713 5.111181949999999 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): 1 O 0.09501457206494 0.90498542793506 0.75000000000000 15.999 2 O 0.90498542793506 0.09501457206493 0.25000000000000 15.999 3 O 0.96243430681296 0.30381051155329 0.61786236503148 15.999 4 O 0.69618948844671 0.03756569318704 0.88213763496852 15.999 5 O 0.80960098599332 0.59458518626900 0.10376568260346 15.999 6 O 0.40541481373100 0.19039901400668 0.39623431739654 15.999 7 O 0.19039901400668 0.40541481373100 0.89623431739654 15.999 8 O 0.59458518626900 0.80960098599332 0.60376568260346 15.999 9 O 0.03756569318704 0.69618948844671 0.38213763496852 15.999 10 O 0.30381051155329 0.96243430681296 0.11786236503148 15.999 11 Na 0.00673763492560 0.32267521288223 0.07801969926543 22.990 12 Na 0.67732478711777 0.99326236507440 0.42198030073457 22.990 13 Na 0.44391216884490 0.21458782768703 0.94953927041342 22.990 14 Na 0.78541217231297 0.55608783115510 0.55046072958658 22.990 15 Na 0.55608783115510 0.78541217231297 0.05046072958658 22.990 16 Na 0.21458782768703 0.44391216884490 0.44953927041342 22.990 17 Na 0.66740119410295 0.33259880589705 0.25000000000000 22.990 18 Na 0.33259880589705 0.66740119410295 0.75000000000000 22.990 19 Na 0.32267521288223 0.00673763492560 0.57801969926543 22.990 20 Na 0.99326236507440 0.67732478711777 0.92198030073457 22.990 21 Nb 0.09178387594594 0.90821612405406 0.25000000000000 92.906 22 Nb 0.90821612405406 0.09178387594594 0.75000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.599504080686852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.222363899999998 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): 1 O 0.25000000000000 0.40498542793506 0.75000000000000 15.999 > 1 2 O 0.75000000000000 0.40498542793506 0.75000000000000 15.999 > 1 3 O 0.25000000000000 0.59501457206494 0.25000000000000 15.999 > 3 4 O 0.75000000000000 0.59501457206494 0.25000000000000 15.999 > 3 5 O 0.31656120459156 0.67068810237017 0.61786236503148 15.999 > 5 6 O 0.81656120459156 0.67068810237017 0.61786236503148 15.999 > 5 7 O 0.18343879540844 0.67068810237017 0.88213763496852 15.999 > 7 8 O 0.68343879540844 0.67068810237017 0.88213763496852 15.999 > 7 9 O 0.35104654306558 0.89249210013784 0.10376568260346 15.999 > 9 10 O 0.85104654306558 0.89249210013784 0.10376568260346 15.999 > 9 11 O 0.14895345693442 0.89249210013784 0.39623431739654 15.999 > 11 12 O 0.64895345693442 0.89249210013784 0.39623431739654 15.999 > 11 13 O 0.14895345693442 0.10750789986216 0.89623431739654 15.999 > 13 14 O 0.64895345693442 0.10750789986216 0.89623431739654 15.999 > 13 15 O 0.35104654306558 0.10750789986216 0.60376568260346 15.999 > 15 16 O 0.85104654306558 0.10750789986216 0.60376568260346 15.999 > 15 17 O 0.18343879540844 0.32931189762983 0.38213763496852 15.999 > 17 18 O 0.68343879540844 0.32931189762983 0.38213763496852 15.999 > 17 19 O 0.31656120459156 0.32931189762983 0.11786236503148 15.999 > 19 20 O 0.81656120459156 0.32931189762983 0.11786236503148 15.999 > 19 21 O 0.00000000000000 0.90498542793506 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.90498542793506 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.09501457206493 0.25000000000000 15.999 > 3 24 O 0.50000000000000 0.09501457206493 0.25000000000000 15.999 > 3 25 O 0.06656120459156 0.17068810237017 0.61786236503148 15.999 > 5 26 O 0.56656120459156 0.17068810237017 0.61786236503148 15.999 > 5 27 O 0.43343879540844 0.17068810237017 0.88213763496852 15.999 > 7 28 O 0.93343879540844 0.17068810237017 0.88213763496852 15.999 > 7 29 O 0.10104654306558 0.39249210013784 0.10376568260346 15.999 > 9 30 O 0.60104654306558 0.39249210013784 0.10376568260346 15.999 > 9 31 O 0.39895345693442 0.39249210013784 0.39623431739654 15.999 > 11 32 O 0.89895345693442 0.39249210013784 0.39623431739654 15.999 > 11 33 O 0.39895345693442 0.60750789986216 0.89623431739654 15.999 > 13 34 O 0.89895345693442 0.60750789986216 0.89623431739654 15.999 > 13 35 O 0.10104654306558 0.60750789986216 0.60376568260346 15.999 > 15 36 O 0.60104654306558 0.60750789986216 0.60376568260346 15.999 > 15 37 O 0.43343879540844 0.82931189762983 0.38213763496852 15.999 > 17 38 O 0.93343879540844 0.82931189762983 0.38213763496852 15.999 > 17 39 O 0.06656120459156 0.82931189762983 0.11786236503148 15.999 > 19 40 O 0.56656120459156 0.82931189762983 0.11786236503148 15.999 > 19 41 Na 0.08235321195196 0.15796878897831 0.07801969926543 22.990 > 41 42 Na 0.58235321195196 0.15796878897831 0.07801969926543 22.990 > 41 43 Na 0.41764678804804 0.15796878897831 0.42198030073457 22.990 > 43 44 Na 0.91764678804804 0.15796878897831 0.42198030073457 22.990 > 43 45 Na 0.16462499913298 0.88533782942106 0.94953927041342 22.990 > 45 46 Na 0.66462499913298 0.88533782942106 0.94953927041342 22.990 > 45 47 Na 0.33537500086702 0.88533782942106 0.55046072958658 22.990 > 47 48 Na 0.83537500086702 0.88533782942106 0.55046072958658 22.990 > 47 49 Na 0.33537500086702 0.11466217057894 0.05046072958658 22.990 > 49 50 Na 0.83537500086702 0.11466217057894 0.05046072958658 22.990 > 49 51 Na 0.16462499913298 0.11466217057894 0.44953927041342 22.990 > 51 52 Na 0.66462499913298 0.11466217057894 0.44953927041342 22.990 > 51 53 Na 0.25000000000000 0.83259880589705 0.25000000000000 22.990 > 53 54 Na 0.75000000000000 0.83259880589705 0.25000000000000 22.990 > 53 55 Na 0.25000000000000 0.16740119410295 0.75000000000000 22.990 > 55 56 Na 0.75000000000000 0.16740119410295 0.75000000000000 22.990 > 55 57 Na 0.08235321195196 0.84203121102169 0.57801969926543 22.990 > 57 58 Na 0.58235321195196 0.84203121102169 0.57801969926543 22.990 > 57 59 Na 0.41764678804804 0.84203121102169 0.92198030073457 22.990 > 59 60 Na 0.91764678804804 0.84203121102169 0.92198030073457 22.990 > 59 61 Na 0.33235321195196 0.65796878897831 0.07801969926543 22.990 > 41 62 Na 0.83235321195196 0.65796878897831 0.07801969926543 22.990 > 41 63 Na 0.16764678804804 0.65796878897831 0.42198030073457 22.990 > 43 64 Na 0.66764678804804 0.65796878897831 0.42198030073457 22.990 > 43 65 Na 0.41462499913298 0.38533782942106 0.94953927041342 22.990 > 45 66 Na 0.91462499913298 0.38533782942106 0.94953927041342 22.990 > 45 67 Na 0.08537500086702 0.38533782942106 0.55046072958658 22.990 > 47 68 Na 0.58537500086702 0.38533782942106 0.55046072958658 22.990 > 47 69 Na 0.08537500086702 0.61466217057894 0.05046072958658 22.990 > 49 70 Na 0.58537500086702 0.61466217057894 0.05046072958658 22.990 > 49 71 Na 0.41462499913298 0.61466217057894 0.44953927041342 22.990 > 51 72 Na 0.91462499913298 0.61466217057894 0.44953927041342 22.990 > 51 73 Na 0.00000000000000 0.33259880589705 0.25000000000000 22.990 > 53 74 Na 0.50000000000000 0.33259880589705 0.25000000000000 22.990 > 53 75 Na 0.00000000000000 0.66740119410295 0.75000000000000 22.990 > 55 76 Na 0.50000000000000 0.66740119410295 0.75000000000000 22.990 > 55 77 Na 0.33235321195196 0.34203121102169 0.57801969926543 22.990 > 57 78 Na 0.83235321195196 0.34203121102169 0.57801969926543 22.990 > 57 79 Na 0.16764678804804 0.34203121102169 0.92198030073457 22.990 > 59 80 Na 0.66764678804804 0.34203121102169 0.92198030073457 22.990 > 59 81 Nb 0.25000000000000 0.40821612405406 0.25000000000000 92.906 > 81 82 Nb 0.75000000000000 0.40821612405406 0.25000000000000 92.906 > 81 83 Nb 0.25000000000000 0.59178387594594 0.75000000000000 92.906 > 83 84 Nb 0.75000000000000 0.59178387594594 0.75000000000000 92.906 > 83 85 Nb 0.00000000000000 0.90821612405406 0.25000000000000 92.906 > 81 86 Nb 0.50000000000000 0.90821612405406 0.25000000000000 92.906 > 81 87 Nb 0.00000000000000 0.09178387594594 0.75000000000000 92.906 > 83 88 Nb 0.50000000000000 0.09178387594594 0.75000000000000 92.906 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1530248 0.0000000 0.1417748 0.0000000 2.8827088 0.0000000 0.1417606 0.0000000 3.2127299 -------------------------- Born effective charges -------------------------- 1 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 2 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 3 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 4 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 5 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 6 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 7 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 8 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 9 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 10 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 11 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 12 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 13 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 14 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 15 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 16 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 17 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 18 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 19 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 20 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 21 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 22 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 2026-01-07 20:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:49:58]------------------------- Compiled with OpenMP support (max 48 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): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.149876020171713 -5.111181949999999 0.000000000000000 b 3.149876020171713 5.111181949999999 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): 1 O 0.09501457206494 0.90498542793506 0.75000000000000 15.999 2 O 0.90498542793506 0.09501457206493 0.25000000000000 15.999 3 O 0.96243430681296 0.30381051155329 0.61786236503148 15.999 4 O 0.69618948844671 0.03756569318704 0.88213763496852 15.999 5 O 0.80960098599332 0.59458518626900 0.10376568260346 15.999 6 O 0.40541481373100 0.19039901400668 0.39623431739654 15.999 7 O 0.19039901400668 0.40541481373100 0.89623431739654 15.999 8 O 0.59458518626900 0.80960098599332 0.60376568260346 15.999 9 O 0.03756569318704 0.69618948844671 0.38213763496852 15.999 10 O 0.30381051155329 0.96243430681296 0.11786236503148 15.999 11 Na 0.00673763492560 0.32267521288223 0.07801969926543 22.990 12 Na 0.67732478711777 0.99326236507440 0.42198030073457 22.990 13 Na 0.44391216884490 0.21458782768703 0.94953927041342 22.990 14 Na 0.78541217231297 0.55608783115510 0.55046072958658 22.990 15 Na 0.55608783115510 0.78541217231297 0.05046072958658 22.990 16 Na 0.21458782768703 0.44391216884490 0.44953927041342 22.990 17 Na 0.66740119410295 0.33259880589705 0.25000000000000 22.990 18 Na 0.33259880589705 0.66740119410295 0.75000000000000 22.990 19 Na 0.32267521288223 0.00673763492560 0.57801969926543 22.990 20 Na 0.99326236507440 0.67732478711777 0.92198030073457 22.990 21 Nb 0.09178387594594 0.90821612405406 0.25000000000000 92.906 22 Nb 0.90821612405406 0.09178387594594 0.75000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.599504080686852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.222363899999998 0.000000000000000 c -2.890750340123069 0.000000000000000 9.618186604816685 Atomic positions (fractional): 1 O 0.25000000000000 0.40498542793506 0.75000000000000 15.999 > 1 2 O 0.75000000000000 0.40498542793506 0.75000000000000 15.999 > 1 3 O 0.25000000000000 0.59501457206494 0.25000000000000 15.999 > 3 4 O 0.75000000000000 0.59501457206494 0.25000000000000 15.999 > 3 5 O 0.31656120459156 0.67068810237017 0.61786236503148 15.999 > 5 6 O 0.81656120459156 0.67068810237017 0.61786236503148 15.999 > 5 7 O 0.18343879540844 0.67068810237017 0.88213763496852 15.999 > 7 8 O 0.68343879540844 0.67068810237017 0.88213763496852 15.999 > 7 9 O 0.35104654306558 0.89249210013784 0.10376568260346 15.999 > 9 10 O 0.85104654306558 0.89249210013784 0.10376568260346 15.999 > 9 11 O 0.14895345693442 0.89249210013784 0.39623431739654 15.999 > 11 12 O 0.64895345693442 0.89249210013784 0.39623431739654 15.999 > 11 13 O 0.14895345693442 0.10750789986216 0.89623431739654 15.999 > 13 14 O 0.64895345693442 0.10750789986216 0.89623431739654 15.999 > 13 15 O 0.35104654306558 0.10750789986216 0.60376568260346 15.999 > 15 16 O 0.85104654306558 0.10750789986216 0.60376568260346 15.999 > 15 17 O 0.18343879540844 0.32931189762983 0.38213763496852 15.999 > 17 18 O 0.68343879540844 0.32931189762983 0.38213763496852 15.999 > 17 19 O 0.31656120459156 0.32931189762983 0.11786236503148 15.999 > 19 20 O 0.81656120459156 0.32931189762983 0.11786236503148 15.999 > 19 21 O 0.00000000000000 0.90498542793506 0.75000000000000 15.999 > 1 22 O 0.50000000000000 0.90498542793506 0.75000000000000 15.999 > 1 23 O 0.00000000000000 0.09501457206493 0.25000000000000 15.999 > 3 24 O 0.50000000000000 0.09501457206493 0.25000000000000 15.999 > 3 25 O 0.06656120459156 0.17068810237017 0.61786236503148 15.999 > 5 26 O 0.56656120459156 0.17068810237017 0.61786236503148 15.999 > 5 27 O 0.43343879540844 0.17068810237017 0.88213763496852 15.999 > 7 28 O 0.93343879540844 0.17068810237017 0.88213763496852 15.999 > 7 29 O 0.10104654306558 0.39249210013784 0.10376568260346 15.999 > 9 30 O 0.60104654306558 0.39249210013784 0.10376568260346 15.999 > 9 31 O 0.39895345693442 0.39249210013784 0.39623431739654 15.999 > 11 32 O 0.89895345693442 0.39249210013784 0.39623431739654 15.999 > 11 33 O 0.39895345693442 0.60750789986216 0.89623431739654 15.999 > 13 34 O 0.89895345693442 0.60750789986216 0.89623431739654 15.999 > 13 35 O 0.10104654306558 0.60750789986216 0.60376568260346 15.999 > 15 36 O 0.60104654306558 0.60750789986216 0.60376568260346 15.999 > 15 37 O 0.43343879540844 0.82931189762983 0.38213763496852 15.999 > 17 38 O 0.93343879540844 0.82931189762983 0.38213763496852 15.999 > 17 39 O 0.06656120459156 0.82931189762983 0.11786236503148 15.999 > 19 40 O 0.56656120459156 0.82931189762983 0.11786236503148 15.999 > 19 41 Na 0.08235321195196 0.15796878897831 0.07801969926543 22.990 > 41 42 Na 0.58235321195196 0.15796878897831 0.07801969926543 22.990 > 41 43 Na 0.41764678804804 0.15796878897831 0.42198030073457 22.990 > 43 44 Na 0.91764678804804 0.15796878897831 0.42198030073457 22.990 > 43 45 Na 0.16462499913298 0.88533782942106 0.94953927041342 22.990 > 45 46 Na 0.66462499913298 0.88533782942106 0.94953927041342 22.990 > 45 47 Na 0.33537500086702 0.88533782942106 0.55046072958658 22.990 > 47 48 Na 0.83537500086702 0.88533782942106 0.55046072958658 22.990 > 47 49 Na 0.33537500086702 0.11466217057894 0.05046072958658 22.990 > 49 50 Na 0.83537500086702 0.11466217057894 0.05046072958658 22.990 > 49 51 Na 0.16462499913298 0.11466217057894 0.44953927041342 22.990 > 51 52 Na 0.66462499913298 0.11466217057894 0.44953927041342 22.990 > 51 53 Na 0.25000000000000 0.83259880589705 0.25000000000000 22.990 > 53 54 Na 0.75000000000000 0.83259880589705 0.25000000000000 22.990 > 53 55 Na 0.25000000000000 0.16740119410295 0.75000000000000 22.990 > 55 56 Na 0.75000000000000 0.16740119410295 0.75000000000000 22.990 > 55 57 Na 0.08235321195196 0.84203121102169 0.57801969926543 22.990 > 57 58 Na 0.58235321195196 0.84203121102169 0.57801969926543 22.990 > 57 59 Na 0.41764678804804 0.84203121102169 0.92198030073457 22.990 > 59 60 Na 0.91764678804804 0.84203121102169 0.92198030073457 22.990 > 59 61 Na 0.33235321195196 0.65796878897831 0.07801969926543 22.990 > 41 62 Na 0.83235321195196 0.65796878897831 0.07801969926543 22.990 > 41 63 Na 0.16764678804804 0.65796878897831 0.42198030073457 22.990 > 43 64 Na 0.66764678804804 0.65796878897831 0.42198030073457 22.990 > 43 65 Na 0.41462499913298 0.38533782942106 0.94953927041342 22.990 > 45 66 Na 0.91462499913298 0.38533782942106 0.94953927041342 22.990 > 45 67 Na 0.08537500086702 0.38533782942106 0.55046072958658 22.990 > 47 68 Na 0.58537500086702 0.38533782942106 0.55046072958658 22.990 > 47 69 Na 0.08537500086702 0.61466217057894 0.05046072958658 22.990 > 49 70 Na 0.58537500086702 0.61466217057894 0.05046072958658 22.990 > 49 71 Na 0.41462499913298 0.61466217057894 0.44953927041342 22.990 > 51 72 Na 0.91462499913298 0.61466217057894 0.44953927041342 22.990 > 51 73 Na 0.00000000000000 0.33259880589705 0.25000000000000 22.990 > 53 74 Na 0.50000000000000 0.33259880589705 0.25000000000000 22.990 > 53 75 Na 0.00000000000000 0.66740119410295 0.75000000000000 22.990 > 55 76 Na 0.50000000000000 0.66740119410295 0.75000000000000 22.990 > 55 77 Na 0.33235321195196 0.34203121102169 0.57801969926543 22.990 > 57 78 Na 0.83235321195196 0.34203121102169 0.57801969926543 22.990 > 57 79 Na 0.16764678804804 0.34203121102169 0.92198030073457 22.990 > 59 80 Na 0.66764678804804 0.34203121102169 0.92198030073457 22.990 > 59 81 Nb 0.25000000000000 0.40821612405406 0.25000000000000 92.906 > 81 82 Nb 0.75000000000000 0.40821612405406 0.25000000000000 92.906 > 81 83 Nb 0.25000000000000 0.59178387594594 0.75000000000000 92.906 > 83 84 Nb 0.75000000000000 0.59178387594594 0.75000000000000 92.906 > 83 85 Nb 0.00000000000000 0.90821612405406 0.25000000000000 92.906 > 81 86 Nb 0.50000000000000 0.90821612405406 0.25000000000000 92.906 > 81 87 Nb 0.00000000000000 0.09178387594594 0.75000000000000 92.906 > 83 88 Nb 0.50000000000000 0.09178387594594 0.75000000000000 92.906 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1530248 0.0000000 0.1417748 0.0000000 2.8827088 0.0000000 0.1417606 0.0000000 3.2127299 -------------------------- Born effective charges -------------------------- 1 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 2 O -1.0124175 0.0000000 -0.1356714 0.0000000 -2.9530544 0.0000000 -0.1282836 0.0000000 -1.0942993 3 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 4 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 5 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 6 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 7 O -2.3637514 -0.1307310 -1.0175150 -0.1019228 -1.2850430 -0.0485855 -1.0436242 -0.1469574 -2.3368154 8 O -2.3637514 0.1307310 -1.0175150 0.1019228 -1.2850430 0.0485855 -1.0436242 0.1469574 -2.3368154 9 O -2.0630473 -0.5619996 0.6835381 -0.5773466 -1.3209352 0.4744685 0.7023812 0.6339761 -2.1621719 10 O -2.0630473 0.5619996 0.6835381 0.5773466 -1.3209352 -0.4744685 0.7023812 -0.6339761 -2.1621719 11 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 12 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 13 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 14 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 15 Na 1.1169431 -0.1643602 0.0517346 -0.1555325 1.0497540 -0.1121698 0.0686280 -0.0506927 1.0866246 16 Na 1.1169431 0.1643602 0.0517346 0.1555325 1.0497540 0.1121698 0.0686280 0.0506927 1.0866246 17 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 18 Na 1.2896952 0.0000000 -0.0259348 0.0000000 1.0003784 0.0000000 -0.0481978 0.0000000 0.7475812 19 Na 0.8342292 -0.1952927 -0.0563851 -0.2052067 1.0709306 0.0104987 -0.0422022 -0.0880779 1.1099653 20 Na 0.8342292 0.1952927 -0.0563851 0.2052067 1.0709306 -0.0104987 -0.0422022 0.0880779 1.1099653 21 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 22 Nb 4.6739750 0.0000000 0.8388610 0.0000000 2.9232632 0.0000000 0.8061156 0.0000000 4.9515129 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.61, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.812 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 13.417 ( 0.000 0.000 0.000) 0.000 13.908 ( 0.000 0.000 0.000) 0.000 14.035 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.180 ( 0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 17.969 ( 0.000 0.000 0.000) 0.000 19.153 ( 0.000 0.000 0.000) 0.000 19.529 ( 0.000 0.000 0.000) 0.000 20.316 ( 0.000 0.000 0.000) 0.000 21.646 ( 0.000 0.000 0.000) 0.000 21.773 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 28.670 -7.998 5.950) 30.354 0.636 ( 24.578 -14.859 21.451) 35.847 1.135 ( 53.153 -22.559 10.573) 58.702 2.622 ( -5.127 -1.716 -0.442) 5.425 3.060 ( 12.654 7.518 -9.696) 17.626 3.180 ( 5.960 -1.297 -13.067) 14.420 3.534 ( -2.204 11.802 12.030) 16.996 3.666 ( 8.870 -0.440 2.185) 9.146 3.728 ( 2.918 1.674 -6.687) 7.485 3.834 ( -5.374 -6.794 1.628) 8.814 3.939 ( 4.631 -6.424 2.749) 8.383 4.169 ( 6.014 0.801 2.940) 6.742 4.494 ( 0.041 -7.469 0.201) 7.472 4.637 ( 2.138 1.312 -3.876) 4.617 4.713 ( 1.302 -3.863 -1.716) 4.424 4.899 ( -7.450 -8.077 -5.662) 12.361 5.020 ( 3.764 -1.847 -5.913) 7.248 5.322 ( -2.787 2.822 -0.120) 3.968 5.521 ( -4.293 0.318 0.335) 4.318 5.727 ( -1.488 3.236 -0.539) 3.602 5.865 ( -1.364 -1.672 1.025) 2.389 5.996 ( -2.381 1.226 1.577) 3.108 6.078 ( -4.703 6.804 -2.523) 8.648 6.193 ( -0.298 -0.870 0.102) 0.926 6.326 ( 1.570 1.251 -2.938) 3.558 6.365 ( -4.670 -0.842 -6.872) 8.351 6.548 ( -8.220 1.420 -4.408) 9.435 6.573 ( 1.196 0.853 8.937) 9.057 6.779 ( 0.191 -2.803 2.493) 3.756 7.056 ( -1.020 5.599 -1.620) 5.917 7.096 ( 4.574 3.759 -1.853) 6.204 7.276 ( 1.971 1.080 0.449) 2.292 7.638 ( -8.674 5.272 3.466) 10.726 7.711 ( -5.270 -4.243 -2.695) 7.282 7.817 ( -2.170 -0.119 1.634) 2.719 7.885 ( -7.010 -8.606 -0.273) 11.103 7.933 ( 1.540 -4.194 0.587) 4.507 8.181 ( -1.964 -0.718 5.366) 5.759 8.269 ( 7.677 -0.440 1.130) 7.773 8.296 ( 8.843 -2.883 -0.881) 9.342 8.825 ( -3.080 0.633 -1.867) 3.657 8.971 ( 2.159 -0.359 0.591) 2.267 8.997 ( 8.098 0.409 3.334) 8.767 9.315 ( 0.864 10.167 3.945) 10.940 9.713 ( 3.430 4.511 -1.815) 5.950 10.067 ( -0.459 0.339 -1.486) 1.592 10.224 ( -8.083 -12.323 -3.273) 15.097 10.768 ( -3.304 1.551 -3.815) 5.280 10.902 ( 1.543 -1.473 -1.030) 2.369 11.166 ( -0.555 -1.057 -0.235) 1.216 11.429 ( -4.797 -1.586 14.808) 15.646 11.715 ( 4.153 -0.452 2.005) 4.634 12.543 ( 5.334 15.151 6.727) 17.414 12.622 ( -1.861 -0.204 -1.310) 2.284 13.430 ( 2.168 -0.079 -2.385) 3.224 13.852 ( -6.172 1.339 -0.851) 6.373 14.938 ( -14.368 7.454 -2.750) 16.419 15.217 ( 1.846 -7.026 0.969) 7.329 15.492 ( 16.122 14.988 4.554) 22.479 15.991 ( -4.342 69.510 166.806) 180.762 18.563 ( 58.580 68.695 -56.562) 106.535 19.202 ( 3.318 -4.329 -0.793) 5.512 20.187 ( -14.196 -0.885 -1.780) 14.335 20.808 ( -18.880 -60.136 -37.880) 73.536 21.713 ( -5.145 -12.665 -4.873) 14.513 21.783 ( 0.613 -0.849 0.324) 1.096 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 26.598 -5.966 4.592) 27.643 1.274 ( 25.468 -14.360 18.660) 34.684 2.201 ( 46.749 -19.622 9.607) 51.602 2.514 ( -6.258 4.381 -3.687) 8.482 2.950 ( 3.222 2.416 -27.961) 28.250 3.456 ( 19.251 2.810 -0.043) 19.455 3.494 ( 2.250 9.827 17.573) 20.259 3.686 ( -2.238 -2.268 -8.488) 9.066 3.793 ( 8.882 -0.502 -2.822) 9.333 3.939 ( 7.327 -4.944 4.577) 9.954 4.087 ( 3.502 -8.988 4.809) 10.779 4.315 ( 8.421 -0.063 6.320) 10.529 4.550 ( -2.939 -7.344 -3.393) 8.607 4.626 ( -3.882 -3.167 1.477) 5.223 4.748 ( -0.615 -0.166 1.978) 2.078 4.864 ( -0.790 -4.994 -3.191) 5.979 5.103 ( 6.620 -4.899 -5.167) 9.722 5.236 ( -2.891 3.714 -0.409) 4.724 5.404 ( -7.055 4.909 2.144) 8.858 5.666 ( -1.241 4.077 -3.000) 5.212 5.856 ( -2.027 2.857 -0.405) 3.526 5.899 ( -2.747 4.072 -0.784) 4.975 5.958 ( -3.839 5.599 -0.424) 6.802 6.100 ( -7.943 2.320 -5.998) 10.220 6.244 ( -5.769 1.274 -3.756) 7.001 6.344 ( 1.281 -1.248 -3.813) 4.212 6.431 ( -3.054 -2.265 -1.777) 4.197 6.610 ( 0.475 1.177 6.093) 6.224 6.796 ( -2.750 0.541 4.558) 5.351 6.975 ( 3.410 8.426 -8.713) 12.591 7.097 ( 2.170 5.852 1.766) 6.487 7.308 ( 0.360 -1.374 0.517) 1.512 7.451 ( -11.260 1.862 2.459) 11.675 7.645 ( -6.578 -3.144 0.688) 7.323 7.794 ( 1.664 2.982 -0.911) 3.534 7.876 ( -2.427 -4.681 -2.199) 5.713 8.017 ( 1.391 -6.131 -0.156) 6.288 8.183 ( -2.738 -1.184 6.151) 6.836 8.314 ( -0.162 -2.073 0.577) 2.158 8.475 ( 3.647 -1.843 3.137) 5.151 8.786 ( 3.701 4.287 -2.822) 6.327 9.007 ( -0.549 -0.107 0.766) 0.948 9.173 ( 12.683 0.937 0.899) 12.749 9.259 ( 3.111 6.000 4.201) 7.958 9.707 ( 0.035 -0.832 -4.608) 4.682 10.048 ( -0.308 1.171 -0.998) 1.569 10.199 ( -3.038 -2.584 0.740) 4.056 10.651 ( -5.352 3.094 -5.470) 8.255 10.948 ( 2.134 -2.624 -1.101) 3.557 11.167 ( -1.311 -1.799 1.101) 2.483 11.442 ( -3.015 -2.815 6.897) 8.037 11.830 ( 7.753 -0.472 4.152) 8.808 12.504 ( 0.651 8.188 5.756) 10.030 12.570 ( -3.700 -0.130 -2.337) 4.378 13.457 ( 2.854 0.145 -3.967) 4.889 13.686 ( -10.831 2.292 -3.063) 11.486 14.630 ( -11.522 7.301 -5.230) 14.608 15.335 ( 4.010 -4.444 0.914) 6.055 15.619 ( 15.100 13.169 6.898) 21.190 16.031 ( -4.794 23.087 67.853) 71.833 18.548 ( 26.829 31.965 -27.289) 49.862 19.310 ( 3.311 -6.227 -1.791) 7.276 19.923 ( -16.683 2.832 3.055) 17.195 20.913 ( -5.250 -24.808 -13.411) 28.685 21.741 ( -1.698 -8.055 -3.367) 8.894 21.810 ( 0.900 -1.623 0.587) 1.946 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 23.743 -4.643 3.437) 24.435 1.887 ( 24.368 -12.191 15.355) 31.276 2.230 ( -8.380 12.460 -13.071) 19.908 2.930 ( 10.880 -4.558 -11.593) 16.539 3.112 ( 25.251 -12.596 2.531) 28.332 3.467 ( 2.203 -0.214 -5.364) 5.803 3.561 ( 5.432 4.377 14.577) 16.160 3.875 ( 15.167 1.762 0.251) 15.271 3.939 ( 8.245 -3.413 -3.919) 9.746 4.080 ( 4.322 -3.448 1.920) 5.853 4.271 ( 3.035 -7.926 4.207) 9.473 4.452 ( 3.233 1.632 5.744) 6.790 4.518 ( -3.861 -4.529 -0.876) 6.016 4.632 ( 3.156 -3.346 0.410) 4.618 4.717 ( -3.553 -0.639 1.545) 3.927 4.914 ( -1.400 -7.071 -1.232) 7.312 5.181 ( 1.060 1.404 -0.297) 1.785 5.259 ( -2.572 5.641 2.694) 6.760 5.280 ( 6.692 -5.695 -1.623) 8.936 5.581 ( -1.999 3.503 -2.547) 4.770 5.663 ( -10.453 11.539 -6.964) 17.057 5.764 ( -3.263 8.114 -3.388) 9.379 5.912 ( -1.228 1.386 0.583) 1.942 5.986 ( -1.455 -0.675 -1.787) 2.402 6.109 ( -6.799 0.548 0.164) 6.823 6.335 ( -3.016 0.435 -2.224) 3.772 6.456 ( 3.252 -1.807 -0.394) 3.741 6.635 ( 1.326 -0.336 -1.197) 1.818 6.732 ( -5.869 0.814 3.594) 6.930 6.907 ( 6.056 9.697 -10.545) 15.553 7.104 ( 1.466 2.966 4.757) 5.795 7.220 ( -10.407 2.913 2.472) 11.086 7.362 ( -3.669 -6.286 -0.754) 7.317 7.571 ( -5.367 -0.629 0.392) 5.418 7.806 ( 3.692 4.710 2.234) 6.388 7.861 ( -0.943 0.003 -2.530) 2.700 8.083 ( -0.269 -7.493 -3.342) 8.209 8.168 ( -4.402 -1.325 5.594) 7.241 8.325 ( -1.411 -2.406 1.214) 3.042 8.475 ( -5.425 -2.269 1.624) 6.101 8.789 ( 4.602 9.220 -7.441) 12.710 8.932 ( -7.652 0.844 8.731) 11.640 9.378 ( 14.550 0.406 -0.574) 14.567 9.385 ( 11.772 2.055 2.807) 12.275 9.698 ( -0.026 -2.615 -4.627) 5.315 10.009 ( -2.638 1.777 -0.460) 3.214 10.206 ( 1.341 -0.660 1.757) 2.306 10.503 ( -5.235 3.854 -5.223) 8.339 11.002 ( 1.407 -2.892 -0.375) 3.238 11.170 ( -1.355 -2.101 0.527) 2.555 11.448 ( -3.057 -2.795 3.918) 5.702 11.994 ( 8.623 0.100 6.264) 10.658 12.463 ( -0.744 5.015 4.619) 6.859 12.493 ( -3.829 0.146 -3.347) 5.088 13.463 ( -3.730 1.198 -3.648) 5.354 13.475 ( -4.965 1.006 -6.035) 7.880 14.401 ( -6.906 4.776 -4.332) 9.448 15.418 ( 4.558 1.833 0.535) 4.942 15.797 ( 12.678 2.836 5.542) 14.124 16.025 ( -5.538 10.749 33.562) 35.673 18.531 ( 15.073 17.866 -16.670) 28.710 19.354 ( -4.627 -2.890 -2.708) 6.091 19.699 ( -8.662 1.714 6.435) 10.926 20.993 ( -1.616 -11.836 -5.696) 13.235 21.781 ( -0.252 -5.905 -2.663) 6.483 21.844 ( 0.664 -1.928 0.785) 2.185 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -0.278 8.272 -8.043) 11.541 2.002 ( 12.366 -2.816 1.404) 12.760 2.409 ( 19.492 -7.771 9.787) 23.154 2.985 ( -4.757 2.356 -9.235) 10.651 3.250 ( 5.725 -6.109 -2.909) 8.863 3.645 ( 2.539 2.082 11.864) 12.310 3.824 ( 12.538 -2.108 -7.035) 14.531 3.958 ( 4.109 -3.637 0.934) 5.567 4.087 ( 3.455 -2.116 4.337) 5.934 4.197 ( 6.935 -1.420 0.456) 7.094 4.301 ( -5.028 0.747 3.405) 6.118 4.444 ( -2.052 -6.799 -3.143) 7.767 4.540 ( 1.606 3.979 3.397) 5.473 4.729 ( 2.346 -2.673 4.963) 6.106 4.812 ( 10.838 -2.568 1.967) 11.311 4.944 ( -0.743 -8.606 -6.779) 10.980 5.179 ( -2.161 2.900 3.902) 5.320 5.215 ( 0.558 0.169 3.151) 3.204 5.336 ( -9.876 10.148 -7.733) 16.134 5.404 ( 2.766 -0.174 -2.983) 4.072 5.575 ( 2.182 -3.100 0.440) 3.816 5.634 ( -0.808 7.466 -2.941) 8.065 5.855 ( -0.567 1.453 -0.909) 1.806 6.021 ( -0.584 -1.507 5.510) 5.742 6.035 ( -1.504 -0.290 -1.084) 1.876 6.248 ( -1.026 5.003 -2.966) 5.906 6.475 ( -5.007 1.163 0.406) 5.156 6.623 ( 0.121 -2.661 -6.385) 6.919 6.687 ( -1.194 -0.609 2.685) 3.001 6.898 ( 6.094 4.456 -8.106) 11.077 7.038 ( -9.342 0.052 5.311) 10.746 7.128 ( 0.783 3.386 3.208) 4.729 7.362 ( -2.853 -4.482 0.300) 5.321 7.499 ( -3.228 0.793 -0.753) 3.408 7.829 ( 0.248 2.846 6.598) 7.190 7.838 ( 4.129 3.058 -6.684) 8.430 8.115 ( -4.953 -4.990 -1.682) 7.230 8.132 ( -0.991 -2.080 1.173) 2.586 8.334 ( -0.944 -2.245 0.343) 2.459 8.414 ( -3.931 -0.526 2.106) 4.491 8.674 ( -3.155 5.280 -5.601) 8.319 8.885 ( -2.214 2.061 6.796) 7.438 9.546 ( 9.297 1.517 -0.218) 9.423 9.592 ( 11.209 0.755 -0.968) 11.276 9.716 ( -0.148 -3.452 0.755) 3.536 9.938 ( -3.190 0.932 -1.921) 3.839 10.245 ( 0.869 0.389 2.262) 2.454 10.383 ( -2.153 2.659 -3.711) 5.048 11.042 ( 0.598 -2.069 0.255) 2.169 11.168 ( -1.166 -1.395 -0.206) 1.830 11.437 ( -2.551 -1.617 1.788) 3.510 12.128 ( 4.398 1.011 6.180) 7.653 12.423 ( -1.095 -1.236 -6.261) 6.475 12.438 ( -1.186 3.498 5.099) 6.297 13.337 ( -3.595 -1.837 -3.092) 5.086 13.432 ( -1.156 2.723 -4.061) 5.024 14.272 ( -3.314 2.028 -2.162) 4.446 15.461 ( 3.466 2.316 -0.216) 4.174 15.979 ( -3.241 6.870 22.218) 23.481 15.980 ( 6.593 -2.776 -4.268) 8.330 18.521 ( 7.597 8.450 -8.856) 14.406 19.214 ( -9.083 1.379 0.374) 9.195 19.675 ( -0.078 -1.362 2.952) 3.252 21.040 ( -0.337 -4.785 -2.155) 5.259 21.816 ( 0.260 -3.209 -1.632) 3.609 21.871 ( 0.205 -1.338 0.676) 1.513 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 -0.000 0.000) 0.000 2.189 ( 0.000 -0.000 -0.000) 0.000 2.697 ( -0.000 -0.000 -0.000) 0.000 2.806 ( 0.000 -0.000 0.000) 0.000 3.370 ( 0.000 -0.000 0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.853 ( 0.000 -0.000 0.000) 0.000 4.016 ( 0.000 -0.000 -0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 -0.000 -0.000) 0.000 4.281 ( 0.000 -0.000 -0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 -0.000 -0.000) 0.000 4.802 ( 0.000 -0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 -0.000 -0.000) 0.000 5.104 ( 0.000 -0.000 -0.000) 0.000 5.189 ( 0.000 -0.000 0.000) 0.000 5.215 ( 0.000 -0.000 -0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.606 ( -0.000 -0.000 -0.000) 0.000 5.885 ( 0.000 0.000 -0.000) 0.000 5.985 ( 0.000 -0.000 -0.000) 0.000 6.053 ( 0.000 -0.000 0.000) 0.000 6.235 ( 0.000 -0.000 0.000) 0.000 6.361 ( 0.000 -0.000 0.000) 0.000 6.644 ( 0.000 -0.000 0.000) 0.000 6.686 ( 0.000 -0.000 0.000) 0.000 6.889 ( 0.000 -0.000 -0.000) 0.000 6.992 ( -0.000 -0.000 0.000) 0.000 7.123 ( 0.000 -0.000 0.000) 0.000 7.364 ( 0.000 -0.000 0.000) 0.000 7.462 ( 0.000 -0.000 0.000) 0.000 7.823 ( 0.000 -0.000 -0.000) 0.000 7.858 ( -0.000 -0.000 0.000) 0.000 8.075 ( 0.000 -0.000 0.000) 0.000 8.146 ( 0.000 -0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 -0.000 0.000) 0.000 8.598 ( 0.000 -0.000 0.000) 0.000 8.874 ( 0.000 -0.000 -0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 9.653 ( -0.000 -0.000 0.000) 0.000 9.760 ( 0.000 -0.000 -0.000) 0.000 9.895 ( 0.000 -0.000 -0.000) 0.000 10.242 ( 0.000 -0.000 0.000) 0.000 10.354 ( 0.000 -0.000 -0.000) 0.000 11.059 ( 0.000 -0.000 0.000) 0.000 11.163 ( 0.000 -0.000 0.000) 0.000 11.426 ( 0.000 -0.000 0.000) 0.000 12.169 ( 0.000 -0.000 -0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.423 ( 0.000 -0.000 -0.000) 0.000 13.346 ( 0.000 0.000 -0.000) 0.000 13.365 ( 0.000 -0.000 0.000) 0.000 14.232 ( 0.000 -0.000 0.000) 0.000 15.478 ( 0.000 -0.000 -0.000) 0.000 15.951 ( 0.000 -0.000 0.000) 0.000 16.058 ( 0.000 -0.000 0.000) 0.000 18.520 ( -0.000 -0.000 0.000) 0.000 19.127 ( 0.000 -0.000 -0.000) 0.000 19.693 ( 0.000 -0.000 -0.000) 0.000 21.055 ( 0.000 -0.000 -0.000) 0.000 21.831 ( 0.000 -0.000 0.000) 0.000 21.881 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 29.266 0.000 20.365) 35.654 1.117 ( 30.573 0.000 13.529) 33.433 1.969 ( 55.057 0.000 7.681) 55.590 2.557 ( -1.522 -0.000 1.581) 2.195 3.014 ( -1.855 -0.000 -29.216) 29.275 3.483 ( 26.361 0.000 -3.094) 26.542 3.644 ( -6.071 -0.000 -7.033) 9.290 3.691 ( 3.777 0.000 10.438) 11.100 3.741 ( -2.800 -0.000 1.696) 3.273 3.849 ( 12.056 0.000 7.004) 13.942 4.006 ( 4.958 0.000 0.719) 5.010 4.318 ( 9.270 0.000 5.315) 10.686 4.438 ( -2.581 -0.000 0.334) 2.602 4.586 ( -3.421 -0.000 -1.315) 3.665 4.779 ( 5.182 0.000 0.462) 5.203 4.780 ( -4.332 -0.000 -0.144) 4.335 5.056 ( 5.804 0.000 -6.025) 8.366 5.279 ( -3.515 -0.000 -1.113) 3.687 5.451 ( -5.651 -0.000 1.670) 5.893 5.712 ( -1.516 -0.000 -2.240) 2.704 5.869 ( 1.378 0.000 1.706) 2.193 5.964 ( -3.030 -0.000 -1.813) 3.531 6.037 ( -9.819 -0.000 0.704) 9.844 6.071 ( -3.968 -0.000 -7.786) 8.739 6.275 ( -2.159 -0.000 -4.155) 4.682 6.336 ( -9.578 -0.000 1.435) 9.685 6.405 ( 1.059 0.000 -6.188) 6.278 6.619 ( -1.362 -0.000 9.774) 9.869 6.788 ( -1.417 -0.000 4.264) 4.493 7.089 ( 2.448 0.000 -1.532) 2.888 7.162 ( 4.943 0.000 -9.142) 10.393 7.304 ( -0.261 -0.000 3.223) 3.233 7.485 ( -11.933 -0.000 -3.484) 12.431 7.641 ( -5.434 -0.000 4.305) 6.933 7.697 ( -3.943 -0.000 -0.293) 3.954 7.837 ( 0.993 0.000 -6.075) 6.156 8.000 ( 4.437 0.000 3.930) 5.927 8.174 ( -1.815 -0.000 6.416) 6.667 8.287 ( -0.753 -0.000 1.008) 1.258 8.448 ( 2.167 0.000 3.327) 3.970 8.831 ( 6.936 0.000 -3.090) 7.593 9.002 ( 0.877 0.000 1.066) 1.381 9.187 ( 12.468 0.000 2.694) 12.756 9.331 ( -0.898 -0.000 -0.396) 0.981 9.703 ( -1.421 -0.000 -5.260) 5.449 10.059 ( -0.475 -0.000 -0.411) 0.628 10.164 ( -0.525 -0.000 4.840) 4.868 10.684 ( -5.373 -0.000 -5.244) 7.508 10.920 ( 2.241 0.000 -0.978) 2.445 11.149 ( -1.006 -0.000 0.349) 1.065 11.414 ( -3.003 -0.000 8.420) 8.940 11.826 ( 8.090 0.000 4.271) 9.148 12.558 ( -4.127 -0.000 -2.566) 4.859 12.600 ( -3.236 -0.000 4.657) 5.671 13.458 ( 3.253 0.000 -4.238) 5.343 13.709 ( -11.485 -0.000 -2.772) 11.815 14.718 ( -13.417 -0.000 -7.162) 15.209 15.247 ( 5.006 0.000 0.884) 5.083 15.729 ( 15.265 0.000 -16.095) 22.183 16.380 ( -36.451 -0.000 107.107) 113.140 19.198 ( 1.509 0.000 2.647) 3.047 19.364 ( -11.121 -0.000 0.096) 11.122 19.817 ( 21.076 0.000 -72.339) 75.347 20.395 ( 2.144 0.000 13.527) 13.696 21.656 ( 1.010 0.000 -0.818) 1.300 21.792 ( 0.820 0.000 0.509) 0.965 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 29.950 4.943 10.087) 31.987 1.707 ( 29.450 -5.739 15.615) 33.824 2.530 ( 1.985 13.498 -0.056) 13.643 2.827 ( 32.411 -5.827 -1.247) 32.954 2.909 ( 14.095 -6.161 -17.531) 23.323 3.506 ( -1.902 4.122 -8.541) 9.672 3.647 ( 0.000 1.285 2.512) 2.822 3.826 ( 4.109 -4.974 1.587) 6.644 3.896 ( 16.019 -0.645 2.011) 16.157 4.023 ( 3.984 -0.251 -0.243) 3.999 4.109 ( 4.486 -7.239 3.267) 9.122 4.391 ( -6.182 -3.469 2.961) 7.682 4.501 ( 8.770 0.547 6.485) 10.920 4.578 ( 2.826 -1.693 -0.531) 3.336 4.704 ( -4.538 -0.550 -1.412) 4.785 4.838 ( -0.664 -1.300 6.557) 6.717 5.163 ( 8.363 -2.474 -3.185) 9.284 5.227 ( -0.672 0.854 -1.559) 1.900 5.355 ( -5.717 2.760 2.858) 6.962 5.668 ( -0.880 3.679 -3.951) 5.470 5.815 ( -7.985 3.645 -4.165) 9.716 5.861 ( -13.977 -0.509 -3.956) 14.535 5.906 ( 2.286 1.616 -3.171) 4.230 5.979 ( -0.702 1.174 1.055) 1.728 6.192 ( -6.135 2.750 4.601) 8.147 6.270 ( 0.560 -2.993 -4.368) 5.325 6.424 ( 2.241 -0.895 -2.742) 3.652 6.639 ( -1.137 -0.185 5.699) 5.815 6.731 ( -7.239 -0.530 2.895) 7.815 7.107 ( 6.589 8.120 -7.628) 12.943 7.198 ( -3.037 5.328 -1.724) 6.370 7.241 ( -1.638 -4.735 -3.756) 6.262 7.278 ( -8.971 2.427 -2.300) 9.574 7.577 ( -2.493 1.763 2.821) 4.157 7.714 ( -3.034 -11.165 0.830) 11.600 7.841 ( 3.431 -0.147 -6.885) 7.694 8.056 ( -0.229 1.339 5.849) 6.005 8.182 ( -0.300 2.264 5.335) 5.804 8.271 ( -2.367 -1.972 1.684) 3.511 8.406 ( -7.311 -3.545 1.246) 8.220 8.928 ( -7.803 2.249 -0.380) 8.129 8.971 ( 8.310 3.790 1.981) 9.346 9.388 ( 12.262 0.918 -0.783) 12.321 9.407 ( 10.101 -0.337 2.547) 10.423 9.661 ( -0.319 -0.914 -7.670) 7.731 10.029 ( -3.878 0.374 1.140) 4.060 10.194 ( 1.753 -0.436 3.776) 4.186 10.558 ( -6.103 1.549 -4.884) 7.969 10.961 ( 2.266 -1.101 0.643) 2.600 11.140 ( -0.642 -0.810 -0.063) 1.035 11.413 ( -1.993 -0.849 5.488) 5.900 11.998 ( 9.508 0.183 6.729) 11.650 12.468 ( -4.820 -0.548 -5.402) 7.260 12.557 ( -3.447 2.376 6.024) 7.336 13.483 ( -0.557 0.681 -4.383) 4.470 13.489 ( -8.814 0.361 -5.817) 10.567 14.480 ( -9.875 2.636 -7.307) 12.564 15.345 ( 3.157 -4.039 0.378) 5.140 15.861 ( 13.115 1.796 -17.039) 21.577 16.266 ( -22.154 8.747 66.692) 70.818 18.997 ( -1.817 23.968 -6.592) 24.924 19.279 ( -3.073 -4.820 3.076) 6.492 19.774 ( 5.795 5.472 -29.307) 30.371 20.642 ( 3.907 -19.858 4.965) 20.839 21.686 ( 1.429 -2.614 -1.129) 3.185 21.812 ( 0.617 -1.088 0.580) 1.379 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 27.101 8.506 6.326) 29.100 2.273 ( 24.695 -3.480 12.379) 27.842 2.319 ( 3.756 24.577 -10.561) 27.012 3.033 ( 13.093 -1.847 -9.730) 16.416 3.169 ( -1.367 0.551 -6.056) 6.233 3.641 ( 7.847 -7.315 6.740) 12.669 3.747 ( 11.209 -2.494 -6.123) 13.014 3.872 ( 1.698 -4.080 -2.786) 5.224 4.017 ( 3.335 -2.962 -0.584) 4.498 4.129 ( 2.077 -5.384 1.639) 5.999 4.212 ( -3.355 -11.341 -3.769) 12.413 4.348 ( -4.716 1.130 9.842) 10.972 4.562 ( -2.037 -0.836 2.444) 3.289 4.664 ( 0.959 -3.412 -0.299) 3.557 4.753 ( 10.153 -2.867 3.252) 11.040 4.885 ( 2.579 2.242 10.902) 11.425 5.189 ( -1.977 0.275 0.546) 2.070 5.263 ( -3.600 2.565 2.594) 5.125 5.338 ( 5.704 -4.424 -1.901) 7.465 5.535 ( -11.320 7.639 -9.099) 16.410 5.548 ( -7.128 1.912 -0.510) 7.398 5.754 ( 0.525 1.215 -2.385) 2.727 5.897 ( -0.472 2.174 -2.363) 3.245 5.999 ( 2.714 0.740 1.608) 3.240 6.117 ( -0.911 6.364 6.755) 9.325 6.280 ( -0.157 -0.695 -2.243) 2.353 6.468 ( 1.099 -2.302 -0.365) 2.577 6.585 ( -6.580 -0.413 -4.088) 7.757 6.671 ( -2.564 -1.389 2.897) 4.110 6.982 ( -7.634 1.135 -5.972) 9.759 7.083 ( 1.554 8.053 -6.634) 10.549 7.150 ( -5.016 -1.144 -1.324) 5.313 7.317 ( 4.961 -0.131 0.099) 4.963 7.532 ( -1.788 2.164 0.470) 2.846 7.783 ( -3.509 -8.067 4.818) 10.030 7.881 ( 5.356 0.133 -6.599) 8.500 8.040 ( -2.611 -0.347 2.992) 3.986 8.142 ( -2.860 2.762 3.335) 5.190 8.264 ( -3.373 -3.556 1.670) 5.178 8.384 ( -0.024 -3.066 0.158) 3.070 8.746 ( -11.142 1.983 4.499) 12.179 9.010 ( 3.869 9.189 -0.764) 9.999 9.562 ( 9.725 0.236 -2.975) 10.173 9.597 ( 9.810 -2.606 3.036) 10.594 9.640 ( -0.173 -1.814 -6.038) 6.307 9.942 ( -6.775 -0.321 -0.123) 6.784 10.253 ( 2.216 0.281 3.806) 4.413 10.429 ( -4.861 1.848 -3.843) 6.467 11.018 ( 2.861 -0.519 2.650) 3.934 11.144 ( 0.177 -0.969 -0.748) 1.237 11.418 ( -0.610 -0.368 3.289) 3.365 12.150 ( 4.582 1.017 7.536) 8.878 12.381 ( -2.419 -1.922 -9.468) 9.959 12.510 ( -3.181 2.731 6.972) 8.135 13.313 ( -5.551 -0.725 -4.631) 7.265 13.482 ( 0.819 2.084 -4.098) 4.670 14.298 ( -6.885 0.770 -5.120) 8.615 15.399 ( -2.348 -5.286 -0.764) 5.834 15.957 ( 8.935 -0.253 -15.048) 17.503 16.169 ( -10.900 9.276 41.360) 43.766 18.749 ( -4.486 12.689 -2.625) 13.713 19.240 ( -5.121 0.887 0.586) 5.230 19.714 ( 7.521 5.696 -14.564) 17.353 20.876 ( 3.256 -11.847 3.432) 12.757 21.736 ( 1.524 -3.633 -0.754) 4.011 21.837 ( 0.380 -1.916 0.377) 1.989 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 6.384 26.296 -4.060) 27.363 2.332 ( 15.446 12.867 3.856) 20.470 2.689 ( 15.057 -0.395 3.171) 15.392 2.907 ( -4.030 9.418 -7.552) 12.727 3.342 ( 10.127 -2.910 -2.784) 10.899 3.688 ( -2.317 1.298 -1.347) 2.978 3.822 ( 1.520 -6.494 1.929) 6.942 3.918 ( -0.199 -5.008 -7.242) 8.807 4.111 ( -6.765 -4.445 0.322) 8.101 4.228 ( -1.875 -15.721 -7.480) 17.510 4.254 ( 6.017 -1.511 -0.314) 6.212 4.307 ( -3.915 2.234 8.600) 9.709 4.550 ( -3.711 -4.630 2.882) 6.596 4.753 ( 1.404 -8.187 0.008) 8.307 4.896 ( 1.250 2.295 3.679) 4.512 4.985 ( 6.820 1.434 9.673) 11.922 5.120 ( -8.409 0.788 3.117) 9.002 5.210 ( -5.237 1.549 -2.190) 5.884 5.237 ( -3.242 2.042 -0.344) 3.847 5.404 ( -2.595 -0.769 -0.308) 2.724 5.520 ( -0.408 -4.965 -3.344) 6.001 5.775 ( 5.331 9.288 1.952) 10.885 5.839 ( -1.237 0.581 1.471) 2.008 6.040 ( 1.049 0.137 2.550) 2.761 6.104 ( 2.625 6.974 5.136) 9.050 6.257 ( -1.936 1.582 -2.661) 3.651 6.377 ( -5.309 1.720 -2.639) 6.173 6.557 ( -1.162 -6.505 -4.166) 7.812 6.675 ( 0.696 -2.174 -0.598) 2.360 6.887 ( -3.372 -0.685 1.437) 3.729 7.035 ( 3.686 3.365 -7.708) 9.183 7.078 ( -4.047 -2.369 -5.703) 7.384 7.396 ( 6.015 2.113 1.308) 6.508 7.488 ( -1.209 2.095 -0.028) 2.419 7.794 ( -4.805 -3.038 6.817) 8.877 7.890 ( -1.330 2.597 -2.896) 4.111 8.043 ( 1.304 -2.390 1.159) 2.960 8.138 ( 3.444 -0.534 -1.183) 3.680 8.272 ( -1.500 -5.373 0.251) 5.584 8.416 ( 2.263 1.720 1.685) 3.304 8.620 ( -6.185 1.171 7.806) 10.028 8.949 ( 2.012 7.326 -5.548) 9.407 9.604 ( -4.248 -2.694 -3.975) 6.411 9.656 ( 1.868 0.233 0.643) 1.989 9.749 ( 3.189 -1.125 1.431) 3.672 9.854 ( -3.080 -3.304 -2.671) 5.248 10.263 ( -1.513 1.691 2.732) 3.552 10.352 ( -2.113 -0.158 -1.383) 2.530 11.078 ( 3.115 1.713 2.903) 4.590 11.160 ( 1.669 -0.332 -0.539) 1.785 11.437 ( 2.139 1.004 1.540) 2.820 12.172 ( -2.238 0.122 0.120) 2.245 12.353 ( 0.460 -2.712 -8.319) 8.762 12.473 ( -2.572 2.331 7.724) 8.468 13.296 ( 2.008 -2.313 0.330) 3.081 13.432 ( -0.898 3.876 -2.306) 4.598 14.206 ( -3.251 -2.318 -2.498) 4.709 15.371 ( -7.901 -7.910 -2.722) 11.507 15.973 ( 0.223 0.881 -5.635) 5.708 16.142 ( -1.174 6.936 15.895) 17.382 18.570 ( -8.022 4.330 3.343) 9.710 19.163 ( 0.324 3.323 -1.944) 3.864 19.732 ( 6.925 4.014 -9.730) 12.600 21.015 ( 2.678 -4.159 3.643) 6.143 21.791 ( 0.984 -3.163 0.721) 3.390 21.863 ( 0.542 -1.813 -0.363) 1.927 ======================= Grid point 16 (11/141) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 9.841 17.815 5.851) 21.177 2.249 ( -4.666 19.988 0.803) 20.541 2.569 ( -11.845 8.728 -10.925) 18.326 3.002 ( 12.896 4.155 6.026) 14.828 3.363 ( -2.830 4.814 -0.480) 5.604 3.626 ( -3.367 -0.021 -10.783) 11.296 3.817 ( -6.401 -1.718 7.975) 10.369 3.996 ( -3.303 -1.673 -3.812) 5.314 4.046 ( -2.379 -3.856 -11.771) 12.613 4.220 ( -7.996 0.362 5.243) 9.568 4.303 ( 1.719 -1.480 3.516) 4.184 4.314 ( -0.579 -12.072 -6.153) 13.562 4.563 ( 1.266 1.247 2.358) 2.952 4.787 ( -8.267 -1.992 0.570) 8.523 4.813 ( -5.412 -2.518 -4.138) 7.263 5.034 ( 0.720 1.842 10.413) 10.599 5.086 ( -2.661 -4.608 0.395) 5.335 5.151 ( -1.093 -4.453 1.837) 4.940 5.250 ( 3.557 1.067 -0.271) 3.723 5.398 ( -2.258 -1.809 3.512) 4.550 5.544 ( 0.765 -3.099 -1.130) 3.386 5.665 ( -3.981 8.278 2.635) 9.556 5.883 ( -0.894 3.368 0.995) 3.624 6.048 ( 1.397 1.289 8.529) 8.738 6.074 ( -0.078 2.184 -1.793) 2.826 6.178 ( -0.034 0.685 -2.270) 2.372 6.440 ( 6.465 -2.790 -0.127) 7.043 6.570 ( -2.067 -7.177 -2.317) 7.820 6.721 ( 2.423 0.056 -0.386) 2.454 6.842 ( -5.602 -0.989 1.975) 6.022 7.044 ( 1.513 -1.900 -3.659) 4.391 7.055 ( 5.289 0.061 -7.639) 9.291 7.450 ( 1.762 3.468 -1.888) 4.324 7.491 ( 5.412 -1.068 -1.033) 5.613 7.757 ( -7.025 -1.388 5.053) 8.764 7.819 ( -2.509 0.626 2.999) 3.960 8.129 ( 5.595 -1.388 -1.767) 6.029 8.202 ( 4.483 1.405 1.505) 4.933 8.324 ( 2.549 -3.095 -0.821) 4.093 8.437 ( 2.101 2.166 -1.068) 3.201 8.598 ( -2.215 -1.289 11.211) 11.500 8.907 ( 4.278 3.339 -9.957) 11.340 9.505 ( -9.465 -2.506 -2.291) 10.055 9.582 ( -11.693 -0.303 3.621) 12.244 9.758 ( 1.561 0.935 -3.690) 4.115 9.897 ( 1.576 -3.427 0.495) 3.804 10.244 ( -0.645 0.411 0.851) 1.144 10.333 ( -1.308 -2.246 2.880) 3.879 11.095 ( 0.980 3.017 0.706) 3.250 11.196 ( 3.024 1.474 0.365) 3.384 11.480 ( 4.513 2.604 0.379) 5.224 12.113 ( -3.870 -0.597 -5.504) 6.755 12.343 ( -1.253 -4.461 -7.917) 9.173 12.464 ( -0.555 1.549 8.001) 8.169 13.373 ( 2.537 -0.439 2.662) 3.704 13.396 ( 1.948 1.321 2.333) 3.314 14.213 ( 0.772 -4.020 0.070) 4.094 15.288 ( -11.513 -11.943 -7.234) 18.097 15.932 ( -1.239 0.154 -4.852) 5.010 16.084 ( -4.092 7.061 3.561) 8.904 18.436 ( -10.348 -0.917 7.972) 13.095 19.200 ( 7.421 0.148 -0.560) 7.444 19.742 ( 5.517 4.862 -10.158) 12.541 21.088 ( 2.452 0.763 4.193) 4.917 21.830 ( -0.043 -1.376 2.787) 3.109 21.884 ( 1.108 -0.451 -1.390) 1.834 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -11.765 22.179 2.900) 25.273 2.135 ( -1.018 10.644 -6.851) 12.699 2.181 ( -4.444 10.589 7.823) 13.895 3.033 ( -4.469 6.648 5.669) 9.813 3.333 ( -2.262 8.312 -4.303) 9.630 3.492 ( -12.009 0.457 1.318) 12.090 3.526 ( -15.301 2.802 -7.824) 17.412 3.832 ( -14.290 -1.783 -2.009) 14.540 3.980 ( -7.506 0.258 -5.600) 9.368 4.120 ( -1.315 0.943 0.988) 1.896 4.365 ( -1.761 -4.660 -5.821) 7.662 4.371 ( -1.657 -0.136 1.685) 2.368 4.590 ( 2.288 2.582 0.161) 3.454 4.678 ( -3.240 0.557 -2.343) 4.037 4.747 ( 2.942 2.588 -0.914) 4.023 5.056 ( -1.630 1.903 9.722) 10.040 5.117 ( 0.193 -6.538 -1.754) 6.772 5.192 ( -2.180 4.644 -5.240) 7.333 5.315 ( 0.430 -9.983 2.488) 10.298 5.443 ( 4.122 -4.640 7.472) 9.714 5.573 ( 0.695 0.040 -0.289) 0.753 5.605 ( -0.071 -3.618 2.522) 4.411 5.842 ( -0.452 -2.239 4.054) 4.653 6.035 ( 0.537 2.513 -3.758) 4.553 6.164 ( 7.436 4.352 6.044) 10.524 6.223 ( 1.678 -7.607 3.749) 8.645 6.459 ( -3.996 -2.312 -2.434) 5.219 6.659 ( -1.183 -4.431 5.763) 7.365 6.708 ( 1.772 2.213 -6.000) 6.636 6.783 ( -3.492 -2.244 3.844) 5.658 7.065 ( 0.219 -1.458 -2.075) 2.545 7.166 ( 9.035 -2.579 -7.086) 11.768 7.455 ( 4.739 2.925 -2.943) 6.299 7.585 ( 4.760 -3.748 -5.147) 7.949 7.689 ( -3.437 -0.346 3.365) 4.822 7.828 ( -1.057 -2.249 6.466) 6.927 8.189 ( 3.993 2.421 -1.600) 4.936 8.269 ( 5.438 5.429 2.831) 8.189 8.341 ( -1.120 0.718 -1.672) 2.136 8.476 ( 4.102 -1.937 -3.212) 5.559 8.649 ( -2.443 -4.156 9.758) 10.884 8.927 ( 6.555 0.288 -10.215) 12.141 9.333 ( -13.099 -2.426 -3.374) 13.742 9.383 ( -14.163 0.477 3.544) 14.608 9.748 ( 0.504 2.195 -0.185) 2.260 9.959 ( 1.732 -3.296 0.907) 3.832 10.217 ( -1.613 0.546 0.969) 1.959 10.418 ( 4.291 -4.451 6.152) 8.722 11.065 ( -0.834 3.424 0.206) 3.530 11.217 ( 2.356 2.473 -1.512) 3.735 11.519 ( 4.203 4.195 -0.525) 5.961 11.998 ( -7.004 0.630 -5.787) 9.107 12.331 ( -2.766 -7.173 -7.951) 11.060 12.505 ( 2.523 0.467 5.820) 6.361 13.442 ( 2.668 -0.880 3.435) 4.438 13.455 ( 4.368 -0.790 4.607) 6.398 14.306 ( 4.720 -4.860 2.490) 7.218 15.174 ( -14.019 -17.244 -15.862) 27.303 15.851 ( -5.892 3.657 -7.809) 10.443 15.937 ( -6.281 2.379 -1.112) 6.808 18.329 ( -12.385 -4.292 11.361) 17.346 19.366 ( 9.061 -1.713 5.716) 10.849 19.725 ( 6.907 4.397 -15.093) 17.171 21.130 ( 3.085 3.869 5.328) 7.272 21.843 ( -0.775 0.384 3.438) 3.545 21.893 ( 1.747 2.171 -0.829) 2.908 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -13.013 25.766 4.705) 29.247 1.621 ( -19.420 19.666 -13.937) 30.953 2.411 ( 10.491 -0.859 14.044) 17.551 2.655 ( -35.590 22.570 -8.411) 42.974 2.978 ( -3.996 4.418 14.676) 15.839 3.328 ( -5.772 -5.455 -18.836) 20.442 3.400 ( -20.470 -4.727 4.074) 21.400 3.744 ( 6.303 4.384 7.837) 10.971 3.824 ( -6.022 3.110 -4.875) 8.350 4.031 ( -5.342 4.514 -3.347) 7.754 4.240 ( -7.520 5.242 -3.293) 9.740 4.311 ( -3.880 -0.739 -4.843) 6.250 4.629 ( 2.021 -0.012 1.523) 2.531 4.672 ( 1.621 1.443 -0.500) 2.227 4.782 ( 3.912 2.205 -1.859) 4.860 4.976 ( -4.532 7.453 4.791) 9.952 5.162 ( 1.178 -3.758 -1.327) 4.156 5.221 ( -2.331 2.533 1.655) 3.819 5.282 ( 4.798 -3.902 -0.556) 6.210 5.597 ( 2.665 -2.121 1.040) 3.561 5.693 ( 6.978 -13.541 2.056) 15.371 5.754 ( 3.283 -9.175 5.723) 11.301 5.893 ( 0.179 -3.646 -0.255) 3.659 6.035 ( 1.815 -1.025 1.922) 2.835 6.244 ( 4.312 -0.373 0.463) 4.352 6.352 ( 0.533 -1.538 9.337) 9.478 6.430 ( 1.251 -2.793 -0.736) 3.147 6.594 ( -6.013 -0.688 2.876) 6.701 6.756 ( 2.532 -2.603 -4.801) 6.020 6.820 ( 0.734 -4.546 6.406) 7.890 7.058 ( 0.055 0.102 -3.338) 3.340 7.254 ( 1.573 -4.062 -7.956) 9.070 7.506 ( 7.187 4.045 -1.747) 8.430 7.652 ( -0.230 -7.431 -4.739) 8.817 7.716 ( 5.663 2.045 3.021) 6.736 7.883 ( 1.783 -1.864 5.034) 5.656 8.206 ( 2.674 6.573 1.890) 7.343 8.236 ( 0.617 6.218 -4.991) 7.998 8.337 ( 0.392 0.315 0.871) 1.005 8.483 ( -5.130 -1.459 -3.122) 6.180 8.698 ( 0.809 -3.563 3.428) 5.010 8.988 ( 2.383 -2.085 -3.821) 4.963 9.152 ( -9.304 -3.244 -3.227) 10.368 9.179 ( -11.186 0.817 0.053) 11.216 9.734 ( -0.923 1.561 1.885) 2.615 10.012 ( 0.686 -2.523 0.992) 2.796 10.237 ( 4.427 1.240 5.012) 6.801 10.578 ( 5.951 -3.945 6.666) 9.768 11.008 ( -2.238 3.198 0.330) 3.917 11.214 ( 2.279 2.698 -3.684) 5.103 11.520 ( 2.471 4.929 -2.075) 5.891 11.848 ( -6.790 1.447 -3.909) 7.968 12.306 ( -7.161 -10.580 -8.263) 15.215 12.575 ( 3.388 0.071 3.117) 4.605 13.454 ( -1.884 -0.054 3.570) 4.037 13.623 ( 8.736 -3.957 2.800) 9.991 14.485 ( 9.034 -6.785 3.044) 11.701 15.010 ( -19.758 -24.928 -31.430) 44.717 15.622 ( -8.340 9.562 -3.980) 13.298 15.814 ( -10.167 -3.751 -6.618) 12.698 18.225 ( -15.089 -5.985 14.482) 21.753 19.459 ( 0.156 7.498 7.497) 10.604 19.822 ( 14.801 -5.710 -15.172) 21.952 21.171 ( 4.780 5.950 7.055) 10.393 21.833 ( -1.061 1.188 1.693) 2.324 21.898 ( 3.493 5.319 2.576) 6.865 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -10.125 29.384 0.792) 31.089 1.063 ( -15.353 25.975 -3.142) 30.336 1.723 ( -34.599 34.030 -13.316) 50.323 2.637 ( 5.803 -2.234 3.920) 7.350 2.955 ( -8.822 -0.105 14.050) 16.591 3.169 ( -10.239 -2.962 7.793) 13.204 3.300 ( 2.392 -10.452 -12.677) 16.603 3.663 ( -5.414 2.479 -3.981) 7.163 3.798 ( -3.463 6.213 8.107) 10.785 3.968 ( 9.321 7.061 -2.492) 11.956 4.063 ( -7.507 4.452 -4.603) 9.867 4.210 ( -2.880 4.632 -4.040) 6.788 4.561 ( -6.787 0.456 -2.020) 7.096 4.679 ( -0.640 3.486 3.916) 5.282 4.791 ( 2.015 3.539 -2.998) 5.057 4.965 ( 4.255 -1.714 3.893) 6.016 5.090 ( -3.799 5.772 3.173) 7.603 5.248 ( 2.667 -4.818 0.571) 5.536 5.488 ( 10.460 -3.514 1.813) 11.183 5.678 ( 2.922 -1.556 1.702) 3.722 5.822 ( -3.029 -5.003 1.954) 6.166 5.917 ( 7.482 -9.399 -3.044) 12.393 5.958 ( 1.386 -5.328 -1.788) 5.789 6.094 ( -2.443 -6.362 4.884) 8.384 6.323 ( 2.463 -1.294 6.557) 7.123 6.392 ( 2.279 0.815 3.272) 4.070 6.497 ( -0.592 -4.584 -1.222) 4.781 6.558 ( 0.996 0.028 1.892) 2.138 6.792 ( 1.708 -1.509 -1.914) 2.976 6.935 ( 2.665 -5.679 5.468) 8.322 7.040 ( -0.350 -0.241 -3.668) 3.692 7.235 ( -3.597 -4.622 -5.605) 8.107 7.587 ( 6.760 1.133 -1.442) 7.004 7.695 ( -0.519 -6.601 -2.433) 7.055 7.817 ( 7.157 3.518 3.416) 8.676 7.962 ( 5.399 1.589 3.762) 6.769 8.114 ( -1.603 5.351 -2.376) 6.070 8.229 ( 4.311 4.402 -1.063) 6.252 8.300 ( -7.018 2.552 -2.213) 7.789 8.352 ( -3.859 2.356 -0.185) 4.526 8.776 ( 2.474 -4.616 -0.889) 5.312 8.947 ( -7.346 -1.509 0.710) 7.533 9.029 ( -3.369 3.047 -0.940) 4.639 9.108 ( -4.165 -7.491 -6.624) 10.832 9.688 ( -4.561 0.692 1.208) 4.769 10.050 ( 1.025 -1.502 0.783) 1.980 10.403 ( 15.581 4.304 13.698) 21.188 10.724 ( 4.289 -2.479 5.072) 7.090 10.946 ( -1.791 2.569 0.133) 3.134 11.207 ( 2.879 2.897 -4.085) 5.777 11.489 ( 2.322 4.273 -7.011) 8.533 11.735 ( -3.727 1.688 -1.591) 4.390 12.174 ( -23.722 -16.824 -14.261) 32.390 12.628 ( 1.884 0.245 1.449) 2.389 13.434 ( -1.526 0.418 1.519) 2.193 13.797 ( 5.974 -4.454 1.896) 7.690 14.617 ( -29.518 -28.862 -51.573) 66.062 14.786 ( 4.902 -10.496 -0.955) 11.624 15.413 ( -3.340 10.071 -1.322) 10.692 15.604 ( -16.033 -1.586 -2.454) 16.297 18.099 ( -16.221 -4.248 15.886) 23.099 19.364 ( -1.526 10.966 1.721) 11.204 20.071 ( 11.061 -9.452 -6.730) 16.030 21.241 ( 6.587 5.348 7.773) 11.507 21.808 ( -0.763 1.511 0.217) 1.707 21.947 ( 8.138 6.544 6.676) 12.394 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.000 29.051 0.000) 29.051 0.680 ( 0.000 34.233 0.000) 34.233 0.899 ( 0.000 46.264 0.000) 46.264 2.690 ( 0.000 1.145 0.000) 1.145 2.898 ( -0.000 -2.868 -0.000) 2.868 3.175 ( -0.000 -4.701 -0.000) 4.701 3.441 ( -0.000 -13.445 -0.000) 13.445 3.566 ( 0.000 2.946 0.000) 2.946 3.778 ( 0.000 5.226 0.000) 5.226 3.854 ( 0.000 6.692 0.000) 6.692 3.978 ( 0.000 9.440 0.000) 9.440 4.147 ( 0.000 2.411 0.000) 2.411 4.489 ( -0.000 -0.843 -0.000) 0.843 4.652 ( 0.000 2.351 0.000) 2.351 4.755 ( 0.000 5.358 0.000) 5.358 5.019 ( 0.000 3.844 0.000) 3.844 5.089 ( -0.000 -6.890 -0.000) 6.890 5.326 ( -0.000 -3.997 -0.000) 3.997 5.596 ( 0.000 3.723 0.000) 3.723 5.731 ( -0.000 -2.895 -0.000) 2.895 5.887 ( -0.000 -8.446 -0.000) 8.446 5.979 ( -0.000 -3.592 -0.000) 3.592 6.076 ( -0.000 -9.544 -0.000) 9.544 6.147 ( -0.000 -2.837 -0.000) 2.837 6.359 ( 0.000 3.197 0.000) 3.197 6.421 ( -0.000 -2.960 -0.000) 2.960 6.517 ( -0.000 -4.133 -0.000) 4.133 6.594 ( 0.000 0.559 0.000) 0.559 6.812 ( 0.000 1.566 0.000) 1.566 7.026 ( -0.000 -4.330 -0.000) 4.330 7.031 ( -0.000 -2.810 -0.000) 2.810 7.220 ( -0.000 -2.201 -0.000) 2.201 7.655 ( -0.000 -2.936 -0.000) 2.936 7.751 ( -0.000 -7.300 -0.000) 7.300 7.841 ( 0.000 6.379 0.000) 6.379 8.029 ( 0.000 4.049 0.000) 4.049 8.095 ( 0.000 1.404 0.000) 1.404 8.149 ( -0.000 -2.169 -0.000) 2.169 8.287 ( 0.000 2.646 0.000) 2.646 8.342 ( 0.000 3.183 0.000) 3.183 8.800 ( -0.000 -6.393 -0.000) 6.393 8.920 ( -0.000 -0.727 -0.000) 0.727 8.987 ( 0.000 2.520 0.000) 2.520 8.997 ( 0.000 1.209 0.000) 1.209 9.619 ( 0.000 1.881 0.000) 1.881 10.072 ( -0.000 -0.691 -0.000) 0.691 10.759 ( -0.000 -4.933 -0.000) 4.933 10.818 ( -0.000 -2.554 -0.000) 2.554 10.922 ( 0.000 1.918 0.000) 1.918 11.259 ( 0.000 1.948 0.000) 1.948 11.427 ( 0.000 4.769 0.000) 4.769 11.643 ( -0.000 -0.909 -0.000) 0.909 11.688 ( 0.000 1.711 0.000) 1.711 12.643 ( 0.000 0.354 0.000) 0.354 13.421 ( 0.000 0.458 0.000) 0.458 13.950 ( -0.000 -5.796 -0.000) 5.796 14.039 ( 0.000 0.451 0.000) 0.451 14.997 ( -0.000 -9.706 -0.000) 9.706 15.323 ( 0.000 7.690 0.000) 7.690 15.400 ( 0.000 2.523 0.000) 2.523 17.985 ( 0.000 1.570 0.000) 1.570 19.250 ( 0.000 9.285 0.000) 9.285 20.236 ( -0.000 -7.891 -0.000) 7.891 21.315 ( 0.000 0.168 0.000) 0.168 21.787 ( 0.000 1.333 0.000) 1.333 22.068 ( -0.000 -0.610 -0.000) 0.610 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 27.534 0.000 10.626) 29.513 2.195 ( 30.850 0.000 8.118) 31.900 2.793 ( 12.673 0.000 9.672) 15.942 2.842 ( 9.388 0.000 -22.353) 24.244 3.213 ( 8.273 0.000 -6.977) 10.822 3.522 ( -5.119 -0.000 -12.489) 13.497 3.652 ( 17.743 0.000 -6.782) 18.995 3.880 ( -0.227 -0.000 11.788) 11.790 3.999 ( -1.671 -0.000 -10.463) 10.595 4.048 ( -3.738 -0.000 3.330) 5.006 4.084 ( 3.553 0.000 1.043) 3.703 4.360 ( -2.128 -0.000 10.819) 11.026 4.550 ( -8.634 -0.000 2.858) 9.095 4.634 ( 3.380 0.000 3.859) 5.130 4.724 ( 10.023 0.000 -0.915) 10.065 4.917 ( 5.555 0.000 15.021) 16.015 5.197 ( -2.873 -0.000 -1.380) 3.187 5.281 ( 7.479 0.000 -0.748) 7.517 5.292 ( -5.523 -0.000 2.406) 6.024 5.593 ( -16.011 -0.000 0.129) 16.011 5.612 ( -11.551 -0.000 -9.626) 15.036 5.730 ( 4.870 0.000 -1.635) 5.137 5.942 ( 0.934 0.000 -3.207) 3.340 6.011 ( 2.689 0.000 0.710) 2.782 6.150 ( 0.201 0.000 3.300) 3.306 6.314 ( 3.849 0.000 2.284) 4.475 6.436 ( 2.096 0.000 -3.318) 3.925 6.567 ( -8.751 -0.000 -0.758) 8.784 6.652 ( -4.432 -0.000 3.171) 5.450 6.981 ( -13.087 -0.000 -4.283) 13.770 7.129 ( -5.731 -0.000 -3.984) 6.980 7.266 ( 2.288 0.000 -11.149) 11.381 7.276 ( 6.440 0.000 -0.875) 6.499 7.578 ( -2.759 -0.000 -0.156) 2.764 7.631 ( 1.872 0.000 5.317) 5.637 7.880 ( 5.963 0.000 -7.064) 9.245 8.041 ( -5.076 -0.000 6.508) 8.254 8.183 ( -4.975 -0.000 6.578) 8.247 8.248 ( -7.975 -0.000 -0.331) 7.982 8.323 ( 7.412 0.000 -0.331) 7.420 8.765 ( -12.465 -0.000 5.990) 13.829 9.132 ( 5.295 0.000 0.473) 5.316 9.527 ( 4.596 0.000 -7.200) 8.542 9.568 ( 9.136 0.000 -1.734) 9.299 9.641 ( 3.938 0.000 -1.777) 4.320 9.937 ( -8.386 -0.000 1.438) 8.508 10.255 ( 2.839 0.000 4.015) 4.917 10.448 ( -5.755 -0.000 -3.729) 6.857 11.014 ( 3.947 0.000 3.819) 5.492 11.133 ( 0.640 0.000 -1.156) 1.321 11.416 ( 0.183 0.000 3.931) 3.935 12.161 ( 4.571 0.000 8.219) 9.405 12.360 ( -2.820 -0.000 -9.890) 10.284 12.537 ( -4.003 -0.000 6.753) 7.851 13.306 ( -6.379 -0.000 -5.173) 8.213 13.504 ( 1.771 0.000 -4.101) 4.468 14.305 ( -8.832 -0.000 -6.994) 11.266 15.338 ( -3.360 -0.000 2.549) 4.217 15.956 ( 9.390 0.000 -19.089) 21.274 16.266 ( -14.757 -0.000 45.027) 47.383 18.896 ( -17.971 -0.000 6.610) 19.148 19.247 ( -0.240 -0.000 1.153) 1.178 19.820 ( 12.410 0.000 -36.650) 38.694 20.701 ( 7.451 0.000 14.181) 16.020 21.701 ( 2.396 0.000 -1.006) 2.599 21.814 ( 0.043 0.000 0.690) 0.692 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 18.979 7.068 2.594) 20.418 2.683 ( 20.249 17.661 -3.602) 27.109 2.714 ( 17.459 16.971 4.525) 24.765 3.135 ( -2.158 11.556 -8.569) 14.547 3.222 ( 17.204 -11.445 0.241) 20.665 3.514 ( 1.063 -20.419 -10.930) 23.185 3.699 ( -2.648 -0.942 -11.298) 11.643 3.891 ( -6.848 -1.128 -3.392) 7.725 3.921 ( -3.582 -4.165 -4.877) 7.346 4.030 ( -3.918 -7.480 9.504) 12.713 4.241 ( 10.616 0.207 1.329) 10.701 4.346 ( -6.477 1.068 10.740) 12.587 4.408 ( -11.226 -5.282 0.203) 12.408 4.692 ( 1.990 -0.328 2.466) 3.186 4.894 ( 7.309 -0.783 6.224) 9.632 5.049 ( -2.747 2.265 6.203) 7.152 5.134 ( -2.601 0.729 10.824) 11.156 5.227 ( -1.597 0.589 0.671) 1.830 5.278 ( -10.183 1.192 -1.911) 10.429 5.373 ( -11.798 -2.056 1.608) 12.083 5.461 ( 3.112 -0.594 -5.934) 6.727 5.845 ( 8.233 0.418 0.471) 8.257 5.901 ( -1.410 3.359 -0.444) 3.670 6.060 ( 2.852 0.139 -1.071) 3.050 6.204 ( 3.762 1.828 1.144) 4.336 6.334 ( 0.608 5.506 3.545) 6.577 6.412 ( -8.193 3.169 -3.204) 9.351 6.449 ( -5.353 -3.196 -1.836) 6.499 6.587 ( -2.364 -6.876 -2.414) 7.661 6.867 ( -0.966 -0.813 1.813) 2.209 7.002 ( -6.876 -1.791 -5.856) 9.207 7.188 ( 3.207 8.284 -11.934) 14.877 7.385 ( 3.650 -4.189 -1.965) 5.894 7.527 ( -2.810 1.656 1.969) 3.810 7.729 ( 3.152 -2.305 4.332) 5.832 7.941 ( 3.040 2.321 -3.261) 5.026 7.996 ( -2.258 -2.353 3.032) 4.453 8.138 ( -0.275 0.403 1.292) 1.381 8.179 ( -2.529 -2.962 0.875) 3.992 8.441 ( 6.285 0.513 0.611) 6.335 8.634 ( -7.864 0.396 10.432) 13.070 9.116 ( -0.844 7.490 -3.195) 8.186 9.515 ( -2.396 -5.182 -9.510) 11.092 9.659 ( 2.207 0.095 -0.681) 2.311 9.729 ( 4.270 -0.512 1.662) 4.611 9.805 ( -7.614 -1.344 -0.115) 7.732 10.290 ( -0.795 0.836 3.597) 3.777 10.350 ( -4.324 -0.024 -2.255) 4.876 11.113 ( 5.293 1.426 4.871) 7.333 11.150 ( 2.331 -0.629 -1.483) 2.834 11.457 ( 3.308 0.700 2.867) 4.433 12.169 ( -3.924 -0.291 -1.685) 4.281 12.319 ( 0.490 -0.748 -6.622) 6.682 12.504 ( -3.593 0.818 7.324) 8.198 13.265 ( 2.083 -0.790 -0.103) 2.230 13.494 ( 0.179 1.923 -3.160) 3.704 14.161 ( -5.919 -1.642 -4.691) 7.729 15.251 ( -10.970 -3.434 2.276) 11.718 15.983 ( 4.182 0.199 -15.231) 15.796 16.250 ( -6.731 3.079 25.320) 26.380 18.646 ( -14.999 2.393 7.174) 16.798 19.228 ( -0.482 2.287 -0.618) 2.417 19.830 ( 10.636 4.383 -23.740) 26.381 20.912 ( 6.836 -4.617 10.521) 13.369 21.745 ( 2.612 -1.141 -0.410) 2.880 21.824 ( -0.026 -1.580 0.526) 1.665 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 10.370 32.189 -0.573) 33.823 2.618 ( -2.558 11.525 -0.387) 11.812 2.818 ( -1.595 20.051 -7.197) 21.364 3.118 ( 18.209 6.457 1.652) 19.391 3.418 ( 1.735 0.072 -3.127) 3.577 3.623 ( -3.492 -0.824 -8.634) 9.350 3.797 ( -1.741 -0.547 5.965) 6.238 3.848 ( -2.278 -18.826 -12.545) 22.737 3.878 ( 7.715 -10.461 -5.070) 13.952 4.078 ( -4.597 -5.159 5.469) 8.813 4.224 ( -9.392 -0.185 5.403) 10.837 4.306 ( -0.852 -2.386 -1.147) 2.781 4.408 ( -1.739 -12.222 4.334) 13.083 4.687 ( -3.946 0.162 2.159) 4.501 4.861 ( -9.148 2.242 -2.904) 9.857 5.009 ( -4.381 -2.998 3.005) 6.100 5.102 ( -4.367 0.881 1.686) 4.763 5.114 ( -5.602 1.807 8.271) 10.151 5.253 ( -1.554 -2.787 2.512) 4.061 5.346 ( 2.414 -0.242 7.603) 7.980 5.505 ( 3.108 -0.564 -4.962) 5.882 5.824 ( -4.189 6.148 2.762) 7.935 5.955 ( 5.763 2.755 2.607) 6.899 6.077 ( -0.871 2.322 3.588) 4.361 6.140 ( -9.627 3.913 -8.425) 13.378 6.242 ( 2.397 3.255 3.670) 5.460 6.362 ( 1.526 -5.272 2.713) 6.122 6.405 ( -4.131 -5.774 -6.430) 9.579 6.663 ( 1.924 -5.562 1.265) 6.020 6.856 ( -2.801 1.915 -2.738) 4.360 6.972 ( 2.751 -3.410 -0.730) 4.442 7.126 ( 5.232 4.579 -12.756) 14.528 7.443 ( -1.249 -3.378 -0.006) 3.602 7.485 ( -0.841 0.384 0.459) 1.032 7.781 ( 1.998 3.368 3.890) 5.519 7.881 ( -3.250 4.785 2.590) 6.338 8.058 ( 3.846 -4.809 -0.609) 6.188 8.199 ( 0.606 -3.260 0.068) 3.317 8.237 ( 8.685 -2.866 -0.674) 9.171 8.498 ( 2.080 3.270 3.069) 4.944 8.604 ( -2.185 0.887 9.405) 9.696 8.997 ( -1.185 5.298 -7.339) 9.129 9.447 ( -7.478 -3.415 -5.117) 9.684 9.578 ( -11.646 -0.142 4.829) 12.608 9.762 ( 1.976 -0.241 -3.375) 3.918 9.817 ( 2.546 -3.957 -1.376) 4.902 10.260 ( -2.061 1.020 2.285) 3.242 10.299 ( -3.163 -1.241 2.277) 4.090 11.148 ( 2.052 2.111 -1.691) 3.395 11.222 ( 3.942 1.024 2.503) 4.780 11.529 ( 5.401 2.069 2.628) 6.353 12.100 ( -2.471 -0.755 -6.665) 7.148 12.275 ( -3.490 -2.215 -7.169) 8.275 12.486 ( -1.998 0.667 7.545) 7.834 13.347 ( 4.306 -1.040 4.070) 6.015 13.452 ( -0.195 2.915 -1.209) 3.162 14.125 ( -0.360 -4.352 -1.374) 4.578 15.093 ( -14.859 -6.966 -2.448) 16.592 15.943 ( -0.954 0.622 -9.047) 9.118 16.206 ( -5.811 4.530 10.202) 12.585 18.450 ( -11.702 1.423 6.928) 13.673 19.219 ( 2.996 1.434 0.236) 3.330 19.844 ( 8.563 4.928 -16.568) 19.290 21.081 ( 5.227 -1.280 7.390) 9.142 21.795 ( 1.569 -1.402 1.656) 2.678 21.852 ( 1.101 -2.417 -0.503) 2.704 ======================= Grid point 26 (19/141) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -9.430 20.417 7.523) 23.715 2.415 ( 1.943 18.583 -9.074) 20.771 2.515 ( -1.272 24.001 2.517) 24.166 3.190 ( -3.022 8.238 -2.571) 9.143 3.415 ( -0.012 -1.175 2.501) 2.763 3.462 ( -10.292 1.412 -6.044) 12.019 3.668 ( -12.560 7.544 -1.087) 14.692 3.835 ( -9.791 1.931 -4.993) 11.159 3.936 ( 0.708 -4.303 -7.786) 8.924 4.098 ( 0.209 -4.974 2.866) 5.745 4.223 ( -0.618 -6.162 0.148) 6.194 4.353 ( 1.868 -2.442 2.886) 4.217 4.610 ( -0.341 -10.023 -0.755) 10.057 4.639 ( 3.131 1.842 -0.843) 3.729 4.771 ( 3.058 -1.075 1.464) 3.557 4.947 ( -4.914 -6.604 -2.409) 8.577 5.034 ( -4.211 -4.745 3.819) 7.405 5.093 ( -2.775 -3.532 1.996) 4.915 5.311 ( 1.084 2.296 1.350) 2.875 5.364 ( -1.932 -3.591 8.822) 9.719 5.551 ( 1.589 -0.628 -0.126) 1.713 5.680 ( -4.167 8.052 2.195) 9.329 5.879 ( -6.233 4.155 -0.244) 7.495 6.039 ( -0.852 -1.101 -1.187) 1.829 6.114 ( 3.344 -1.296 4.461) 5.724 6.275 ( 3.215 3.794 3.041) 5.829 6.343 ( -7.773 -9.289 -8.153) 14.600 6.498 ( 0.066 -9.428 6.038) 11.196 6.732 ( 0.980 -2.244 -3.072) 3.929 6.785 ( 0.231 2.309 -2.731) 3.583 7.043 ( 2.602 -0.622 0.801) 2.793 7.152 ( 7.402 1.365 -7.816) 10.851 7.442 ( -3.285 -5.705 2.029) 6.889 7.493 ( 2.641 0.041 -4.313) 5.058 7.795 ( 3.091 3.716 2.463) 5.424 7.810 ( -1.383 4.574 3.860) 6.143 8.178 ( 3.794 -5.067 -0.022) 6.330 8.255 ( 2.955 -1.871 -0.093) 3.498 8.394 ( 7.476 -1.044 -0.018) 7.549 8.471 ( -0.946 4.340 -1.088) 4.573 8.618 ( -0.845 0.373 9.051) 9.098 8.932 ( 0.669 -0.182 -7.965) 7.995 9.298 ( -11.159 -1.105 -3.287) 11.686 9.397 ( -12.890 0.917 4.945) 13.837 9.776 ( 1.531 0.637 -3.182) 3.589 9.885 ( 1.719 -4.073 -0.448) 4.444 10.231 ( -1.732 0.921 3.020) 3.601 10.340 ( 3.376 -3.351 7.278) 8.694 11.132 ( 0.128 3.271 -1.946) 3.809 11.255 ( 1.950 1.169 -2.219) 3.177 11.597 ( 4.213 3.377 3.393) 6.377 12.017 ( -5.024 1.156 -5.548) 7.574 12.207 ( -4.118 -5.027 -9.163) 11.233 12.507 ( 0.953 -0.152 6.245) 6.319 13.430 ( 2.436 -0.413 4.321) 4.978 13.448 ( 1.924 0.012 1.165) 2.250 14.210 ( 4.801 -4.779 1.886) 7.032 14.896 ( -16.794 -10.179 -10.471) 22.256 15.863 ( -4.495 -0.046 -5.218) 6.887 16.060 ( -9.139 6.432 2.140) 11.379 18.305 ( -9.562 0.676 6.680) 11.684 19.316 ( 7.001 -2.633 4.338) 8.647 19.836 ( 6.623 5.961 -15.421) 17.810 21.182 ( 4.318 1.774 5.555) 7.256 21.831 ( 0.055 -1.057 2.677) 2.878 21.898 ( 2.371 -1.377 -0.349) 2.763 ======================= Grid point 27 (20/141) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -12.342 20.233 1.118) 23.727 2.030 ( -10.302 28.051 -4.096) 30.162 2.491 ( 6.056 9.454 14.131) 18.048 3.062 ( -1.187 4.323 -2.594) 5.180 3.097 ( -24.364 17.962 -5.022) 30.683 3.287 ( -22.867 -4.231 3.523) 23.520 3.302 ( -8.102 3.400 -7.194) 11.355 3.857 ( 7.964 6.418 5.337) 11.537 3.900 ( 3.676 4.293 -10.043) 11.524 4.103 ( -2.878 2.118 -1.907) 4.050 4.256 ( -2.080 -2.547 0.408) 3.314 4.320 ( -4.103 1.194 -2.398) 4.900 4.607 ( 0.752 -1.200 3.107) 3.415 4.670 ( -0.325 -0.638 -5.131) 5.181 4.825 ( 2.452 2.132 -1.616) 3.629 5.032 ( -4.612 -5.210 3.503) 7.790 5.074 ( 7.658 -8.409 -0.871) 11.407 5.201 ( -3.165 4.297 3.286) 6.267 5.245 ( 3.529 -8.232 0.025) 8.957 5.464 ( 0.867 -4.817 5.085) 7.058 5.569 ( 1.932 -5.813 3.266) 6.942 5.618 ( 1.090 2.014 0.679) 2.389 5.821 ( -2.352 -2.620 3.341) 4.854 6.017 ( -1.613 -2.309 -5.663) 6.324 6.195 ( -0.462 -3.063 1.835) 3.601 6.294 ( -0.271 -7.332 1.064) 7.414 6.345 ( 1.489 -3.700 0.797) 4.067 6.525 ( -9.415 -6.043 7.952) 13.726 6.734 ( 2.692 -0.386 -5.937) 6.530 6.806 ( 3.444 1.536 1.625) 4.106 7.065 ( 0.622 0.970 -0.374) 1.212 7.208 ( 1.842 -0.172 -5.423) 5.730 7.493 ( 1.591 -7.446 -0.597) 7.637 7.543 ( 6.190 0.039 -3.932) 7.333 7.787 ( 0.636 2.171 3.043) 3.792 7.848 ( 5.709 1.298 1.976) 6.179 8.239 ( -2.175 -3.253 0.966) 4.030 8.302 ( 1.811 1.920 -1.035) 2.834 8.411 ( -0.342 1.984 -2.103) 2.911 8.452 ( 0.083 2.314 -0.546) 2.379 8.654 ( 0.716 -1.176 4.448) 4.656 8.936 ( 1.158 -3.102 -5.033) 6.025 9.110 ( -10.963 -0.867 -2.289) 11.233 9.221 ( -8.426 2.818 2.506) 9.231 9.758 ( -1.410 0.891 -1.424) 2.193 9.950 ( 1.280 -3.852 0.500) 4.090 10.255 ( 3.775 0.889 7.893) 8.795 10.508 ( 7.729 -3.008 8.623) 11.964 11.070 ( -2.367 3.218 -1.738) 4.356 11.257 ( 2.884 1.279 -7.024) 7.700 11.614 ( 0.279 4.110 3.529) 5.424 11.880 ( -6.962 1.042 -3.357) 7.799 12.139 ( -6.538 -5.316 -9.087) 12.393 12.569 ( 2.811 -0.641 3.684) 4.678 13.454 ( -1.072 -0.092 3.335) 3.504 13.541 ( 5.402 -4.035 1.093) 6.830 14.374 ( 7.887 -4.625 2.916) 9.596 14.651 ( -18.805 -11.937 -18.939) 29.237 15.746 ( -7.608 0.847 -2.350) 8.008 15.836 ( -10.349 6.777 -0.934) 12.406 18.190 ( -8.249 0.720 6.604) 10.592 19.507 ( 6.297 -3.713 12.274) 14.286 19.798 ( 6.631 4.490 -19.829) 21.384 21.248 ( 4.073 2.818 4.487) 6.683 21.842 ( -0.591 -0.059 1.672) 1.774 21.947 ( 2.827 0.218 1.534) 3.224 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -14.303 22.832 -7.107) 27.864 1.646 ( -5.149 30.899 9.723) 32.800 2.419 ( -17.196 35.963 -9.613) 41.006 2.567 ( -1.890 -1.919 7.448) 7.920 3.022 ( -6.206 0.089 5.508) 8.298 3.118 ( -6.620 3.672 3.322) 8.267 3.130 ( -2.114 -7.383 -5.297) 9.329 3.754 ( -3.529 5.727 -4.991) 8.377 3.944 ( -0.993 8.178 5.940) 10.156 4.055 ( 2.684 1.363 -6.587) 7.243 4.176 ( 3.663 7.667 -0.234) 8.501 4.317 ( 2.999 5.364 -1.352) 6.293 4.571 ( -6.341 1.343 -2.737) 7.036 4.671 ( -2.278 -4.271 2.100) 5.277 4.836 ( 1.984 1.258 -2.933) 3.757 4.973 ( -5.346 3.563 5.207) 8.270 5.104 ( 0.796 -7.680 -4.379) 8.876 5.218 ( -3.912 4.477 2.213) 6.344 5.401 ( 13.202 -5.204 2.047) 14.338 5.607 ( 3.975 -9.148 -1.461) 10.081 5.684 ( 4.232 -8.349 3.661) 10.050 5.727 ( -1.097 -5.101 4.018) 6.585 5.831 ( -1.642 -7.226 0.176) 7.412 5.996 ( -0.929 -4.899 -1.614) 5.241 6.246 ( 1.784 -4.837 2.818) 5.875 6.338 ( -6.461 -8.296 -4.418) 11.405 6.419 ( 1.830 -3.137 2.773) 4.569 6.514 ( -1.327 -5.350 7.631) 9.414 6.762 ( 2.172 -1.366 -3.670) 4.478 6.880 ( 5.190 0.586 6.331) 8.207 7.054 ( 0.120 1.011 -1.942) 2.193 7.154 ( -4.367 -1.371 -7.072) 8.424 7.584 ( 1.748 -4.103 -0.517) 4.490 7.628 ( 5.861 1.339 -2.657) 6.573 7.835 ( 4.915 -2.395 1.083) 5.574 7.970 ( 8.344 -0.117 3.586) 9.082 8.158 ( -9.191 -0.108 -0.031) 9.191 8.288 ( 0.950 2.899 -4.426) 5.376 8.342 ( -7.342 0.476 1.000) 7.425 8.422 ( 2.855 4.964 -0.976) 5.809 8.691 ( -0.481 -2.978 0.158) 3.021 8.930 ( -3.871 -0.551 -0.801) 3.991 9.000 ( -2.959 -3.935 -1.855) 5.261 9.109 ( -2.150 4.371 -0.356) 4.884 9.705 ( -3.449 0.859 0.008) 3.554 10.005 ( 1.177 -3.154 0.226) 3.374 10.424 ( 10.765 -0.994 13.093) 16.979 10.687 ( 6.483 -1.088 7.041) 9.633 10.993 ( -2.406 2.243 -1.486) 3.609 11.261 ( 5.134 2.148 -9.643) 11.134 11.570 ( -1.658 3.232 0.606) 3.682 11.761 ( -8.113 -0.925 1.631) 8.327 11.976 ( -12.987 -1.796 -11.625) 17.522 12.627 ( 1.909 -0.362 1.621) 2.530 13.444 ( -0.948 0.485 1.281) 1.665 13.680 ( 4.142 -6.966 0.738) 8.138 14.302 ( -18.776 -7.247 -23.109) 30.644 14.618 ( 8.279 -7.382 3.286) 11.568 15.596 ( -6.973 4.109 1.295) 8.197 15.610 ( -8.923 5.801 -2.365) 10.903 18.092 ( -6.117 1.725 5.512) 8.413 19.586 ( -0.122 10.127 8.470) 13.203 19.862 ( 8.329 -10.316 -12.797) 18.427 21.301 ( 3.222 2.146 3.129) 4.978 21.833 ( -0.598 0.948 0.576) 1.260 22.002 ( 3.196 0.371 2.732) 4.221 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 25.604 0.000) 25.604 1.329 ( 0.000 31.762 0.000) 31.762 1.808 ( 0.000 46.294 0.000) 46.294 2.609 ( -0.000 -7.203 -0.000) 7.203 2.962 ( 0.000 7.963 0.000) 7.963 3.056 ( -0.000 -6.710 -0.000) 6.710 3.221 ( -0.000 -8.845 -0.000) 8.845 3.650 ( 0.000 5.207 0.000) 5.207 3.909 ( 0.000 7.743 0.000) 7.743 3.967 ( 0.000 3.101 0.000) 3.101 4.191 ( 0.000 14.086 0.000) 14.086 4.235 ( 0.000 6.520 0.000) 6.520 4.475 ( -0.000 -0.499 -0.000) 0.499 4.672 ( -0.000 -1.839 -0.000) 1.839 4.830 ( 0.000 2.022 0.000) 2.022 4.965 ( -0.000 -3.934 -0.000) 3.934 5.129 ( 0.000 6.405 0.000) 6.405 5.196 ( -0.000 -9.038 -0.000) 9.038 5.646 ( -0.000 -6.178 -0.000) 6.178 5.655 ( 0.000 1.182 0.000) 1.182 5.738 ( -0.000 -5.342 -0.000) 5.342 5.809 ( -0.000 -14.071 -0.000) 14.071 5.890 ( -0.000 -7.302 -0.000) 7.302 6.089 ( -0.000 -3.978 -0.000) 3.978 6.311 ( -0.000 -8.165 -0.000) 8.165 6.337 ( -0.000 -5.356 -0.000) 5.356 6.472 ( -0.000 -2.227 -0.000) 2.227 6.581 ( -0.000 -3.088 -0.000) 3.088 6.785 ( -0.000 -1.806 -0.000) 1.806 6.982 ( -0.000 -1.291 -0.000) 1.291 7.012 ( 0.000 2.177 0.000) 2.177 7.118 ( -0.000 -6.299 -0.000) 6.299 7.631 ( -0.000 -4.378 -0.000) 4.378 7.654 ( 0.000 1.864 0.000) 1.864 7.950 ( 0.000 1.685 0.000) 1.685 8.030 ( -0.000 -2.905 -0.000) 2.905 8.125 ( 0.000 2.525 0.000) 2.525 8.153 ( 0.000 1.748 0.000) 1.748 8.313 ( 0.000 0.582 0.000) 0.582 8.409 ( 0.000 3.354 0.000) 3.354 8.697 ( -0.000 -3.375 -0.000) 3.375 8.906 ( -0.000 -0.863 -0.000) 0.863 8.995 ( -0.000 -1.292 -0.000) 1.292 9.051 ( 0.000 4.091 0.000) 4.091 9.656 ( 0.000 1.713 0.000) 1.713 10.044 ( -0.000 -2.338 -0.000) 2.338 10.644 ( -0.000 -6.141 -0.000) 6.141 10.778 ( -0.000 -1.341 -0.000) 1.341 10.955 ( 0.000 1.532 0.000) 1.532 11.297 ( 0.000 1.655 0.000) 1.655 11.523 ( 0.000 3.825 0.000) 3.825 11.615 ( -0.000 -1.855 -0.000) 1.855 11.769 ( 0.000 7.248 0.000) 7.248 12.648 ( 0.000 0.044 0.000) 0.044 13.434 ( 0.000 0.742 0.000) 0.742 13.802 ( -0.000 -8.647 -0.000) 8.647 14.055 ( 0.000 1.102 0.000) 1.102 14.802 ( -0.000 -9.683 -0.000) 9.683 15.464 ( 0.000 3.701 0.000) 3.701 15.481 ( 0.000 8.259 0.000) 8.259 18.028 ( 0.000 2.712 0.000) 2.712 19.478 ( 0.000 12.915 0.000) 12.915 20.029 ( -0.000 -12.638 -0.000) 12.638 21.325 ( 0.000 0.883 0.000) 0.883 21.816 ( 0.000 1.444 0.000) 1.444 22.051 ( -0.000 -1.147 -0.000) 1.147 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -1.911 -0.000 -8.150) 8.371 3.094 ( 5.808 0.000 -0.783) 5.860 3.100 ( 4.771 0.000 1.344) 4.957 3.235 ( 12.529 0.000 -2.482) 12.773 3.324 ( 1.649 0.000 -1.400) 2.163 3.372 ( 18.840 0.000 -8.973) 20.868 3.693 ( 8.343 0.000 -7.747) 11.385 3.721 ( -6.091 -0.000 -4.515) 7.582 3.827 ( -3.359 -0.000 -1.238) 3.580 4.019 ( -3.203 -0.000 12.408) 12.815 4.149 ( -9.111 -0.000 -5.170) 10.476 4.283 ( -9.133 -0.000 9.412) 13.115 4.332 ( -0.495 -0.000 -0.802) 0.943 4.696 ( -3.448 -0.000 3.949) 5.242 4.883 ( -11.016 -0.000 -1.837) 11.168 4.980 ( -3.941 -0.000 2.549) 4.693 5.116 ( -4.246 -0.000 4.371) 6.093 5.128 ( -6.160 -0.000 7.122) 9.417 5.197 ( -8.296 -0.000 1.024) 8.359 5.372 ( 7.980 0.000 10.324) 13.048 5.498 ( 3.767 0.000 -3.645) 5.242 5.944 ( 3.223 0.000 1.062) 3.394 5.963 ( 2.193 0.000 1.646) 2.742 6.042 ( -1.868 -0.000 -3.081) 3.603 6.189 ( -12.773 -0.000 -7.274) 14.699 6.263 ( 1.648 0.000 -3.053) 3.469 6.284 ( -6.908 -0.000 -1.130) 7.000 6.447 ( -2.099 -0.000 1.937) 2.856 6.543 ( 2.512 0.000 7.071) 7.504 6.886 ( -1.843 -0.000 -6.330) 6.593 6.930 ( 5.732 0.000 2.747) 6.356 7.194 ( 0.694 0.000 -13.246) 13.264 7.382 ( 2.538 0.000 -4.512) 5.177 7.493 ( -4.197 -0.000 5.510) 6.926 7.846 ( 8.409 0.000 0.578) 8.429 7.914 ( -4.826 -0.000 2.601) 5.482 8.033 ( 4.982 0.000 -0.880) 5.059 8.108 ( -2.464 -0.000 2.020) 3.186 8.228 ( 8.834 0.000 -0.827) 8.872 8.534 ( 1.831 0.000 4.744) 5.084 8.614 ( -0.503 -0.000 7.810) 7.827 9.066 ( -7.430 -0.000 -4.272) 8.571 9.400 ( -3.447 -0.000 -7.885) 8.605 9.577 ( -11.536 -0.000 5.352) 12.717 9.758 ( 1.947 0.000 -2.736) 3.358 9.773 ( 2.659 0.000 -1.889) 3.261 10.275 ( -3.731 -0.000 0.546) 3.770 10.283 ( -2.608 -0.000 3.885) 4.680 11.169 ( 2.962 0.000 -4.204) 5.142 11.232 ( 3.642 0.000 4.762) 5.995 11.550 ( 5.405 0.000 3.533) 6.457 12.091 ( -1.356 -0.000 -7.871) 7.987 12.255 ( -4.612 -0.000 -6.283) 7.794 12.492 ( -2.561 -0.000 7.364) 7.797 13.337 ( 4.819 0.000 4.235) 6.415 13.485 ( -0.933 -0.000 -2.449) 2.621 14.076 ( -0.601 -0.000 -1.737) 1.838 15.025 ( -15.554 -0.000 0.544) 15.564 15.950 ( -0.304 -0.000 -11.903) 11.907 16.250 ( -6.863 -0.000 12.766) 14.494 18.467 ( -12.349 -0.000 6.704) 14.051 19.237 ( 0.554 0.000 1.035) 1.174 19.900 ( 9.053 0.000 -20.422) 22.339 21.062 ( 7.183 0.000 9.882) 12.217 21.788 ( 3.426 0.000 -0.128) 3.429 21.817 ( -0.051 -0.000 0.903) 0.905 ======================= Grid point 35 (24/141) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -9.706 4.628 -7.540) 13.133 2.891 ( -1.590 22.277 0.446) 22.338 2.979 ( -5.601 18.600 -3.634) 19.762 3.242 ( -8.099 -5.709 -5.265) 11.221 3.360 ( -15.687 -1.126 4.366) 16.322 3.585 ( -1.556 7.801 -3.104) 8.538 3.708 ( 10.761 -3.966 -7.884) 13.917 3.818 ( 1.414 -5.234 -4.566) 7.088 3.855 ( 9.660 -2.798 0.809) 10.089 4.007 ( 0.375 1.076 8.477) 8.553 4.178 ( -3.739 0.292 5.361) 6.543 4.282 ( 10.031 -8.444 0.323) 13.116 4.314 ( 1.844 -9.161 -2.608) 9.702 4.655 ( -3.549 -0.253 8.357) 9.083 4.771 ( 0.198 1.313 -5.902) 6.050 4.856 ( -7.503 -2.928 -1.699) 8.231 5.000 ( -10.562 -0.436 1.007) 10.619 5.102 ( -2.102 3.041 3.396) 5.019 5.210 ( 0.746 -6.039 9.669) 11.424 5.465 ( -0.022 7.762 1.243) 7.861 5.534 ( 2.947 -0.777 -0.537) 3.094 5.783 ( -10.499 -0.777 0.180) 10.529 5.940 ( -8.192 4.166 -6.167) 11.068 6.049 ( 0.332 -4.508 0.540) 4.552 6.117 ( 1.739 -4.095 -1.830) 4.810 6.150 ( -5.091 4.730 -2.719) 7.462 6.285 ( -2.495 -5.636 -1.256) 6.290 6.399 ( -3.929 0.648 8.661) 9.532 6.639 ( 1.078 -4.645 3.683) 6.025 6.855 ( 2.136 2.904 -4.810) 6.011 7.033 ( 4.654 -0.375 2.039) 5.095 7.171 ( 5.981 0.090 -12.587) 13.936 7.397 ( -0.104 0.249 -0.992) 1.028 7.472 ( -1.476 -1.460 4.977) 5.393 7.836 ( -2.909 2.403 0.589) 3.819 7.955 ( 5.450 5.654 0.158) 7.854 8.076 ( 3.343 -2.198 -1.295) 4.205 8.169 ( 2.388 -6.604 1.189) 7.122 8.384 ( 9.054 0.233 1.072) 9.120 8.538 ( -2.284 1.512 3.895) 4.761 8.649 ( 1.109 1.972 4.680) 5.199 8.917 ( -6.353 -0.907 -5.137) 8.220 9.288 ( -8.069 -0.070 -3.956) 8.987 9.413 ( -11.715 0.568 6.423) 13.372 9.780 ( 2.009 0.097 -2.338) 3.084 9.816 ( 2.644 -2.380 -4.272) 5.560 10.254 ( -0.848 1.419 4.883) 5.156 10.288 ( 2.028 -2.021 7.042) 7.601 11.187 ( 2.737 2.005 -5.487) 6.451 11.260 ( -0.855 -0.366 -0.728) 1.181 11.640 ( 3.333 1.021 5.247) 6.299 12.035 ( -4.636 0.535 -5.264) 7.035 12.144 ( -2.474 -1.460 -9.911) 10.319 12.503 ( -0.137 -0.188 6.572) 6.577 13.425 ( 3.138 -0.071 4.702) 5.653 13.452 ( -1.249 0.193 -1.383) 1.874 14.136 ( 6.072 -2.247 2.109) 6.809 14.773 ( -16.667 -2.847 -4.676) 17.543 15.865 ( -4.363 0.164 -6.762) 8.049 16.146 ( -9.694 2.201 3.681) 10.601 18.324 ( -8.637 0.740 4.544) 9.787 19.280 ( 3.460 -0.936 3.836) 5.251 19.927 ( 6.845 2.655 -16.101) 17.696 21.203 ( 5.591 0.501 6.721) 8.757 21.821 ( 0.831 0.258 1.468) 1.707 21.858 ( 3.052 -2.016 0.323) 3.672 ======================= Grid point 36 (25/141) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -10.667 10.983 -4.791) 16.043 2.567 ( -12.669 23.419 2.659) 26.759 2.728 ( -5.103 11.954 2.515) 13.239 3.069 ( -8.338 -1.403 -11.048) 13.912 3.114 ( -20.827 -6.505 9.370) 23.746 3.419 ( -6.701 8.515 -2.005) 11.020 3.543 ( -8.766 15.876 -1.861) 18.230 3.955 ( 1.639 2.716 2.650) 4.133 3.995 ( 14.019 5.422 -7.041) 16.598 4.105 ( 6.143 -0.184 -2.111) 6.498 4.217 ( 3.464 -0.972 5.545) 6.609 4.312 ( -0.468 -2.228 -1.893) 2.960 4.559 ( 2.773 -5.399 -0.530) 6.092 4.685 ( 0.839 1.384 -2.607) 3.068 4.825 ( -0.782 -3.545 -7.133) 8.004 4.866 ( 9.992 -11.147 6.102) 16.166 4.927 ( -2.455 -5.704 6.940) 9.313 5.034 ( -0.800 0.980 -3.221) 3.461 5.327 ( -4.019 -0.829 3.825) 5.610 5.352 ( 2.440 -2.788 5.868) 6.940 5.553 ( -1.674 1.481 0.192) 2.244 5.714 ( -2.460 4.669 2.377) 5.788 5.764 ( -6.489 -4.548 -3.637) 8.719 5.979 ( -9.322 -0.632 -7.057) 11.709 6.088 ( -1.732 -7.059 -4.296) 8.443 6.171 ( 2.123 -0.245 2.578) 3.348 6.276 ( -2.926 -4.966 -1.310) 5.912 6.390 ( -8.554 -6.757 10.880) 15.402 6.687 ( -0.647 -3.667 -1.037) 3.866 6.867 ( 6.204 3.707 -2.876) 7.778 7.093 ( 2.286 1.125 0.627) 2.624 7.232 ( 4.757 1.074 -5.476) 7.333 7.395 ( 1.215 -1.178 3.963) 4.309 7.521 ( 2.967 -2.371 0.929) 3.910 7.782 ( -2.078 -0.131 -1.345) 2.478 7.959 ( 4.816 7.218 0.409) 8.687 8.153 ( 0.171 -4.269 -1.357) 4.483 8.260 ( 1.397 -5.900 -1.619) 6.276 8.441 ( -1.443 3.320 1.076) 3.776 8.521 ( 1.644 1.232 0.432) 2.099 8.660 ( 0.378 2.010 4.915) 5.324 8.870 ( -0.100 -3.372 -3.193) 4.645 9.111 ( -11.005 0.642 -3.117) 11.456 9.274 ( -6.807 2.218 4.534) 8.474 9.772 ( -0.900 0.739 -3.552) 3.738 9.868 ( 1.439 -4.144 -0.411) 4.406 10.277 ( 2.331 1.181 8.340) 8.740 10.464 ( 10.406 -1.582 10.646) 14.971 11.135 ( -2.726 3.295 -4.281) 6.051 11.257 ( 2.912 -1.192 -8.890) 9.430 11.670 ( -1.948 1.678 6.726) 7.201 11.863 ( -11.994 -2.014 -4.918) 13.119 12.118 ( 1.894 1.845 -7.286) 7.751 12.553 ( 2.176 -0.851 4.421) 5.000 13.438 ( -1.094 -1.638 0.593) 2.057 13.490 ( 2.736 -0.862 2.012) 3.503 14.301 ( 8.807 -2.759 3.875) 10.010 14.507 ( -16.262 -3.766 -10.189) 19.556 15.751 ( -6.733 0.265 -2.827) 7.307 15.954 ( -10.486 4.292 -0.584) 11.345 18.217 ( -5.869 1.497 3.043) 6.778 19.406 ( 5.459 -4.664 6.971) 10.008 19.908 ( 4.502 4.919 -14.097) 15.595 21.293 ( 4.021 1.746 4.061) 5.976 21.838 ( 0.356 -0.183 1.348) 1.407 21.929 ( 2.968 -1.553 1.043) 3.508 ======================= Grid point 37 (26/141) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -14.075 17.377 -3.366) 22.614 2.186 ( -7.127 23.120 4.379) 24.586 2.557 ( -9.243 1.022 2.470) 9.622 2.944 ( -8.592 -3.884 1.246) 9.511 2.991 ( -2.955 -1.825 1.421) 3.753 3.141 ( -3.603 28.888 -6.117) 29.747 3.299 ( -2.699 11.449 2.043) 11.939 3.860 ( -4.516 4.686 -2.020) 6.814 4.063 ( -5.859 0.737 -4.037) 7.153 4.101 ( 5.610 7.285 -1.117) 9.262 4.314 ( 10.700 5.742 -0.225) 12.145 4.369 ( 5.814 -0.250 3.237) 6.659 4.580 ( -4.117 -2.705 -2.004) 5.318 4.662 ( 2.800 6.730 0.450) 7.303 4.836 ( 1.815 -3.137 -6.080) 7.079 4.916 ( -3.596 -4.893 1.525) 6.261 5.077 ( -2.569 -0.800 4.091) 4.896 5.189 ( 4.557 -9.582 2.085) 10.813 5.301 ( 5.266 -1.239 -0.256) 5.416 5.452 ( 1.144 -3.569 3.836) 5.363 5.568 ( 2.703 -5.538 4.151) 7.430 5.652 ( 0.554 0.650 0.010) 0.854 5.726 ( -6.685 -6.059 -0.059) 9.023 5.854 ( -6.509 -8.760 -6.808) 12.863 6.116 ( -1.399 -7.782 -2.667) 8.345 6.215 ( -0.568 -2.177 -1.858) 2.917 6.299 ( 0.337 -8.181 -3.463) 8.890 6.382 ( -6.477 -7.778 12.005) 15.703 6.706 ( -0.236 -4.059 -1.649) 4.388 6.933 ( 6.672 3.495 0.621) 7.557 7.096 ( 0.780 2.850 -0.302) 2.970 7.192 ( -3.658 4.202 0.139) 5.573 7.519 ( 6.808 -3.546 0.506) 7.693 7.607 ( 4.744 -2.863 -1.003) 5.631 7.760 ( -1.584 -3.336 -1.374) 3.940 7.987 ( 2.740 1.922 1.005) 3.495 8.134 ( -2.983 -1.659 -0.572) 3.461 8.300 ( -1.513 -2.529 -3.244) 4.383 8.385 ( -0.254 4.280 0.759) 4.354 8.502 ( -1.816 2.470 0.450) 3.099 8.669 ( 0.097 0.752 2.121) 2.253 8.911 ( 1.172 -2.182 -1.943) 3.148 8.940 ( -7.218 -1.483 -1.028) 7.440 9.197 ( -1.270 4.259 1.292) 4.628 9.722 ( -2.224 1.035 -1.320) 2.786 9.929 ( 0.896 -4.400 0.099) 4.491 10.398 ( 6.468 -1.198 11.270) 13.050 10.683 ( 8.811 0.546 8.751) 12.430 11.032 ( -3.604 1.600 -4.315) 5.846 11.283 ( 5.984 0.180 -11.935) 13.352 11.608 ( -5.035 0.900 0.372) 5.128 11.695 ( -12.710 -3.723 3.578) 13.719 12.062 ( 0.110 7.011 -5.233) 8.749 12.614 ( 1.925 -0.934 1.986) 2.919 13.443 ( -0.650 -1.119 0.805) 1.524 13.560 ( 2.321 -4.231 0.220) 4.831 14.233 ( -12.571 -1.166 -11.262) 16.918 14.499 ( 7.486 -4.670 3.354) 9.439 15.626 ( -6.778 1.387 -0.278) 6.925 15.755 ( -6.595 6.088 -1.435) 9.089 18.136 ( -3.429 2.403 2.087) 4.679 19.592 ( 3.985 -8.131 10.526) 13.885 19.839 ( 2.528 6.778 -14.074) 15.824 21.341 ( 2.451 1.919 2.081) 3.744 21.845 ( -0.045 0.353 0.710) 0.794 21.989 ( 1.996 -1.326 1.247) 2.702 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 20.621 0.000) 20.621 1.904 ( 0.000 26.399 0.000) 26.399 2.496 ( -0.000 -3.889 -0.000) 3.889 2.686 ( 0.000 41.969 0.000) 41.969 2.941 ( -0.000 -3.943 -0.000) 3.943 3.031 ( -0.000 -4.592 -0.000) 4.592 3.195 ( 0.000 8.805 0.000) 8.805 3.759 ( 0.000 5.785 0.000) 5.785 3.987 ( -0.000 -0.104 -0.000) 0.104 4.065 ( 0.000 7.961 0.000) 7.961 4.382 ( 0.000 7.433 0.000) 7.433 4.430 ( 0.000 1.923 0.000) 1.923 4.551 ( 0.000 15.143 0.000) 15.143 4.571 ( -0.000 -6.694 -0.000) 6.694 4.847 ( 0.000 0.106 0.000) 0.106 4.944 ( -0.000 -2.867 -0.000) 2.867 5.023 ( -0.000 -4.048 -0.000) 4.048 5.228 ( 0.000 2.664 0.000) 2.664 5.450 ( -0.000 -12.446 -0.000) 12.446 5.596 ( -0.000 -6.787 -0.000) 6.787 5.617 ( -0.000 -3.188 -0.000) 3.188 5.699 ( -0.000 -1.346 -0.000) 1.346 5.725 ( -0.000 -9.551 -0.000) 9.551 5.918 ( -0.000 -14.597 -0.000) 14.597 6.147 ( -0.000 -7.194 -0.000) 7.194 6.225 ( -0.000 -3.758 -0.000) 3.758 6.379 ( -0.000 -7.170 -0.000) 7.170 6.456 ( -0.000 -9.042 -0.000) 9.042 6.744 ( -0.000 -3.952 -0.000) 3.952 6.991 ( 0.000 1.594 0.000) 1.594 7.070 ( 0.000 2.867 0.000) 2.867 7.086 ( 0.000 4.700 0.000) 4.700 7.587 ( -0.000 -0.410 -0.000) 0.410 7.680 ( -0.000 -0.224 -0.000) 0.224 7.833 ( -0.000 -10.641 -0.000) 10.641 7.976 ( -0.000 -1.986 -0.000) 1.986 8.169 ( -0.000 -0.369 -0.000) 0.369 8.222 ( 0.000 5.070 0.000) 5.070 8.350 ( 0.000 3.580 0.000) 3.580 8.460 ( 0.000 1.733 0.000) 1.733 8.668 ( 0.000 0.060 0.000) 0.060 8.883 ( -0.000 -1.470 -0.000) 1.470 8.955 ( -0.000 -2.590 -0.000) 2.590 9.144 ( 0.000 5.218 0.000) 5.218 9.685 ( 0.000 1.373 0.000) 1.373 9.979 ( -0.000 -4.103 -0.000) 4.103 10.538 ( -0.000 -4.387 -0.000) 4.387 10.770 ( 0.000 0.562 0.000) 0.562 10.980 ( 0.000 0.810 0.000) 0.810 11.319 ( 0.000 0.549 0.000) 0.549 11.555 ( -0.000 -0.805 -0.000) 0.805 11.585 ( -0.000 -0.373 -0.000) 0.373 11.954 ( 0.000 10.441 0.000) 10.441 12.642 ( -0.000 -0.620 -0.000) 0.620 13.445 ( 0.000 0.106 0.000) 0.106 13.639 ( -0.000 -7.262 -0.000) 7.262 14.081 ( 0.000 1.488 0.000) 1.488 14.636 ( -0.000 -6.996 -0.000) 6.996 15.534 ( 0.000 3.281 0.000) 3.281 15.634 ( 0.000 7.105 0.000) 7.105 18.085 ( 0.000 3.022 0.000) 3.022 19.719 ( 0.000 11.066 0.000) 11.066 19.773 ( -0.000 -12.631 -0.000) 12.631 21.350 ( 0.000 1.588 0.000) 1.588 21.839 ( 0.000 0.842 0.000) 0.842 22.024 ( -0.000 -1.541 -0.000) 1.541 ======================= Grid point 45 (28/141) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -8.175 -0.000 -5.142) 9.657 2.845 ( -18.242 -0.000 -3.244) 18.528 2.886 ( -21.077 -0.000 -0.904) 21.097 2.965 ( -10.701 -0.000 4.536) 11.623 3.073 ( -10.792 -0.000 -7.082) 12.909 3.535 ( -6.020 -0.000 0.904) 6.088 3.674 ( -1.204 -0.000 1.771) 2.142 4.013 ( -0.773 -0.000 5.419) 5.473 4.074 ( 12.586 0.000 -0.368) 12.591 4.114 ( 8.482 0.000 1.868) 8.685 4.210 ( 12.557 0.000 -2.729) 12.850 4.263 ( 3.449 0.000 0.549) 3.492 4.437 ( 11.725 0.000 -7.306) 13.815 4.667 ( 0.639 0.000 7.670) 7.697 4.772 ( 1.233 0.000 3.717) 3.916 4.792 ( 0.437 0.000 -9.603) 9.613 4.874 ( -1.377 -0.000 5.375) 5.549 5.124 ( 1.868 0.000 -0.708) 1.998 5.218 ( -3.872 -0.000 7.117) 8.102 5.425 ( -7.391 -0.000 -10.492) 12.833 5.546 ( -3.393 -0.000 1.686) 3.789 5.583 ( -2.741 -0.000 2.191) 3.509 5.869 ( -7.673 -0.000 -2.228) 7.990 5.903 ( -3.414 -0.000 -8.575) 9.230 6.140 ( -3.303 -0.000 4.922) 5.928 6.158 ( -5.207 -0.000 -2.725) 5.877 6.180 ( 2.576 0.000 0.349) 2.599 6.303 ( -12.218 -0.000 10.073) 15.835 6.644 ( -0.136 -0.000 1.706) 1.711 6.907 ( 5.300 0.000 -4.412) 6.896 7.103 ( 2.977 0.000 1.978) 3.574 7.231 ( 7.235 0.000 -9.030) 11.571 7.425 ( 4.245 0.000 -6.928) 8.125 7.471 ( -2.818 -0.000 16.653) 16.890 7.785 ( -3.158 -0.000 -2.963) 4.331 8.083 ( 0.382 0.000 0.656) 0.759 8.099 ( 6.691 0.000 -4.257) 7.931 8.152 ( -0.011 -0.000 -0.799) 0.799 8.496 ( 2.399 0.000 3.746) 4.448 8.508 ( -2.773 -0.000 0.201) 2.780 8.695 ( 0.382 0.000 4.041) 4.059 8.827 ( -0.118 -0.000 -2.578) 2.581 9.120 ( -10.900 -0.000 -3.669) 11.501 9.297 ( -6.491 -0.000 5.857) 8.743 9.794 ( -0.142 -0.000 -6.231) 6.233 9.808 ( 1.297 0.000 0.955) 1.611 10.291 ( 1.173 0.000 8.059) 8.144 10.447 ( 12.132 0.000 11.665) 16.831 11.183 ( -5.420 -0.000 -4.829) 7.260 11.229 ( 5.226 0.000 -10.007) 11.290 11.686 ( -2.383 -0.000 8.036) 8.382 11.840 ( -13.475 -0.000 -6.441) 14.935 12.145 ( 4.772 0.000 -6.195) 7.819 12.543 ( 1.805 0.000 4.860) 5.184 13.417 ( -1.539 -0.000 -1.212) 1.959 13.485 ( 2.076 0.000 3.175) 3.794 14.273 ( 9.360 0.000 4.234) 10.273 14.474 ( -15.420 -0.000 -7.304) 17.062 15.755 ( -6.253 -0.000 -3.366) 7.102 15.996 ( -10.615 -0.000 -0.415) 10.623 18.234 ( -5.269 -0.000 1.960) 5.622 19.358 ( 4.152 0.000 5.888) 7.205 19.959 ( 4.336 0.000 -12.885) 13.595 21.311 ( 4.052 0.000 4.169) 5.814 21.838 ( 0.689 0.000 0.835) 1.083 21.909 ( 3.375 0.000 1.237) 3.595 ======================= Grid point 47 (29/141) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -12.012 8.787 -2.629) 15.113 2.498 ( -13.330 5.835 1.339) 14.613 2.564 ( -14.458 1.593 0.024) 14.546 2.877 ( -5.981 -2.302 2.377) 6.836 2.955 ( -1.739 -0.238 -5.071) 5.366 3.438 ( -2.710 5.368 2.277) 6.430 3.640 ( 0.379 11.936 1.162) 11.998 3.953 ( -1.764 6.384 2.048) 6.933 4.067 ( -4.497 -1.429 -1.140) 4.854 4.253 ( 6.407 7.829 -3.412) 10.677 4.354 ( 4.542 -0.732 0.452) 4.623 4.378 ( 6.923 0.093 1.019) 6.998 4.566 ( 5.117 1.633 -4.627) 7.090 4.699 ( 1.191 -5.924 -1.111) 6.144 4.790 ( 2.418 2.904 1.388) 4.026 4.885 ( 1.547 -1.985 3.069) 3.969 4.977 ( 10.467 -3.293 2.820) 11.329 5.055 ( -0.740 -0.893 -0.686) 1.348 5.251 ( 1.435 -9.568 -1.444) 9.782 5.395 ( -0.730 1.362 2.771) 3.173 5.495 ( -4.679 -8.343 -5.172) 10.874 5.570 ( -1.954 0.314 2.556) 3.233 5.719 ( -4.866 4.115 -2.688) 6.916 5.795 ( -6.978 0.340 -4.564) 8.345 6.046 ( -2.431 0.634 -1.250) 2.806 6.144 ( -2.963 -6.303 -1.006) 7.037 6.181 ( -5.866 -3.016 4.945) 8.244 6.237 ( -2.350 -4.447 5.140) 7.192 6.644 ( -0.981 -1.748 -0.274) 2.023 6.979 ( 5.855 1.016 -2.548) 6.466 7.139 ( 1.419 1.360 0.785) 2.117 7.261 ( -0.134 1.451 -2.031) 2.500 7.465 ( 5.389 -0.364 -1.558) 5.622 7.553 ( 0.742 -2.516 12.106) 12.387 7.725 ( -1.474 -0.606 -7.561) 7.727 8.031 ( -5.170 1.999 -0.179) 5.546 8.107 ( 1.124 -0.948 -0.229) 1.488 8.242 ( 5.776 -2.385 -4.718) 7.830 8.459 ( -0.748 2.827 0.208) 2.932 8.513 ( -3.057 -0.854 3.218) 4.520 8.704 ( -0.097 1.747 3.427) 3.848 8.861 ( 2.377 -1.946 -0.975) 3.223 8.933 ( -8.993 0.065 -3.372) 9.605 9.260 ( -0.541 1.824 2.759) 3.352 9.750 ( -1.008 1.623 -2.607) 3.232 9.847 ( 0.641 -3.331 0.557) 3.438 10.383 ( 4.479 -0.308 10.108) 11.060 10.697 ( 10.399 0.582 10.201) 14.579 11.054 ( -5.581 0.587 -7.375) 9.267 11.277 ( 6.930 -0.469 -11.880) 13.761 11.613 ( -9.363 -0.193 -3.755) 10.090 11.650 ( -8.255 -0.854 8.166) 11.643 12.173 ( 2.792 3.341 -2.973) 5.272 12.596 ( 1.866 -0.618 2.444) 3.136 13.406 ( -0.350 -1.578 -0.422) 1.671 13.524 ( 1.243 -0.387 1.300) 1.840 14.226 ( -10.723 0.008 -6.961) 12.784 14.437 ( 7.101 -1.590 3.231) 7.962 15.647 ( -5.177 0.618 -1.135) 5.336 15.837 ( -6.833 2.127 -1.105) 7.241 18.173 ( -2.582 1.085 0.731) 2.895 19.464 ( 3.253 -3.703 5.256) 7.206 19.943 ( 1.938 2.928 -8.383) 9.088 21.370 ( 2.122 0.859 1.886) 2.966 21.850 ( 0.459 0.206 0.544) 0.741 21.963 ( 2.023 -0.910 0.940) 2.409 ======================= Grid point 48 (30/141) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 14.677 0.000) 14.677 2.322 ( 0.000 14.364 0.000) 14.364 2.439 ( -0.000 -1.970 -0.000) 1.970 2.854 ( -0.000 -2.489 -0.000) 2.489 2.949 ( -0.000 -2.576 -0.000) 2.576 3.370 ( 0.000 7.121 0.000) 7.121 3.439 ( 0.000 29.270 0.000) 29.270 3.880 ( 0.000 7.520 0.000) 7.520 3.990 ( 0.000 0.808 0.000) 0.808 4.220 ( 0.000 7.438 0.000) 7.438 4.420 ( -0.000 -1.123 -0.000) 1.123 4.440 ( -0.000 -2.406 -0.000) 2.406 4.519 ( 0.000 3.486 0.000) 3.486 4.789 ( 0.000 1.654 0.000) 1.654 4.802 ( -0.000 -6.836 -0.000) 6.836 4.886 ( 0.000 6.977 0.000) 6.977 5.072 ( 0.000 2.568 0.000) 2.568 5.170 ( -0.000 -5.189 -0.000) 5.189 5.320 ( -0.000 -2.027 -0.000) 2.027 5.416 ( -0.000 -20.013 -0.000) 20.013 5.508 ( -0.000 -3.496 -0.000) 3.496 5.576 ( -0.000 -2.349 -0.000) 2.349 5.643 ( -0.000 -0.199 -0.000) 0.199 5.731 ( -0.000 -2.218 -0.000) 2.218 6.046 ( -0.000 -3.459 -0.000) 3.459 6.168 ( -0.000 -4.050 -0.000) 4.050 6.211 ( -0.000 -9.086 -0.000) 9.086 6.280 ( -0.000 -6.502 -0.000) 6.502 6.659 ( -0.000 -3.476 -0.000) 3.476 7.020 ( 0.000 1.057 0.000) 1.057 7.131 ( 0.000 2.703 0.000) 2.703 7.207 ( 0.000 5.498 0.000) 5.498 7.579 ( -0.000 -8.250 -0.000) 8.250 7.595 ( 0.000 0.792 0.000) 0.792 7.699 ( -0.000 -2.383 -0.000) 2.383 7.962 ( 0.000 0.452 0.000) 0.452 8.143 ( -0.000 -1.941 -0.000) 1.941 8.279 ( 0.000 1.245 0.000) 1.245 8.433 ( 0.000 3.671 0.000) 3.671 8.478 ( 0.000 0.286 0.000) 0.286 8.692 ( 0.000 2.126 0.000) 2.126 8.854 ( -0.000 -1.335 -0.000) 1.335 8.902 ( -0.000 -2.568 -0.000) 2.568 9.238 ( 0.000 3.868 0.000) 3.868 9.716 ( 0.000 1.864 0.000) 1.864 9.892 ( -0.000 -4.413 -0.000) 4.413 10.478 ( -0.000 -1.848 -0.000) 1.848 10.796 ( 0.000 1.782 0.000) 1.782 10.981 ( -0.000 -0.649 -0.000) 0.649 11.322 ( -0.000 -0.119 -0.000) 0.119 11.526 ( -0.000 -1.294 -0.000) 1.294 11.588 ( 0.000 0.212 0.000) 0.212 12.134 ( 0.000 7.125 0.000) 7.125 12.626 ( -0.000 -0.881 -0.000) 0.881 13.424 ( -0.000 -2.140 -0.000) 2.140 13.548 ( -0.000 -1.943 -0.000) 1.943 14.108 ( 0.000 1.094 0.000) 1.094 14.533 ( -0.000 -3.532 -0.000) 3.532 15.585 ( 0.000 1.832 0.000) 1.832 15.747 ( 0.000 4.114 0.000) 4.114 18.138 ( 0.000 2.113 0.000) 2.113 19.565 ( -0.000 -7.922 -0.000) 7.922 19.891 ( 0.000 6.138 0.000) 6.138 21.380 ( 0.000 1.350 0.000) 1.350 21.851 ( 0.000 0.482 0.000) 0.482 21.994 ( -0.000 -1.411 -0.000) 1.411 ======================= Grid point 58 (31/141) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.095 ( -0.000 -0.000 -0.000) 0.000 2.362 ( -0.000 -0.000 -0.000) 0.000 2.501 ( -0.000 -0.000 -0.000) 0.000 2.830 ( -0.000 -0.000 -0.000) 0.000 2.929 ( -0.000 -0.000 -0.000) 0.000 3.442 ( -0.000 -0.000 -0.000) 0.000 3.706 ( -0.000 -0.000 -0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.024 ( -0.000 -0.000 -0.000) 0.000 4.290 ( -0.000 -0.000 -0.000) 0.000 4.406 ( -0.000 -0.000 -0.000) 0.000 4.421 ( -0.000 -0.000 -0.000) 0.000 4.665 ( -0.000 -0.000 -0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.773 ( -0.000 -0.000 -0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.138 ( -0.000 -0.000 -0.000) 0.000 5.240 ( -0.000 -0.000 -0.000) 0.000 5.311 ( -0.000 -0.000 -0.000) 0.000 5.451 ( -0.000 -0.000 -0.000) 0.000 5.604 ( -0.000 -0.000 -0.000) 0.000 5.660 ( -0.000 -0.000 -0.000) 0.000 5.712 ( -0.000 -0.000 -0.000) 0.000 6.003 ( -0.000 -0.000 -0.000) 0.000 6.093 ( -0.000 -0.000 -0.000) 0.000 6.101 ( -0.000 -0.000 -0.000) 0.000 6.233 ( -0.000 -0.000 -0.000) 0.000 6.625 ( -0.000 -0.000 -0.000) 0.000 7.029 ( -0.000 -0.000 -0.000) 0.000 7.161 ( -0.000 -0.000 -0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.496 ( -0.000 -0.000 -0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.674 ( -0.000 -0.000 -0.000) 0.000 7.973 ( -0.000 -0.000 -0.000) 0.000 8.117 ( -0.000 -0.000 -0.000) 0.000 8.289 ( -0.000 -0.000 -0.000) 0.000 8.469 ( -0.000 -0.000 -0.000) 0.000 8.480 ( -0.000 -0.000 -0.000) 0.000 8.722 ( -0.000 -0.000 -0.000) 0.000 8.839 ( -0.000 -0.000 -0.000) 0.000 8.871 ( -0.000 -0.000 -0.000) 0.000 9.279 ( -0.000 -0.000 -0.000) 0.000 9.746 ( -0.000 -0.000 -0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 10.461 ( -0.000 -0.000 -0.000) 0.000 10.819 ( -0.000 -0.000 -0.000) 0.000 10.969 ( -0.000 -0.000 -0.000) 0.000 11.320 ( -0.000 -0.000 -0.000) 0.000 11.513 ( -0.000 -0.000 -0.000) 0.000 11.590 ( -0.000 -0.000 -0.000) 0.000 12.208 ( -0.000 -0.000 -0.000) 0.000 12.615 ( -0.000 -0.000 -0.000) 0.000 13.396 ( -0.000 -0.000 -0.000) 0.000 13.535 ( -0.000 -0.000 -0.000) 0.000 14.119 ( -0.000 -0.000 -0.000) 0.000 14.498 ( -0.000 -0.000 -0.000) 0.000 15.604 ( -0.000 -0.000 -0.000) 0.000 15.788 ( -0.000 -0.000 -0.000) 0.000 18.160 ( -0.000 -0.000 -0.000) 0.000 19.485 ( -0.000 -0.000 -0.000) 0.000 19.952 ( -0.000 -0.000 -0.000) 0.000 21.395 ( -0.000 -0.000 -0.000) 0.000 21.857 ( -0.000 -0.000 -0.000) 0.000 21.978 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 9.238 0.000 31.230) 32.568 0.672 ( -7.590 -0.000 32.265) 33.146 1.193 ( 3.886 0.000 55.487) 55.623 2.567 ( -3.003 -0.000 -19.244) 19.476 2.747 ( -3.351 -0.000 -32.285) 32.458 2.818 ( 8.511 0.000 2.127) 8.773 3.517 ( 3.630 0.000 -7.805) 8.608 3.533 ( -6.445 -0.000 -11.152) 12.881 3.815 ( 3.075 0.000 3.151) 4.402 3.884 ( -1.994 -0.000 6.529) 6.827 3.977 ( 4.984 0.000 11.967) 12.963 4.243 ( -8.601 -0.000 7.149) 11.184 4.420 ( -0.133 -0.000 -0.334) 0.359 4.579 ( 1.614 0.000 6.035) 6.247 4.703 ( -0.804 -0.000 -2.084) 2.234 4.867 ( -0.546 -0.000 0.434) 0.697 4.993 ( -5.537 -0.000 -0.539) 5.563 5.304 ( 0.130 0.000 -4.482) 4.483 5.530 ( 0.484 0.000 -1.850) 1.912 5.737 ( -1.876 -0.000 -5.013) 5.352 5.799 ( 3.605 0.000 -7.116) 7.977 5.847 ( 3.724 0.000 -0.284) 3.735 6.153 ( -6.995 -0.000 -6.962) 9.869 6.203 ( 6.683 0.000 -3.860) 7.718 6.348 ( -2.594 -0.000 4.203) 4.940 6.402 ( 1.924 0.000 5.090) 5.442 6.672 ( 1.170 0.000 3.409) 3.604 6.729 ( -8.581 -0.000 9.762) 12.997 6.781 ( 2.881 0.000 4.736) 5.543 6.925 ( 0.275 0.000 -9.609) 9.613 7.212 ( -1.965 -0.000 9.397) 9.601 7.240 ( 4.307 0.000 -0.663) 4.358 7.621 ( 0.382 0.000 -6.959) 6.969 7.834 ( -1.639 -0.000 3.782) 4.122 7.852 ( 3.700 0.000 -1.818) 4.122 7.943 ( -5.797 -0.000 0.490) 5.817 7.985 ( 6.630 0.000 2.255) 7.003 8.098 ( -9.092 -0.000 1.640) 9.238 8.135 ( -2.352 -0.000 -3.629) 4.325 8.408 ( -1.633 -0.000 -2.905) 3.333 8.869 ( -1.644 -0.000 0.076) 1.646 8.900 ( -0.413 -0.000 -2.989) 3.017 8.939 ( 2.302 0.000 2.431) 3.348 9.155 ( 25.697 0.000 -3.376) 25.918 9.689 ( -4.808 -0.000 6.457) 8.051 9.983 ( 2.067 0.000 -4.645) 5.084 10.247 ( 0.872 0.000 6.657) 6.714 10.723 ( -1.876 -0.000 -7.187) 7.428 10.894 ( -2.053 -0.000 0.794) 2.201 10.971 ( 11.415 0.000 -0.212) 11.417 11.666 ( -4.344 -0.000 1.165) 4.498 11.678 ( 2.423 0.000 0.372) 2.451 12.616 ( 2.058 0.000 -0.813) 2.213 12.631 ( -0.997 -0.000 -0.659) 1.195 13.477 ( -1.020 -0.000 5.389) 5.484 13.870 ( 0.823 0.000 -3.593) 3.686 15.145 ( 0.647 0.000 -0.109) 0.656 15.166 ( 3.224 0.000 -1.028) 3.384 15.406 ( -22.918 -0.000 2.712) 23.078 15.588 ( 156.344 0.000 -1.742) 156.354 19.187 ( 0.213 0.000 3.178) 3.185 19.490 ( -0.726 -0.000 -3.627) 3.699 20.336 ( 11.145 0.000 1.674) 11.270 20.429 ( -86.906 -0.000 -0.531) 86.907 21.658 ( -0.957 -0.000 1.162) 1.505 21.761 ( 0.876 0.000 -1.090) 1.398 ======================= Grid point 106 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 20.800 8.319 25.935) 34.271 1.080 ( 25.179 -8.460 22.806) 35.010 1.783 ( 23.508 -19.062 41.515) 51.376 2.476 ( -2.971 10.899 -34.107) 35.929 2.509 ( 3.163 -3.576 -15.010) 15.751 3.046 ( 19.533 0.406 2.140) 19.654 3.469 ( 1.353 -2.559 -13.237) 13.549 3.571 ( 4.899 -4.471 -12.392) 14.055 3.800 ( -3.080 4.961 5.898) 8.300 3.919 ( 3.177 0.036 5.670) 6.500 4.129 ( 3.264 -6.624 11.698) 13.833 4.282 ( 7.028 -0.559 7.921) 10.605 4.433 ( -1.257 -4.466 -4.246) 6.290 4.652 ( 0.853 -0.015 -3.043) 3.161 4.750 ( 3.945 -5.586 4.174) 8.011 4.818 ( -2.962 -1.504 -3.577) 4.882 4.974 ( -0.019 -0.831 4.794) 4.866 5.254 ( -2.401 1.314 -5.289) 5.955 5.524 ( -1.631 0.251 0.190) 1.661 5.662 ( -2.089 2.190 -6.838) 7.478 5.810 ( 2.120 2.834 -4.634) 5.831 5.868 ( 0.801 -0.094 -2.216) 2.358 5.986 ( -6.620 4.044 -6.712) 10.257 6.208 ( -1.487 4.268 -2.066) 4.970 6.311 ( -2.632 -1.424 2.743) 4.060 6.429 ( -3.369 2.540 9.676) 10.556 6.565 ( -11.578 2.686 4.564) 12.732 6.680 ( 2.491 4.072 -0.900) 4.858 6.793 ( 2.831 7.434 -3.076) 8.529 6.958 ( 1.014 -5.722 -2.378) 6.278 7.175 ( -5.005 2.128 8.219) 9.855 7.296 ( 1.786 1.164 0.266) 2.148 7.562 ( -5.800 -2.100 -6.424) 8.906 7.773 ( -5.820 0.528 3.581) 6.854 7.800 ( -5.966 0.436 -2.500) 6.483 7.892 ( -5.768 -1.292 1.056) 6.004 7.967 ( 2.727 -3.985 2.880) 5.623 8.157 ( 4.693 -1.954 -3.634) 6.249 8.300 ( 17.692 -1.802 0.632) 17.795 8.383 ( -3.629 -2.331 4.204) 6.023 8.802 ( -5.402 1.543 -0.288) 5.625 8.916 ( 4.329 -0.211 -4.152) 6.002 9.045 ( 8.665 -0.012 0.905) 8.712 9.301 ( 3.055 4.363 -3.758) 6.518 9.676 ( -1.462 -1.455 1.357) 2.469 10.006 ( 1.957 -0.477 -2.715) 3.381 10.283 ( -0.521 0.721 6.405) 6.467 10.635 ( -3.353 1.869 -7.944) 8.823 10.887 ( 0.585 -1.273 -0.360) 1.446 11.105 ( 5.488 -0.873 -2.846) 6.243 11.587 ( -5.188 -0.386 2.630) 5.829 11.758 ( 6.553 -0.388 1.993) 6.860 12.591 ( -3.552 -0.037 -1.624) 3.906 12.629 ( 2.707 4.779 1.546) 5.706 13.452 ( -2.960 0.673 4.437) 5.376 13.797 ( -6.871 1.897 -4.510) 8.435 14.868 ( -21.196 6.947 -4.089) 22.677 15.203 ( 1.352 -4.816 -1.925) 5.359 15.350 ( 8.367 0.115 -6.271) 10.456 17.240 ( 93.774 47.494 -45.144) 114.400 18.518 ( -52.603 51.794 54.695) 91.876 19.238 ( 2.557 -1.601 3.681) 4.760 19.984 ( -30.098 -48.857 -9.030) 58.090 20.560 ( 7.298 -12.104 4.566) 14.853 21.669 ( -0.947 -3.616 -0.076) 3.739 21.779 ( 1.256 -1.158 -0.689) 1.842 ======================= Grid point 107 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 22.375 5.969 16.535) 28.455 1.673 ( 23.105 -10.751 18.384) 31.423 2.150 ( -1.297 14.296 -27.685) 31.186 2.522 ( 18.579 -9.073 3.250) 20.930 2.655 ( 20.669 -15.795 10.911) 28.208 3.384 ( 6.301 0.791 -5.926) 8.686 3.450 ( 15.271 -1.794 -6.810) 16.816 3.631 ( 3.615 -7.487 -11.484) 14.178 3.797 ( 3.884 1.779 4.998) 6.575 4.005 ( 4.193 0.751 5.643) 7.070 4.304 ( 2.695 -7.032 9.502) 12.125 4.412 ( -1.887 -4.014 -6.700) 8.035 4.467 ( 9.138 -0.099 8.310) 12.351 4.621 ( -4.875 -5.734 -5.748) 9.471 4.847 ( 0.300 -3.763 2.775) 4.686 4.862 ( 6.284 1.126 3.278) 7.177 5.037 ( 3.056 -3.115 2.562) 5.061 5.178 ( -1.149 0.736 -3.589) 3.839 5.458 ( -4.331 4.047 2.633) 6.486 5.578 ( -1.733 1.968 -6.555) 7.061 5.750 ( -1.301 7.399 -5.448) 9.280 5.788 ( -7.064 5.571 -6.123) 10.882 5.888 ( 1.205 -0.678 -3.492) 3.756 6.067 ( -8.893 3.598 0.947) 9.640 6.269 ( -2.755 5.314 4.271) 7.353 6.387 ( -5.908 1.177 4.409) 7.465 6.453 ( 0.766 -0.253 3.634) 3.722 6.622 ( -0.542 8.759 -4.731) 9.970 6.763 ( 4.911 6.597 -6.610) 10.551 6.970 ( -5.759 -1.111 6.862) 9.027 7.150 ( 0.036 -1.723 1.990) 2.632 7.277 ( -2.749 -0.826 -1.054) 3.058 7.416 ( -10.845 -1.762 -3.545) 11.544 7.658 ( -6.333 0.030 -1.444) 6.495 7.750 ( -1.987 -0.659 -1.588) 2.627 7.896 ( 0.589 -3.645 3.108) 4.826 8.047 ( 1.400 -2.182 1.453) 2.972 8.244 ( 3.619 -2.611 -0.836) 4.540 8.357 ( -4.262 -1.028 3.814) 5.811 8.523 ( 3.062 -1.840 0.766) 3.653 8.708 ( 1.752 6.390 -3.561) 7.522 8.986 ( 4.400 -2.531 -2.221) 5.540 9.184 ( 9.238 2.009 -0.110) 9.454 9.298 ( 6.180 3.635 -0.718) 7.206 9.659 ( -3.982 -3.635 0.696) 5.436 10.028 ( 1.699 1.057 -0.447) 2.050 10.281 ( -1.104 2.082 6.351) 6.774 10.515 ( -3.555 3.354 -6.948) 8.495 10.931 ( 2.952 -1.770 -0.614) 3.496 11.152 ( 0.768 -1.761 -1.968) 2.750 11.543 ( -3.580 -1.390 3.103) 4.938 11.909 ( 10.231 -0.387 2.948) 10.654 12.500 ( -6.237 0.431 -3.140) 6.996 12.624 ( 1.030 4.889 3.655) 6.190 13.427 ( -1.092 0.855 1.562) 2.089 13.579 ( -13.143 2.102 -7.029) 15.052 14.508 ( -12.444 4.848 -6.550) 14.875 15.238 ( 2.860 0.711 -7.479) 8.039 15.499 ( 10.461 -5.305 -5.282) 12.864 17.394 ( 9.321 65.890 23.354) 70.525 18.032 ( 2.835 -1.648 0.034) 3.279 19.317 ( 3.093 -0.393 2.055) 3.734 19.885 ( -20.132 -21.574 -5.841) 30.081 20.792 ( 4.568 -11.191 2.416) 12.326 21.696 ( -0.100 -4.048 -0.758) 4.119 21.816 ( 1.312 -2.379 -0.106) 2.719 ======================= Grid point 108 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 18.313 5.397 1.862) 19.182 1.879 ( 5.270 7.920 -10.355) 14.062 2.253 ( 18.677 -10.237 17.377) 27.488 2.741 ( 11.373 -6.065 -7.677) 15.002 3.148 ( -3.282 -5.881 -4.736) 8.233 3.423 ( 20.313 -6.511 2.314) 21.457 3.729 ( 3.151 -11.353 -1.944) 11.942 3.802 ( 18.017 2.667 -4.806) 18.836 3.891 ( 7.365 -0.798 4.803) 8.829 4.069 ( 1.093 -1.454 -0.370) 1.856 4.379 ( 0.367 -6.120 -4.898) 7.847 4.449 ( -2.250 -6.680 3.835) 8.025 4.575 ( 1.593 0.550 1.930) 2.562 4.677 ( 9.223 -0.447 4.412) 10.234 4.813 ( -4.842 1.801 6.259) 8.115 4.936 ( -1.321 2.035 3.197) 4.013 5.138 ( 9.263 -2.132 -5.144) 10.808 5.250 ( 5.223 -4.463 1.253) 6.983 5.368 ( -3.460 3.930 6.524) 8.365 5.485 ( -9.795 9.472 -8.285) 15.947 5.543 ( 0.287 0.459 -2.211) 2.276 5.641 ( -3.226 6.736 -4.822) 8.890 5.856 ( -1.038 5.205 -3.801) 6.528 5.993 ( -1.524 -5.528 1.496) 5.926 6.175 ( -1.184 11.883 6.188) 13.450 6.316 ( -4.412 0.472 0.093) 4.438 6.484 ( 0.956 4.884 -7.154) 8.715 6.537 ( 2.180 0.065 2.901) 3.630 6.736 ( 0.571 1.698 -5.696) 5.971 6.891 ( -7.586 1.153 7.179) 10.508 7.181 ( 1.473 1.944 0.285) 2.456 7.229 ( -7.276 -4.347 1.078) 8.544 7.282 ( -6.416 -6.631 -4.101) 10.097 7.567 ( -4.754 -0.382 -1.069) 4.887 7.723 ( 1.595 2.837 -2.921) 4.373 7.956 ( 2.770 2.593 3.967) 5.489 8.069 ( -2.431 -4.439 0.338) 5.072 8.267 ( -5.470 -2.076 2.907) 6.533 8.325 ( -0.939 -0.642 -0.045) 1.138 8.468 ( -4.913 -0.441 -3.331) 5.952 8.650 ( -0.179 8.214 -3.315) 8.860 9.067 ( 0.123 -1.826 3.612) 4.049 9.319 ( 11.597 1.555 -3.077) 12.099 9.422 ( 12.503 3.397 -0.948) 12.991 9.666 ( -1.506 -7.577 1.621) 7.893 10.008 ( -2.439 2.285 0.610) 3.397 10.290 ( 1.203 2.427 4.319) 5.098 10.409 ( -2.249 2.855 -2.231) 4.265 10.995 ( 3.352 -0.927 -0.302) 3.491 11.157 ( -1.024 -1.937 -1.654) 2.745 11.516 ( -3.795 -1.537 3.007) 5.080 12.096 ( 10.443 -0.212 1.605) 10.567 12.359 ( -8.027 0.462 -5.296) 9.627 12.603 ( -0.366 4.472 5.015) 6.729 13.348 ( -8.221 -0.589 -5.640) 9.987 13.413 ( -0.442 1.395 -0.452) 1.531 14.310 ( -5.670 2.070 -4.602) 7.590 15.216 ( 3.138 3.087 -12.843) 13.576 15.712 ( 9.941 -8.513 -4.169) 13.736 16.973 ( -12.911 36.385 34.662) 51.885 18.161 ( 15.362 4.738 -13.498) 20.991 19.320 ( -1.322 4.534 -0.657) 4.768 19.772 ( -13.877 -15.620 0.288) 20.896 20.943 ( 3.398 -5.213 1.597) 6.424 21.736 ( 1.009 -3.420 -1.199) 3.761 21.861 ( 0.754 -2.945 0.674) 3.114 ======================= Grid point 109 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 6.001 4.425 -5.995) 9.567 2.109 ( 15.338 -0.216 7.709) 17.168 2.683 ( 11.259 -8.745 14.160) 20.094 2.820 ( -4.088 0.225 -6.098) 7.345 3.143 ( 8.438 -7.867 -8.776) 14.495 3.617 ( -1.497 0.021 -7.227) 7.380 3.851 ( -0.426 -8.304 -6.869) 10.786 3.924 ( 3.717 2.326 6.938) 8.208 4.089 ( 6.305 -0.371 -4.971) 8.038 4.151 ( 9.147 -7.370 1.355) 11.825 4.374 ( -4.165 4.258 -1.170) 6.070 4.454 ( -5.683 -7.309 2.640) 9.627 4.607 ( 2.189 2.954 2.430) 4.407 4.804 ( 3.564 -9.008 0.620) 9.707 4.872 ( 8.659 7.804 3.326) 12.123 4.904 ( 3.160 3.549 4.834) 6.778 5.210 ( -1.514 3.665 -4.301) 5.850 5.224 ( -0.911 5.851 -2.393) 6.387 5.337 ( -5.481 1.660 7.313) 9.289 5.364 ( 1.514 -4.326 0.511) 4.611 5.546 ( 2.545 1.590 -0.495) 3.041 5.621 ( 5.798 -1.147 0.486) 5.930 5.785 ( 1.420 3.531 -5.703) 6.856 6.028 ( -0.505 8.454 2.025) 8.707 6.074 ( -0.215 2.836 4.078) 4.972 6.253 ( -0.469 1.647 1.494) 2.272 6.412 ( -3.620 0.540 -7.756) 8.576 6.585 ( -0.637 -3.434 3.651) 5.053 6.721 ( 2.292 -2.682 -9.048) 9.712 6.812 ( -5.242 -0.174 6.694) 8.504 7.132 ( -6.089 -2.686 -1.170) 6.757 7.179 ( -6.478 -3.155 6.885) 9.966 7.270 ( 1.018 -2.202 -6.953) 7.364 7.505 ( -2.962 0.146 0.752) 3.059 7.727 ( 5.676 5.269 -2.802) 8.236 7.953 ( 2.377 8.038 3.411) 9.049 8.071 ( -5.419 -6.784 0.362) 8.690 8.220 ( -2.132 -1.654 1.844) 3.268 8.280 ( -3.282 -0.077 -4.259) 5.378 8.433 ( 1.424 -0.813 -3.090) 3.498 8.539 ( -2.386 6.908 -0.839) 7.356 9.036 ( -6.356 -0.350 5.283) 8.273 9.483 ( 10.622 0.490 -3.798) 11.291 9.547 ( 5.979 0.398 -2.639) 6.548 9.785 ( 4.548 -7.523 2.908) 9.259 9.930 ( -4.753 2.178 1.706) 5.500 10.260 ( -0.751 4.042 -1.719) 4.456 10.405 ( 0.851 0.038 6.267) 6.324 11.043 ( 2.571 1.047 -0.122) 2.779 11.150 ( -0.604 -1.451 -1.461) 2.146 11.475 ( -3.891 -0.283 2.088) 4.425 12.195 ( -4.626 -3.072 -12.779) 13.933 12.237 ( 3.048 2.159 3.522) 5.134 12.579 ( -0.781 3.547 5.468) 6.565 13.305 ( 1.459 -3.378 0.986) 3.809 13.386 ( -0.437 2.172 -0.388) 2.250 14.227 ( -1.971 -0.546 -2.222) 3.020 15.156 ( 2.210 2.431 -19.072) 19.353 15.921 ( 7.003 -8.548 -1.721) 11.183 16.613 ( -14.997 22.422 26.763) 37.999 18.288 ( 13.638 3.880 -11.017) 17.956 19.210 ( -5.294 3.401 -0.551) 6.317 19.745 ( -7.997 -10.852 2.712) 13.751 21.027 ( 2.923 -0.834 1.147) 3.249 21.778 ( 1.784 -1.631 -1.457) 2.823 21.897 ( -0.146 -2.175 1.365) 2.572 ======================= Grid point 110 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 7.925 -4.021 3.827) 9.676 2.227 ( -4.713 4.245 3.377) 7.186 2.626 ( -9.951 0.745 -2.239) 10.227 2.997 ( 7.076 -4.936 12.463) 15.158 3.287 ( 1.317 -3.742 -10.501) 11.225 3.516 ( -0.973 -1.159 -5.153) 5.370 3.859 ( 1.670 -4.035 -9.318) 10.291 3.931 ( -4.376 0.606 -4.159) 6.067 4.096 ( -0.504 2.270 1.323) 2.675 4.222 ( -1.394 7.113 -2.472) 7.658 4.325 ( 0.851 -5.275 0.427) 5.360 4.453 ( -4.549 -4.990 3.500) 7.606 4.594 ( -1.290 2.814 -0.012) 3.096 4.829 ( -2.513 8.396 5.337) 10.261 4.923 ( -1.708 -1.572 -1.022) 2.536 5.002 ( 8.504 4.019 -1.796) 9.575 5.157 ( -1.739 1.944 1.233) 2.885 5.220 ( -1.769 3.131 -0.707) 3.665 5.242 ( 3.677 -4.381 5.166) 7.707 5.447 ( 0.836 -5.899 3.860) 7.099 5.596 ( -0.172 3.333 2.646) 4.259 5.688 ( 1.855 0.193 4.927) 5.268 5.805 ( 6.947 -1.180 -10.946) 13.018 5.895 ( -0.319 12.347 2.969) 12.703 6.076 ( -1.733 0.247 2.469) 3.027 6.235 ( -1.891 0.170 -3.407) 3.900 6.401 ( 4.468 -3.201 2.740) 6.141 6.646 ( 0.500 -7.257 0.213) 7.278 6.724 ( 0.705 2.475 -4.218) 4.942 6.802 ( -0.498 -4.859 0.055) 4.884 7.064 ( -4.705 -4.242 -3.686) 7.329 7.153 ( -6.984 -5.190 11.480) 14.405 7.276 ( 3.838 2.246 -6.739) 8.074 7.472 ( -2.072 -0.942 -0.045) 2.276 7.757 ( 5.373 6.160 -1.768) 8.363 7.954 ( 2.576 2.860 4.253) 5.736 8.029 ( -3.199 -1.115 -1.169) 3.584 8.225 ( -0.120 0.006 0.815) 0.824 8.268 ( 3.530 -3.180 -5.132) 6.994 8.434 ( -3.708 4.779 4.309) 7.427 8.473 ( 6.568 2.341 -7.167) 9.999 8.966 ( -6.940 -2.492 5.474) 9.183 9.529 ( -0.807 -1.283 -7.122) 7.281 9.639 ( 4.292 -1.282 -0.247) 4.486 9.833 ( -6.668 1.641 3.709) 7.805 9.922 ( 3.168 -3.515 1.951) 5.119 10.223 ( 1.123 2.092 -0.538) 2.435 10.446 ( -0.354 -0.947 7.296) 7.365 11.051 ( 1.078 2.507 -0.686) 2.813 11.158 ( 0.839 -0.166 -0.409) 0.948 11.427 ( -1.402 2.028 -0.181) 2.472 12.081 ( -4.779 -1.862 -8.722) 10.119 12.277 ( 1.618 -1.576 -3.372) 4.058 12.565 ( -0.586 2.396 5.461) 5.992 13.355 ( 0.951 1.833 1.062) 2.322 13.430 ( 4.638 -3.496 5.659) 8.109 14.234 ( 1.382 -2.648 0.492) 3.027 15.054 ( 0.126 -0.018 -26.847) 26.848 16.060 ( 1.609 -3.200 1.154) 3.763 16.314 ( -15.056 10.649 20.350) 27.463 18.424 ( 12.650 1.277 -8.029) 15.037 19.132 ( -2.364 -1.736 0.386) 2.958 19.726 ( -7.018 -6.240 2.636) 9.754 21.071 ( 2.840 2.156 1.273) 3.786 21.806 ( 1.990 0.806 -1.584) 2.668 21.910 ( -0.842 -0.383 1.868) 2.084 ======================= Grid point 111 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -14.287 1.333 -3.917) 14.874 2.076 ( -2.551 2.595 6.314) 7.288 2.368 ( -13.897 5.925 4.181) 15.675 3.088 ( -5.606 -2.534 -9.380) 11.217 3.282 ( 5.090 -3.137 7.955) 9.952 3.551 ( -3.275 -0.247 6.396) 7.190 3.791 ( -3.376 -2.669 -15.606) 16.189 3.820 ( -14.763 1.669 -7.308) 16.557 4.036 ( -4.819 0.887 1.816) 5.225 4.133 ( 1.544 8.243 -0.307) 8.392 4.325 ( -1.092 -0.843 -2.545) 2.895 4.437 ( -4.264 -0.714 1.953) 4.743 4.553 ( -1.177 1.473 2.591) 3.205 4.701 ( -2.799 6.924 1.324) 7.585 4.809 ( -8.518 2.250 0.817) 8.848 5.038 ( 3.754 9.808 -0.007) 10.502 5.124 ( -0.892 -4.705 -1.172) 4.930 5.190 ( -0.202 2.856 1.028) 3.042 5.448 ( 2.449 -10.270 3.309) 11.064 5.496 ( 1.409 6.362 1.264) 6.638 5.572 ( 1.391 -5.707 3.739) 6.963 5.684 ( -2.589 -3.560 0.932) 4.499 5.876 ( 2.831 -2.614 -2.557) 4.625 5.916 ( 7.723 1.714 2.196) 8.210 6.076 ( 3.771 3.809 4.064) 6.727 6.230 ( 2.993 -1.653 -4.149) 5.377 6.483 ( 1.001 -0.610 -1.763) 2.117 6.668 ( -4.898 -0.350 -0.079) 4.911 6.726 ( 2.348 -4.271 0.106) 4.875 6.911 ( 8.742 -4.097 -3.802) 10.376 7.048 ( -1.713 -4.880 0.109) 5.173 7.159 ( -7.370 -6.853 12.198) 15.814 7.284 ( 4.423 3.036 -5.501) 7.683 7.463 ( 0.366 -2.663 -4.141) 4.936 7.744 ( 0.469 2.939 -1.087) 3.168 7.969 ( -1.492 0.369 3.039) 3.405 8.044 ( 6.890 4.010 -0.753) 8.008 8.239 ( 1.732 1.473 -0.056) 2.274 8.303 ( -0.616 3.227 -0.191) 3.291 8.398 ( 1.376 -0.278 2.933) 3.251 8.559 ( 12.396 0.517 -10.468) 16.233 8.923 ( -5.935 -4.290 5.612) 9.226 9.445 ( -8.209 -2.560 -6.153) 10.573 9.611 ( -9.440 0.137 -0.649) 9.463 9.777 ( -0.166 0.110 4.291) 4.296 9.983 ( 1.700 -0.663 1.620) 2.440 10.228 ( 0.651 1.564 0.598) 1.797 10.502 ( 1.583 -2.510 7.271) 7.854 11.034 ( 0.468 2.564 -0.480) 2.651 11.159 ( -0.534 0.382 -1.157) 1.331 11.396 ( 2.383 4.887 -1.647) 5.681 11.982 ( -4.812 -0.466 -7.541) 8.958 12.308 ( 1.121 -4.575 -3.785) 6.042 12.566 ( -0.039 1.439 4.995) 5.198 13.397 ( 4.950 0.033 2.070) 5.366 13.543 ( 1.720 -2.225 5.693) 6.350 14.326 ( 4.345 -4.621 3.201) 7.105 14.903 ( -2.797 -3.542 -34.823) 35.115 15.926 ( -9.464 13.419 1.447) 16.484 16.226 ( -10.424 -8.596 19.040) 23.346 18.584 ( 9.297 -3.469 -3.482) 10.517 19.193 ( 6.131 -5.428 -1.159) 8.270 19.664 ( -8.327 -3.738 1.954) 9.334 21.093 ( 3.416 4.823 2.295) 6.341 21.809 ( 1.782 3.009 -1.644) 3.864 21.897 ( -1.017 1.834 2.201) 3.040 ======================= Grid point 112 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -24.820 7.575 -7.148) 26.917 1.736 ( -22.681 16.076 6.925) 28.650 2.393 ( 5.500 -1.697 4.200) 7.125 2.936 ( -14.935 -0.263 -9.687) 17.803 3.238 ( -24.790 3.188 -1.284) 25.027 3.425 ( -6.097 2.558 10.720) 12.595 3.584 ( -5.651 -2.701 -1.236) 6.384 3.644 ( -2.928 -0.127 -7.997) 8.517 3.937 ( -5.318 2.623 -2.007) 6.260 4.099 ( -4.067 0.736 2.959) 5.083 4.294 ( -2.621 1.188 -2.441) 3.773 4.312 ( -9.666 5.653 -1.151) 11.257 4.536 ( 1.129 3.372 2.458) 4.323 4.675 ( 2.541 1.565 2.931) 4.183 4.715 ( 0.332 1.416 -0.026) 1.455 4.980 ( -0.370 6.980 2.043) 7.283 5.163 ( -0.124 0.793 -0.922) 1.222 5.216 ( 5.311 -6.695 0.395) 8.555 5.319 ( -5.642 7.146 1.327) 9.201 5.642 ( 1.669 -9.092 2.248) 9.514 5.713 ( 1.190 -5.235 -1.855) 5.680 5.744 ( 6.197 -7.723 -2.048) 10.112 5.891 ( -0.476 -0.590 -2.309) 2.430 6.049 ( 7.363 -1.626 2.789) 8.040 6.180 ( 7.550 1.947 6.203) 9.963 6.317 ( 6.886 -3.160 -2.373) 7.940 6.464 ( 2.864 3.884 -5.411) 7.250 6.596 ( -5.576 -2.251 2.386) 6.470 6.780 ( -1.292 -1.932 1.219) 2.625 7.013 ( 0.383 -3.293 -2.988) 4.463 7.127 ( 3.465 -8.129 -0.514) 8.852 7.171 ( -4.901 -5.943 8.147) 11.212 7.304 ( 4.098 3.446 -3.811) 6.572 7.514 ( 5.699 -2.823 -3.880) 7.450 7.743 ( 1.235 -1.513 -0.618) 2.048 7.951 ( 0.508 3.111 -0.199) 3.159 8.100 ( 4.369 4.317 1.369) 6.293 8.215 ( -3.357 6.116 6.671) 9.653 8.254 ( 2.160 3.654 -3.713) 5.640 8.433 ( 3.105 2.096 -2.119) 4.303 8.733 ( 8.815 -5.990 -8.010) 13.332 8.922 ( -1.301 -3.692 4.571) 6.019 9.273 ( -12.219 -2.424 -5.039) 13.438 9.401 ( -14.882 0.880 -0.070) 14.908 9.813 ( 0.480 -0.976 4.781) 4.903 10.020 ( 2.574 0.752 0.341) 2.703 10.215 ( 0.475 3.190 1.542) 3.575 10.609 ( 4.219 -2.897 4.471) 6.796 11.011 ( -0.513 2.241 0.625) 2.382 11.117 ( -3.016 -0.665 -5.257) 6.097 11.392 ( 4.419 6.638 1.558) 8.125 11.862 ( -5.782 0.620 -6.136) 8.454 12.365 ( 0.683 -6.510 -2.240) 6.919 12.585 ( 1.236 0.812 3.752) 4.033 13.517 ( 5.840 -1.952 0.898) 6.223 13.584 ( 0.396 -1.206 2.772) 3.049 14.461 ( 3.011 -6.829 -5.850) 9.483 14.718 ( -4.067 -6.298 -30.980) 31.874 15.639 ( -9.965 12.539 -0.107) 16.017 16.202 ( -15.681 -8.070 20.070) 26.718 18.745 ( 1.845 -11.601 2.771) 12.069 19.406 ( 15.971 2.218 -0.194) 16.126 19.571 ( -9.508 -10.960 -2.323) 14.694 21.114 ( 5.107 7.580 4.274) 10.090 21.792 ( 1.593 4.199 -1.551) 4.751 21.865 ( -0.521 4.153 2.155) 4.708 ======================= Grid point 113 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -28.515 8.884 -6.134) 30.490 1.283 ( -19.505 19.866 18.108) 33.211 2.191 ( -42.450 14.108 7.457) 45.350 2.589 ( 1.546 2.881 6.176) 6.988 3.009 ( -7.089 -9.977 -24.412) 27.309 3.231 ( -17.925 1.185 -22.700) 28.948 3.485 ( 0.094 -3.670 16.934) 17.328 3.766 ( 3.085 -0.411 3.799) 4.911 3.832 ( -3.738 1.649 1.832) 4.478 3.952 ( -9.528 3.783 2.449) 10.540 4.074 ( -9.184 6.336 -3.811) 11.790 4.246 ( -3.796 -0.625 6.374) 7.445 4.517 ( 1.584 6.935 -0.644) 7.143 4.709 ( -1.118 -0.363 0.477) 1.269 4.743 ( 3.076 1.721 4.118) 5.421 4.936 ( 0.766 2.305 -0.716) 2.532 5.169 ( 0.532 0.099 -1.245) 1.357 5.224 ( -0.311 1.863 2.099) 2.824 5.404 ( 9.247 -4.203 3.325) 10.688 5.696 ( -1.816 -2.603 -0.556) 3.222 5.768 ( 2.203 -2.849 -6.839) 7.729 5.838 ( 1.215 -1.404 -5.922) 6.207 5.935 ( 3.218 -7.329 -0.345) 8.012 6.184 ( 4.833 -2.327 -1.497) 5.569 6.267 ( 3.334 -1.532 -2.036) 4.196 6.454 ( 6.140 -0.931 -1.178) 6.321 6.499 ( 5.916 3.851 1.963) 7.327 6.583 ( -1.353 -3.160 8.845) 9.489 6.744 ( -3.211 -1.330 0.874) 3.584 7.026 ( -0.675 -5.024 -2.281) 5.558 7.151 ( -6.922 -3.856 1.352) 8.038 7.230 ( 0.113 -4.302 -3.645) 5.640 7.368 ( 11.235 0.043 -2.677) 11.550 7.655 ( 7.973 -2.571 2.936) 8.877 7.789 ( 2.421 -0.936 -0.518) 2.647 7.924 ( 0.037 2.941 0.127) 2.944 8.094 ( -2.218 7.852 1.864) 8.369 8.118 ( -0.474 5.649 5.963) 8.228 8.253 ( 3.822 2.682 -4.820) 6.710 8.421 ( -0.858 2.747 -1.894) 3.445 8.823 ( -1.803 -6.338 1.769) 6.823 8.999 ( 2.464 -2.751 -0.863) 3.793 9.088 ( -9.784 -2.713 -8.148) 13.019 9.153 ( -12.726 0.535 -2.179) 12.923 9.830 ( -3.399 -0.589 6.307) 7.189 10.049 ( 3.920 3.547 -1.862) 5.605 10.215 ( 4.376 5.484 0.590) 7.040 10.709 ( 3.553 -2.094 -0.575) 4.164 10.973 ( -3.019 1.246 0.498) 3.304 11.023 ( -5.373 -0.851 -9.051) 10.560 11.436 ( 5.651 5.010 10.042) 12.565 11.745 ( -4.548 0.762 -3.919) 6.051 12.428 ( -1.632 -9.297 -0.537) 9.455 12.621 ( 2.157 0.689 2.362) 3.272 13.503 ( -5.974 -1.489 -4.230) 7.470 13.705 ( 8.911 -1.915 -1.827) 9.296 14.299 ( -13.259 -5.710 -37.229) 39.930 14.783 ( 7.303 -7.071 4.503) 11.118 15.385 ( -7.177 10.382 -0.587) 12.635 16.063 ( -21.983 -5.317 18.545) 29.248 18.909 ( -3.941 -21.457 7.399) 23.036 19.399 ( -6.204 4.505 5.957) 9.710 19.789 ( 15.927 -13.834 -8.371) 22.696 21.158 ( 7.868 8.850 5.842) 13.205 21.769 ( 1.857 4.457 -1.359) 5.017 21.823 ( 0.820 6.573 1.032) 6.704 ======================= Grid point 114 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -19.598 -4.247 16.037) 25.677 0.916 ( -16.824 18.255 28.096) 37.492 1.382 ( -41.649 17.764 30.731) 54.723 2.673 ( 4.705 2.360 4.978) 7.245 2.832 ( -11.309 -1.141 -23.642) 26.233 2.903 ( -5.796 -8.364 -27.957) 29.751 3.549 ( -1.948 0.034 -2.823) 3.431 3.734 ( -6.025 -4.696 0.422) 7.651 3.774 ( -5.546 1.680 -0.254) 5.800 3.865 ( 2.234 5.107 3.636) 6.655 3.924 ( -2.388 3.422 5.035) 6.539 4.256 ( -1.791 -0.330 14.120) 14.237 4.462 ( 1.146 6.430 -0.311) 6.539 4.686 ( -5.428 -6.308 -4.566) 9.492 4.757 ( -3.275 1.176 2.972) 4.576 4.902 ( 0.573 5.836 -8.849) 10.615 5.115 ( -5.348 2.626 0.175) 5.961 5.281 ( 5.004 -0.534 -2.790) 5.754 5.550 ( 1.851 1.738 0.070) 2.540 5.718 ( 6.392 -2.244 0.949) 6.841 5.766 ( 0.954 1.991 -3.031) 3.749 5.803 ( -0.146 -1.408 -10.982) 11.073 6.067 ( 4.435 -6.632 -1.124) 8.058 6.220 ( -1.039 -4.606 -3.527) 5.894 6.324 ( 1.830 0.524 2.281) 2.971 6.417 ( -1.089 5.820 -3.613) 6.936 6.609 ( 2.789 -0.571 9.593) 10.006 6.650 ( 0.309 -8.271 1.772) 8.465 6.787 ( 3.356 3.003 6.111) 7.591 7.025 ( -5.689 -2.354 -8.167) 10.227 7.120 ( 0.486 -6.568 3.566) 7.489 7.231 ( 1.009 2.480 0.366) 2.702 7.565 ( 11.215 -2.254 -4.391) 12.253 7.766 ( 1.526 0.780 0.505) 1.787 7.851 ( 6.375 3.968 0.327) 7.516 7.908 ( -2.174 -2.974 5.807) 6.877 7.992 ( -1.387 3.820 2.577) 4.812 8.147 ( 7.012 4.441 4.828) 9.602 8.264 ( -1.412 -0.504 -1.647) 2.227 8.341 ( 2.456 7.089 0.537) 7.522 8.855 ( -2.617 -6.734 1.853) 7.459 8.928 ( -6.006 0.272 -3.696) 7.058 8.968 ( -1.588 4.176 2.151) 4.959 9.007 ( -9.476 -3.281 -11.768) 15.461 9.771 ( -7.728 0.057 6.315) 9.980 10.030 ( 2.889 8.325 -7.616) 11.647 10.226 ( 2.884 5.548 1.031) 6.337 10.750 ( 1.246 -1.428 -4.446) 4.833 10.870 ( -4.629 -2.018 -2.222) 5.517 10.938 ( -2.858 1.667 1.521) 3.642 11.591 ( 8.946 0.991 14.396) 16.978 11.677 ( -1.407 0.535 -1.618) 2.210 12.513 ( -1.943 -14.955 3.314) 15.441 12.648 ( 0.656 0.963 0.754) 1.388 13.389 ( 0.349 0.320 -2.998) 3.035 13.829 ( 6.087 -0.518 -4.417) 7.539 14.080 ( 6.549 0.177 10.841) 12.667 15.001 ( 8.173 -6.483 3.033) 10.864 15.215 ( -2.645 7.360 -0.348) 7.828 15.785 ( -26.715 -1.837 13.151) 29.833 19.116 ( -1.663 -19.957 5.573) 20.787 19.325 ( -10.455 -15.851 7.863) 20.552 20.115 ( 15.034 -6.687 -5.403) 17.318 21.209 ( 1.441 6.486 -5.736) 8.777 21.742 ( 2.537 11.040 -2.768) 11.661 21.767 ( -0.459 2.596 -1.939) 3.272 ======================= Grid point 116 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 22.584 0.000 20.688) 30.627 1.550 ( 24.049 0.000 20.327) 31.489 2.346 ( 11.713 0.000 -17.550) 21.099 2.370 ( 26.203 0.000 12.191) 28.900 2.519 ( 7.523 0.000 -8.270) 11.180 3.388 ( 14.933 0.000 -1.107) 14.974 3.393 ( -1.608 -0.000 -13.051) 13.150 3.567 ( 12.255 0.000 -14.159) 18.726 3.800 ( 2.289 0.000 -0.427) 2.329 4.088 ( 6.062 0.000 8.278) 10.261 4.170 ( 0.188 0.000 12.088) 12.090 4.350 ( -3.256 -0.000 -7.360) 8.048 4.468 ( 10.430 0.000 9.182) 13.896 4.563 ( -1.248 -0.000 -4.338) 4.514 4.810 ( 1.534 0.000 0.334) 1.570 4.875 ( 6.442 0.000 5.382) 8.395 5.008 ( 2.059 0.000 6.219) 6.551 5.190 ( -2.067 -0.000 -5.700) 6.063 5.500 ( -3.103 -0.000 3.255) 4.497 5.600 ( -1.810 -0.000 -9.224) 9.400 5.827 ( -2.143 -0.000 -4.225) 4.737 5.850 ( -0.769 -0.000 -2.766) 2.870 5.880 ( -2.913 -0.000 -7.686) 8.219 6.081 ( -11.876 -0.000 2.260) 12.089 6.343 ( 0.253 0.000 0.096) 0.270 6.406 ( -8.817 -0.000 4.833) 10.055 6.437 ( -4.253 -0.000 12.534) 13.235 6.699 ( -1.507 -0.000 -2.536) 2.950 6.913 ( 2.979 0.000 5.095) 5.903 6.920 ( 4.238 0.000 -12.250) 12.962 7.098 ( -6.392 -0.000 3.267) 7.179 7.318 ( -1.782 -0.000 -0.953) 2.020 7.377 ( -11.860 -0.000 -3.772) 12.446 7.669 ( -6.371 -0.000 -3.071) 7.072 7.732 ( -1.698 -0.000 -0.232) 1.714 7.794 ( -4.539 -0.000 5.160) 6.872 8.062 ( 6.939 0.000 -0.028) 6.939 8.217 ( 3.269 0.000 -0.316) 3.284 8.348 ( -2.167 -0.000 3.784) 4.361 8.496 ( 1.779 0.000 0.632) 1.888 8.786 ( 7.261 0.000 -1.191) 7.358 8.950 ( 1.838 0.000 -5.047) 5.371 9.211 ( 10.867 0.000 -0.643) 10.886 9.330 ( 2.932 0.000 -0.244) 2.943 9.624 ( -4.178 -0.000 -0.791) 4.252 10.038 ( 2.141 0.000 -0.471) 2.192 10.303 ( -1.667 -0.000 7.572) 7.753 10.550 ( -3.820 -0.000 -7.199) 8.150 10.914 ( 3.457 0.000 0.215) 3.464 11.134 ( 0.770 0.000 -1.686) 1.854 11.529 ( -3.661 -0.000 3.273) 4.911 11.906 ( 10.545 0.000 2.893) 10.935 12.503 ( -6.443 -0.000 -2.475) 6.902 12.675 ( 0.092 0.000 1.746) 1.749 13.436 ( -1.247 -0.000 2.345) 2.656 13.602 ( -14.355 -0.000 -7.366) 16.135 14.563 ( -15.091 -0.000 -8.068) 17.112 15.225 ( 4.213 0.000 -2.577) 4.938 15.454 ( 9.568 0.000 -10.280) 14.044 17.992 ( -21.703 -0.000 25.387) 33.399 18.466 ( 11.779 0.000 -29.328) 31.605 19.316 ( 2.508 0.000 7.399) 7.813 19.339 ( -7.190 -0.000 -2.373) 7.571 20.668 ( 5.587 0.000 12.701) 13.875 21.652 ( 0.264 0.000 0.524) 0.587 21.792 ( 1.340 0.000 -0.612) 1.473 ======================= Grid point 117 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 23.515 9.600 12.845) 28.463 2.016 ( 19.651 -2.702 7.953) 21.371 2.244 ( 10.793 11.192 -13.571) 20.638 2.662 ( 13.306 -2.025 -6.459) 14.929 3.004 ( 18.011 -7.151 5.243) 20.075 3.351 ( 8.678 -0.703 -5.078) 10.079 3.449 ( -1.554 -12.532 -9.864) 16.024 3.841 ( 15.681 0.402 -2.447) 15.876 3.873 ( 5.620 -0.704 0.602) 5.696 4.108 ( -0.662 5.208 4.835) 7.137 4.258 ( 0.755 -5.420 0.905) 5.547 4.298 ( -1.213 -6.383 -3.589) 7.423 4.600 ( 4.754 1.285 1.842) 5.258 4.657 ( 5.566 -1.340 5.571) 7.989 4.835 ( -0.956 0.450 10.077) 10.132 4.965 ( 3.723 0.799 3.487) 5.164 5.107 ( 7.829 -0.577 0.062) 7.850 5.195 ( 4.113 -1.373 0.703) 4.393 5.443 ( -4.595 2.745 5.445) 7.635 5.530 ( -0.927 0.866 -10.188) 10.267 5.672 ( -8.591 4.251 -5.732) 11.168 5.770 ( -3.458 6.790 -4.728) 8.967 5.885 ( 2.299 -2.118 -3.688) 4.834 5.909 ( -9.127 -2.553 2.256) 9.742 6.272 ( -5.938 -2.315 1.864) 6.640 6.358 ( -0.306 7.231 5.931) 9.357 6.481 ( 0.600 -3.315 8.524) 9.165 6.619 ( -4.173 1.963 -5.147) 6.911 6.857 ( -3.192 8.390 -6.898) 11.320 6.907 ( -2.656 1.494 3.223) 4.436 7.112 ( -1.056 -5.702 -5.094) 7.718 7.198 ( -5.717 -1.504 0.442) 5.928 7.230 ( -5.881 1.309 -1.938) 6.328 7.574 ( -2.922 0.741 -3.080) 4.309 7.737 ( 1.648 -1.070 -0.648) 2.069 7.806 ( -2.575 -7.234 5.016) 9.172 8.149 ( 6.355 3.241 -2.866) 7.688 8.224 ( -3.876 -1.027 3.283) 5.182 8.327 ( -3.131 1.518 2.924) 4.545 8.423 ( -7.368 -3.488 0.256) 8.156 8.841 ( 0.931 9.427 -5.287) 10.848 9.004 ( 5.616 -4.800 -0.668) 7.418 9.356 ( 9.817 2.078 -2.618) 10.370 9.457 ( 11.048 -0.904 1.891) 11.245 9.552 ( -4.780 -2.586 -1.740) 5.706 10.039 ( -2.296 0.798 0.677) 2.523 10.322 ( 0.595 0.862 7.623) 7.695 10.452 ( -3.623 1.294 -5.220) 6.485 10.988 ( 4.904 -0.045 1.547) 5.142 11.127 ( -0.939 -0.893 -1.374) 1.889 11.499 ( -2.488 -0.311 3.555) 4.350 12.091 ( 10.273 -0.177 -0.533) 10.288 12.367 ( -8.388 0.272 -2.183) 8.671 12.665 ( -1.500 1.672 3.408) 4.082 13.344 ( -10.765 0.063 -7.136) 12.916 13.433 ( 0.257 0.561 -0.041) 0.618 14.337 ( -8.782 0.674 -6.730) 11.085 15.260 ( 2.870 1.452 -7.209) 7.894 15.578 ( 9.796 -4.272 -9.578) 14.351 17.509 ( -40.691 12.730 48.668) 64.702 18.483 ( 27.741 26.983 -39.149) 55.048 19.328 ( -12.607 -15.517 -2.577) 20.159 19.426 ( 4.838 -7.026 2.359) 8.851 20.836 ( 5.116 -4.122 10.640) 12.505 21.675 ( 1.143 -1.950 0.226) 2.272 21.815 ( 1.012 -1.405 -0.327) 1.762 ======================= Grid point 118 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 13.928 21.061 -12.413) 28.136 2.241 ( 21.944 11.579 9.578) 26.596 2.549 ( 17.670 -4.445 13.814) 22.865 2.854 ( 9.340 1.315 -8.964) 13.012 3.048 ( 2.107 -0.704 -9.867) 10.114 3.560 ( 4.621 -9.442 -7.658) 13.006 3.592 ( 0.805 -14.350 -2.763) 14.635 3.935 ( -3.198 -6.144 -3.523) 7.771 4.012 ( 1.285 0.783 6.786) 6.951 4.071 ( 8.337 -1.014 -0.815) 8.437 4.326 ( -3.136 -6.071 7.447) 10.107 4.398 ( 7.134 -0.820 -2.760) 7.693 4.639 ( -0.743 -3.383 -1.700) 3.858 4.663 ( -4.621 -0.137 2.258) 5.145 4.938 ( 6.676 1.469 11.999) 13.810 5.031 ( 6.604 6.518 4.813) 10.453 5.237 ( 6.904 -0.207 -8.105) 10.649 5.275 ( 0.390 -1.650 1.031) 1.984 5.356 ( -8.266 4.288 -0.639) 9.334 5.401 ( -4.448 3.278 8.478) 10.120 5.553 ( -3.466 0.780 -0.245) 3.561 5.642 ( 3.982 2.495 -6.131) 7.724 5.864 ( -0.607 1.219 -0.448) 1.433 5.950 ( 3.848 -3.485 -1.142) 5.316 6.218 ( -4.342 -1.923 -0.727) 4.804 6.324 ( 1.414 6.871 6.457) 9.535 6.494 ( -3.750 3.836 -4.663) 7.108 6.541 ( -5.384 0.455 5.112) 7.439 6.675 ( -2.717 0.622 -7.392) 7.900 6.848 ( -2.358 3.644 -0.334) 4.353 7.060 ( -6.798 -2.798 1.455) 7.494 7.079 ( -8.458 -4.929 -1.379) 9.886 7.275 ( 5.944 -0.060 -3.656) 6.978 7.528 ( -0.710 1.381 -1.574) 2.211 7.791 ( 5.379 1.161 -0.749) 5.554 7.874 ( -2.821 -9.557 4.327) 10.864 8.132 ( -2.297 7.159 2.822) 8.031 8.178 ( -3.260 -1.985 -1.127) 3.980 8.257 ( -3.600 -1.629 -1.137) 4.112 8.407 ( -0.061 -2.366 1.524) 2.815 8.717 ( 0.415 9.989 -4.745) 11.066 9.044 ( -3.856 1.165 2.339) 4.658 9.481 ( 8.235 -1.449 -2.474) 8.720 9.521 ( -1.385 -3.566 -5.340) 6.569 9.664 ( 10.058 -2.872 2.271) 10.704 9.963 ( -6.170 1.148 2.407) 6.721 10.334 ( -1.299 3.218 -0.502) 3.506 10.399 ( -0.388 -0.541 4.605) 4.652 11.072 ( 4.463 1.543 1.883) 5.084 11.119 ( 0.141 -1.533 -1.345) 2.044 11.486 ( -0.971 1.059 3.731) 3.998 12.127 ( -4.124 -3.161 -15.055) 15.927 12.288 ( 0.093 2.361 5.109) 5.629 12.635 ( -2.166 2.029 4.343) 5.260 13.255 ( 0.804 -1.735 0.467) 1.968 13.426 ( 0.382 1.651 -1.161) 2.054 14.201 ( -5.430 -1.647 -4.318) 7.130 15.209 ( -0.152 3.153 -13.361) 13.729 15.747 ( 7.870 -8.170 -6.200) 12.927 17.015 ( -29.145 15.520 34.730) 47.922 18.480 ( 17.332 16.271 -21.766) 32.232 19.209 ( -12.842 -6.388 -2.214) 14.513 19.574 ( 4.255 -5.071 2.129) 6.953 20.989 ( 4.585 -2.674 5.923) 7.953 21.727 ( 2.083 -2.948 -0.079) 3.611 21.846 ( 0.381 -2.476 0.372) 2.533 ======================= Grid point 119 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 14.972 19.668 -1.094) 24.742 2.446 ( 11.074 16.302 6.238) 20.671 2.685 ( -4.522 5.536 -2.095) 7.449 2.943 ( 11.594 -0.645 9.314) 14.886 3.178 ( 9.325 -6.277 -14.397) 18.266 3.520 ( -3.451 -0.228 -7.249) 8.032 3.767 ( 2.884 -5.934 -5.687) 8.711 3.920 ( -1.638 -2.543 0.794) 3.127 3.988 ( -5.224 -14.013 -2.470) 15.158 4.235 ( 4.017 1.140 2.827) 5.043 4.328 ( -4.946 -0.637 4.780) 6.908 4.407 ( -3.779 1.593 2.253) 4.679 4.625 ( -2.487 -1.133 0.173) 2.739 4.673 ( -2.313 -13.442 -4.619) 14.401 5.017 ( -0.525 7.256 7.964) 10.787 5.064 ( 0.878 3.024 -2.750) 4.180 5.228 ( 4.529 2.560 4.525) 6.895 5.249 ( -1.777 3.537 -3.519) 5.297 5.252 ( -9.891 0.975 6.355) 11.797 5.338 ( 0.642 -2.632 -2.640) 3.783 5.582 ( 1.226 -4.892 9.515) 10.769 5.764 ( 10.769 1.144 -5.195) 12.012 5.811 ( -1.423 5.945 -2.233) 6.508 6.043 ( 1.680 -2.513 3.084) 4.318 6.164 ( 0.352 5.187 0.547) 5.228 6.281 ( -7.374 8.932 3.191) 12.014 6.379 ( 3.612 0.553 1.181) 3.840 6.444 ( -6.064 -9.303 -6.488) 12.861 6.726 ( 5.213 -2.185 -2.577) 6.212 6.774 ( -2.076 2.173 -3.000) 4.246 6.961 ( -6.750 -5.554 -3.450) 9.397 7.063 ( -4.090 -3.848 7.911) 9.702 7.323 ( 4.408 1.791 -6.608) 8.142 7.497 ( -0.768 2.173 -0.122) 2.308 7.854 ( 3.594 3.469 0.193) 4.999 7.916 ( -3.823 -5.717 4.367) 8.147 8.067 ( 1.726 4.002 2.200) 4.882 8.164 ( -0.996 -4.435 0.577) 4.582 8.237 ( 0.269 -1.630 -3.677) 4.031 8.453 ( 2.701 0.364 1.409) 3.068 8.630 ( 4.626 10.504 -5.942) 12.924 8.944 ( -8.014 0.499 5.635) 9.810 9.481 ( -4.579 -4.538 -7.194) 9.659 9.611 ( 5.632 -1.228 -1.627) 5.989 9.828 ( 4.206 -4.519 0.923) 6.242 9.860 ( -7.062 0.813 5.030) 8.708 10.278 ( -0.415 2.847 -0.470) 2.915 10.426 ( -1.504 -1.013 6.788) 7.026 11.080 ( -0.370 0.012 -2.471) 2.498 11.173 ( 4.276 2.035 1.603) 5.000 11.486 ( 2.149 3.698 2.807) 5.116 12.017 ( -4.068 -4.403 -12.832) 14.164 12.271 ( -2.115 0.706 -0.717) 2.342 12.604 ( -1.925 1.580 4.456) 5.105 13.361 ( 5.410 -1.778 5.589) 7.979 13.409 ( 1.049 1.695 0.299) 2.016 14.162 ( -1.355 -4.392 -1.624) 4.875 15.069 ( -4.261 2.047 -19.506) 20.071 15.907 ( 3.238 -9.250 -1.186) 9.872 16.603 ( -21.654 14.393 21.409) 33.681 18.510 ( 10.641 7.825 -9.912) 16.514 19.074 ( -7.627 -4.515 -3.597) 9.565 19.670 ( 2.654 -0.330 3.583) 4.471 21.089 ( 4.001 0.054 2.628) 4.788 21.791 ( 2.812 -2.194 -0.700) 3.635 21.876 ( -0.365 -2.547 1.346) 2.904 ======================= Grid point 120 (46/141) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 7.122 14.249 -0.773) 15.948 2.306 ( -0.570 20.116 5.483) 20.858 2.538 ( -8.594 9.926 7.671) 15.206 3.082 ( -1.427 1.716 -7.526) 7.850 3.256 ( 7.682 -0.316 0.085) 7.689 3.499 ( 2.007 -2.916 -1.363) 3.793 3.764 ( -5.933 -2.230 -8.917) 10.941 3.834 ( -3.687 -0.312 -7.788) 8.622 4.056 ( -8.769 1.934 7.726) 11.846 4.222 ( -4.128 -6.647 -2.538) 8.226 4.269 ( -0.823 3.381 -0.817) 3.574 4.387 ( -0.238 -4.257 4.247) 6.018 4.565 ( -2.878 0.396 -1.074) 3.097 4.744 ( -5.011 -8.182 -2.948) 10.037 4.893 ( -7.688 7.573 6.303) 12.498 5.053 ( -3.235 -1.649 -0.788) 3.716 5.081 ( -1.879 -4.406 -2.314) 5.319 5.193 ( -2.143 -0.771 -2.802) 3.611 5.367 ( 3.411 -0.043 10.525) 11.064 5.413 ( 4.294 -5.050 -0.976) 6.700 5.644 ( -2.954 5.616 5.281) 8.256 5.687 ( -3.832 2.137 0.566) 4.424 5.847 ( 3.685 0.274 -5.368) 6.516 6.011 ( -0.921 5.982 2.021) 6.381 6.176 ( 2.455 2.176 1.728) 3.708 6.184 ( 2.834 1.629 3.079) 4.490 6.413 ( -3.169 -7.660 -2.210) 8.579 6.533 ( 3.698 -7.638 -4.559) 9.633 6.708 ( -1.354 -0.542 -2.188) 2.630 6.834 ( 7.166 -2.781 -3.630) 8.501 6.945 ( -2.027 -5.116 2.057) 5.875 7.078 ( -2.387 -2.049 6.399) 7.130 7.330 ( 3.290 0.724 -9.098) 9.702 7.461 ( -0.237 2.728 0.099) 2.740 7.805 ( -3.142 3.482 0.847) 4.765 7.946 ( -1.308 -2.705 5.254) 6.052 8.125 ( 6.661 3.132 2.454) 7.759 8.232 ( 2.983 -4.303 -0.546) 5.264 8.272 ( 4.619 -1.869 -4.640) 6.809 8.455 ( -1.199 4.314 3.947) 5.969 8.622 ( 9.524 6.046 -11.452) 16.076 8.867 ( -6.474 -1.399 9.443) 11.534 9.389 ( -8.028 -3.527 -7.021) 11.233 9.609 ( -7.510 -0.244 -1.161) 7.603 9.783 ( -2.010 0.323 4.405) 4.853 9.928 ( 1.433 -4.270 1.903) 4.890 10.270 ( 1.567 2.246 1.858) 3.309 10.454 ( -0.203 -2.273 7.565) 7.902 11.059 ( -0.418 -0.056 -3.404) 3.430 11.187 ( 0.172 2.616 -1.687) 3.118 11.512 ( 5.844 6.526 2.088) 9.005 11.959 ( -2.263 -2.148 -7.850) 8.448 12.224 ( -3.266 -3.543 -3.092) 5.725 12.589 ( -1.014 0.862 4.002) 4.217 13.403 ( 2.673 0.641 0.612) 2.816 13.502 ( 2.916 -1.824 6.191) 7.082 14.228 ( 3.182 -5.535 1.816) 6.638 14.853 ( -8.507 -0.739 -25.339) 26.739 16.007 ( -2.733 -8.239 3.941) 9.533 16.241 ( -17.437 12.401 11.794) 24.432 18.551 ( 1.411 0.213 1.104) 1.804 19.063 ( 4.579 -5.988 -9.443) 12.083 19.699 ( 0.924 4.504 5.457) 7.136 21.149 ( 3.810 1.708 1.130) 4.326 21.842 ( 2.726 0.126 -1.890) 3.319 21.897 ( -0.569 -1.678 2.473) 3.043 ======================= Grid point 121 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -10.914 20.550 -7.937) 24.585 2.092 ( -12.924 19.815 11.034) 26.104 2.477 ( 9.498 10.252 11.515) 18.108 2.909 ( -6.295 0.156 -16.664) 17.814 3.356 ( -11.512 5.051 6.899) 14.340 3.469 ( -19.011 4.168 4.444) 19.964 3.590 ( -6.303 0.524 0.305) 6.332 3.609 ( 1.243 -1.366 -11.531) 11.678 3.961 ( -7.375 0.611 3.960) 8.394 4.130 ( -4.982 0.881 -0.725) 5.111 4.273 ( -0.638 -1.420 -2.149) 2.653 4.403 ( -6.650 1.595 0.073) 6.839 4.546 ( 0.893 -1.216 -1.243) 1.955 4.690 ( -0.167 -0.587 1.495) 1.615 4.781 ( -0.963 4.315 1.460) 4.656 5.035 ( -1.332 -4.026 -4.379) 6.096 5.096 ( 2.105 -1.724 -1.020) 2.906 5.248 ( 1.069 1.279 2.311) 2.850 5.384 ( -4.140 -2.221 5.246) 7.042 5.538 ( 2.597 -9.308 1.578) 9.792 5.559 ( -3.122 5.677 0.147) 6.480 5.634 ( 3.008 -3.735 -1.316) 4.973 5.872 ( 0.177 -1.307 -2.668) 2.977 6.026 ( 3.372 -0.577 3.787) 5.104 6.201 ( 0.409 -2.623 -1.003) 2.837 6.286 ( 8.583 1.850 4.321) 9.785 6.433 ( -4.276 -10.354 -2.433) 11.463 6.542 ( 0.522 0.032 -8.855) 8.870 6.736 ( 0.314 -2.367 -0.411) 2.423 6.951 ( -0.386 -4.871 8.529) 9.830 6.995 ( 2.952 -3.399 -5.733) 7.290 7.086 ( -1.756 -1.825 4.745) 5.379 7.350 ( 5.193 -0.359 -7.181) 8.869 7.466 ( 4.338 0.189 -2.297) 4.912 7.749 ( -0.079 2.712 1.768) 3.238 7.968 ( -1.441 -1.960 4.055) 4.728 8.193 ( 4.721 4.461 2.211) 6.862 8.297 ( 1.512 -0.763 -2.165) 2.749 8.334 ( 4.051 4.329 -1.326) 6.075 8.430 ( 0.575 -0.144 2.810) 2.872 8.670 ( 6.582 0.295 -10.452) 12.356 8.857 ( -2.414 -2.305 7.689) 8.382 9.230 ( -10.981 -2.144 -5.264) 12.365 9.420 ( -13.774 1.008 -0.006) 13.811 9.798 ( 0.103 -0.789 3.652) 3.738 9.993 ( 1.483 -2.908 1.798) 3.727 10.288 ( 3.018 3.664 4.116) 6.283 10.549 ( 4.195 -3.001 5.987) 7.903 11.036 ( -0.680 -0.008 -2.833) 2.913 11.119 ( -3.448 1.182 -6.964) 7.860 11.550 ( 6.290 8.923 3.796) 11.558 11.877 ( -4.741 0.928 -5.360) 7.216 12.224 ( -2.718 -7.441 -1.453) 8.053 12.596 ( 0.575 0.284 3.038) 3.105 13.480 ( 5.414 -1.820 0.248) 5.717 13.549 ( -1.485 -2.012 2.185) 3.320 14.359 ( 3.608 -4.311 0.553) 5.649 14.596 ( -9.439 -4.590 -23.926) 26.127 15.894 ( -11.538 12.281 0.113) 16.852 16.036 ( -12.143 -8.102 13.742) 20.049 18.558 ( -7.297 -6.896 9.084) 13.540 19.235 ( 13.868 -8.942 -16.159) 23.096 19.675 ( 1.080 9.311 9.199) 13.133 21.195 ( 4.113 2.272 0.546) 4.730 21.851 ( 0.926 1.747 -1.952) 2.778 21.918 ( 1.137 0.670 1.931) 2.339 ======================= Grid point 122 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -15.046 25.677 -8.347) 30.909 1.730 ( -12.170 25.001 16.889) 32.533 2.495 ( -11.556 14.635 -0.677) 18.660 2.707 ( -11.168 8.345 9.173) 16.689 2.841 ( -14.272 -4.053 -19.559) 24.549 3.248 ( -18.959 1.887 -11.283) 22.143 3.487 ( 1.067 1.459 13.169) 13.293 3.717 ( -1.130 -3.006 0.252) 3.222 3.894 ( 3.211 4.126 7.170) 8.874 4.020 ( -7.100 3.337 0.175) 7.847 4.181 ( -9.904 4.116 -4.458) 11.614 4.263 ( -1.706 1.951 3.542) 4.389 4.574 ( -0.311 -0.474 -2.026) 2.104 4.738 ( -0.918 0.323 -0.503) 1.095 4.771 ( 4.456 0.668 2.415) 5.112 4.976 ( -1.350 3.570 -4.599) 5.976 5.178 ( -2.775 0.924 1.869) 3.471 5.269 ( 5.931 -2.931 3.937) 7.699 5.331 ( 1.327 2.001 3.839) 4.528 5.584 ( 2.320 -7.852 -1.698) 8.362 5.682 ( 3.777 -6.644 -2.789) 8.135 5.746 ( 4.913 -6.770 -5.449) 9.983 5.846 ( -3.042 -1.728 -2.315) 4.195 6.118 ( 3.485 -2.970 -0.858) 4.659 6.221 ( -1.024 -4.527 -0.268) 4.649 6.422 ( 4.311 -3.330 -0.425) 5.464 6.470 ( -0.694 -7.708 -0.587) 7.761 6.548 ( 4.465 -0.048 -2.898) 5.323 6.708 ( -4.890 -1.164 0.906) 5.108 6.980 ( 0.054 -0.025 -7.350) 7.350 7.061 ( 0.368 -7.800 7.825) 11.054 7.096 ( -2.658 -2.271 1.936) 3.996 7.428 ( 8.697 2.363 -3.700) 9.743 7.576 ( 6.832 -3.845 -0.316) 7.846 7.778 ( 4.657 0.883 2.413) 5.319 7.981 ( 0.810 0.781 1.348) 1.756 8.209 ( 1.395 4.012 2.133) 4.753 8.254 ( -4.135 4.845 2.012) 6.680 8.325 ( 3.399 6.052 -1.586) 7.120 8.454 ( -0.697 -0.267 1.017) 1.262 8.710 ( -0.916 -4.064 -1.245) 4.348 8.898 ( 1.255 -4.752 -3.831) 6.231 9.070 ( -7.678 -0.659 -2.674) 8.157 9.185 ( -12.674 2.182 -0.075) 12.861 9.813 ( -2.618 -1.211 4.615) 5.442 10.048 ( 1.096 -2.287 2.120) 3.305 10.361 ( 11.284 7.131 2.806) 13.640 10.667 ( 4.509 -1.982 0.716) 4.977 10.989 ( -6.926 -0.216 -12.241) 14.066 11.010 ( -1.455 0.297 -0.648) 1.620 11.572 ( 3.992 8.136 7.809) 11.963 11.769 ( -3.405 1.957 -3.648) 5.361 12.233 ( -7.540 -9.573 1.545) 12.284 12.628 ( 1.752 -0.017 2.030) 2.681 13.483 ( -4.816 -0.429 -3.373) 5.895 13.633 ( 6.880 -5.149 -2.613) 8.981 14.225 ( -11.207 -1.447 -19.000) 22.106 14.635 ( 6.714 -7.429 4.618) 11.027 15.606 ( -9.153 11.340 -0.856) 14.598 15.941 ( -17.284 -6.320 13.057) 22.565 18.551 ( -12.819 -13.007 14.723) 23.458 19.406 ( 3.893 -4.549 -15.300) 16.429 19.728 ( 13.327 5.493 9.242) 17.123 21.242 ( 4.178 1.838 -0.560) 4.599 21.828 ( -0.102 2.291 -1.371) 2.672 21.935 ( 2.941 3.138 -0.552) 4.336 ======================= Grid point 123 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -8.281 29.222 -2.899) 30.511 1.337 ( -19.564 23.981 15.479) 34.604 1.893 ( -22.949 30.460 27.360) 46.937 2.682 ( -1.423 -9.066 -30.870) 32.205 2.695 ( -2.579 -3.500 -0.020) 4.347 2.888 ( -10.164 7.873 -12.315) 17.803 3.568 ( 1.985 -0.011 6.329) 6.633 3.650 ( -7.145 -1.834 3.364) 8.108 3.863 ( -6.490 6.561 -3.424) 9.843 3.955 ( -2.900 4.501 1.040) 5.455 4.038 ( 7.195 6.684 5.905) 11.460 4.264 ( -1.257 1.470 9.848) 10.036 4.517 ( -4.951 -1.888 -2.546) 5.879 4.664 ( -2.807 4.106 -4.230) 6.529 4.839 ( 1.138 3.621 6.746) 7.741 4.924 ( 1.447 -0.705 -7.180) 7.358 5.151 ( -3.690 0.923 0.670) 3.862 5.266 ( 1.314 -0.690 1.223) 1.923 5.563 ( 10.027 -2.348 2.794) 10.670 5.663 ( 3.725 -2.983 -2.360) 5.324 5.743 ( 1.427 -3.382 -10.854) 11.458 5.773 ( -2.460 -2.579 -5.857) 6.857 5.888 ( 2.778 -10.024 -0.785) 10.431 6.135 ( -1.478 -3.437 -9.970) 10.648 6.292 ( 1.312 -5.097 4.394) 6.856 6.456 ( -2.860 -5.400 -4.871) 7.814 6.550 ( 2.341 -2.591 0.109) 3.494 6.581 ( -0.623 0.267 3.973) 4.030 6.724 ( 0.850 -7.099 1.604) 7.327 6.958 ( 0.492 -3.587 -6.321) 7.285 7.078 ( -0.785 1.280 3.613) 3.913 7.177 ( 1.314 -6.430 2.739) 7.111 7.546 ( 9.342 1.399 -1.144) 9.515 7.711 ( 3.046 -4.612 3.783) 6.697 7.883 ( 6.606 0.339 1.645) 6.816 7.985 ( 3.119 5.921 -3.682) 7.639 8.099 ( -7.435 5.900 4.209) 10.383 8.212 ( -0.944 1.238 0.823) 1.761 8.306 ( 1.094 4.983 -0.141) 5.103 8.451 ( 3.546 2.438 6.692) 7.956 8.715 ( -3.095 -6.627 -1.656) 7.499 8.916 ( -0.053 -1.930 -8.777) 8.987 8.959 ( -6.530 -0.014 1.094) 6.621 9.034 ( -2.469 2.531 0.534) 3.576 9.771 ( -6.385 -0.243 5.599) 8.496 10.091 ( 0.522 -1.061 2.240) 2.533 10.469 ( 11.384 12.961 -18.432) 25.246 10.716 ( 1.204 -0.752 -6.636) 6.787 10.822 ( -3.998 -2.434 -0.938) 4.774 10.973 ( -2.336 1.614 1.341) 3.140 11.622 ( 3.242 1.371 9.290) 9.935 11.709 ( 0.406 3.657 -0.421) 3.704 12.204 ( -10.661 -13.010 13.063) 21.297 12.655 ( 0.178 -0.011 0.956) 0.972 13.401 ( 0.044 0.919 -2.907) 3.049 13.772 ( 5.449 -5.283 -5.376) 9.301 14.085 ( 3.662 0.364 7.827) 8.649 14.854 ( 7.387 -8.014 4.356) 11.738 15.387 ( -4.513 9.336 -1.198) 10.439 15.734 ( -20.955 -2.544 10.194) 23.441 18.549 ( -18.965 -20.071 22.076) 35.353 19.344 ( -2.279 4.774 -4.401) 6.881 20.015 ( 16.591 -3.725 2.077) 17.130 21.267 ( 1.056 1.075 -5.236) 5.448 21.797 ( -0.143 2.141 -1.027) 2.379 21.933 ( 2.753 4.885 -6.931) 8.915 ======================= Grid point 124 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 8.578 13.545 16.774) 23.204 0.904 ( -7.110 19.854 23.206) 31.357 1.617 ( 3.348 31.592 44.448) 54.634 2.566 ( -4.237 -11.077 -31.397) 33.562 2.623 ( -1.426 1.870 -21.716) 21.843 2.815 ( 7.825 0.738 2.912) 8.382 3.567 ( -0.445 3.491 -9.033) 9.695 3.591 ( -1.282 4.861 -3.298) 6.012 3.702 ( -2.264 -5.137 7.234) 9.157 3.955 ( 1.677 5.346 4.260) 7.039 4.091 ( 3.950 8.263 9.327) 13.072 4.234 ( -4.421 1.035 5.854) 7.409 4.512 ( -0.521 -2.368 -1.190) 2.701 4.567 ( 2.291 5.821 -0.715) 6.296 4.794 ( -0.232 6.636 -0.077) 6.641 4.929 ( 0.445 2.065 -1.186) 2.423 5.031 ( -7.034 3.731 -3.772) 8.811 5.284 ( -0.868 -1.609 -3.161) 3.652 5.560 ( -1.375 2.483 -2.650) 3.883 5.695 ( -2.880 -3.879 -6.119) 7.796 5.772 ( 1.776 -3.081 -4.672) 5.871 5.829 ( 6.265 -1.396 -3.747) 7.432 6.064 ( 5.388 -11.135 -1.517) 12.463 6.077 ( -5.248 -5.277 -6.859) 10.121 6.336 ( -1.857 -3.295 3.305) 5.023 6.484 ( -1.300 4.237 2.843) 5.266 6.545 ( 1.564 -7.038 0.885) 7.264 6.637 ( -3.832 -7.061 4.852) 9.385 6.746 ( -3.221 -6.049 -5.128) 8.559 6.998 ( 2.183 3.811 -0.880) 4.479 7.117 ( 1.970 -3.768 7.163) 8.330 7.252 ( 1.699 -2.298 1.685) 3.318 7.633 ( 0.837 -2.184 -3.720) 4.394 7.785 ( 1.020 -1.099 1.796) 2.339 7.876 ( -6.107 3.038 3.269) 7.564 7.985 ( 5.159 2.418 -2.356) 6.165 8.032 ( -1.042 3.089 -0.481) 3.296 8.092 ( -2.336 2.859 -1.539) 4.000 8.234 ( -3.047 6.231 -0.574) 6.960 8.485 ( -4.426 4.996 -0.866) 6.730 8.823 ( 1.538 -7.158 0.642) 7.349 8.881 ( -0.158 0.923 -0.228) 0.963 8.955 ( 4.527 0.548 0.222) 4.566 9.087 ( 14.520 -4.030 0.751) 15.087 9.702 ( -3.987 1.117 6.243) 7.491 10.060 ( -2.405 4.057 -5.692) 7.391 10.290 ( -1.934 4.306 -5.951) 7.596 10.693 ( -2.041 -2.707 -7.515) 8.244 10.914 ( -0.654 2.195 0.541) 2.354 10.982 ( 12.106 1.248 -0.748) 12.193 11.662 ( -3.777 -0.417 1.545) 4.102 11.689 ( 1.885 1.189 0.387) 2.263 12.425 ( 6.721 -15.081 15.020) 22.321 12.639 ( -1.835 0.160 -0.613) 1.941 13.450 ( 0.371 -1.780 4.454) 4.810 13.835 ( 0.421 -3.548 -4.168) 5.489 14.870 ( 59.216 -31.426 22.455) 70.700 15.020 ( 1.754 -11.713 2.888) 12.191 15.355 ( 19.277 3.025 5.947) 20.399 15.463 ( -6.585 2.861 4.317) 8.378 18.548 ( -30.265 -31.600 34.620) 55.795 19.252 ( -0.646 5.515 -0.134) 5.554 20.279 ( 7.691 -4.902 4.160) 10.025 21.065 ( -16.428 16.741 -21.059) 31.521 21.771 ( -0.961 2.672 -2.307) 3.659 21.809 ( -2.539 8.671 -7.647) 11.837 ======================= Grid point 127 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 18.252 0.000 -9.118) 20.403 2.394 ( 25.400 0.000 10.876) 27.630 2.545 ( 20.354 0.000 3.017) 20.577 2.858 ( 16.024 0.000 -11.739) 19.863 3.066 ( 0.933 0.000 -8.149) 8.202 3.300 ( -2.423 -0.000 1.596) 2.901 3.496 ( 5.722 0.000 -5.228) 7.751 3.846 ( -7.092 -0.000 -4.508) 8.404 4.059 ( -7.239 -0.000 -2.923) 7.807 4.060 ( 14.617 0.000 5.122) 15.489 4.246 ( -1.895 -0.000 12.914) 13.052 4.383 ( 9.483 0.000 -3.505) 10.110 4.598 ( -6.497 -0.000 0.257) 6.503 4.675 ( -0.777 -0.000 -2.305) 2.432 4.954 ( 6.264 0.000 15.737) 16.938 5.108 ( 7.856 0.000 6.009) 9.891 5.222 ( 7.723 0.000 -4.592) 8.985 5.256 ( 1.965 0.000 2.998) 3.585 5.412 ( -9.290 -0.000 -8.319) 12.470 5.416 ( -3.987 -0.000 10.622) 11.345 5.617 ( -15.545 -0.000 0.344) 15.548 5.643 ( 6.371 0.000 -6.011) 8.759 5.869 ( 3.007 0.000 -0.981) 3.163 5.901 ( 3.687 0.000 -4.248) 5.625 6.190 ( -3.047 -0.000 0.677) 3.122 6.434 ( 1.516 0.000 1.131) 1.891 6.483 ( -8.528 -0.000 -9.288) 12.609 6.517 ( 0.102 0.000 10.745) 10.745 6.718 ( -11.958 -0.000 3.919) 12.583 6.942 ( 2.603 0.000 -11.641) 11.929 6.987 ( -6.319 -0.000 6.817) 9.295 7.077 ( -9.554 -0.000 -5.672) 11.111 7.244 ( 6.183 0.000 -2.443) 6.649 7.545 ( 0.022 0.000 -3.136) 3.136 7.748 ( 0.391 0.000 4.819) 4.835 7.807 ( 4.324 0.000 0.861) 4.409 8.146 ( -5.217 -0.000 0.767) 5.273 8.225 ( 0.581 0.000 -2.403) 2.472 8.248 ( -8.547 -0.000 0.286) 8.552 8.360 ( 2.411 0.000 4.848) 5.415 8.836 ( -2.749 -0.000 0.556) 2.804 9.069 ( 4.026 0.000 -6.776) 7.882 9.417 ( -6.922 -0.000 -0.452) 6.937 9.498 ( 8.615 0.000 -4.227) 9.596 9.649 ( 9.957 0.000 1.013) 10.009 9.975 ( -6.767 -0.000 2.606) 7.251 10.380 ( -3.292 -0.000 -3.394) 4.728 10.381 ( 0.870 0.000 7.429) 7.479 11.095 ( 6.745 0.000 3.433) 7.569 11.096 ( -1.142 -0.000 -2.391) 2.650 11.500 ( 0.344 0.000 4.819) 4.831 12.092 ( -4.921 -0.000 -16.182) 16.914 12.313 ( -0.320 -0.000 5.671) 5.680 12.655 ( -2.705 -0.000 3.833) 4.691 13.238 ( 0.474 0.000 0.212) 0.520 13.443 ( 0.862 0.000 -1.503) 1.733 14.182 ( -7.035 -0.000 -5.107) 8.693 15.252 ( -1.296 -0.000 -8.719) 8.815 15.653 ( 8.789 0.000 -10.027) 13.333 17.166 ( -34.439 -0.000 37.774) 51.117 18.794 ( 17.583 0.000 -39.365) 43.113 19.000 ( -13.575 -0.000 3.686) 14.066 19.543 ( 6.775 0.000 6.820) 9.613 20.954 ( 5.588 0.000 9.613) 11.119 21.694 ( 2.122 0.000 0.401) 2.160 21.819 ( 0.580 0.000 -0.308) 0.657 ======================= Grid point 128 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 15.805 16.663 -7.435) 24.140 2.757 ( 18.992 14.080 7.563) 24.822 2.819 ( 11.465 5.510 1.319) 12.789 2.979 ( 9.579 2.753 -4.291) 10.851 3.073 ( 8.484 -3.226 -14.861) 17.413 3.484 ( 1.740 -7.717 0.063) 7.911 3.510 ( 7.136 -11.814 4.784) 14.608 3.720 ( -8.170 -7.068 -5.325) 12.044 3.938 ( -5.955 0.093 -0.507) 5.977 4.229 ( 3.407 -1.593 -0.293) 3.773 4.305 ( -1.786 0.564 12.483) 12.623 4.376 ( -10.727 -5.916 0.511) 12.261 4.502 ( -4.404 0.177 0.438) 4.429 4.645 ( -0.663 0.154 -6.110) 6.148 5.088 ( -1.297 0.948 6.496) 6.691 5.160 ( -2.387 5.553 2.248) 6.449 5.237 ( -5.543 -0.262 3.365) 6.490 5.255 ( 3.695 -0.381 -3.407) 5.040 5.316 ( -0.008 1.180 0.246) 1.205 5.356 ( -11.152 1.351 -0.254) 11.237 5.489 ( 1.640 -2.156 13.220) 13.495 5.764 ( 10.812 -0.111 -6.890) 12.821 5.894 ( 1.826 2.702 -0.134) 3.264 5.983 ( 3.941 -5.129 -0.480) 6.486 6.175 ( 1.466 0.948 -3.090) 3.549 6.273 ( -12.251 -3.253 -9.652) 15.932 6.437 ( -4.381 3.326 2.423) 6.011 6.469 ( -2.575 2.173 3.779) 5.063 6.696 ( 2.527 -0.844 7.750) 8.195 6.865 ( -2.772 1.006 -7.295) 7.869 6.888 ( -4.928 4.580 -4.551) 8.123 6.999 ( -1.229 -3.347 3.272) 4.839 7.323 ( 3.193 -1.973 -3.329) 5.017 7.526 ( -0.256 1.051 -2.386) 2.620 7.807 ( 1.079 -3.762 3.519) 5.263 7.900 ( 6.121 1.139 0.236) 6.231 8.074 ( -5.254 -2.045 2.720) 6.260 8.154 ( -0.416 2.211 0.841) 2.402 8.198 ( -2.375 -1.648 -1.060) 3.079 8.456 ( 6.132 -0.068 1.064) 6.224 8.808 ( 1.418 5.183 3.366) 6.341 9.000 ( -4.797 5.168 -5.303) 8.822 9.346 ( -5.447 -7.488 -5.168) 10.604 9.599 ( 5.704 -0.166 -2.628) 6.283 9.770 ( 3.498 -1.342 1.562) 4.059 9.870 ( -7.886 0.205 4.827) 9.248 10.320 ( -1.808 1.202 -0.785) 2.308 10.410 ( -1.767 -0.457 6.776) 7.018 11.070 ( -0.491 -0.522 -4.364) 4.422 11.213 ( 5.854 1.384 3.194) 6.811 11.552 ( 3.964 2.322 6.223) 7.735 11.937 ( -3.962 -2.829 -16.515) 17.217 12.288 ( -4.419 0.680 0.053) 4.472 12.625 ( -2.815 0.504 3.803) 4.758 13.334 ( 6.765 -0.701 6.981) 9.746 13.440 ( 0.447 1.037 -1.968) 2.269 14.089 ( -3.083 -2.307 -2.193) 4.432 15.120 ( -7.501 2.138 -12.150) 14.438 15.758 ( 5.840 -4.736 -6.424) 9.890 16.802 ( -26.553 5.273 24.101) 36.245 18.714 ( 0.654 11.632 -7.942) 14.100 18.944 ( -0.766 -8.783 -14.684) 17.127 19.681 ( 6.326 0.707 6.959) 9.431 21.083 ( 5.407 -0.388 5.083) 7.431 21.745 ( 3.018 -1.637 0.496) 3.469 21.832 ( 0.258 -1.421 0.195) 1.457 ======================= Grid point 129 (53/141) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 4.674 16.811 -4.135) 17.932 2.735 ( 2.417 15.192 1.636) 15.470 2.789 ( 0.635 22.296 9.134) 24.103 3.142 ( 6.721 3.954 -7.047) 10.510 3.231 ( 14.912 -2.192 -4.292) 15.672 3.484 ( 1.632 1.105 -3.845) 4.321 3.676 ( -3.621 -7.202 -3.697) 8.868 3.816 ( -4.345 -3.083 -0.038) 5.328 3.926 ( 7.494 -10.996 5.008) 14.218 4.214 ( -9.317 1.875 3.228) 10.037 4.264 ( -10.607 -4.359 0.493) 11.479 4.298 ( 1.602 -4.466 1.853) 5.094 4.480 ( -3.133 -9.990 1.687) 10.605 4.587 ( -1.106 0.411 -5.744) 5.864 4.977 ( -7.867 -1.818 -0.421) 8.085 5.047 ( -9.306 4.231 8.986) 13.610 5.077 ( -10.863 2.392 -5.542) 12.427 5.198 ( -5.278 0.109 -0.238) 5.285 5.334 ( 2.289 0.515 -5.908) 6.357 5.386 ( 5.728 -1.130 8.859) 10.610 5.606 ( 0.689 -3.708 12.012) 12.590 5.824 ( -1.484 6.295 -5.188) 8.291 5.874 ( 1.822 1.274 -5.810) 6.221 6.064 ( 0.283 -1.781 2.062) 2.739 6.124 ( -5.788 -12.611 -7.876) 15.956 6.157 ( -3.456 2.773 -1.804) 4.784 6.361 ( -1.285 2.653 4.212) 5.141 6.486 ( 4.789 1.356 2.934) 5.778 6.714 ( -2.976 2.899 -0.039) 4.154 6.818 ( 3.725 0.096 -4.932) 6.182 6.852 ( 2.102 -3.420 -1.938) 4.458 7.045 ( 0.868 -1.857 5.286) 5.669 7.338 ( 0.555 -0.002 -5.872) 5.899 7.505 ( 0.213 1.003 -0.803) 1.302 7.859 ( 0.665 -0.090 1.477) 1.623 7.915 ( -1.370 2.332 1.620) 3.153 8.081 ( 0.359 -5.003 2.604) 5.651 8.200 ( 0.262 -3.557 -1.441) 3.846 8.231 ( 9.882 0.912 0.801) 9.956 8.530 ( 3.395 3.043 1.204) 4.715 8.782 ( 3.786 9.137 -8.880) 13.291 8.859 ( -7.194 0.459 9.675) 12.065 9.297 ( -5.944 -5.806 -7.623) 11.276 9.605 ( -5.739 -0.067 -1.506) 5.934 9.784 ( -2.850 -0.340 3.263) 4.345 9.845 ( 0.955 -3.415 3.935) 5.297 10.307 ( 1.379 1.390 2.566) 3.227 10.418 ( -1.557 -1.297 7.677) 7.940 11.048 ( 0.056 -0.720 -6.188) 6.230 11.243 ( -0.623 2.572 -1.595) 3.090 11.632 ( 7.142 5.207 5.542) 10.432 11.897 ( 1.937 -3.745 -9.440) 10.339 12.181 ( -7.659 -1.003 -2.691) 8.180 12.599 ( -1.870 0.262 3.274) 3.780 13.420 ( 0.846 1.025 -0.859) 1.583 13.474 ( 3.355 -1.114 6.079) 7.032 14.124 ( 3.402 -4.377 1.807) 5.830 14.871 ( -12.380 1.910 -15.721) 20.101 15.850 ( 0.545 -6.482 -0.893) 6.566 16.450 ( -20.503 7.709 11.469) 24.725 18.582 ( -7.583 2.341 4.600) 9.173 18.980 ( 9.033 -2.655 -18.559) 20.811 19.784 ( 4.399 3.477 8.453) 10.144 21.175 ( 4.769 1.035 1.337) 5.059 21.819 ( 3.570 -1.968 -0.245) 4.083 21.854 ( -0.102 -2.036 1.195) 2.363 ======================= Grid point 130 (54/141) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -6.429 17.312 -5.475) 19.262 2.524 ( -5.558 24.045 8.347) 26.052 2.731 ( 5.258 12.546 13.860) 19.420 2.991 ( -6.262 9.306 -13.703) 17.709 3.440 ( 3.982 3.436 3.735) 6.451 3.484 ( -0.989 -1.520 -2.497) 3.086 3.573 ( -13.189 -0.233 1.190) 13.244 3.693 ( -6.618 6.765 -7.448) 12.043 3.991 ( -5.241 2.698 7.945) 9.893 4.079 ( -2.747 -5.867 -2.236) 6.853 4.252 ( 0.749 -1.478 1.737) 2.401 4.377 ( -2.302 -3.712 -1.490) 4.615 4.517 ( 1.515 -2.765 -4.618) 5.592 4.633 ( 1.510 -5.246 1.040) 5.557 4.857 ( -6.050 1.452 -3.050) 6.929 4.933 ( -3.886 -1.343 5.439) 6.818 5.032 ( 3.397 -10.414 -2.766) 11.298 5.103 ( -4.876 -2.569 -0.306) 5.519 5.365 ( 1.331 -4.630 0.526) 4.846 5.501 ( 1.677 0.938 6.176) 6.468 5.641 ( -5.833 6.896 -2.056) 9.264 5.659 ( -3.562 0.573 4.872) 6.062 5.848 ( -0.837 -1.010 -2.829) 3.118 6.037 ( -3.387 2.431 1.064) 4.303 6.105 ( -0.987 -6.466 -5.639) 8.636 6.170 ( -3.047 -12.526 -6.017) 14.226 6.345 ( -0.023 1.658 5.329) 5.581 6.565 ( 3.850 2.604 -6.189) 7.741 6.666 ( -1.251 -3.778 1.815) 4.374 6.872 ( -1.243 -2.972 8.779) 9.351 6.953 ( 9.645 -1.577 -8.344) 12.851 7.091 ( 1.028 1.086 3.255) 3.582 7.315 ( 1.632 -0.972 -7.268) 7.512 7.514 ( 3.103 2.183 1.209) 3.982 7.828 ( 0.414 4.577 -1.217) 4.754 7.909 ( -2.285 -2.493 5.572) 6.518 8.182 ( 2.902 -6.449 0.661) 7.102 8.241 ( 1.789 -2.385 -2.893) 4.155 8.381 ( 8.842 1.954 0.248) 9.058 8.508 ( -1.299 5.805 4.107) 7.228 8.717 ( 2.636 3.524 -8.127) 9.242 8.833 ( -3.168 -0.471 7.360) 8.027 9.186 ( -8.581 -2.296 -6.086) 10.768 9.441 ( -11.951 1.135 -0.476) 12.014 9.778 ( -1.040 -1.322 2.167) 2.743 9.924 ( 1.645 -3.714 3.278) 5.219 10.350 ( 3.873 2.781 6.896) 8.384 10.496 ( 4.554 -2.448 7.329) 8.969 11.023 ( -0.180 -0.882 -7.341) 7.396 11.151 ( -4.738 1.641 -6.968) 8.585 11.716 ( 6.749 7.399 6.169) 11.763 11.897 ( -1.879 1.065 -5.039) 5.482 12.090 ( -5.141 -5.962 -0.972) 7.932 12.596 ( -0.131 -0.228 2.354) 2.369 13.443 ( 2.529 -1.940 -1.298) 3.441 13.521 ( -1.230 -0.706 2.680) 3.032 14.274 ( 6.849 -4.162 4.369) 9.128 14.562 ( -13.913 0.618 -16.696) 21.742 15.882 ( -5.532 -6.177 3.971) 9.194 16.113 ( -16.171 8.561 3.679) 18.663 18.472 ( -10.210 -2.328 8.735) 13.637 19.110 ( 14.145 -4.178 -19.643) 24.564 19.837 ( 2.910 6.777 11.682) 13.816 21.233 ( 4.292 1.829 -0.680) 4.715 21.862 ( 0.479 -0.440 -0.639) 0.911 21.899 ( 2.468 -1.995 0.869) 3.291 ======================= Grid point 131 (55/141) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -9.969 24.381 -4.211) 26.675 2.226 ( -8.554 24.704 11.925) 28.735 2.721 ( -3.016 7.518 6.234) 10.222 2.751 ( -5.710 2.357 -18.574) 19.574 3.040 ( -25.714 18.186 0.974) 31.511 3.339 ( -10.352 7.498 -0.446) 12.790 3.463 ( -7.449 -4.344 12.047) 14.815 3.717 ( 7.765 4.625 -3.059) 9.542 3.970 ( 2.244 2.567 4.804) 5.891 4.074 ( -0.371 2.004 0.987) 2.265 4.242 ( -8.647 1.900 -2.742) 9.268 4.301 ( 3.287 1.691 1.020) 3.834 4.551 ( 0.209 -1.422 -4.631) 4.849 4.681 ( -1.592 -3.052 2.570) 4.295 4.799 ( 0.647 0.317 -0.901) 1.154 4.945 ( 0.421 -6.318 -4.816) 7.955 5.168 ( 9.131 -5.563 3.828) 11.356 5.257 ( 3.883 -6.674 -0.466) 7.735 5.328 ( -9.090 6.051 6.776) 12.851 5.488 ( 1.188 -6.153 -1.917) 6.553 5.559 ( -0.428 2.360 -1.118) 2.646 5.648 ( 2.503 -3.874 -1.178) 4.761 5.824 ( -3.393 -1.129 -1.894) 4.047 6.029 ( -2.790 -8.267 2.213) 9.001 6.121 ( -1.528 -5.410 -7.223) 9.153 6.203 ( -2.614 -11.203 -4.025) 12.187 6.388 ( -0.123 -4.591 4.610) 6.507 6.551 ( 3.775 1.432 -10.532) 11.279 6.680 ( -4.004 -2.687 3.634) 6.038 6.934 ( 0.615 -4.527 0.976) 4.672 7.025 ( 3.344 3.366 -4.004) 6.209 7.091 ( -0.050 1.505 4.218) 4.479 7.394 ( 8.247 -4.344 -4.292) 10.262 7.576 ( 6.052 2.664 3.029) 7.273 7.812 ( 1.967 1.427 0.047) 2.431 7.945 ( 1.206 -2.625 5.050) 5.818 8.235 ( -1.980 -2.314 -2.992) 4.269 8.274 ( -0.054 -2.320 -1.193) 2.609 8.448 ( 0.323 2.541 5.805) 6.345 8.459 ( 0.960 5.398 1.530) 5.692 8.683 ( -2.248 0.696 -2.855) 3.700 8.844 ( 2.476 -1.136 -2.188) 3.494 9.049 ( -7.094 -1.264 -2.207) 7.536 9.233 ( -10.431 2.763 -0.830) 10.823 9.783 ( -2.207 -1.798 2.852) 4.029 9.989 ( 0.630 -3.366 2.594) 4.296 10.459 ( 8.495 2.861 8.507) 12.358 10.641 ( 7.804 -0.428 2.587) 8.233 10.974 ( -3.099 -0.807 -14.285) 14.639 11.027 ( -3.674 0.864 -2.937) 4.782 11.701 ( -4.885 3.814 3.356) 7.048 11.847 ( 4.410 6.305 -0.481) 7.709 12.075 ( -7.578 -6.317 4.008) 10.649 12.621 ( 1.328 -0.658 1.333) 1.994 13.479 ( -3.630 -0.977 -2.432) 4.477 13.530 ( 4.507 -3.964 -1.827) 6.274 14.231 ( -10.374 1.621 -11.257) 15.393 14.505 ( 6.696 -5.752 5.339) 10.316 15.796 ( -11.292 4.881 -2.080) 12.476 15.845 ( -11.505 -0.487 8.924) 14.569 18.387 ( -10.980 -4.736 11.470) 16.569 19.288 ( 12.728 -6.273 -21.870) 26.071 19.878 ( 4.131 7.992 16.223) 18.551 21.272 ( 3.622 1.645 -2.143) 4.518 21.858 ( -0.480 0.721 -0.163) 0.881 21.952 ( 2.552 -0.733 -1.421) 3.012 ======================= Grid point 132 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -5.559 29.262 -1.443) 29.821 1.822 ( -18.440 25.054 6.656) 31.813 2.503 ( -8.220 25.760 13.025) 30.013 2.560 ( -4.935 3.141 -20.899) 21.703 2.631 ( -8.497 -2.179 -4.304) 9.772 3.108 ( -4.764 13.243 -0.954) 14.106 3.477 ( -6.539 -6.882 12.851) 15.977 3.704 ( 0.104 4.761 -0.351) 4.775 3.976 ( -4.693 2.496 -4.050) 6.683 4.046 ( 1.584 6.679 7.327) 10.040 4.182 ( 10.206 6.967 1.359) 12.431 4.331 ( 2.634 5.765 3.435) 7.209 4.481 ( -6.285 -1.367 -5.318) 8.346 4.678 ( -3.071 -3.073 -1.287) 4.531 4.847 ( 3.612 -0.581 3.199) 4.859 4.976 ( -1.573 2.272 -2.665) 3.839 5.121 ( -4.649 -1.439 3.516) 6.004 5.294 ( -3.480 2.636 4.486) 6.260 5.457 ( 11.723 -7.503 2.860) 14.210 5.555 ( 4.853 -7.797 -3.895) 9.976 5.672 ( 4.649 -6.137 -4.574) 8.955 5.696 ( -0.765 -4.516 -7.706) 8.964 5.747 ( -5.366 -2.080 -0.196) 5.758 6.073 ( -2.047 -5.144 -11.608) 12.861 6.128 ( -1.296 -10.544 1.168) 10.688 6.274 ( -0.523 -10.362 -2.158) 10.597 6.453 ( -2.180 -7.295 4.446) 8.817 6.566 ( 2.918 -1.934 -8.182) 8.899 6.651 ( -1.830 -0.582 0.363) 1.954 6.930 ( 1.128 -0.026 -10.801) 10.860 7.050 ( 0.375 -2.810 4.264) 5.120 7.116 ( 0.583 0.391 7.215) 7.249 7.562 ( 8.825 -1.694 -1.117) 9.055 7.661 ( 3.723 0.915 5.411) 6.632 7.867 ( 3.952 -2.290 1.630) 4.849 8.051 ( 6.810 0.065 1.474) 6.968 8.162 ( -8.657 -1.548 -0.661) 8.819 8.232 ( -3.580 2.908 0.323) 4.624 8.412 ( -0.320 4.549 -0.457) 4.583 8.451 ( -1.407 -0.275 9.713) 9.818 8.633 ( -1.508 -1.700 -4.824) 5.333 8.893 ( 3.918 -0.346 -4.401) 5.902 8.965 ( -4.553 -0.002 0.771) 4.618 9.084 ( -3.268 3.063 -1.242) 4.648 9.760 ( -4.324 -0.785 4.314) 6.158 10.045 ( 0.598 -3.228 3.064) 4.491 10.558 ( -1.120 -1.938 -6.668) 7.034 10.788 ( -7.833 0.708 -11.576) 13.995 10.803 ( 17.514 6.130 -5.636) 19.393 10.999 ( -0.956 1.020 2.424) 2.799 11.624 ( -2.824 -0.880 3.382) 4.493 11.832 ( -0.023 7.914 -0.931) 7.968 12.028 ( -7.506 -5.398 15.690) 18.212 12.648 ( 0.251 -0.697 0.262) 0.786 13.422 ( -0.300 1.074 -2.418) 2.663 13.646 ( 4.169 -6.891 -3.662) 8.848 14.096 ( 0.444 0.775 3.769) 3.873 14.698 ( 5.256 -7.560 4.465) 10.233 15.560 ( -7.380 7.690 -1.771) 10.804 15.708 ( -11.999 0.210 7.578) 14.193 18.320 ( -12.125 -5.789 14.966) 20.113 19.380 ( 5.423 -2.041 -18.462) 19.350 19.998 ( 7.728 2.495 15.933) 17.883 21.287 ( 1.499 1.235 -4.708) 5.093 21.835 ( -0.661 1.576 -0.237) 1.725 21.975 ( 1.469 0.288 -4.801) 5.029 ======================= Grid point 133 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 5.438 32.058 -1.700) 32.561 1.342 ( -8.353 23.759 11.780) 27.803 2.270 ( 2.206 33.572 31.965) 46.408 2.377 ( -4.096 -4.729 -26.972) 27.688 2.615 ( 7.433 -3.634 -18.554) 20.315 2.929 ( -1.528 10.493 2.057) 10.802 3.521 ( -2.765 -6.533 11.861) 13.821 3.673 ( 2.825 5.114 -3.689) 6.910 3.784 ( -5.884 8.720 -4.724) 11.532 4.082 ( 4.675 6.337 5.502) 9.606 4.227 ( -5.878 6.177 1.369) 8.636 4.303 ( 4.883 6.610 5.126) 9.686 4.451 ( 4.120 -2.588 0.670) 4.911 4.643 ( -0.820 0.126 -2.702) 2.827 4.887 ( -2.050 2.279 1.424) 3.380 4.933 ( 2.346 0.006 1.735) 2.918 5.108 ( -2.235 2.564 -1.934) 3.913 5.250 ( -2.369 -0.841 3.229) 4.092 5.575 ( -6.933 -1.978 -5.432) 9.027 5.632 ( 0.434 -1.583 -6.710) 6.908 5.675 ( 0.666 -6.801 -0.679) 6.867 5.786 ( 8.269 -4.452 -5.025) 10.651 5.815 ( 1.583 -13.504 0.570) 13.609 5.994 ( -3.753 -2.190 -12.722) 13.443 6.199 ( -1.092 -9.007 -3.661) 9.783 6.393 ( 3.195 -8.880 2.603) 9.790 6.487 ( -6.215 -7.704 3.123) 10.380 6.550 ( -3.717 -0.429 0.069) 3.742 6.643 ( 1.502 -1.624 -10.495) 10.725 6.977 ( 5.249 -2.976 2.108) 6.391 7.105 ( 0.597 -1.821 2.689) 3.302 7.164 ( 1.545 -4.021 2.990) 5.244 7.633 ( 0.396 2.112 -1.139) 2.432 7.722 ( -1.289 -3.303 5.688) 6.702 7.976 ( -4.397 1.702 2.284) 5.239 8.001 ( 1.810 1.211 -0.986) 2.391 8.083 ( -3.278 2.271 -1.145) 4.149 8.164 ( 3.064 3.305 -1.758) 4.837 8.351 ( -2.236 4.877 0.573) 5.396 8.537 ( -1.861 0.086 6.582) 6.841 8.656 ( 4.918 -7.358 -0.378) 8.858 8.911 ( -0.871 1.967 -0.458) 2.199 8.948 ( 5.568 -1.103 -1.295) 5.822 9.056 ( 2.343 0.531 -0.074) 2.404 9.723 ( -2.218 0.918 5.352) 5.865 10.080 ( -1.994 -1.413 1.917) 3.106 10.362 ( -9.532 1.470 -16.996) 19.542 10.644 ( -3.496 -1.496 -9.655) 10.377 10.971 ( -0.775 3.082 0.916) 3.308 11.035 ( 15.602 4.306 -3.778) 16.620 11.648 ( -1.169 -1.079 2.678) 3.115 11.727 ( -1.416 2.513 0.835) 3.003 12.178 ( 5.891 -8.270 22.750) 24.913 12.638 ( -1.832 -0.405 -1.212) 2.234 13.430 ( 0.507 -0.364 1.433) 1.563 13.735 ( 0.587 -6.391 -4.328) 7.741 14.420 ( 29.253 -13.865 22.414) 39.375 14.809 ( -6.096 -10.253 0.517) 11.940 15.456 ( 6.522 5.706 2.424) 8.998 15.553 ( -6.149 5.739 3.661) 9.173 18.250 ( -14.373 -5.635 19.174) 24.617 19.350 ( 1.373 2.927 -10.517) 11.003 20.184 ( 4.502 -3.457 12.931) 14.122 21.220 ( -3.720 3.712 -10.731) 11.949 21.808 ( -0.391 1.735 -0.703) 1.913 21.930 ( -1.447 3.263 -7.981) 8.743 ======================= Grid point 134 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 14.309 15.807 10.198) 23.635 1.357 ( 20.894 17.827 18.010) 32.844 2.216 ( 0.160 -1.788 -17.021) 17.115 2.285 ( 12.026 19.126 15.742) 27.536 2.635 ( 6.346 8.506 -13.931) 17.513 3.015 ( 17.370 -2.234 2.378) 17.674 3.569 ( 1.469 7.341 -12.382) 14.469 3.657 ( 0.126 -6.336 11.971) 13.545 3.686 ( 2.111 5.640 -2.713) 6.605 3.992 ( -2.019 6.466 -0.504) 6.792 4.236 ( 4.565 1.996 9.577) 10.796 4.327 ( 3.963 4.051 7.023) 9.024 4.522 ( 0.268 2.894 -6.499) 7.120 4.659 ( 6.429 1.012 1.680) 6.721 4.846 ( -0.577 1.835 -2.753) 3.358 4.908 ( -5.655 6.063 3.324) 8.932 5.023 ( 2.702 5.783 -1.881) 6.655 5.223 ( -3.006 -1.133 -1.855) 3.710 5.488 ( -5.569 -3.854 0.247) 6.777 5.606 ( -1.543 -2.522 -5.098) 5.893 5.718 ( -0.154 -6.294 -5.237) 8.190 5.864 ( -6.965 -8.244 -5.752) 12.229 5.885 ( 3.799 2.274 -5.996) 7.453 6.019 ( 0.989 -13.652 0.086) 13.688 6.280 ( 0.990 -5.522 1.197) 5.737 6.402 ( -8.876 -1.945 3.824) 9.858 6.489 ( -3.744 -2.700 -2.242) 5.132 6.541 ( 0.762 -9.753 -2.151) 10.017 6.666 ( 4.052 -2.980 -4.977) 7.076 7.032 ( -3.936 0.450 7.183) 8.203 7.134 ( -0.633 -1.318 5.841) 6.022 7.281 ( 4.789 -2.195 -1.964) 5.622 7.563 ( -5.109 0.421 -2.821) 5.851 7.736 ( -3.354 -4.884 -0.155) 5.926 7.820 ( -6.519 3.168 2.805) 7.772 7.920 ( -7.014 1.926 -1.064) 7.351 8.097 ( 4.510 6.253 -0.120) 7.710 8.224 ( 1.662 4.570 -0.288) 4.871 8.346 ( 13.198 2.317 0.549) 13.411 8.449 ( -6.472 3.608 4.889) 8.877 8.739 ( -3.996 -4.898 -3.144) 7.059 8.923 ( 4.941 0.562 -0.778) 5.033 9.049 ( 6.268 0.183 0.477) 6.289 9.170 ( 5.056 -7.246 -0.487) 8.849 9.722 ( -0.394 2.712 3.821) 4.702 10.017 ( -1.754 0.467 -3.461) 3.908 10.256 ( -1.435 -1.920 1.491) 2.823 10.572 ( -3.792 -4.041 -8.609) 10.239 10.933 ( 0.577 3.215 -0.955) 3.403 11.144 ( 5.789 3.213 -3.884) 7.676 11.600 ( -3.928 0.847 2.687) 4.834 11.774 ( 6.205 1.361 1.941) 6.643 12.469 ( 5.481 -10.155 9.468) 14.927 12.590 ( -3.428 -0.280 -2.276) 4.124 13.433 ( -1.785 -0.983 2.420) 3.164 13.731 ( -5.949 -4.592 -4.676) 8.851 14.699 ( -16.115 -9.048 -3.819) 18.872 15.134 ( 11.840 -15.032 -1.536) 19.197 15.449 ( 3.994 9.430 0.173) 10.242 16.088 ( 52.093 -41.785 20.967) 69.995 18.146 ( -16.676 -3.075 21.814) 27.630 19.302 ( 1.593 3.244 -3.923) 5.333 20.252 ( -9.729 -1.181 9.382) 13.567 20.968 ( -5.415 15.607 -15.580) 22.708 21.765 ( -1.516 3.803 -3.160) 5.172 21.833 ( 0.187 4.714 -1.861) 5.071 ======================= Grid point 138 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -3.599 -0.000 -2.416) 4.335 2.918 ( 0.973 0.000 -13.242) 13.278 3.151 ( 6.896 0.000 5.707) 8.951 3.188 ( 9.053 0.000 1.467) 9.171 3.219 ( 22.860 0.000 -5.983) 23.630 3.435 ( -0.562 -0.000 5.362) 5.391 3.557 ( 9.480 0.000 -3.993) 10.287 3.708 ( 4.637 0.000 4.338) 6.350 3.875 ( -3.207 -0.000 3.989) 5.118 4.079 ( -10.719 -0.000 -1.190) 10.785 4.235 ( -0.096 -0.000 -1.191) 1.195 4.307 ( -8.439 -0.000 7.973) 11.610 4.409 ( -8.837 -0.000 1.742) 9.007 4.595 ( -0.199 -0.000 -7.290) 7.292 4.957 ( -9.859 -0.000 -2.541) 10.181 5.070 ( -15.511 -0.000 10.309) 18.625 5.122 ( -8.543 -0.000 -6.738) 10.880 5.219 ( -4.543 -0.000 2.264) 5.076 5.328 ( 4.933 0.000 -3.964) 6.328 5.373 ( 1.913 0.000 8.385) 8.600 5.595 ( 2.877 0.000 9.414) 9.844 5.848 ( -5.781 -0.000 -11.609) 12.969 5.897 ( 3.332 0.000 -7.330) 8.052 5.962 ( -1.705 -0.000 0.722) 1.851 6.042 ( -3.501 -0.000 -4.803) 5.944 6.226 ( 1.819 0.000 0.597) 1.915 6.351 ( -6.709 -0.000 5.142) 8.453 6.517 ( 2.344 0.000 0.506) 2.398 6.745 ( -1.823 -0.000 8.251) 8.450 6.800 ( 3.794 0.000 -0.289) 3.805 6.877 ( -1.537 -0.000 -13.235) 13.324 7.009 ( 3.627 0.000 4.959) 6.144 7.327 ( 0.169 0.000 -0.472) 0.502 7.514 ( 0.178 0.000 -3.415) 3.419 7.843 ( 3.638 0.000 0.245) 3.647 7.986 ( -5.715 -0.000 2.815) 6.370 8.009 ( 6.938 0.000 -1.385) 7.075 8.139 ( -2.830 -0.000 1.140) 3.051 8.249 ( 8.947 0.000 1.811) 9.129 8.562 ( 5.716 0.000 -0.140) 5.718 8.856 ( -4.186 -0.000 11.900) 12.615 8.917 ( -5.276 -0.000 -9.441) 10.816 9.210 ( -1.839 -0.000 -8.027) 8.235 9.605 ( -5.006 -0.000 -1.656) 5.273 9.775 ( -1.800 -0.000 1.248) 2.190 9.813 ( -1.189 -0.000 6.481) 6.589 10.321 ( 1.627 0.000 2.736) 3.184 10.405 ( -2.362 -0.000 7.667) 8.022 11.040 ( 0.449 0.000 -7.102) 7.116 11.271 ( -1.238 -0.000 -1.641) 2.056 11.692 ( 6.429 0.000 9.500) 11.471 11.848 ( 4.596 0.000 -12.774) 13.576 12.173 ( -9.158 -0.000 -2.680) 9.542 12.601 ( -2.199 -0.000 3.008) 3.726 13.435 ( -0.439 -0.000 -2.495) 2.533 13.460 ( 3.952 0.000 6.830) 7.891 14.078 ( 3.782 0.000 2.381) 4.469 14.896 ( -14.245 -0.000 -11.657) 18.406 15.782 ( 2.888 0.000 -4.031) 4.959 16.526 ( -22.078 -0.000 12.169) 25.209 18.611 ( -13.423 -0.000 7.136) 15.202 18.954 ( 13.037 0.000 -23.767) 27.107 19.819 ( 5.196 0.000 9.544) 10.866 21.186 ( 5.345 0.000 1.837) 5.652 21.795 ( 3.755 0.000 0.586) 3.801 21.832 ( 0.418 0.000 0.453) 0.617 ======================= Grid point 139 (60/141) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -7.639 6.377 -0.498) 9.963 2.840 ( -2.337 4.230 -6.663) 8.231 3.002 ( -6.182 16.860 7.645) 19.518 3.180 ( -11.247 2.594 0.174) 11.544 3.429 ( -5.283 1.932 1.126) 5.737 3.580 ( 5.053 1.274 -0.836) 5.278 3.606 ( 5.780 9.039 2.006) 10.915 3.751 ( 5.935 -2.183 -1.092) 6.417 3.914 ( 7.191 -6.669 3.560) 10.433 4.100 ( -8.990 5.200 -2.560) 10.696 4.200 ( 6.352 -3.151 1.196) 7.191 4.290 ( -1.233 -4.404 -0.230) 4.579 4.337 ( 0.671 -10.667 4.152) 11.466 4.591 ( 3.332 0.346 -4.766) 5.825 4.836 ( -5.916 -1.661 -0.557) 6.170 4.880 ( -8.517 -2.061 0.895) 8.808 4.995 ( -5.012 0.965 3.946) 6.451 5.117 ( -6.730 4.750 -2.789) 8.696 5.305 ( -1.759 -2.635 -10.982) 11.430 5.462 ( 0.096 -2.297 12.744) 12.950 5.613 ( -3.045 -0.886 3.837) 4.978 5.707 ( -7.273 -8.399 -6.250) 12.748 5.840 ( -4.111 5.663 -1.510) 7.159 5.938 ( -3.519 -4.459 -6.007) 8.267 6.067 ( 5.044 -1.509 -5.248) 7.434 6.162 ( -4.021 6.350 0.533) 7.535 6.317 ( -4.769 -3.648 4.212) 7.335 6.580 ( 2.337 -0.761 6.158) 6.630 6.689 ( -4.264 4.703 -2.194) 6.717 6.800 ( -1.684 -4.239 -1.650) 4.850 6.946 ( 11.782 0.577 -3.040) 12.181 7.097 ( 3.522 -0.299 3.560) 5.017 7.321 ( 0.018 0.516 -1.696) 1.773 7.519 ( 2.450 -0.731 -2.621) 3.662 7.894 ( -3.930 1.840 3.058) 5.309 7.908 ( 3.835 1.086 -3.805) 5.510 8.093 ( 2.218 -0.716 2.662) 3.538 8.157 ( 1.237 -5.245 -1.676) 5.643 8.408 ( 9.507 0.634 0.585) 9.546 8.605 ( 0.099 3.163 2.385) 3.963 8.781 ( -4.218 2.665 0.516) 5.015 8.823 ( -4.006 -0.962 2.646) 4.897 9.149 ( -4.236 -1.198 -7.764) 8.925 9.461 ( -10.246 0.682 -1.185) 10.337 9.752 ( -1.528 -0.994 0.452) 1.878 9.866 ( 1.516 -1.724 5.641) 6.090 10.402 ( 4.278 2.555 8.184) 9.581 10.450 ( 4.902 -2.366 8.029) 9.700 11.010 ( 0.422 -0.338 -9.487) 9.502 11.174 ( -6.239 0.630 -7.433) 9.725 11.821 ( 5.077 2.995 10.246) 11.821 11.915 ( 4.146 0.578 -5.552) 6.954 12.003 ( -8.248 -2.565 -2.729) 9.059 12.591 ( -0.588 -0.190 1.958) 2.053 13.413 ( -0.672 -0.841 -2.352) 2.587 13.516 ( 0.317 -0.021 3.244) 3.260 14.214 ( 8.463 -1.679 5.604) 10.288 14.585 ( -16.131 0.975 -11.938) 20.092 15.796 ( -1.793 -2.337 0.079) 2.947 16.227 ( -18.060 2.962 3.795) 18.691 18.449 ( -11.202 -0.392 7.251) 13.349 19.060 ( 12.873 -1.126 -20.345) 24.102 19.929 ( 3.496 2.466 12.467) 13.181 21.263 ( 4.601 0.954 -0.989) 4.802 21.847 ( 0.483 -0.709 0.608) 1.052 21.864 ( 3.745 -1.142 0.063) 3.915 ======================= Grid point 140 (61/141) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -9.247 13.410 0.284) 16.292 2.640 ( -8.674 15.410 1.530) 17.750 2.809 ( -10.037 5.471 0.538) 11.443 2.845 ( -19.674 3.366 -2.960) 20.178 3.290 ( -10.971 -3.685 4.846) 12.547 3.479 ( -3.795 15.241 6.013) 16.818 3.529 ( -4.855 11.349 2.504) 12.595 3.898 ( 11.147 12.753 -2.105) 17.068 3.963 ( -0.208 -2.367 -2.254) 3.275 4.111 ( 8.629 1.705 5.226) 10.231 4.236 ( -3.792 -2.800 -4.239) 6.339 4.323 ( 5.441 0.324 2.569) 6.026 4.500 ( 2.632 -5.360 -5.449) 8.084 4.638 ( 1.230 -2.950 0.148) 3.199 4.747 ( -1.857 -1.473 -0.769) 2.491 4.906 ( -3.727 2.196 -6.890) 8.135 5.007 ( 8.341 -11.120 5.010) 14.776 5.054 ( 3.769 -5.462 5.355) 8.527 5.321 ( 1.168 -9.326 -5.489) 10.884 5.513 ( -5.385 2.131 3.076) 6.557 5.576 ( -5.349 -1.178 1.819) 5.771 5.617 ( -2.169 -1.971 -0.357) 2.952 5.759 ( -5.715 -4.256 -1.699) 7.325 5.858 ( -6.786 -2.462 -3.038) 7.832 6.050 ( -2.746 1.929 -1.228) 3.573 6.128 ( 3.098 -1.201 -5.643) 6.549 6.290 ( -5.246 -4.413 3.599) 7.743 6.567 ( -5.808 -2.750 0.381) 6.437 6.629 ( -0.164 0.736 0.530) 0.922 6.853 ( 2.870 -4.171 -2.496) 5.645 7.080 ( 6.630 1.972 -2.532) 7.366 7.141 ( 1.156 2.205 1.464) 2.888 7.335 ( 5.358 -0.690 -2.403) 5.913 7.591 ( 5.143 -2.255 0.001) 5.616 7.818 ( -3.999 1.278 3.539) 5.491 7.956 ( 5.417 2.624 -1.209) 6.139 8.151 ( -1.541 -4.664 1.473) 5.128 8.194 ( -0.034 -4.665 -3.418) 5.784 8.511 ( 3.355 1.883 1.385) 4.089 8.542 ( -3.855 3.649 4.815) 7.166 8.715 ( -3.092 2.006 -1.949) 4.169 8.828 ( 3.000 -0.854 -0.089) 3.120 9.029 ( -7.032 -0.616 -2.954) 7.652 9.287 ( -7.927 2.469 -1.967) 8.533 9.749 ( -1.072 -1.409 1.105) 2.087 9.926 ( 0.351 -2.764 3.990) 4.867 10.487 ( 3.125 0.485 9.287) 9.810 10.649 ( 12.583 0.899 5.871) 13.915 10.962 ( -0.618 -0.400 -13.644) 13.664 11.036 ( -5.042 0.009 -5.798) 7.684 11.741 ( -10.909 1.061 -0.772) 10.988 11.939 ( 1.141 -0.006 10.436) 10.498 12.018 ( 2.786 2.194 -1.701) 3.933 12.606 ( 0.916 -0.731 0.746) 1.389 13.417 ( -0.253 -3.261 -2.261) 3.976 13.517 ( 0.075 0.663 -0.073) 0.671 14.271 ( -10.950 2.146 -8.672) 14.131 14.413 ( 6.496 -3.586 5.118) 9.014 15.762 ( -6.414 -2.097 3.054) 7.407 15.949 ( -12.932 4.665 0.549) 13.759 18.334 ( -8.929 -1.272 7.893) 11.985 19.186 ( 11.714 -3.851 -20.690) 24.085 20.007 ( 2.511 4.800 16.414) 17.285 21.306 ( 3.557 1.556 -2.794) 4.783 21.860 ( -0.003 -0.301 0.641) 0.708 21.928 ( 2.965 -1.343 -1.356) 3.526 ======================= Grid point 141 (62/141) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -10.233 18.450 2.208) 21.213 2.288 ( -14.134 21.185 4.625) 25.883 2.559 ( -13.247 -2.583 -4.673) 14.282 2.591 ( -3.598 5.120 -16.115) 17.287 3.134 ( -0.232 25.490 4.593) 25.901 3.349 ( -3.885 2.741 14.244) 15.016 3.374 ( -7.009 7.867 7.574) 12.976 3.809 ( -1.618 5.923 -2.926) 6.802 3.989 ( -2.576 0.153 -2.593) 3.658 4.177 ( 3.432 5.686 8.588) 10.856 4.291 ( 11.977 4.595 -1.887) 12.967 4.422 ( 6.525 0.715 -1.195) 6.672 4.462 ( -4.706 -0.622 -6.825) 8.313 4.648 ( -2.061 0.718 0.715) 2.296 4.818 ( 5.130 -1.767 2.982) 6.191 4.895 ( 2.143 -5.637 -1.730) 6.273 5.214 ( -6.155 2.293 3.593) 7.486 5.252 ( 0.910 -8.289 4.798) 9.621 5.307 ( 4.763 -0.945 0.688) 4.905 5.433 ( 2.259 -8.656 -4.650) 10.082 5.585 ( 2.436 0.543 -3.216) 4.070 5.613 ( -2.730 -3.576 -0.141) 4.502 5.703 ( -6.705 -6.373 -1.436) 9.361 5.810 ( -3.040 -11.395 -2.804) 12.122 6.020 ( -0.472 -2.881 -3.899) 4.871 6.164 ( 2.719 -2.125 -3.216) 4.717 6.284 ( -5.285 -8.380 2.627) 10.250 6.532 ( -3.345 -4.193 -1.265) 5.511 6.622 ( -0.198 -1.189 -1.305) 1.777 6.907 ( 3.035 -1.967 -9.090) 9.783 7.075 ( -0.481 4.184 -1.532) 4.482 7.136 ( 0.313 1.685 3.515) 3.911 7.494 ( 9.759 -4.183 0.074) 10.618 7.697 ( 4.704 -1.314 1.715) 5.177 7.787 ( -3.112 -2.538 5.846) 7.093 8.036 ( 5.105 0.070 1.401) 5.294 8.115 ( -4.326 -2.562 -1.127) 5.153 8.233 ( -0.833 -3.084 -1.668) 3.604 8.474 ( -2.862 2.825 7.575) 8.576 8.496 ( -2.590 3.041 -1.553) 4.286 8.632 ( -1.337 1.415 -5.342) 5.685 8.890 ( 2.721 -0.240 -0.198) 2.738 8.951 ( -3.163 -1.258 1.929) 3.913 9.158 ( -2.519 4.113 -3.490) 5.953 9.747 ( -1.759 -0.406 3.139) 3.621 9.977 ( 0.134 -3.463 3.571) 4.976 10.507 ( -5.182 -2.396 -4.900) 7.523 10.799 ( -3.311 1.249 -1.570) 3.872 10.914 ( 15.566 3.868 -12.896) 20.580 11.011 ( 0.985 0.074 3.891) 4.014 11.601 ( -5.523 -1.209 1.724) 5.911 11.915 ( -11.126 -0.996 6.893) 13.126 12.038 ( 5.807 6.721 5.954) 10.693 12.629 ( 0.252 -1.170 -0.574) 1.327 13.428 ( -0.116 -1.165 -1.613) 1.993 13.538 ( 2.183 -3.129 -2.333) 4.472 14.115 ( -1.843 1.037 0.412) 2.154 14.570 ( 3.644 -5.384 3.362) 7.319 15.655 ( -8.041 2.054 1.795) 8.491 15.757 ( -6.150 4.310 2.435) 7.895 18.261 ( -7.363 -1.219 9.470) 12.057 19.292 ( 8.027 -5.604 -21.845) 23.938 20.084 ( 2.454 4.997 20.071) 20.829 21.316 ( 1.772 1.637 -4.640) 5.230 21.856 ( -0.587 0.584 0.388) 0.915 21.965 ( 1.530 -0.944 -3.245) 3.709 ======================= Grid point 142 (63/141) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.837 19.794 5.728) 20.800 1.868 ( -6.964 29.181 -1.447) 30.035 2.383 ( -3.479 5.346 -14.672) 15.999 2.523 ( 7.884 -3.818 -17.058) 19.176 2.934 ( 3.440 31.133 20.722) 37.557 3.160 ( -6.278 12.055 0.364) 13.597 3.403 ( -2.589 -4.318 17.009) 17.739 3.765 ( 3.498 4.040 -2.023) 5.714 3.925 ( -1.009 4.506 -4.843) 6.692 4.191 ( 1.584 5.843 9.098) 10.928 4.327 ( -6.035 2.995 -8.486) 10.836 4.430 ( 6.940 1.483 2.293) 7.458 4.486 ( 4.223 8.421 -0.990) 9.472 4.586 ( -2.546 -2.935 -0.319) 3.899 4.886 ( -1.907 -2.311 3.954) 4.961 4.983 ( 2.159 4.464 0.369) 4.972 5.062 ( -0.563 -4.043 5.476) 6.830 5.282 ( -2.712 0.336 3.508) 4.447 5.482 ( 0.597 -10.864 2.312) 11.124 5.518 ( -2.659 -5.216 -7.040) 9.156 5.551 ( -4.964 -6.160 -3.970) 8.851 5.638 ( 0.149 -4.869 -3.513) 6.006 5.672 ( 1.576 -3.970 -1.951) 4.696 5.941 ( 5.303 -8.310 -4.246) 10.733 6.042 ( 2.855 -2.895 -10.533) 11.291 6.244 ( 3.569 -6.074 1.294) 7.163 6.302 ( -5.716 -10.486 -0.037) 11.943 6.506 ( -4.678 -3.534 0.055) 5.863 6.641 ( 3.267 -0.521 -5.639) 6.537 6.932 ( 5.482 -2.141 -8.998) 10.751 7.037 ( -2.469 -0.840 4.429) 5.140 7.143 ( -0.447 0.086 3.394) 3.424 7.630 ( 1.323 -2.955 0.476) 3.272 7.730 ( -1.735 3.903 4.573) 6.258 7.869 ( 0.439 -10.172 3.470) 10.756 8.018 ( -3.015 -0.667 2.758) 4.140 8.141 ( -2.818 2.159 -1.711) 3.941 8.207 ( 4.863 1.241 -2.652) 5.676 8.410 ( -2.905 1.865 0.905) 3.569 8.513 ( 3.162 -0.660 8.641) 9.225 8.599 ( 0.675 -0.026 -5.218) 5.261 8.918 ( 1.079 -1.066 2.061) 2.559 8.947 ( 0.204 0.595 -0.702) 0.942 9.093 ( 0.885 3.041 -3.181) 4.488 9.740 ( -0.451 1.045 4.780) 4.913 10.028 ( -1.027 -3.569 3.912) 5.393 10.349 ( -9.391 -1.812 -13.290) 16.374 10.641 ( -6.769 0.827 -12.172) 13.953 11.030 ( 0.521 2.932 2.943) 4.187 11.122 ( 15.565 3.881 -5.843) 17.073 11.621 ( 2.144 -1.602 4.517) 5.251 11.767 ( -6.992 1.026 4.609) 8.436 12.116 ( 3.886 1.521 14.172) 14.774 12.622 ( -1.841 -1.228 -2.151) 3.086 13.428 ( -0.074 -0.053 -0.472) 0.481 13.604 ( 0.972 -6.301 -3.083) 7.082 14.251 ( 14.050 -4.890 12.708) 19.565 14.632 ( -5.578 -7.559 -0.587) 9.412 15.558 ( 1.289 4.527 2.848) 5.502 15.669 ( -0.843 5.708 2.344) 6.228 18.206 ( -6.846 -0.144 11.258) 13.177 19.333 ( 3.625 -4.302 -19.625) 20.415 20.176 ( 0.932 2.423 21.021) 21.181 21.275 ( -1.295 2.307 -7.749) 8.188 21.836 ( -0.792 1.104 -0.164) 1.368 21.960 ( -0.144 0.305 -4.912) 4.924 ======================= Grid point 143 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 5.390 30.702 -2.405) 31.264 1.716 ( 18.343 18.036 12.431) 28.571 2.186 ( -2.524 6.102 -24.002) 24.893 2.689 ( 14.646 5.534 -12.580) 20.084 2.867 ( 13.670 22.145 19.289) 32.393 3.026 ( 2.325 5.461 5.809) 8.305 3.522 ( 1.584 -5.556 16.364) 17.354 3.745 ( 0.800 8.791 -9.170) 12.729 3.836 ( 2.356 8.591 -1.612) 9.053 4.129 ( -5.475 6.694 -3.777) 9.437 4.247 ( 4.188 0.210 7.174) 8.309 4.387 ( -2.698 1.589 6.214) 6.959 4.535 ( 2.609 -0.601 -6.546) 7.073 4.663 ( 6.800 -0.958 2.204) 7.212 4.872 ( -0.407 0.573 -2.974) 3.056 4.963 ( -3.803 1.583 8.628) 9.561 5.146 ( 4.295 2.039 -1.749) 5.066 5.249 ( -1.016 4.728 3.686) 6.080 5.383 ( -10.654 -6.872 -0.707) 12.697 5.553 ( -3.367 -9.419 -5.630) 11.479 5.568 ( -1.184 -4.889 -4.736) 6.910 5.665 ( -3.312 -9.322 0.405) 9.901 5.768 ( 1.185 -8.646 -3.754) 9.500 5.967 ( 4.041 5.337 -12.372) 14.068 6.155 ( 7.399 -6.875 -2.806) 10.483 6.269 ( -7.702 -10.244 -4.133) 13.467 6.383 ( 3.824 -4.543 -0.125) 5.940 6.461 ( -4.152 -2.731 -0.071) 4.970 6.667 ( 3.421 1.599 -3.077) 4.871 7.001 ( -3.541 -1.891 9.489) 10.303 7.092 ( 2.441 -5.140 -0.929) 5.766 7.185 ( 5.770 -5.102 -1.193) 7.794 7.617 ( -3.840 1.928 -2.451) 4.947 7.650 ( -5.633 -1.366 2.868) 6.466 7.853 ( -8.768 -1.366 2.045) 9.107 7.955 ( -7.813 2.329 1.193) 8.239 8.152 ( 7.567 -0.149 -0.604) 7.593 8.310 ( 4.529 3.215 0.021) 5.555 8.373 ( 4.513 0.142 1.032) 4.632 8.517 ( -5.850 3.695 6.275) 9.341 8.637 ( -0.162 -4.531 -3.426) 5.683 8.941 ( 3.157 1.081 -0.182) 3.342 9.009 ( 6.171 -3.813 -0.447) 7.268 9.101 ( 3.006 0.062 -0.504) 3.049 9.769 ( 1.996 2.019 5.572) 6.253 10.015 ( -4.003 -0.968 -1.257) 4.306 10.217 ( -2.382 -1.711 -3.201) 4.342 10.497 ( -5.653 -3.255 -10.220) 12.124 11.006 ( 0.791 4.123 -0.650) 4.248 11.223 ( 5.631 4.334 -5.245) 8.832 11.617 ( -2.653 0.897 3.172) 4.231 11.806 ( 6.578 1.455 2.652) 7.240 12.291 ( 5.380 -6.778 14.032) 16.486 12.576 ( -3.595 -1.192 -3.397) 5.088 13.419 ( -1.093 -0.435 0.014) 1.176 13.629 ( -3.919 -5.464 -3.884) 7.765 14.537 ( -12.433 -7.223 -3.620) 14.828 14.746 ( 20.521 -18.569 11.782) 30.079 15.635 ( 4.776 8.755 0.211) 9.975 15.720 ( 17.933 -4.743 11.233) 21.686 18.147 ( -6.395 1.788 11.356) 13.154 19.317 ( 1.189 -2.270 -14.158) 14.388 20.234 ( -5.298 0.852 19.254) 19.987 21.148 ( -3.836 5.267 -11.659) 13.356 21.809 ( -0.723 1.366 -1.508) 2.159 21.915 ( -0.474 2.646 -3.685) 4.562 ======================= Grid point 144 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 15.359 15.527 4.856) 22.374 1.907 ( 8.204 10.038 -2.486) 13.200 2.023 ( 9.052 6.551 -3.934) 11.846 2.706 ( 9.037 10.905 -8.924) 16.740 3.020 ( 20.696 18.669 18.628) 33.524 3.323 ( 21.940 -5.220 -1.395) 22.596 3.513 ( -5.533 5.772 -9.166) 12.163 3.712 ( 4.008 -3.220 11.113) 12.245 3.815 ( 7.246 8.380 -3.552) 11.634 4.066 ( 3.005 4.448 -1.105) 5.480 4.371 ( 5.488 -0.384 7.761) 9.513 4.435 ( 3.293 -1.454 4.912) 6.090 4.497 ( 1.015 2.108 -5.480) 5.958 4.740 ( -4.105 5.370 -0.295) 6.766 4.828 ( 1.373 -1.931 -1.175) 2.645 4.926 ( -1.667 2.412 6.051) 6.724 5.119 ( -0.559 2.555 -5.601) 6.181 5.214 ( 4.477 6.432 0.371) 7.845 5.354 ( -4.556 -6.137 4.833) 9.043 5.551 ( -5.373 -10.195 -8.314) 14.211 5.558 ( -1.625 -1.565 -1.585) 2.757 5.661 ( -4.794 -6.508 -4.361) 9.184 5.836 ( -2.220 -9.430 -4.006) 10.483 5.974 ( 3.846 -1.203 -0.431) 4.052 6.163 ( -6.286 -5.321 -6.379) 10.417 6.339 ( -1.707 -5.788 5.023) 7.852 6.434 ( 2.575 -1.946 0.848) 3.337 6.472 ( 4.192 -2.197 -8.828) 10.017 6.703 ( 2.719 -0.474 -0.083) 2.761 6.967 ( -7.495 -1.360 8.413) 11.349 7.135 ( -0.041 -2.115 3.397) 4.002 7.317 ( 1.504 -0.334 -1.680) 2.280 7.475 ( -7.016 4.826 -2.748) 8.948 7.646 ( -0.927 -3.827 -2.499) 4.664 7.724 ( -7.187 -1.698 0.617) 7.411 7.855 ( -2.004 -1.977 1.175) 3.050 8.198 ( -1.657 7.629 1.888) 8.032 8.291 ( 3.968 1.154 -1.214) 4.307 8.383 ( -8.478 2.483 4.895) 10.099 8.537 ( 5.731 -0.917 1.759) 6.064 8.593 ( -4.773 -4.233 -4.939) 8.068 9.021 ( 6.226 0.662 -0.512) 6.282 9.154 ( 8.146 -0.863 -0.768) 8.228 9.203 ( 8.483 -5.172 -0.086) 9.936 9.753 ( -2.229 5.420 3.293) 6.722 9.996 ( 0.415 -2.138 -0.547) 2.245 10.233 ( 0.072 -2.519 3.943) 4.679 10.430 ( -3.230 -5.000 -6.451) 8.778 10.982 ( 2.016 3.417 -2.044) 4.463 11.202 ( 0.121 3.302 -2.828) 4.349 11.579 ( -2.869 2.095 2.850) 4.554 11.925 ( 9.276 1.410 3.046) 9.864 12.467 ( -1.589 -4.516 0.655) 4.832 12.517 ( -1.200 -3.915 2.335) 4.714 13.409 ( -0.920 -0.895 -0.098) 1.287 13.532 ( -9.970 -2.442 -5.712) 11.747 14.402 ( -8.837 -5.460 -4.601) 11.361 15.135 ( 7.420 -10.398 -6.636) 14.395 15.654 ( 9.285 9.417 -1.646) 13.327 16.363 ( 20.289 -35.787 24.632) 47.949 18.088 ( -1.557 3.563 5.239) 6.524 19.301 ( 0.756 -2.523 -7.404) 7.859 20.116 ( -15.145 6.746 11.034) 19.915 20.989 ( -0.175 7.398 -8.122) 10.988 21.770 ( -0.245 2.655 -2.442) 3.616 21.877 ( 0.676 3.330 -0.214) 3.405 ======================= Grid point 149 (66/141) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -8.705 -0.000 1.202) 8.787 2.774 ( -3.513 -0.000 -6.053) 6.999 2.869 ( -22.406 -0.000 -0.358) 22.409 2.914 ( -22.284 -0.000 3.437) 22.548 3.215 ( -9.872 -0.000 11.114) 14.865 3.632 ( -6.440 -0.000 6.916) 9.450 3.701 ( 3.912 0.000 0.539) 3.949 3.984 ( 4.081 0.000 -10.437) 11.206 4.099 ( 0.479 0.000 2.142) 2.195 4.109 ( 14.131 0.000 4.738) 14.904 4.165 ( 8.806 0.000 -2.011) 9.033 4.318 ( 4.706 0.000 -2.637) 5.394 4.373 ( 6.508 0.000 4.361) 7.834 4.598 ( 0.001 0.000 -6.410) 6.410 4.780 ( 1.009 0.000 0.755) 1.260 4.847 ( 4.467 0.000 2.638) 5.188 4.995 ( 1.396 0.000 6.050) 6.209 5.060 ( -4.040 -0.000 -5.015) 6.440 5.094 ( -6.607 -0.000 -12.719) 14.332 5.488 ( -1.617 -0.000 9.763) 9.896 5.556 ( -7.547 -0.000 1.583) 7.711 5.567 ( 0.142 0.000 -2.288) 2.293 5.800 ( -4.028 -0.000 -2.467) 4.723 5.830 ( -6.175 -0.000 -0.135) 6.176 6.100 ( -6.074 -0.000 -3.519) 7.020 6.114 ( 4.776 0.000 -7.863) 9.200 6.249 ( -4.719 -0.000 5.871) 7.532 6.507 ( -12.080 -0.000 8.542) 14.795 6.667 ( -3.336 -0.000 -0.183) 3.341 6.793 ( 7.355 0.000 -7.279) 10.348 7.101 ( 7.527 0.000 -2.530) 7.940 7.157 ( 1.813 0.000 2.501) 3.089 7.343 ( 3.114 0.000 -0.129) 3.117 7.549 ( 4.069 0.000 -4.389) 5.985 7.849 ( -4.154 -0.000 5.425) 6.833 7.988 ( 7.523 0.000 -6.476) 9.926 8.112 ( -2.498 -0.000 -2.186) 3.319 8.123 ( -0.127 -0.000 4.057) 4.059 8.525 ( 4.556 0.000 -1.324) 4.745 8.584 ( -6.964 -0.000 6.507) 9.531 8.738 ( -2.182 -0.000 -1.781) 2.817 8.815 ( 2.970 0.000 1.217) 3.210 9.025 ( -7.095 -0.000 -3.576) 7.945 9.315 ( -6.898 -0.000 -2.534) 7.349 9.735 ( -0.027 -0.000 0.124) 0.126 9.896 ( 0.030 0.000 5.207) 5.207 10.491 ( 1.257 0.000 8.721) 8.812 10.661 ( 14.570 0.000 7.655) 16.459 10.958 ( 0.121 0.000 -13.676) 13.677 11.034 ( -5.845 -0.000 -6.499) 8.740 11.751 ( -12.864 -0.000 -2.069) 13.029 11.922 ( -1.695 -0.000 12.548) 12.662 12.058 ( 8.285 0.000 -2.121) 8.552 12.598 ( 0.693 0.000 0.516) 0.864 13.383 ( -0.489 -0.000 -2.011) 2.070 13.525 ( -0.122 -0.000 0.456) 0.472 14.299 ( -13.073 -0.000 -8.459) 15.571 14.372 ( 8.077 0.000 5.265) 9.642 15.741 ( -4.509 -0.000 2.243) 5.036 15.996 ( -13.405 -0.000 0.324) 13.409 18.324 ( -8.217 -0.000 6.520) 10.489 19.147 ( 10.593 0.000 -19.831) 22.483 20.055 ( 2.292 0.000 16.172) 16.333 21.323 ( 3.473 0.000 -2.972) 4.572 21.855 ( 0.478 0.000 0.757) 0.895 21.913 ( 3.182 0.000 -1.083) 3.362 ======================= Grid point 151 (67/141) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -11.526 7.115 -0.006) 13.546 2.505 ( -18.410 -1.004 -3.443) 18.756 2.600 ( -11.690 7.796 4.389) 14.721 2.696 ( -1.505 3.877 -4.777) 6.334 3.201 ( -4.428 -2.648 14.933) 15.799 3.520 ( -6.829 4.610 4.314) 9.300 3.673 ( 0.402 12.282 2.343) 12.510 3.922 ( 0.931 6.028 -5.590) 8.273 4.018 ( -5.315 1.952 -3.301) 6.554 4.271 ( 5.933 4.249 5.719) 9.271 4.349 ( 9.896 -0.683 0.898) 9.960 4.412 ( 7.179 1.748 -3.199) 8.052 4.463 ( 0.753 0.196 -5.221) 5.278 4.589 ( 0.286 -4.029 -1.132) 4.194 4.809 ( -2.609 -0.344 -2.954) 3.956 4.884 ( 8.869 3.237 -0.215) 9.444 5.084 ( 5.523 -5.770 4.873) 9.357 5.115 ( 4.557 -11.628 0.954) 12.525 5.158 ( 6.281 -8.242 -1.292) 10.442 5.418 ( -9.761 4.284 2.594) 10.971 5.521 ( -0.525 -3.997 1.793) 4.412 5.580 ( 1.012 -1.001 -0.622) 1.554 5.673 ( -5.816 4.314 -0.323) 7.249 5.737 ( -6.856 -1.767 -0.872) 7.133 6.006 ( -2.227 -0.141 -2.863) 3.630 6.127 ( 1.313 -0.855 -9.290) 9.421 6.193 ( -4.895 -0.203 5.285) 7.207 6.394 ( -10.707 -7.418 8.645) 15.633 6.622 ( -0.644 0.422 -2.001) 2.144 6.875 ( 6.300 -1.072 -9.864) 11.753 7.144 ( 1.301 2.019 -4.125) 4.774 7.171 ( -0.272 1.262 1.114) 1.705 7.430 ( 7.371 -1.613 0.698) 7.578 7.594 ( 0.252 -4.427 -2.635) 5.158 7.825 ( -1.561 2.469 8.279) 8.779 8.043 ( -3.663 -0.504 -0.507) 3.732 8.081 ( 6.617 0.260 -3.869) 7.670 8.159 ( 0.356 -3.270 1.258) 3.522 8.514 ( -3.148 1.105 5.019) 6.027 8.533 ( -2.042 0.763 -1.795) 2.824 8.671 ( -2.539 1.678 -6.177) 6.886 8.881 ( 2.490 -0.512 2.339) 3.455 8.929 ( -3.989 -0.670 2.704) 4.865 9.221 ( -2.032 1.816 -4.597) 5.344 9.747 ( 0.774 0.277 2.096) 2.251 9.921 ( -0.817 -1.795 4.949) 5.327 10.476 ( -6.053 -0.767 -4.811) 7.771 10.825 ( -3.548 1.011 -3.093) 4.814 10.962 ( 15.469 1.370 -9.160) 18.029 11.002 ( 2.734 -0.755 5.008) 5.755 11.584 ( -6.808 -0.458 1.292) 6.945 11.893 ( -9.482 -0.663 10.864) 14.436 12.150 ( 5.660 3.387 0.898) 6.657 12.608 ( 0.062 -0.688 -1.204) 1.388 13.389 ( 0.820 -1.605 -0.993) 2.058 13.520 ( 0.034 0.104 -1.620) 1.624 14.132 ( -3.290 0.555 -1.458) 3.641 14.495 ( 3.256 -2.015 2.237) 4.435 15.675 ( -5.078 0.409 3.635) 6.258 15.826 ( -6.392 1.988 0.024) 6.695 18.251 ( -5.133 -0.082 6.713) 8.451 19.205 ( 7.261 -2.553 -20.597) 21.988 20.158 ( 1.260 2.124 19.611) 19.765 21.342 ( 1.718 0.807 -4.672) 5.043 21.862 ( -0.095 0.138 0.566) 0.590 21.948 ( 1.689 -0.609 -2.298) 2.917 ======================= Grid point 152 (68/141) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 1.641 12.285 2.636) 12.671 2.326 ( -2.622 9.418 -2.582) 10.111 2.413 ( 0.135 4.213 -1.639) 4.523 2.615 ( 3.509 10.485 -8.752) 14.102 3.201 ( -5.562 -0.377 9.189) 10.748 3.426 ( -1.250 5.249 10.393) 11.710 3.530 ( -1.957 20.114 6.212) 21.143 3.840 ( 1.268 4.619 -3.148) 5.732 3.969 ( 3.142 0.911 -3.890) 5.083 4.316 ( 0.131 6.229 7.708) 9.911 4.356 ( -2.124 1.669 -7.417) 7.894 4.459 ( -0.568 -2.681 -0.435) 2.775 4.507 ( 7.100 3.731 1.895) 8.242 4.634 ( 2.372 0.138 -5.128) 5.652 4.796 ( -1.670 -6.411 -1.285) 6.748 5.014 ( 4.955 1.333 5.160) 7.277 5.124 ( -10.805 4.163 5.271) 12.722 5.133 ( -5.089 -9.015 -2.346) 10.615 5.363 ( 1.668 -4.120 3.707) 5.788 5.373 ( 4.246 -6.511 -0.310) 7.779 5.507 ( -4.796 2.418 -0.980) 5.460 5.582 ( 1.606 -6.120 -2.116) 6.672 5.624 ( 0.428 1.263 -0.294) 1.365 5.753 ( 7.637 -7.356 -0.484) 10.614 6.019 ( 4.721 -1.041 -4.265) 6.447 6.102 ( -3.519 -7.059 -7.635) 10.977 6.179 ( -0.212 -1.686 2.445) 2.977 6.376 ( -7.426 -9.347 7.207) 13.945 6.627 ( 2.481 -0.783 -2.845) 3.855 6.910 ( 6.004 0.320 -16.061) 17.149 7.083 ( -2.907 3.864 0.280) 4.844 7.155 ( -0.942 0.918 1.153) 1.749 7.562 ( 0.415 -3.498 0.380) 3.542 7.649 ( 0.644 -10.269 4.081) 11.069 7.809 ( -1.515 3.439 4.724) 6.036 8.004 ( -0.988 -0.482 2.885) 3.087 8.147 ( -1.414 -0.816 0.840) 1.835 8.211 ( 6.875 -0.713 -5.434) 8.793 8.447 ( -4.630 1.732 -1.545) 5.179 8.521 ( 1.964 0.915 4.777) 5.246 8.610 ( -0.060 0.867 -4.022) 4.115 8.905 ( 0.443 -0.159 2.984) 3.021 8.939 ( 0.257 -1.121 2.678) 2.915 9.153 ( -0.823 2.426 -6.600) 7.080 9.769 ( 1.312 1.847 4.770) 5.280 9.955 ( -1.467 -3.500 5.144) 6.393 10.318 ( -7.746 -1.063 -10.977) 13.477 10.663 ( -8.533 1.044 -13.012) 15.595 11.079 ( 2.608 1.860 5.578) 6.433 11.176 ( 14.147 1.614 -5.190) 15.155 11.592 ( 4.242 -1.193 6.206) 7.611 11.769 ( -10.412 -0.439 8.300) 13.323 12.190 ( 2.843 4.475 5.439) 7.595 12.593 ( -2.065 -1.489 -3.192) 4.083 13.413 ( 0.227 -1.588 -0.612) 1.717 13.518 ( 0.066 -2.088 -2.543) 3.291 14.193 ( 8.659 -1.521 7.105) 11.304 14.519 ( -4.582 -3.969 -1.467) 6.237 15.628 ( -0.166 2.477 3.766) 4.511 15.761 ( 1.029 3.418 1.018) 3.712 18.217 ( -3.385 0.813 7.609) 8.368 19.231 ( 3.958 -4.807 -20.745) 21.659 20.240 ( -0.413 3.081 22.044) 22.262 21.313 ( -0.700 1.506 -6.890) 7.088 21.853 ( -0.807 0.626 0.183) 1.038 21.954 ( 0.039 -0.645 -3.180) 3.245 ======================= Grid point 153 (69/141) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 14.522 15.646 4.441) 21.804 2.119 ( 6.219 25.032 -1.215) 25.821 2.440 ( 3.145 17.478 -8.911) 19.869 2.648 ( 21.552 -4.493 -11.726) 24.943 3.153 ( -2.782 4.299 5.306) 7.374 3.339 ( 2.367 21.609 12.115) 24.886 3.467 ( 1.607 0.872 15.966) 16.071 3.866 ( 4.680 2.970 -1.789) 5.825 3.988 ( 4.366 5.017 -7.177) 9.785 4.225 ( -5.418 3.639 -2.433) 6.965 4.291 ( -2.558 4.529 2.525) 5.782 4.382 ( -8.180 -1.683 4.270) 9.380 4.547 ( 0.204 2.871 -2.569) 3.858 4.653 ( 6.707 0.424 0.902) 6.780 4.833 ( 0.225 -5.068 -3.984) 6.450 5.001 ( -4.713 1.997 8.671) 10.069 5.091 ( -2.212 -9.843 1.784) 10.245 5.167 ( -2.674 -9.269 -0.584) 9.665 5.319 ( -8.834 -1.742 1.107) 9.072 5.389 ( -4.805 -3.158 1.069) 5.848 5.471 ( 2.304 -0.565 -3.552) 4.271 5.631 ( 1.117 0.755 -2.857) 3.159 5.678 ( 5.250 -1.157 -2.650) 5.994 6.011 ( 10.056 -7.632 -0.142) 12.625 6.051 ( 3.712 0.186 -15.419) 15.861 6.089 ( -1.483 -4.768 -2.026) 5.389 6.281 ( 5.226 -7.008 3.949) 9.592 6.383 ( -4.742 -5.656 3.233) 8.058 6.679 ( 3.985 -0.861 -2.453) 4.758 6.955 ( 7.548 -4.503 -13.262) 15.909 7.006 ( -4.489 2.370 6.259) 8.058 7.141 ( -0.861 -0.722 0.794) 1.377 7.546 ( -6.230 -4.968 1.909) 8.194 7.711 ( -5.748 0.156 4.206) 7.124 7.782 ( -1.583 -2.146 1.199) 2.924 8.009 ( -5.001 2.658 2.390) 6.147 8.126 ( 4.051 -1.676 -1.671) 4.692 8.329 ( 8.523 -1.460 -0.823) 8.686 8.372 ( -3.040 0.587 -0.630) 3.159 8.570 ( -0.308 -0.926 3.706) 3.832 8.590 ( -0.557 1.869 -1.063) 2.221 8.931 ( 0.158 -1.912 -0.523) 1.989 8.985 ( 5.833 1.178 2.338) 6.393 9.108 ( 1.547 0.197 -5.115) 5.347 9.807 ( 2.762 2.104 6.616) 7.472 9.976 ( -2.954 -2.901 2.699) 4.942 10.198 ( -2.366 -0.263 -5.521) 6.012 10.452 ( -8.917 -1.314 -12.223) 15.187 11.089 ( 1.401 4.131 0.390) 4.379 11.292 ( 5.366 2.404 -5.085) 7.773 11.636 ( -2.656 1.045 4.428) 5.268 11.810 ( 8.609 -1.245 6.569) 10.900 12.232 ( 1.962 0.572 10.226) 10.429 12.544 ( -3.795 -2.032 -4.717) 6.387 13.414 ( -0.560 -0.207 -1.125) 1.274 13.530 ( -1.819 -4.272 -2.488) 5.268 14.421 ( -9.616 -4.547 -3.480) 11.192 14.484 ( 14.744 -8.704 9.457) 19.560 15.694 ( 8.318 0.769 5.287) 9.886 15.785 ( 6.565 5.793 1.214) 8.839 18.191 ( -2.621 2.362 7.680) 8.452 19.230 ( 1.625 -5.520 -18.583) 19.453 20.285 ( -3.899 3.537 22.815) 23.415 21.221 ( -3.169 2.668 -9.744) 10.588 21.829 ( -1.092 0.803 -0.612) 1.487 21.936 ( -0.664 -0.162 -2.810) 2.892 ======================= Grid point 154 (70/141) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 7.344 26.210 -2.926) 27.376 2.191 ( -0.494 21.944 -9.527) 23.928 2.277 ( 19.848 14.547 9.286) 26.302 2.940 ( 12.313 11.249 -8.828) 18.870 3.192 ( 15.502 -4.337 4.043) 16.597 3.368 ( 15.860 14.128 10.351) 23.628 3.590 ( -0.112 -0.354 12.365) 12.371 3.745 ( -4.941 8.906 -4.019) 10.949 3.966 ( 4.204 5.750 -3.314) 7.856 4.120 ( -0.486 0.487 -2.536) 2.627 4.311 ( 2.814 -4.944 6.379) 8.547 4.389 ( 0.469 -3.223 3.346) 4.669 4.523 ( 1.979 1.453 -2.727) 3.669 4.768 ( 4.017 -1.270 1.600) 4.507 4.836 ( -2.057 0.512 -4.898) 5.337 4.926 ( -6.730 -2.429 4.137) 8.265 5.091 ( -5.779 -4.979 -3.283) 8.305 5.238 ( -3.458 -11.412 4.961) 12.915 5.275 ( 0.693 -3.150 -0.813) 3.326 5.350 ( -3.350 -2.295 0.783) 4.136 5.518 ( 2.080 -2.581 -0.723) 3.393 5.604 ( -1.432 0.646 -1.995) 2.539 5.723 ( 3.633 1.365 -5.132) 6.434 5.954 ( -2.414 -2.049 -16.114) 16.422 6.103 ( 0.573 -0.245 -0.796) 1.011 6.236 ( 4.445 -3.510 1.353) 5.823 6.391 ( 2.601 -3.413 2.635) 5.035 6.441 ( 6.167 -3.070 -4.104) 8.019 6.720 ( 2.112 1.352 -0.987) 2.695 6.940 ( -6.260 -0.767 6.914) 9.359 7.079 ( 1.519 -3.833 0.841) 4.208 7.204 ( 5.306 -8.522 -2.258) 10.289 7.513 ( -4.137 -5.539 0.634) 6.942 7.598 ( -4.901 4.583 -1.476) 6.871 7.730 ( -6.013 1.114 0.259) 6.120 7.870 ( -7.360 3.255 2.169) 8.335 8.219 ( 2.722 -3.392 -0.957) 4.453 8.320 ( -2.415 0.813 0.937) 2.715 8.457 ( -1.400 0.484 -0.440) 1.545 8.511 ( -1.692 1.862 5.861) 6.378 8.546 ( -3.394 -0.782 -4.284) 5.521 9.001 ( 5.935 -2.774 0.217) 6.555 9.128 ( 10.226 -1.856 -0.598) 10.410 9.151 ( 6.803 0.155 -2.180) 7.146 9.852 ( 0.383 4.015 7.033) 8.108 9.951 ( -1.835 -2.020 -0.880) 2.867 10.194 ( 0.977 -1.290 1.729) 2.368 10.332 ( -3.812 -4.766 -6.475) 8.898 11.061 ( 1.369 4.522 -2.570) 5.378 11.269 ( -1.044 3.026 -3.513) 4.753 11.617 ( -1.540 1.699 2.897) 3.695 11.963 ( 8.402 2.157 3.647) 9.410 12.351 ( 3.007 -5.200 8.554) 10.452 12.472 ( -4.671 -2.060 -4.597) 6.870 13.397 ( -0.881 -0.220 -1.350) 1.627 13.489 ( -5.767 -1.894 -3.576) 7.045 14.303 ( -7.083 -4.617 -3.658) 9.212 14.869 ( 12.799 -14.325 1.456) 19.265 15.827 ( 8.892 7.195 -1.785) 11.577 15.964 ( 12.552 -8.449 14.139) 20.709 18.162 ( -0.830 3.766 4.995) 6.311 19.220 ( 0.391 -5.221 -13.845) 14.801 20.238 ( -9.900 6.127 19.790) 22.960 21.089 ( -2.643 3.315 -10.081) 10.936 21.800 ( -0.684 0.772 -1.639) 1.937 21.918 ( -0.165 0.538 -0.995) 1.143 ======================= Grid point 155 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 4.158 14.126 -6.977) 16.294 1.969 ( 6.511 16.219 -0.414) 17.482 2.491 ( 15.555 12.852 16.342) 25.965 2.912 ( 6.059 11.909 -5.048) 14.283 3.270 ( -10.935 6.766 -7.741) 15.010 3.528 ( 17.457 2.964 3.156) 17.986 3.710 ( 12.780 -3.240 2.233) 13.372 3.883 ( 18.394 2.196 6.870) 19.758 3.950 ( 1.803 5.420 -3.725) 6.819 4.103 ( -0.273 0.668 -4.542) 4.599 4.415 ( -2.877 -3.747 -0.049) 4.724 4.468 ( 4.819 -4.285 6.996) 9.514 4.591 ( 3.322 -0.094 3.802) 5.050 4.711 ( -1.239 3.026 -5.583) 6.470 4.797 ( -0.276 1.189 2.722) 2.983 4.888 ( -3.848 -2.991 0.151) 4.876 5.124 ( 5.035 -3.928 -2.029) 6.701 5.243 ( -7.390 -11.728 -4.571) 14.597 5.340 ( -0.332 0.975 8.109) 8.174 5.351 ( 2.947 0.927 -0.052) 3.089 5.532 ( -1.281 -2.172 -4.238) 4.931 5.591 ( 0.879 1.561 1.840) 2.568 5.754 ( 3.129 -1.559 -5.935) 6.888 5.914 ( -1.162 -10.344 -6.903) 12.490 6.094 ( 0.233 3.714 1.475) 4.003 6.256 ( -3.174 -2.891 1.996) 4.734 6.481 ( 1.868 0.186 -10.465) 10.632 6.532 ( 6.150 -0.376 3.862) 7.272 6.727 ( 0.797 0.041 -0.868) 1.179 6.878 ( -6.025 0.476 7.126) 9.344 7.125 ( 0.313 -3.235 2.545) 4.128 7.278 ( -5.890 -1.611 4.683) 7.695 7.425 ( -4.171 7.322 -7.245) 11.113 7.593 ( -5.807 -2.668 0.407) 6.403 7.615 ( 2.753 -2.696 -3.876) 5.466 7.814 ( 0.562 -5.186 2.087) 5.619 8.230 ( -3.434 5.999 2.280) 7.279 8.256 ( -5.670 -1.977 -0.012) 6.005 8.352 ( -2.085 1.499 -1.124) 2.803 8.456 ( -3.195 -0.837 -5.752) 6.633 8.546 ( -2.993 -2.876 2.836) 5.028 9.080 ( -1.181 -0.575 4.066) 4.273 9.292 ( 13.390 -1.226 -4.258) 14.105 9.361 ( 13.765 -2.386 -0.263) 13.973 9.812 ( -0.309 6.777 4.694) 8.249 9.953 ( -2.268 -3.192 0.276) 3.925 10.234 ( 0.583 -2.996 -0.866) 3.172 10.349 ( 0.768 -3.103 2.992) 4.378 11.031 ( 1.337 2.742 -2.838) 4.167 11.199 ( -1.974 2.231 -2.543) 3.917 11.557 ( -4.803 2.460 2.790) 6.075 12.102 ( 8.782 0.543 3.176) 9.354 12.349 ( -5.707 -0.620 -7.948) 9.804 12.503 ( 1.046 -5.362 6.985) 8.868 13.373 ( -4.846 2.042 -3.379) 6.251 13.384 ( -1.203 -1.466 -1.033) 2.159 14.256 ( -2.696 -3.313 -2.461) 4.930 15.114 ( 6.977 -8.055 -11.866) 15.949 15.881 ( 8.821 8.128 -2.047) 12.167 16.358 ( 2.861 -22.848 22.854) 32.443 18.162 ( 5.328 2.716 -2.361) 6.430 19.219 ( -0.720 -5.346 -7.166) 8.970 20.026 ( -14.156 11.375 10.713) 21.085 21.013 ( 0.920 1.913 -4.196) 4.703 21.781 ( 0.491 1.006 -1.920) 2.222 21.909 ( 0.132 1.332 0.653) 1.489 ======================= Grid point 161 (72/141) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 3.734 -0.000 0.004) 3.734 2.301 ( -1.151 -0.000 -5.828) 5.941 2.558 ( -2.081 -0.000 5.041) 5.454 2.733 ( 3.583 -0.000 -0.308) 3.596 3.191 ( -4.781 -0.000 13.730) 14.539 3.487 ( -1.840 -0.000 5.907) 6.187 3.701 ( -2.573 -0.000 -0.384) 2.602 3.940 ( -3.307 0.000 -4.875) 5.891 3.965 ( 3.170 -0.000 -6.649) 7.366 4.374 ( 3.259 0.000 6.589) 7.351 4.385 ( -2.407 -0.000 -8.525) 8.858 4.468 ( -1.079 -0.000 1.599) 1.929 4.570 ( 2.271 -0.000 2.037) 3.050 4.597 ( 9.883 0.000 -4.749) 10.965 4.711 ( -4.123 -0.000 -4.963) 6.452 4.949 ( 3.951 -0.000 0.254) 3.959 5.048 ( -5.871 0.000 8.128) 10.026 5.203 ( -5.580 -0.000 5.111) 7.567 5.289 ( 3.657 -0.000 2.654) 4.519 5.368 ( 6.852 -0.000 4.570) 8.236 5.473 ( -3.896 -0.000 1.022) 4.028 5.556 ( -4.770 -0.000 -2.795) 5.528 5.652 ( 4.036 0.000 -5.137) 6.533 5.667 ( 4.917 -0.000 0.503) 4.942 6.000 ( 3.789 -0.000 -0.572) 3.832 6.060 ( -2.500 -0.000 -9.936) 10.246 6.182 ( -0.388 -0.000 2.529) 2.558 6.227 ( -9.274 0.000 10.271) 13.839 6.617 ( 0.947 -0.000 -0.991) 1.371 6.919 ( 7.284 -0.000 -16.072) 17.646 7.132 ( -1.686 -0.000 -3.035) 3.472 7.166 ( -1.510 -0.000 0.209) 1.524 7.527 ( -4.430 0.000 1.198) 4.589 7.530 ( 5.061 -0.000 2.762) 5.765 7.846 ( -1.961 -0.000 4.988) 5.360 8.000 ( -0.028 -0.000 2.119) 2.119 8.135 ( -2.280 -0.000 2.392) 3.304 8.200 ( 9.322 -0.000 -6.708) 11.485 8.466 ( -5.541 -0.000 -1.623) 5.774 8.532 ( 1.593 -0.000 2.676) 3.115 8.621 ( -0.701 -0.000 -3.628) 3.695 8.909 ( -0.250 0.000 2.574) 2.586 8.920 ( 1.306 -0.000 4.570) 4.753 9.177 ( -1.671 -0.000 -7.942) 8.116 9.795 ( 2.723 -0.000 4.482) 5.244 9.913 ( -2.556 0.000 6.198) 6.704 10.308 ( -7.121 -0.000 -10.405) 12.608 10.674 ( -9.035 -0.000 -13.369) 16.136 11.097 ( 3.809 -0.000 7.052) 8.014 11.190 ( 13.327 -0.000 -4.705) 14.133 11.580 ( 4.834 -0.000 6.803) 8.345 11.763 ( -11.293 -0.000 8.893) 14.374 12.242 ( 2.580 -0.000 3.183) 4.097 12.575 ( -2.309 -0.000 -3.781) 4.430 13.391 ( 0.695 -0.000 -0.241) 0.736 13.504 ( -0.730 -0.000 -2.685) 2.782 14.180 ( 7.258 -0.000 5.312) 8.994 14.480 ( -4.136 -0.000 -1.840) 4.527 15.652 ( -0.275 -0.000 4.150) 4.159 15.795 ( 1.298 -0.000 0.497) 1.390 18.226 ( -2.280 -0.000 6.479) 6.869 19.179 ( 3.759 -0.000 -20.266) 20.612 20.273 ( -0.623 -0.000 21.702) 21.711 21.329 ( -0.607 -0.000 -6.717) 6.744 21.860 ( -0.663 -0.000 0.281) 0.720 21.946 ( -0.088 -0.000 -2.608) 2.609 ======================= Grid point 163 (73/141) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 16.521 8.918 2.909) 18.999 2.438 ( 15.264 0.401 -5.608) 16.267 2.586 ( 13.221 6.720 2.522) 15.044 2.779 ( 6.449 9.270 -0.583) 11.308 3.178 ( -1.919 0.526 8.300) 8.535 3.526 ( 2.356 2.951 12.066) 12.643 3.626 ( -2.159 6.001 0.104) 6.378 3.883 ( 1.891 0.782 -3.689) 4.218 4.008 ( 3.765 -1.537 -7.261) 8.322 4.280 ( -3.893 0.296 -8.469) 9.326 4.348 ( -9.153 1.541 3.338) 9.863 4.408 ( -4.772 4.241 3.053) 7.077 4.633 ( -0.516 2.952 3.424) 4.550 4.647 ( 2.078 -1.931 -1.906) 3.418 4.709 ( 2.857 -4.053 -4.669) 6.811 4.875 ( -14.645 -6.638 3.371) 16.429 5.050 ( -6.849 2.658 7.163) 10.261 5.081 ( 1.737 -0.999 -0.151) 2.009 5.271 ( -8.865 -2.756 1.780) 9.452 5.391 ( -0.213 3.962 2.707) 4.804 5.497 ( 1.942 -0.753 -3.912) 4.432 5.548 ( 3.631 -6.515 -0.253) 7.463 5.739 ( 6.991 4.485 -1.275) 8.403 5.887 ( 16.730 -4.524 -0.653) 17.343 5.990 ( 0.557 -0.590 -10.337) 10.369 6.093 ( 5.943 -1.191 -0.246) 6.066 6.159 ( -2.468 -1.708 5.010) 5.840 6.245 ( -1.190 -7.098 5.594) 9.115 6.642 ( 1.440 -1.703 -0.297) 2.250 6.943 ( 6.630 0.997 -18.508) 19.685 7.074 ( -1.683 3.276 -0.298) 3.695 7.134 ( -2.443 -0.146 -0.012) 2.448 7.470 ( -5.884 -1.893 4.812) 7.833 7.616 ( -0.701 -5.012 6.510) 8.246 7.816 ( -1.634 1.753 -0.530) 2.454 8.049 ( 2.919 1.201 0.836) 3.266 8.103 ( -1.288 -0.603 -0.228) 1.440 8.292 ( 0.837 -1.459 -0.350) 1.718 8.382 ( 0.234 0.267 -3.777) 3.793 8.554 ( -0.575 -0.326 0.526) 0.844 8.624 ( 1.482 0.944 1.449) 2.278 8.904 ( -1.833 -0.790 2.054) 2.864 9.008 ( 6.989 0.822 3.176) 7.721 9.107 ( -0.087 -0.188 -9.484) 9.486 9.854 ( 1.640 2.670 6.862) 7.544 9.913 ( -1.446 -3.217 5.247) 6.322 10.199 ( -1.500 0.171 -5.780) 5.974 10.439 ( -11.357 -0.223 -13.460) 17.613 11.154 ( 2.345 1.997 1.137) 3.284 11.316 ( 4.779 0.377 -4.013) 6.252 11.656 ( -4.429 0.789 5.902) 7.421 11.776 ( 11.157 -1.469 9.581) 14.779 12.271 ( 0.088 2.028 6.280) 6.600 12.506 ( -4.059 -1.463 -6.165) 7.525 13.408 ( 0.909 -0.362 0.002) 0.978 13.475 ( -1.757 -1.306 -2.957) 3.679 14.361 ( -8.779 -1.573 -3.947) 9.754 14.380 ( 11.602 -2.412 6.673) 13.600 15.711 ( 5.733 0.642 4.332) 7.214 15.862 ( 7.113 1.971 0.851) 7.430 18.228 ( -1.018 1.095 6.227) 6.404 19.143 ( 2.069 -2.659 -18.909) 19.206 20.342 ( -3.201 1.737 22.964) 23.251 21.257 ( -3.080 0.933 -9.292) 9.833 21.843 ( -1.202 0.525 -0.073) 1.314 21.924 ( -1.367 -0.688 -2.199) 2.679 ======================= Grid point 164 (74/141) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 8.397 18.532 2.280) 20.473 2.571 ( 19.327 16.042 0.670) 25.127 2.685 ( 4.447 24.865 -2.393) 25.372 2.983 ( 27.922 -4.814 -1.699) 28.385 3.216 ( 3.407 3.605 4.263) 6.540 3.594 ( 7.439 7.466 4.053) 11.292 3.604 ( 4.228 3.610 12.963) 14.105 3.903 ( -2.522 2.166 -1.940) 3.849 4.008 ( -0.185 -1.818 -7.727) 7.940 4.104 ( -11.065 0.844 -2.798) 11.444 4.232 ( -7.648 -1.396 6.363) 10.046 4.319 ( -0.226 -3.230 -0.026) 3.238 4.547 ( -4.196 -0.466 0.128) 4.224 4.713 ( -7.786 -10.460 -7.710) 15.149 4.768 ( 7.086 -3.418 1.901) 8.094 4.805 ( -5.033 -4.629 -0.647) 6.869 5.015 ( -0.368 -0.961 7.237) 7.309 5.076 ( -4.920 -1.951 3.834) 6.536 5.174 ( -4.493 -5.391 -6.327) 9.449 5.387 ( 1.596 4.667 4.235) 6.501 5.529 ( 3.831 -0.404 -2.981) 4.871 5.617 ( 1.702 1.185 -3.909) 4.425 5.788 ( 6.289 3.486 -3.867) 8.164 5.945 ( 0.491 2.241 -8.354) 8.663 6.120 ( 5.556 1.543 -2.360) 6.231 6.188 ( 6.503 -2.452 -2.649) 7.438 6.271 ( 4.016 -10.332 9.775) 14.780 6.331 ( 2.530 -5.086 1.354) 5.840 6.697 ( 1.282 -4.673 0.825) 4.916 6.921 ( -1.266 -0.040 -7.562) 7.667 7.058 ( 3.779 3.039 -1.157) 4.986 7.109 ( 0.575 -2.289 -2.445) 3.398 7.421 ( -5.623 -2.083 5.673) 8.255 7.639 ( -5.132 -1.716 6.062) 8.125 7.769 ( -0.150 2.688 -3.731) 4.601 7.966 ( -6.383 6.172 1.714) 9.043 8.147 ( 1.752 -3.262 -2.968) 4.746 8.272 ( -4.414 -5.541 0.410) 7.096 8.428 ( 2.073 -0.744 -0.645) 2.295 8.515 ( -4.347 -0.559 -3.092) 5.364 8.618 ( -1.427 4.495 4.149) 6.282 8.935 ( 3.726 -3.270 2.288) 5.460 9.113 ( 8.359 -0.144 -6.272) 10.451 9.158 ( 8.947 0.423 -0.308) 8.963 9.868 ( -1.212 -1.525 3.683) 4.167 9.958 ( -0.057 2.028 6.835) 7.130 10.184 ( 0.866 0.164 -0.341) 0.945 10.253 ( -5.185 -3.141 -7.499) 9.643 11.149 ( 1.314 4.058 -2.701) 5.049 11.306 ( -2.062 0.731 -2.877) 3.614 11.643 ( -0.639 0.916 3.347) 3.528 11.994 ( 9.402 0.741 6.127) 11.247 12.296 ( 0.860 -0.411 8.158) 8.214 12.427 ( -4.131 -2.396 -6.685) 8.216 13.401 ( -1.270 0.561 -2.117) 2.531 13.457 ( -1.305 -1.407 -1.165) 2.245 14.226 ( -7.187 -3.050 -3.374) 8.505 14.647 ( 12.172 -7.636 2.723) 14.624 15.863 ( 9.840 -0.868 5.887) 11.500 15.962 ( 7.892 3.628 0.475) 8.699 18.226 ( -0.037 2.592 4.412) 5.117 19.123 ( 1.803 -4.017 -15.720) 16.325 20.347 ( -6.693 4.464 22.819) 24.196 21.132 ( -4.402 1.287 -11.233) 12.133 21.813 ( -1.340 0.741 -0.694) 1.681 21.904 ( -1.305 -1.545 -0.982) 2.248 ======================= Grid point 165 (75/141) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.950 27.893 -2.081) 28.125 2.411 ( 1.624 26.216 -2.737) 26.408 2.745 ( 13.199 13.705 13.157) 23.133 3.197 ( 4.398 15.483 0.319) 16.098 3.341 ( -2.322 -1.554 -3.340) 4.355 3.582 ( 7.359 4.941 0.235) 8.867 3.692 ( 4.276 1.134 2.129) 4.910 3.913 ( 15.564 0.714 5.731) 16.601 4.007 ( 1.778 0.074 -4.971) 5.280 4.071 ( 0.938 -4.789 -2.217) 5.360 4.276 ( -6.934 -7.337 -3.675) 10.743 4.316 ( -0.247 -11.232 11.255) 15.903 4.584 ( 4.887 -1.185 0.962) 5.119 4.633 ( -11.240 -14.209 -2.225) 18.253 4.780 ( 1.216 0.550 -6.508) 6.643 4.891 ( 4.319 1.530 0.068) 4.583 5.052 ( 3.075 -2.625 0.805) 4.123 5.061 ( -3.381 -4.782 2.101) 6.222 5.223 ( 2.569 -9.388 -0.217) 9.735 5.362 ( -3.236 0.934 3.400) 4.786 5.586 ( 0.377 -1.606 0.782) 1.826 5.599 ( 6.313 6.537 -3.288) 9.664 5.795 ( 3.054 3.557 -13.390) 14.187 5.889 ( 1.682 6.268 -1.502) 6.662 6.150 ( 1.731 2.827 1.264) 3.548 6.218 ( -0.953 -1.621 -0.635) 1.985 6.409 ( 0.632 -5.798 -4.051) 7.101 6.501 ( 6.996 -5.063 5.892) 10.454 6.738 ( -0.268 0.133 -1.011) 1.054 6.879 ( -2.653 -2.209 2.211) 4.099 7.063 ( -1.189 -2.606 2.477) 3.787 7.209 ( 5.502 -1.225 -0.411) 5.652 7.417 ( -0.966 -7.208 2.007) 7.545 7.550 ( -5.163 3.816 -2.736) 6.979 7.710 ( -1.031 6.233 -1.585) 6.513 7.806 ( -5.718 3.667 1.477) 6.951 8.179 ( -1.453 -4.631 -0.637) 4.895 8.272 ( -2.481 -3.521 1.106) 4.447 8.373 ( -7.082 0.991 -1.885) 7.395 8.426 ( -4.749 -1.632 -4.199) 6.546 8.562 ( -2.053 4.173 3.305) 5.705 9.048 ( 2.066 -2.450 3.000) 4.390 9.271 ( 14.179 -0.906 -5.687) 15.304 9.333 ( 12.564 -0.674 0.791) 12.606 9.880 ( -2.268 -2.369 3.463) 4.769 9.924 ( -2.231 2.456 3.444) 4.783 10.189 ( 0.613 -1.020 -2.984) 3.213 10.292 ( 3.521 -2.642 5.953) 7.404 11.098 ( -0.256 3.860 -4.587) 6.001 11.236 ( -3.105 1.329 -3.343) 4.752 11.603 ( -4.870 2.060 3.081) 6.120 12.118 ( 5.755 1.044 3.660) 6.900 12.333 ( -1.871 -0.913 -8.534) 8.784 12.410 ( 1.238 -3.877 7.774) 8.775 13.358 ( -2.530 -1.016 -2.060) 3.417 13.426 ( -0.711 3.096 -0.565) 3.227 14.184 ( -1.487 -3.896 -0.750) 4.237 14.916 ( 10.534 -10.580 -6.577) 16.315 16.011 ( 6.609 4.875 -2.448) 8.570 16.095 ( 6.022 -5.788 13.136) 15.567 18.227 ( 2.907 3.299 0.045) 4.398 19.127 ( 1.660 -3.795 -10.649) 11.426 20.234 ( -11.452 9.788 17.690) 23.235 21.022 ( -2.109 -0.853 -8.263) 8.571 21.787 ( -0.667 0.062 -1.169) 1.348 21.904 ( -0.738 -1.753 0.229) 1.916 ======================= Grid point 166 (76/141) ======================= q-point: (-0.10 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -1.483 22.652 -0.452) 22.705 2.272 ( 4.288 15.344 2.883) 16.190 2.875 ( 8.604 10.332 16.007) 20.905 2.894 ( -15.962 8.086 -4.594) 18.474 3.303 ( 7.487 7.201 -6.329) 12.164 3.605 ( -4.105 -0.024 -6.973) 8.092 3.872 ( 9.237 -2.788 6.521) 11.646 3.950 ( -3.504 1.715 -6.636) 7.698 4.065 ( 3.005 -2.238 -9.017) 9.764 4.223 ( -7.905 -9.567 0.500) 12.421 4.239 ( 12.867 1.512 4.346) 13.665 4.517 ( 3.266 -7.489 7.272) 10.938 4.570 ( -3.861 0.497 0.615) 3.941 4.739 ( 0.212 -2.503 -3.452) 4.269 4.770 ( 7.825 -10.493 -1.196) 13.144 4.927 ( 3.409 1.839 -1.059) 4.015 5.104 ( 2.248 -4.053 1.867) 4.997 5.169 ( 5.172 -1.639 2.518) 5.981 5.275 ( -6.023 -2.423 1.519) 6.667 5.396 ( 3.091 -4.901 4.733) 7.481 5.591 ( 3.334 3.027 -1.446) 4.730 5.641 ( 1.354 4.149 4.656) 6.382 5.740 ( 3.133 -2.583 -12.679) 13.314 5.862 ( 1.680 3.358 -2.545) 4.536 6.120 ( -3.107 0.517 0.632) 3.213 6.243 ( 2.024 1.142 2.574) 3.468 6.399 ( -2.339 -1.530 -4.499) 5.296 6.628 ( 3.178 -0.279 3.223) 4.534 6.718 ( -0.177 -1.066 -3.222) 3.398 6.869 ( -2.464 2.142 5.628) 6.506 7.107 ( 0.689 -3.577 1.075) 3.798 7.215 ( -3.649 2.878 6.315) 7.841 7.380 ( -6.159 6.385 -7.462) 11.592 7.514 ( -1.426 -2.933 3.279) 4.625 7.630 ( 3.208 -0.470 -5.177) 6.109 7.819 ( 5.377 -3.591 0.414) 6.479 8.148 ( -6.911 -0.053 0.503) 6.929 8.247 ( -2.083 1.182 3.895) 4.573 8.271 ( -0.942 -0.092 -7.635) 7.694 8.393 ( -1.346 -5.517 -1.999) 6.020 8.496 ( -3.423 2.312 1.556) 4.414 9.052 ( -3.730 1.129 3.728) 5.393 9.470 ( 11.144 -0.637 -4.670) 12.099 9.535 ( 9.811 -0.720 -0.044) 9.838 9.875 ( -2.967 -1.438 4.633) 5.687 9.903 ( 0.418 1.571 1.270) 2.064 10.199 ( 0.619 -1.299 -1.620) 2.167 10.396 ( 2.401 -0.882 7.469) 7.895 11.042 ( -0.483 0.961 -3.531) 3.691 11.173 ( -1.361 0.859 -2.021) 2.584 11.496 ( -6.503 1.616 1.498) 6.866 12.185 ( -2.313 -1.688 0.584) 2.922 12.264 ( 3.046 2.556 -9.658) 10.444 12.505 ( 0.725 -3.708 6.674) 7.669 13.335 ( -1.001 -1.650 -0.293) 1.952 13.397 ( 1.959 4.524 2.132) 5.371 14.216 ( 1.150 -1.594 0.361) 1.998 15.083 ( 6.782 -5.888 -18.892) 20.918 16.039 ( 3.172 2.132 -0.754) 3.895 16.278 ( -3.572 -8.742 19.196) 21.394 18.278 ( 9.066 1.694 -5.917) 10.958 19.143 ( 0.486 -2.776 -4.227) 5.080 19.977 ( -13.221 12.849 8.647) 20.363 21.012 ( 1.193 -2.624 -1.840) 3.419 21.784 ( 0.634 -0.763 -1.435) 1.745 21.911 ( -0.635 -1.002 1.144) 1.648 ======================= Grid point 173 (77/141) ======================= q-point: (-0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 11.379 0.000 7.489) 13.622 2.770 ( 24.829 0.000 -9.101) 26.444 2.933 ( 20.654 0.000 2.773) 20.839 2.986 ( 12.680 0.000 6.963) 14.466 3.224 ( 3.116 0.000 4.233) 5.257 3.650 ( 4.986 0.000 0.293) 4.994 3.667 ( 4.934 0.000 13.195) 14.088 3.894 ( 2.295 0.000 -5.470) 5.932 3.944 ( -5.358 -0.000 -10.197) 11.519 4.104 ( -15.871 -0.000 0.652) 15.884 4.279 ( 0.077 0.000 -1.409) 1.411 4.291 ( -18.058 -0.000 4.748) 18.672 4.502 ( -2.169 -0.000 -7.570) 7.875 4.551 ( -18.808 -0.000 1.792) 18.893 4.750 ( 6.683 0.000 3.541) 7.563 4.788 ( 4.218 0.000 -1.034) 4.343 5.016 ( -1.939 -0.000 10.243) 10.425 5.061 ( -2.085 -0.000 -7.023) 7.326 5.121 ( -7.312 -0.000 -0.352) 7.320 5.467 ( -2.193 -0.000 -3.846) 4.428 5.499 ( 4.347 0.000 -5.079) 6.685 5.626 ( 11.310 0.000 6.518) 13.054 5.844 ( 5.415 0.000 -7.511) 9.260 5.996 ( 4.820 0.000 -4.867) 6.850 6.067 ( -2.801 -0.000 -1.156) 3.030 6.139 ( 15.385 0.000 0.242) 15.387 6.227 ( 1.420 0.000 5.232) 5.421 6.246 ( 4.536 0.000 6.125) 7.622 6.630 ( -1.741 -0.000 0.614) 1.847 6.933 ( 0.993 0.000 -11.005) 11.050 7.080 ( -3.918 -0.000 -0.564) 3.959 7.105 ( 4.861 0.000 -6.248) 7.916 7.431 ( -2.815 -0.000 9.743) 10.142 7.587 ( -3.677 -0.000 7.297) 8.171 7.800 ( 0.405 0.000 -4.188) 4.207 8.074 ( -1.057 -0.000 0.589) 1.210 8.102 ( 1.069 0.000 -4.291) 4.422 8.176 ( -9.630 -0.000 1.730) 9.784 8.424 ( 1.578 0.000 -1.921) 2.486 8.510 ( -3.867 -0.000 -2.477) 4.593 8.668 ( 0.773 0.000 3.613) 3.695 8.897 ( 1.778 0.000 3.345) 3.788 9.113 ( 7.820 0.000 -9.405) 12.231 9.163 ( 9.592 0.000 1.282) 9.677 9.849 ( -2.627 -0.000 2.344) 3.520 9.981 ( 1.602 0.000 10.643) 10.763 10.192 ( 1.367 0.000 -0.485) 1.450 10.216 ( -6.905 -0.000 -9.318) 11.597 11.196 ( 1.859 0.000 -3.197) 3.698 11.308 ( -2.928 -0.000 -1.816) 3.445 11.652 ( -0.444 -0.000 3.654) 3.681 11.998 ( 10.420 0.000 7.889) 13.069 12.304 ( -1.058 -0.000 8.525) 8.590 12.395 ( -3.497 -0.000 -9.134) 9.780 13.411 ( -3.143 -0.000 -3.516) 4.716 13.439 ( 2.401 0.000 1.107) 2.644 14.194 ( -7.664 -0.000 -3.370) 8.372 14.573 ( 11.282 0.000 2.017) 11.461 15.857 ( 9.212 0.000 5.645) 10.805 16.000 ( 7.755 0.000 -0.675) 7.784 18.253 ( 0.231 0.000 4.196) 4.203 19.081 ( 2.667 0.000 -15.983) 16.204 20.393 ( -5.381 -0.000 23.660) 24.264 21.144 ( -5.295 -0.000 -11.888) 13.014 21.826 ( -1.182 -0.000 -0.182) 1.196 21.881 ( -2.318 -0.000 -1.029) 2.536 ======================= Grid point 175 (78/141) ======================= q-point: (-0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 8.439 13.893 4.089) 16.762 2.887 ( 4.075 18.656 -4.481) 19.614 3.062 ( 8.500 16.874 7.280) 20.248 3.280 ( 7.614 -0.142 -0.436) 7.628 3.359 ( 11.176 -3.424 3.599) 12.230 3.707 ( -7.002 7.104 5.108) 11.206 3.742 ( 0.247 1.960 -5.690) 6.023 3.885 ( 0.041 -5.461 2.589) 6.044 3.919 ( 0.268 -7.645 2.952) 8.200 3.952 ( 0.493 -6.123 4.309) 7.504 4.071 ( -6.631 -6.066 1.101) 9.055 4.198 ( -4.756 -1.865 -9.198) 10.521 4.367 ( -9.844 -7.860 4.660) 13.431 4.555 ( 5.979 -1.858 -0.700) 6.300 4.805 ( 2.665 1.237 -7.044) 7.632 4.891 ( 6.558 -0.401 2.324) 6.969 5.008 ( 0.748 -1.633 -3.656) 4.073 5.039 ( -2.280 0.109 0.550) 2.347 5.098 ( 3.834 -2.838 3.196) 5.741 5.376 ( -5.707 0.413 -1.483) 5.911 5.530 ( 1.227 -2.298 -3.939) 4.723 5.773 ( 8.033 9.228 -2.225) 12.435 5.866 ( 4.229 2.761 -8.966) 10.291 5.993 ( 0.973 1.862 -1.359) 2.502 6.118 ( 2.343 -6.746 -4.166) 8.267 6.263 ( 6.020 6.325 5.741) 10.450 6.329 ( 0.710 -1.272 1.394) 2.016 6.370 ( 6.630 -5.415 6.110) 10.517 6.638 ( -1.297 -7.397 3.531) 8.299 6.892 ( 0.798 3.197 -5.912) 6.769 7.016 ( -4.597 -2.734 0.093) 5.349 7.181 ( 7.907 -2.319 -5.837) 10.098 7.418 ( -1.937 5.713 9.139) 10.950 7.564 ( -5.164 -2.288 4.491) 7.216 7.797 ( 3.387 2.311 -5.099) 6.543 7.938 ( -8.094 8.549 0.664) 11.792 8.093 ( -2.199 -3.019 -2.162) 4.316 8.138 ( -2.457 -8.545 0.664) 8.916 8.386 ( -5.461 0.246 1.252) 5.608 8.416 ( -4.798 0.080 -6.006) 7.688 8.646 ( -3.401 3.093 2.485) 5.225 8.999 ( 5.801 -1.942 2.378) 6.564 9.258 ( 14.423 -0.325 -6.830) 15.962 9.327 ( 10.780 -0.066 1.160) 10.842 9.836 ( -1.233 -1.351 1.665) 2.474 9.945 ( -7.150 -0.009 3.996) 8.191 10.202 ( 3.220 1.892 1.016) 3.870 10.245 ( 4.260 -2.285 4.835) 6.837 11.166 ( -1.216 2.497 -6.110) 6.712 11.245 ( -3.500 -0.310 -2.716) 4.441 11.632 ( -4.570 0.776 3.472) 5.792 12.136 ( 3.446 0.550 4.016) 5.321 12.321 ( 0.519 -0.177 -9.080) 9.096 12.356 ( 1.108 -1.599 8.140) 8.369 13.345 ( -3.102 -0.334 -2.652) 4.095 13.479 ( 2.231 1.766 1.444) 3.191 14.119 ( -1.629 -2.144 0.539) 2.746 14.761 ( 10.736 -4.332 -5.236) 12.706 16.051 ( 9.553 -0.294 9.864) 13.735 16.070 ( 3.139 1.293 -4.014) 5.257 18.276 ( 2.339 1.411 0.407) 2.762 19.076 ( 4.062 -1.299 -11.969) 12.706 20.387 ( -7.443 4.803 23.280) 24.908 20.992 ( -6.060 -1.511 -12.894) 14.327 21.799 ( -1.172 1.280 -0.442) 1.790 21.856 ( -1.916 -2.556 0.098) 3.196 ======================= Grid point 176 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -4.569 29.579 -0.868) 29.942 2.633 ( -4.760 20.180 -1.564) 20.792 3.061 ( -23.599 5.812 1.784) 24.370 3.106 ( 5.511 13.676 11.043) 18.422 3.398 ( 1.953 3.232 -3.656) 5.256 3.650 ( -1.554 3.917 -6.210) 7.505 3.753 ( 2.782 -9.262 3.190) 10.183 3.966 ( -0.834 -0.175 -1.562) 1.779 3.996 ( -1.989 -5.508 -8.243) 10.111 4.049 ( -1.014 -8.795 3.393) 9.481 4.172 ( 10.744 -12.742 7.647) 18.338 4.292 ( 6.191 -6.534 2.944) 9.470 4.429 ( 0.551 -10.055 5.382) 11.418 4.649 ( 4.323 -1.548 0.974) 4.694 4.769 ( 0.166 2.455 -14.761) 14.965 4.912 ( -1.524 -1.679 -3.411) 4.096 5.063 ( 4.800 -0.892 2.058) 5.298 5.140 ( 9.556 -1.449 4.332) 10.592 5.223 ( 4.156 -4.286 1.413) 6.135 5.302 ( -2.239 -1.523 3.519) 4.440 5.546 ( -0.466 -2.864 -3.083) 4.234 5.760 ( 3.689 5.855 -4.003) 7.995 5.824 ( 1.043 5.365 -3.391) 6.433 5.984 ( 1.755 5.656 -3.319) 6.789 6.127 ( -0.873 2.254 -5.704) 6.196 6.294 ( -0.557 2.522 -0.202) 2.591 6.368 ( 5.382 0.909 5.528) 7.768 6.531 ( 1.703 -8.372 4.568) 9.688 6.711 ( -1.177 -2.918 1.324) 3.414 6.856 ( 0.515 0.086 0.497) 0.720 7.029 ( 1.234 -4.155 1.826) 4.703 7.329 ( 6.027 1.697 -2.558) 6.763 7.363 ( -2.071 -1.377 6.251) 6.728 7.487 ( -3.710 2.262 -3.894) 5.835 7.731 ( -6.752 7.307 0.792) 9.980 7.821 ( 4.983 2.536 -2.612) 6.171 8.090 ( -3.857 -4.308 1.555) 5.988 8.202 ( -0.021 -6.955 0.476) 6.972 8.285 ( -4.927 1.731 0.307) 5.231 8.331 ( -1.359 -0.157 -4.765) 4.957 8.548 ( -5.390 2.384 -0.068) 5.895 9.074 ( 1.482 0.965 0.367) 1.806 9.464 ( 12.697 0.068 -4.400) 13.438 9.519 ( 10.930 -0.902 1.711) 11.100 9.836 ( -2.294 -1.603 2.099) 3.498 9.883 ( -4.051 -3.029 3.309) 6.045 10.222 ( 2.005 2.733 0.893) 3.505 10.372 ( 3.994 -1.449 8.022) 9.077 11.073 ( -3.152 1.795 -6.538) 7.477 11.184 ( -2.065 0.244 -2.625) 3.349 11.528 ( -7.866 1.382 1.672) 8.159 12.161 ( -1.576 -0.786 -0.082) 1.763 12.302 ( 3.808 1.299 -9.105) 9.954 12.444 ( 1.707 -2.298 7.558) 8.082 13.306 ( -1.578 -1.116 -0.061) 1.933 13.490 ( 2.262 4.302 2.556) 5.491 14.176 ( 3.573 -2.120 3.623) 5.512 14.940 ( 9.900 -7.225 -15.040) 19.401 16.031 ( -3.716 -0.438 -4.766) 6.059 16.241 ( 5.572 0.992 15.351) 16.361 18.320 ( 7.342 2.013 -4.889) 9.047 19.108 ( 4.074 -0.877 -7.309) 8.414 20.244 ( -11.443 13.802 15.568) 23.744 20.913 ( -2.548 -7.421 -6.155) 9.972 21.771 ( -0.836 0.103 -0.538) 1.000 21.864 ( -1.161 -3.344 0.647) 3.599 ======================= Grid point 177 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.937 23.489 2.208) 23.672 2.291 ( -18.395 9.768 -0.292) 20.830 2.633 ( -20.895 0.903 -2.511) 21.065 3.142 ( 4.077 9.965 12.163) 16.244 3.317 ( -5.432 0.581 -6.607) 8.573 3.591 ( 0.063 4.789 0.401) 4.806 3.852 ( 0.275 -6.386 -4.316) 7.713 3.935 ( 1.826 1.826 -9.200) 9.555 4.025 ( 3.624 -5.396 -9.101) 11.184 4.098 ( -3.949 -3.247 4.251) 6.649 4.324 ( -4.860 -5.726 4.827) 8.928 4.504 ( 1.708 -7.942 8.794) 11.972 4.523 ( -0.260 -1.455 -2.941) 3.291 4.670 ( -2.780 -3.455 -2.481) 5.081 4.798 ( 7.042 -12.340 0.080) 14.208 4.883 ( -3.799 -2.574 -0.646) 4.634 5.158 ( 3.534 -0.879 -0.632) 3.696 5.195 ( -3.145 1.788 -0.427) 3.642 5.336 ( 10.509 0.974 5.407) 11.858 5.454 ( 6.278 -1.845 7.595) 10.026 5.546 ( -0.361 -3.543 -3.323) 4.871 5.730 ( 0.055 5.252 1.944) 5.601 5.820 ( 5.341 4.088 -0.171) 6.728 5.903 ( 0.033 6.323 -5.007) 8.065 6.056 ( -2.712 -0.183 -2.309) 3.567 6.242 ( -0.709 1.354 -4.102) 4.378 6.465 ( 3.994 2.356 3.551) 5.841 6.633 ( 1.289 -4.832 1.260) 5.158 6.717 ( 2.421 -0.711 0.193) 2.530 6.878 ( 0.043 1.623 3.633) 3.979 7.099 ( 1.596 -0.939 -1.562) 2.423 7.256 ( -1.390 5.721 1.027) 5.976 7.308 ( -6.877 4.918 3.001) 8.972 7.508 ( -0.106 0.390 1.576) 1.627 7.650 ( 4.581 -2.665 -5.880) 7.916 7.906 ( 7.743 -1.163 -2.275) 8.154 8.033 ( -6.522 -0.431 1.768) 6.771 8.225 ( -0.730 0.234 0.883) 1.169 8.268 ( -1.129 -5.776 1.533) 6.082 8.361 ( 5.881 1.415 -1.435) 6.217 8.464 ( -0.544 -0.765 -4.605) 4.700 9.033 ( -3.637 4.052 1.626) 5.682 9.557 ( 1.807 1.928 -5.679) 6.264 9.656 ( 4.397 0.436 0.668) 4.469 9.799 ( -5.791 -1.750 3.565) 7.022 9.920 ( 2.057 -3.651 2.317) 4.788 10.222 ( 0.770 1.847 -0.129) 2.005 10.459 ( 1.579 0.400 8.044) 8.208 11.010 ( -0.680 -1.356 -2.788) 3.174 11.160 ( -0.064 -0.135 -0.703) 0.718 11.409 ( -5.048 -0.025 -1.617) 5.301 12.097 ( -4.387 0.133 -6.328) 7.701 12.320 ( 4.057 2.294 -5.618) 7.300 12.517 ( 0.477 -2.239 6.485) 6.877 13.323 ( 1.652 -1.314 2.236) 3.075 13.507 ( 2.930 3.934 4.734) 6.817 14.269 ( 4.631 1.285 3.769) 6.108 15.030 ( 6.066 -3.375 -27.668) 28.525 15.954 ( -7.635 -7.227 -1.351) 10.599 16.318 ( -3.517 4.993 19.850) 20.769 18.436 ( 13.409 1.786 -8.378) 15.912 19.149 ( 3.475 0.155 -2.046) 4.036 19.938 ( -13.409 15.526 6.405) 21.491 20.979 ( 1.408 -8.153 0.940) 8.327 21.772 ( 0.297 -1.979 -0.864) 2.180 21.883 ( -1.061 -2.896 1.238) 3.323 ======================= Grid point 185 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -7.746 -0.000 -2.345) 8.093 2.991 ( -6.357 -0.000 -7.811) 10.071 3.124 ( -20.485 -0.000 -5.788) 21.287 3.252 ( -0.300 -0.000 13.786) 13.789 3.462 ( 0.296 0.000 2.897) 2.912 3.559 ( -8.769 -0.000 5.056) 10.122 3.730 ( -3.257 -0.000 -3.064) 4.472 3.811 ( 11.145 0.000 6.043) 12.678 3.906 ( -5.314 -0.000 1.213) 5.451 3.997 ( 2.598 0.000 1.928) 3.235 4.038 ( 8.814 0.000 -0.669) 8.840 4.252 ( 5.770 0.000 -4.601) 7.380 4.322 ( 3.155 0.000 8.774) 9.324 4.637 ( 4.221 0.000 0.905) 4.317 4.794 ( 1.082 0.000 -16.592) 16.627 4.895 ( -1.764 -0.000 -3.629) 4.035 5.054 ( 4.548 0.000 0.521) 4.577 5.122 ( 11.650 0.000 1.557) 11.754 5.173 ( 5.280 0.000 2.657) 5.911 5.295 ( -3.605 -0.000 4.202) 5.537 5.518 ( 1.016 0.000 -1.689) 1.971 5.810 ( -0.513 -0.000 -8.750) 8.766 5.900 ( -2.327 -0.000 -2.908) 3.725 6.022 ( 5.575 0.000 -2.993) 6.328 6.190 ( 7.219 0.000 -2.274) 7.569 6.299 ( -5.156 -0.000 -0.898) 5.234 6.385 ( 4.119 0.000 3.537) 5.429 6.478 ( 5.486 0.000 3.429) 6.470 6.615 ( 1.280 0.000 9.135) 9.224 6.890 ( -5.995 -0.000 -0.339) 6.005 6.967 ( 5.970 0.000 -1.094) 6.070 7.259 ( 7.370 0.000 -3.500) 8.159 7.470 ( -6.087 -0.000 1.665) 6.311 7.477 ( -0.568 -0.000 3.276) 3.325 7.832 ( -10.604 -0.000 1.688) 10.737 7.859 ( 4.347 0.000 -3.047) 5.308 8.037 ( -0.926 -0.000 -0.398) 1.008 8.098 ( 1.032 0.000 1.889) 2.152 8.304 ( -6.860 -0.000 5.674) 8.903 8.334 ( 1.083 0.000 -9.900) 9.960 8.574 ( -7.594 -0.000 -0.317) 7.601 9.085 ( 4.908 0.000 -2.030) 5.312 9.468 ( 14.404 0.000 -4.534) 15.101 9.507 ( 10.494 0.000 3.235) 10.981 9.822 ( -1.082 -0.000 1.716) 2.028 9.842 ( -7.229 -0.000 3.379) 7.979 10.259 ( 1.314 0.000 1.835) 2.257 10.352 ( 5.336 0.000 8.388) 9.941 11.094 ( -4.389 -0.000 -7.961) 9.091 11.185 ( -2.097 -0.000 -2.532) 3.288 11.543 ( -8.233 -0.000 1.812) 8.430 12.153 ( -1.562 -0.000 -0.482) 1.634 12.315 ( 4.267 0.000 -8.787) 9.768 12.421 ( 2.029 0.000 7.869) 8.127 13.294 ( -1.729 -0.000 -0.018) 1.729 13.538 ( 2.098 0.000 2.536) 3.291 14.151 ( 4.839 0.000 5.777) 7.536 14.860 ( 10.266 0.000 -14.225) 17.543 16.032 ( -4.281 -0.000 -8.379) 9.409 16.253 ( 6.978 0.000 16.236) 17.672 18.341 ( 6.970 0.000 -4.873) 8.505 19.101 ( 5.332 0.000 -8.515) 10.047 20.427 ( -6.254 -0.000 25.616) 26.368 20.795 ( -7.988 -0.000 -15.210) 17.180 21.800 ( -0.141 -0.000 -0.606) 0.622 21.800 ( -2.679 -0.000 0.925) 2.834 ======================= Grid point 186 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -22.710 6.738 -5.536) 24.327 2.583 ( -29.170 5.719 -6.159) 30.356 2.738 ( -12.397 17.005 -1.605) 21.105 3.307 ( -5.828 -3.793 10.533) 12.621 3.379 ( 1.274 13.221 6.146) 14.636 3.577 ( -8.641 -6.240 -1.053) 10.711 3.696 ( 5.330 -8.858 -8.197) 13.194 3.950 ( 6.361 4.189 3.530) 8.395 4.009 ( 3.221 1.217 -13.350) 13.787 4.027 ( 3.996 -4.135 7.641) 9.563 4.164 ( -14.546 -6.573 -3.300) 16.300 4.262 ( 6.484 -12.425 16.402) 21.574 4.463 ( 6.802 -1.624 3.339) 7.750 4.658 ( -3.605 -0.718 -5.649) 6.740 4.693 ( -0.501 -0.089 -10.820) 10.832 4.856 ( -2.668 -0.405 0.233) 2.708 5.151 ( 5.797 0.016 -1.138) 5.907 5.227 ( -0.518 1.057 1.860) 2.201 5.288 ( 5.537 -2.869 -2.287) 6.642 5.410 ( 13.206 -1.148 8.303) 15.642 5.570 ( 6.640 1.994 3.934) 7.971 5.763 ( -1.340 -0.494 -2.716) 3.069 5.896 ( 3.933 2.347 -0.606) 4.620 5.990 ( -4.127 1.735 -3.915) 5.947 6.136 ( -4.770 6.276 -5.005) 9.338 6.281 ( 2.144 0.710 -3.111) 3.844 6.486 ( 2.199 0.173 0.547) 2.273 6.552 ( 4.205 -1.754 6.010) 7.542 6.675 ( 0.158 -2.599 2.791) 3.817 6.881 ( 3.780 -0.667 4.541) 5.946 7.070 ( 5.532 -1.054 -0.484) 5.653 7.347 ( -0.873 1.856 -4.763) 5.186 7.366 ( -2.240 0.867 3.692) 4.404 7.485 ( 3.512 -0.226 -2.789) 4.490 7.677 ( -6.755 2.779 2.262) 7.647 7.901 ( 3.909 -0.023 -4.161) 5.710 8.039 ( -0.845 1.125 3.130) 3.432 8.135 ( -1.093 -5.080 2.940) 5.970 8.240 ( -3.646 0.238 5.951) 6.983 8.397 ( 10.707 1.235 -6.289) 12.479 8.440 ( -5.896 -1.087 -4.677) 7.604 9.102 ( 0.107 2.295 -3.904) 4.530 9.609 ( 4.272 3.000 -3.200) 6.123 9.660 ( 4.454 -0.010 0.780) 4.522 9.762 ( -5.377 -2.221 5.975) 8.339 9.831 ( 1.521 -3.443 0.848) 3.858 10.261 ( -1.135 1.313 0.572) 1.827 10.463 ( 3.429 0.054 8.588) 9.248 10.996 ( -2.680 -0.201 -4.959) 5.640 11.156 ( -0.421 -0.161 -1.322) 1.397 11.414 ( -6.903 0.306 -1.704) 7.117 12.096 ( -3.722 -0.088 -6.087) 7.135 12.354 ( 5.134 0.939 -6.146) 8.063 12.485 ( 0.916 -0.918 7.134) 7.251 13.306 ( 2.310 -0.444 2.928) 3.755 13.567 ( 1.193 1.787 3.634) 4.222 14.292 ( 7.753 0.903 8.155) 11.288 14.944 ( 9.162 -3.619 -25.095) 26.959 15.879 ( -9.229 -1.182 -9.559) 13.340 16.392 ( -0.923 2.090 22.698) 22.812 18.469 ( 14.412 1.089 -9.517) 17.306 19.147 ( 4.295 -0.204 -5.335) 6.852 20.308 ( -9.504 20.637 12.278) 25.825 20.728 ( -3.537 -16.968 -1.349) 17.385 21.756 ( -1.670 0.643 0.534) 1.867 21.816 ( -0.628 -3.188 -0.047) 3.249 ======================= Grid point 187 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -28.296 4.592 -1.629) 28.713 2.052 ( -27.855 -2.755 -7.150) 28.890 2.441 ( -4.612 13.440 2.656) 14.455 3.184 ( -6.611 6.870 -5.215) 10.868 3.373 ( -0.609 5.035 11.615) 12.674 3.482 ( -7.039 -6.056 3.375) 9.880 3.769 ( -23.860 -2.628 -3.983) 24.333 3.854 ( -3.937 -10.103 -12.543) 16.580 3.915 ( 3.021 1.927 -7.569) 8.375 4.078 ( 3.434 2.343 5.942) 7.251 4.226 ( 3.382 -8.411 2.380) 9.373 4.448 ( -7.305 -0.808 -1.522) 7.505 4.493 ( -1.563 -4.173 4.137) 6.080 4.610 ( 2.212 -3.139 -0.759) 3.915 4.751 ( -1.617 -5.544 1.502) 5.968 4.827 ( 0.941 -4.902 4.386) 6.645 5.186 ( 0.332 1.427 -1.478) 2.081 5.214 ( 2.278 3.908 -1.170) 4.673 5.331 ( -3.286 -6.537 -2.386) 7.696 5.632 ( 8.023 4.859 6.931) 11.663 5.694 ( 9.478 7.370 5.081) 13.037 5.753 ( -0.170 0.767 -0.714) 1.061 5.904 ( 2.058 -0.044 -0.741) 2.187 5.949 ( 1.003 2.607 0.218) 2.802 6.036 ( 3.544 0.656 -2.022) 4.132 6.279 ( 3.757 3.635 -2.093) 5.631 6.462 ( -1.570 -1.007 -5.556) 5.861 6.635 ( -0.998 -3.410 2.053) 4.104 6.755 ( 1.795 -1.075 8.787) 9.033 6.992 ( 9.653 3.765 -2.348) 10.624 7.121 ( 1.858 2.135 -3.163) 4.244 7.258 ( 0.052 1.431 -4.721) 4.933 7.308 ( -6.039 6.103 10.505) 13.567 7.517 ( -0.550 2.293 -0.509) 2.412 7.673 ( 6.092 -4.498 -4.530) 8.824 7.944 ( 0.952 -1.473 -4.194) 4.546 8.016 ( 1.171 1.516 3.057) 3.608 8.191 ( -1.926 -6.181 5.292) 8.362 8.226 ( -1.467 0.456 1.396) 2.076 8.369 ( -0.286 -4.038 -1.626) 4.363 8.592 ( 16.546 2.775 -7.539) 18.394 9.016 ( -4.400 4.342 -1.328) 6.323 9.499 ( -9.070 3.072 -4.009) 10.381 9.601 ( -10.236 -0.862 -0.225) 10.274 9.785 ( 1.577 1.102 5.092) 5.444 9.943 ( 4.284 -4.172 0.481) 5.999 10.218 ( -2.380 0.255 0.148) 2.398 10.545 ( 3.358 1.654 7.077) 8.006 10.982 ( 0.425 -2.164 -0.448) 2.250 11.155 ( -0.503 -0.220 0.725) 0.910 11.331 ( -1.390 -1.803 -4.629) 5.159 11.986 ( -5.463 0.008 -8.137) 9.801 12.385 ( 3.885 2.959 -4.046) 6.342 12.538 ( 0.571 -1.228 5.906) 6.060 13.399 ( 6.916 0.217 3.055) 7.564 13.581 ( 0.093 1.484 4.682) 4.912 14.420 ( 7.083 4.992 6.244) 10.680 14.938 ( 4.289 -0.880 -37.852) 38.104 15.714 ( -10.954 -6.966 -4.557) 13.758 16.377 ( -10.190 5.972 24.374) 27.085 18.667 ( 17.167 4.197 -8.872) 19.774 19.210 ( 5.585 -2.518 -1.482) 6.304 19.936 ( -12.470 22.937 3.024) 26.282 20.908 ( 2.243 -15.466 6.433) 16.900 21.748 ( -0.394 -2.360 0.109) 2.395 21.838 ( -0.972 -3.530 0.553) 3.703 ======================= Grid point 196 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -31.677 -0.000 -6.145) 32.268 2.051 ( -33.599 -0.000 -5.713) 34.081 2.647 ( -9.491 -0.000 -2.918) 9.930 3.281 ( -9.171 -0.000 11.062) 14.369 3.341 ( -13.435 -0.000 6.661) 14.996 3.517 ( 2.651 0.000 -12.782) 13.054 3.627 ( 0.981 0.000 -1.525) 1.813 3.751 ( -19.884 -0.000 -1.758) 19.962 3.949 ( -4.100 -0.000 -10.992) 11.731 4.116 ( 5.523 0.000 -1.534) 5.732 4.203 ( 4.560 0.000 11.181) 12.075 4.307 ( -0.579 -0.000 16.905) 16.915 4.495 ( -7.089 -0.000 -13.007) 14.813 4.568 ( 5.024 0.000 1.939) 5.385 4.691 ( 3.708 0.000 -0.881) 3.811 4.804 ( -4.967 -0.000 3.082) 5.845 5.206 ( 1.379 0.000 -1.885) 2.335 5.260 ( -2.940 -0.000 -2.327) 3.749 5.262 ( 3.523 0.000 0.083) 3.524 5.686 ( 14.719 0.000 7.979) 16.743 5.730 ( -1.221 -0.000 0.896) 1.514 5.784 ( 12.549 0.000 5.949) 13.888 5.902 ( -2.940 -0.000 -3.827) 4.826 5.971 ( -1.080 -0.000 0.060) 1.082 6.055 ( 1.385 0.000 -5.155) 5.338 6.318 ( 2.394 0.000 -2.458) 3.431 6.498 ( 0.152 0.000 -8.876) 8.877 6.555 ( -2.351 -0.000 6.617) 7.023 6.736 ( 2.586 0.000 11.160) 11.455 7.034 ( 12.238 0.000 -0.179) 12.239 7.136 ( 3.995 0.000 -3.640) 5.405 7.287 ( -4.136 -0.000 -0.375) 4.153 7.372 ( -1.170 -0.000 -2.188) 2.481 7.551 ( 7.248 0.000 -3.130) 7.895 7.605 ( -4.896 -0.000 4.730) 6.808 7.933 ( 4.150 0.000 -5.677) 7.032 8.052 ( -3.870 -0.000 8.044) 8.927 8.111 ( -0.925 -0.000 4.040) 4.145 8.266 ( 4.460 0.000 1.798) 4.809 8.283 ( -7.333 -0.000 -4.454) 8.580 8.624 ( 17.763 0.000 -6.387) 18.876 9.063 ( -3.699 -0.000 -5.559) 6.677 9.545 ( -11.089 -0.000 -2.730) 11.420 9.583 ( -9.159 -0.000 0.180) 9.161 9.813 ( 1.584 0.000 10.459) 10.579 9.874 ( 6.561 0.000 -4.841) 8.154 10.223 ( -3.618 -0.000 0.269) 3.628 10.562 ( 4.117 0.000 7.043) 8.158 10.960 ( -0.033 -0.000 -0.929) 0.929 11.152 ( -0.192 -0.000 1.185) 1.200 11.316 ( -2.964 -0.000 -5.328) 6.097 11.986 ( -5.518 -0.000 -8.570) 10.193 12.416 ( 4.906 0.000 -4.062) 6.369 12.524 ( 0.710 0.000 6.293) 6.333 13.402 ( 7.705 0.000 3.384) 8.415 13.596 ( -0.701 -0.000 4.103) 4.162 14.484 ( 9.075 0.000 10.374) 13.783 14.908 ( 6.833 0.000 -38.175) 38.782 15.653 ( -11.487 -0.000 -10.519) 15.576 16.439 ( -10.142 -0.000 26.994) 28.836 18.715 ( 21.600 0.000 -11.001) 24.240 19.173 ( 2.052 0.000 -3.699) 4.230 20.384 ( -7.671 -0.000 -15.838) 17.598 20.548 ( -1.745 -0.000 29.137) 29.189 21.730 ( -2.412 -0.000 1.713) 2.959 21.793 ( 0.003 0.000 -1.288) 1.288 ======================= Grid point 197 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -33.879 -0.766 -6.093) 34.432 1.509 ( -29.956 -5.132 1.914) 30.452 2.502 ( -2.708 7.081 0.863) 7.630 2.835 ( -39.988 -7.615 2.876) 40.808 3.328 ( -9.752 6.503 -17.536) 21.093 3.370 ( 0.440 1.900 8.254) 8.481 3.566 ( -3.546 -8.412 -9.525) 13.193 3.702 ( -1.669 7.743 6.251) 10.090 3.855 ( -1.855 -5.757 -2.764) 6.650 4.094 ( -10.357 -1.852 1.597) 10.642 4.181 ( -8.212 -1.540 3.308) 8.986 4.321 ( -3.177 2.290 -3.053) 4.966 4.421 ( -1.901 -7.097 5.520) 9.190 4.650 ( 3.240 -0.720 3.747) 5.006 4.732 ( 0.005 2.604 0.650) 2.684 4.832 ( 4.283 -6.353 4.076) 8.679 5.193 ( 0.389 1.791 -4.380) 4.748 5.219 ( -3.077 -2.489 2.143) 4.501 5.321 ( 5.591 3.184 0.471) 6.452 5.720 ( -0.692 -0.268 0.681) 1.008 5.836 ( 2.376 6.874 -0.206) 7.276 5.854 ( -1.869 1.742 -4.954) 5.574 5.907 ( 6.505 2.196 -0.262) 6.871 6.032 ( 9.803 -3.638 4.235) 11.281 6.175 ( 9.927 0.645 2.822) 10.341 6.369 ( 5.367 -0.801 -0.082) 5.427 6.427 ( 0.898 3.476 -7.715) 8.510 6.576 ( -2.533 -3.126 6.126) 7.329 6.794 ( -2.238 -0.136 7.282) 7.620 7.109 ( -0.088 5.739 -3.194) 6.569 7.203 ( 6.111 -2.874 -5.092) 8.457 7.271 ( 4.643 3.396 -2.476) 6.263 7.294 ( -4.678 3.193 -0.355) 5.675 7.567 ( 2.741 3.745 4.878) 6.732 7.706 ( 6.138 -6.228 -1.772) 8.922 7.945 ( -0.530 3.541 -0.413) 3.605 8.036 ( 0.563 -2.453 0.811) 2.644 8.109 ( -6.184 -4.256 5.763) 9.464 8.202 ( 1.475 -1.109 -4.451) 4.818 8.372 ( 4.789 -2.822 -1.928) 5.884 8.846 ( 12.657 4.224 -4.858) 14.200 8.965 ( -3.223 0.420 -0.727) 3.331 9.327 ( -11.821 2.517 -4.971) 13.069 9.386 ( -15.146 -0.714 -0.631) 15.176 9.842 ( -1.179 1.808 7.534) 7.838 9.962 ( 4.044 -3.780 -4.076) 6.874 10.182 ( -1.854 -0.444 1.767) 2.600 10.653 ( 4.660 1.321 3.560) 6.012 10.971 ( -0.283 -1.352 1.572) 2.092 11.130 ( -2.969 0.425 -2.585) 3.960 11.304 ( 2.829 -2.248 -0.360) 3.631 11.853 ( -6.086 -0.233 -6.913) 9.213 12.461 ( 3.909 2.771 -2.384) 5.351 12.569 ( 1.430 -0.602 4.144) 4.425 13.553 ( 8.242 1.463 1.145) 8.449 13.591 ( -0.887 -0.334 3.085) 3.227 14.622 ( 6.415 8.446 -4.181) 11.400 14.773 ( 1.015 -1.746 -39.523) 39.574 15.455 ( -10.639 -5.116 -4.543) 12.649 16.322 ( -17.801 3.495 25.287) 31.121 18.970 ( 16.074 10.021 -6.365) 19.983 19.236 ( 5.802 -9.227 -1.148) 10.959 20.033 ( -6.536 27.364 -5.586) 28.683 20.832 ( 4.440 -20.110 18.478) 27.669 21.715 ( -1.179 -2.394 1.440) 3.032 21.795 ( -0.584 -2.221 -0.932) 2.479 ======================= Grid point 207 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -30.904 -0.000 0.341) 30.906 1.000 ( -27.198 -0.000 15.448) 31.279 2.037 ( -53.622 -0.000 12.378) 55.032 2.568 ( 3.496 0.000 3.939) 5.267 3.150 ( -6.209 -0.000 -21.794) 22.661 3.185 ( -13.898 -0.000 -25.643) 29.168 3.628 ( 6.649 0.000 16.215) 17.525 3.671 ( -6.674 -0.000 -4.104) 7.835 3.860 ( 0.822 0.000 6.753) 6.803 3.875 ( -11.108 -0.000 1.252) 11.179 4.003 ( -9.375 -0.000 -3.039) 9.855 4.271 ( -6.545 -0.000 6.297) 9.083 4.408 ( 2.029 0.000 0.822) 2.189 4.700 ( -0.686 -0.000 8.033) 8.062 4.768 ( 3.746 0.000 -2.078) 4.284 4.876 ( 1.784 0.000 3.068) 3.549 5.168 ( -3.922 -0.000 3.584) 5.313 5.219 ( 4.313 0.000 -5.431) 6.935 5.445 ( 6.587 0.000 3.098) 7.279 5.725 ( 1.415 0.000 -0.270) 1.441 5.771 ( -3.038 -0.000 -7.398) 7.998 5.856 ( -0.238 -0.000 -7.168) 7.171 6.040 ( 5.224 0.000 -0.702) 5.271 6.175 ( 7.426 0.000 2.721) 7.909 6.314 ( 4.192 0.000 -0.916) 4.291 6.408 ( 2.111 0.000 -9.016) 9.260 6.489 ( 5.831 0.000 6.478) 8.715 6.616 ( 3.621 0.000 13.281) 13.766 6.748 ( -4.968 -0.000 1.810) 5.287 7.151 ( 1.027 0.000 -10.795) 10.844 7.161 ( -1.800 -0.000 5.995) 6.259 7.207 ( -4.223 -0.000 -4.592) 6.239 7.431 ( 10.973 0.000 -5.329) 12.199 7.682 ( 4.003 0.000 5.688) 6.955 7.746 ( 4.094 0.000 3.087) 5.127 7.977 ( -3.879 -0.000 3.292) 5.088 7.981 ( -4.392 -0.000 7.118) 8.364 8.027 ( 2.388 0.000 -6.510) 6.935 8.224 ( 4.118 0.000 -4.620) 6.189 8.388 ( -1.152 -0.000 -1.863) 2.191 8.908 ( -2.270 -0.000 3.745) 4.379 8.990 ( -0.879 -0.000 1.381) 1.637 9.121 ( -15.152 -0.000 -2.750) 15.400 9.182 ( -1.715 -0.000 -15.362) 15.457 9.837 ( -4.747 -0.000 7.817) 9.146 9.970 ( 3.116 0.000 -6.888) 7.560 10.176 ( -0.266 -0.000 3.822) 3.832 10.734 ( 3.550 0.000 -1.197) 3.746 10.957 ( -1.933 -0.000 2.521) 3.177 11.032 ( -6.175 -0.000 -9.418) 11.262 11.387 ( 5.921 0.000 11.176) 12.648 11.738 ( -4.624 -0.000 -4.165) 6.223 12.539 ( 4.601 0.000 -0.500) 4.628 12.606 ( 1.637 0.000 2.004) 2.588 13.523 ( -5.951 -0.000 -4.097) 7.225 13.719 ( 9.292 0.000 -1.683) 9.443 14.378 ( -13.616 -0.000 -52.385) 54.126 14.867 ( 9.423 0.000 7.203) 11.861 15.263 ( -7.566 -0.000 -1.731) 7.762 16.120 ( -23.780 -0.000 21.395) 31.988 19.172 ( -0.406 -0.000 0.349) 0.536 19.328 ( 16.286 0.000 -3.584) 16.676 20.109 ( 2.232 0.000 -13.947) 14.125 20.936 ( 9.695 0.000 27.462) 29.123 21.684 ( -1.593 -0.000 1.814) 2.414 21.771 ( -0.350 -0.000 -1.690) 1.726 ======================= Grid point 208 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 7.702 0.000 32.340) 33.244 1.335 ( -5.450 -0.000 30.836) 31.314 2.018 ( 2.747 0.000 -29.117) 29.246 2.041 ( -6.026 -0.000 -31.799) 32.365 2.268 ( 0.320 0.000 44.157) 44.159 2.923 ( 7.047 0.000 -3.877) 8.044 3.189 ( 2.686 0.000 -14.714) 14.957 3.290 ( -6.215 -0.000 -11.547) 13.113 3.907 ( 8.186 0.000 4.714) 9.446 3.965 ( -8.750 -0.000 0.408) 8.759 4.196 ( 4.380 0.000 9.727) 10.667 4.341 ( 1.200 0.000 5.764) 5.887 4.366 ( -2.371 -0.000 -5.846) 6.308 4.543 ( -5.107 -0.000 -11.529) 12.609 4.760 ( 4.335 0.000 6.761) 8.031 4.832 ( -5.187 -0.000 -2.757) 5.874 5.084 ( 2.709 0.000 8.319) 8.749 5.217 ( -3.033 -0.000 -4.015) 5.032 5.499 ( 4.173 0.000 0.492) 4.202 5.587 ( -2.976 -0.000 -6.515) 7.162 5.809 ( 0.489 0.000 2.660) 2.704 5.836 ( 1.297 0.000 -0.593) 1.426 6.027 ( -6.625 -0.000 -1.724) 6.846 6.099 ( 6.127 0.000 -5.956) 8.545 6.457 ( -4.467 -0.000 5.828) 7.343 6.520 ( 6.956 0.000 2.892) 7.533 6.655 ( -1.186 -0.000 -1.232) 1.710 6.735 ( -1.482 -0.000 -7.353) 7.501 6.898 ( 4.813 0.000 5.244) 7.118 6.929 ( -11.407 -0.000 5.453) 12.643 7.211 ( 8.676 0.000 1.044) 8.739 7.330 ( -3.067 -0.000 -4.740) 5.645 7.570 ( -0.753 -0.000 7.761) 7.797 7.766 ( 2.506 0.000 -7.361) 7.776 7.904 ( -6.526 -0.000 2.870) 7.130 7.945 ( 1.857 0.000 -0.714) 1.989 8.033 ( 12.900 0.000 1.615) 13.001 8.066 ( -8.278 -0.000 -2.386) 8.615 8.162 ( -13.870 -0.000 4.860) 14.697 8.290 ( 11.037 0.000 -7.003) 13.071 8.883 ( -5.652 -0.000 0.668) 5.691 8.885 ( 4.105 0.000 0.864) 4.195 8.986 ( -5.397 -0.000 2.508) 5.951 9.064 ( 13.411 0.000 -4.741) 14.224 9.817 ( -6.489 -0.000 5.237) 8.339 9.903 ( 4.481 0.000 -3.427) 5.641 10.391 ( 1.800 0.000 7.313) 7.531 10.555 ( -2.217 -0.000 -8.345) 8.634 10.917 ( -4.137 -0.000 1.441) 4.381 10.950 ( 6.618 0.000 -1.565) 6.801 11.686 ( -5.299 -0.000 0.509) 5.324 11.687 ( 4.431 0.000 0.312) 4.442 12.606 ( 2.711 0.000 -0.015) 2.711 12.615 ( -2.072 -0.000 -0.751) 2.203 13.616 ( -1.423 -0.000 7.403) 7.539 13.764 ( 1.324 0.000 -6.406) 6.541 15.144 ( 0.255 0.000 0.018) 0.256 15.149 ( 1.528 0.000 -0.543) 1.621 15.472 ( -43.192 -0.000 3.352) 43.322 15.538 ( 73.652 0.000 -2.924) 73.710 19.277 ( 0.451 0.000 5.214) 5.233 19.391 ( -0.730 -0.000 -5.455) 5.504 20.376 ( 22.933 0.000 1.961) 23.017 20.411 ( -40.455 -0.000 -1.292) 40.476 21.691 ( -1.510 -0.000 1.847) 2.386 21.730 ( 1.460 0.000 -1.802) 2.319 ======================= Grid point 209 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 9.143 9.986 20.644) 24.688 1.586 ( 13.855 -1.840 18.510) 23.195 1.797 ( 4.099 7.494 -17.681) 19.636 2.069 ( 15.681 -2.625 -21.735) 26.929 2.617 ( 8.922 -14.092 33.123) 37.085 3.028 ( 11.716 -6.022 -25.577) 28.770 3.201 ( -0.215 -1.842 -10.495) 10.658 3.290 ( 9.586 -4.589 4.026) 11.365 3.835 ( -5.315 -0.302 -0.551) 5.352 4.059 ( 7.470 2.958 5.107) 9.520 4.289 ( -3.571 -2.143 -6.877) 8.040 4.338 ( 3.611 -4.987 5.216) 8.069 4.450 ( 0.441 -2.072 -8.719) 8.973 4.479 ( 8.687 -0.965 10.793) 13.888 4.764 ( -1.966 -0.096 -1.808) 2.673 4.866 ( 4.556 -1.276 3.941) 6.158 5.139 ( -3.285 -0.074 -5.059) 6.032 5.176 ( 2.358 -0.672 10.216) 10.506 5.478 ( -4.813 1.262 -8.636) 9.967 5.554 ( 1.462 0.685 2.463) 2.945 5.798 ( -1.882 3.547 -1.064) 4.153 5.842 ( 0.692 -0.523 -0.141) 0.879 5.899 ( -6.987 3.187 1.350) 7.798 6.128 ( 2.213 3.413 -4.643) 6.173 6.395 ( -4.799 -0.001 3.916) 6.194 6.571 ( -1.445 7.931 -3.316) 8.717 6.628 ( 1.338 5.507 0.457) 5.686 6.664 ( 3.281 3.001 0.917) 4.540 6.704 ( -13.200 6.266 4.086) 15.173 6.992 ( -1.428 -7.649 3.671) 8.604 7.219 ( -4.641 2.149 -7.373) 8.974 7.312 ( 1.803 0.009 1.389) 2.276 7.565 ( -5.611 -0.149 9.079) 10.674 7.690 ( -5.379 1.267 -8.194) 9.883 7.817 ( -6.856 -1.444 2.088) 7.311 7.929 ( -1.325 2.672 0.926) 3.123 8.036 ( -1.444 -5.002 2.835) 5.928 8.091 ( 2.421 -5.447 -1.885) 6.252 8.297 ( 16.846 -1.603 -1.143) 16.961 8.400 ( 2.716 -2.508 -1.772) 4.100 8.804 ( -5.525 4.315 0.626) 7.038 8.879 ( -0.969 -3.169 0.511) 3.353 9.033 ( 8.658 -0.013 -1.809) 8.845 9.177 ( 6.178 2.163 -7.054) 9.623 9.759 ( -4.989 -1.724 5.203) 7.412 9.967 ( 4.795 0.056 -1.660) 5.074 10.432 ( -0.497 2.523 6.306) 6.810 10.469 ( -1.977 1.412 -6.179) 6.640 10.884 ( -0.316 -0.545 -0.070) 0.634 11.043 ( 5.404 -0.666 -3.034) 6.233 11.622 ( -3.336 -0.526 1.254) 3.602 11.788 ( 7.582 -0.295 0.576) 7.609 12.558 ( -4.236 0.956 -1.370) 4.554 12.641 ( 2.506 1.120 0.127) 2.748 13.580 ( -5.298 1.583 7.079) 8.983 13.669 ( -8.815 1.989 -7.578) 11.793 14.748 ( -29.997 5.861 -8.271) 31.663 15.141 ( -0.297 1.348 -3.578) 3.835 15.259 ( 4.016 -5.463 -2.854) 7.357 16.525 ( 62.569 12.739 -25.466) 68.743 19.102 ( -18.315 25.509 9.998) 32.956 19.339 ( 4.225 3.559 4.785) 7.308 19.917 ( -33.564 -24.573 1.716) 41.633 20.718 ( 13.880 -2.556 9.635) 17.088 21.687 ( -1.082 -1.666 1.527) 2.506 21.756 ( 1.826 -1.736 -1.431) 2.898 ======================= Grid point 210 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 6.821 11.028 -22.705) 26.147 1.794 ( 14.152 9.179 16.033) 23.272 2.154 ( 20.313 -8.164 22.121) 31.123 2.294 ( 16.224 -6.054 -13.704) 22.083 2.998 ( 2.373 -10.543 -2.494) 11.091 3.158 ( 11.334 -7.985 -10.861) 17.612 3.290 ( 15.419 -7.715 -5.230) 18.017 3.571 ( 14.414 -4.215 10.122) 18.110 3.833 ( 3.554 -1.920 0.985) 4.158 4.106 ( 0.691 2.568 0.421) 2.692 4.203 ( -3.981 -4.896 -9.985) 11.812 4.471 ( 0.306 -7.202 3.495) 8.011 4.517 ( 7.629 0.497 1.054) 7.718 4.657 ( 4.696 0.323 7.664) 8.994 4.796 ( 7.603 -3.145 -4.533) 9.394 4.927 ( -0.396 0.935 1.063) 1.470 5.100 ( 1.785 0.402 -1.181) 2.178 5.260 ( -0.462 0.492 12.281) 12.299 5.366 ( -1.272 -2.087 -9.107) 9.429 5.542 ( -1.503 3.887 2.904) 5.079 5.658 ( -7.079 7.393 -3.990) 10.986 5.774 ( -5.088 4.528 2.897) 7.401 5.868 ( 0.771 -0.708 2.330) 2.554 6.039 ( -3.982 5.454 -3.369) 7.547 6.356 ( -1.815 1.896 1.320) 2.938 6.414 ( -6.991 5.279 -2.583) 9.133 6.512 ( 0.829 15.537 1.138) 15.601 6.551 ( -2.170 1.031 1.952) 3.095 6.732 ( 1.982 1.107 4.010) 4.608 7.023 ( -4.308 -3.378 -1.239) 5.613 7.110 ( -2.527 -1.297 -4.236) 5.100 7.282 ( -3.650 1.292 -1.011) 4.002 7.477 ( -9.983 -1.186 7.696) 12.661 7.574 ( -4.700 -1.622 -3.659) 6.173 7.754 ( -3.126 0.160 2.026) 3.729 7.933 ( 3.416 3.580 -1.809) 5.269 8.057 ( -5.240 -10.305 1.110) 11.614 8.207 ( 6.356 -1.951 -2.668) 7.165 8.403 ( -3.825 -1.595 0.412) 4.165 8.488 ( 1.891 -2.011 -4.287) 5.099 8.694 ( -0.095 6.061 2.746) 6.654 8.957 ( 5.313 -3.336 -0.537) 6.296 9.146 ( 8.135 1.405 -3.461) 8.951 9.231 ( 9.384 2.444 -4.638) 10.749 9.736 ( -5.150 -4.319 5.874) 8.927 10.026 ( 2.994 0.715 -0.329) 3.096 10.348 ( -2.118 4.529 -4.677) 6.846 10.467 ( -0.054 0.809 6.972) 7.019 10.918 ( 4.061 0.033 -0.728) 4.126 11.097 ( 1.984 -1.322 -3.034) 3.859 11.600 ( -2.166 -1.272 2.760) 3.732 11.916 ( 7.408 -0.802 -3.485) 8.226 12.449 ( -5.767 2.935 -1.215) 6.584 12.664 ( 1.582 1.484 0.564) 2.242 13.410 ( -12.691 0.949 -7.775) 14.913 13.510 ( -4.938 1.992 5.165) 7.418 14.349 ( -10.746 2.282 -8.859) 14.113 15.075 ( -0.748 4.789 -7.783) 9.169 15.417 ( 7.933 -9.091 -2.861) 12.400 17.032 ( 41.620 24.992 -27.514) 55.802 18.584 ( -27.604 14.596 25.428) 40.269 19.385 ( 5.272 10.123 4.429) 12.243 19.745 ( -19.564 -25.741 -6.557) 32.990 20.937 ( 5.554 -1.455 9.642) 11.222 21.702 ( -0.312 -2.326 1.104) 2.593 21.809 ( 1.912 -3.592 -0.366) 4.086 ======================= Grid point 211 (90/141) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 14.192 3.241 -9.773) 17.534 2.034 ( 16.402 5.331 12.945) 21.564 2.541 ( 13.180 -10.284 -11.977) 20.565 2.642 ( 15.793 -9.403 20.157) 27.279 2.903 ( -8.099 -2.220 -15.508) 17.636 3.449 ( 13.160 -7.811 -3.190) 15.633 3.614 ( 10.668 -7.104 -1.920) 12.960 3.876 ( 13.487 -1.758 7.560) 15.561 3.943 ( 4.119 -0.123 -2.867) 5.020 4.065 ( 1.717 -1.203 0.732) 2.221 4.239 ( 4.009 -8.376 -4.997) 10.545 4.510 ( -3.295 -4.876 1.090) 5.985 4.591 ( 1.784 1.918 -0.435) 2.655 4.751 ( 2.837 -0.942 1.959) 3.574 4.850 ( 0.746 5.775 -0.823) 5.881 4.944 ( 7.499 -2.693 -11.741) 14.189 5.103 ( -1.322 3.860 5.718) 7.024 5.290 ( 1.178 -1.746 4.736) 5.183 5.396 ( -2.894 4.893 -0.591) 5.716 5.454 ( 0.457 0.318 -0.385) 0.677 5.533 ( 2.465 2.374 4.044) 5.298 5.656 ( -5.998 6.315 5.902) 10.521 5.847 ( -1.563 7.250 2.373) 7.787 5.995 ( 2.466 -4.668 -1.225) 5.419 6.265 ( -4.338 -0.822 -4.764) 6.495 6.318 ( -2.755 1.915 -3.496) 4.845 6.374 ( 1.808 20.059 9.101) 22.101 6.558 ( -0.435 -3.129 -2.676) 4.140 6.722 ( -5.016 0.405 4.102) 6.492 6.930 ( -3.621 0.879 -2.685) 4.593 7.120 ( 0.090 -2.317 -2.479) 3.395 7.196 ( -6.246 -2.194 -1.814) 6.864 7.402 ( -5.248 -1.691 7.264) 9.119 7.523 ( -4.981 -4.837 0.118) 6.944 7.720 ( 1.022 5.342 1.488) 5.639 7.910 ( 4.365 6.952 -8.188) 11.594 8.096 ( -4.476 -10.120 2.640) 11.376 8.283 ( -0.135 -2.894 -1.571) 3.296 8.334 ( -2.709 2.593 0.332) 3.765 8.392 ( -8.320 0.814 -1.680) 8.527 8.645 ( -2.023 3.772 0.795) 4.353 9.081 ( 2.857 -3.257 -2.018) 4.779 9.251 ( 11.411 2.022 -3.354) 12.064 9.388 ( 12.695 1.887 -1.114) 12.883 9.741 ( -3.906 -7.137 4.987) 9.543 10.028 ( -1.036 1.967 0.687) 2.327 10.271 ( -0.182 3.619 -2.758) 4.553 10.506 ( 0.867 -0.018 7.851) 7.899 10.988 ( 5.630 1.607 -0.224) 5.859 11.107 ( -0.237 -1.353 -2.961) 3.264 11.584 ( -3.855 -0.868 3.326) 5.165 11.957 ( 0.086 -3.411 -13.152) 13.587 12.343 ( -2.594 4.305 1.854) 5.357 12.664 ( 0.357 2.114 0.889) 2.321 13.291 ( -0.356 -2.215 1.967) 2.984 13.444 ( -3.217 2.022 2.879) 4.768 14.208 ( -3.229 -0.424 -4.978) 5.949 14.951 ( -1.958 6.197 -12.285) 13.898 15.647 ( 9.620 -11.241 -1.920) 14.920 17.117 ( 17.561 31.120 -16.069) 39.180 18.260 ( -17.147 -0.310 19.310) 25.826 19.318 ( -0.346 12.051 0.356) 12.061 19.727 ( -8.745 -19.700 -3.925) 21.908 21.035 ( 1.931 -0.016 5.911) 6.218 21.731 ( 0.496 -2.249 0.563) 2.371 21.874 ( 1.301 -3.798 0.615) 4.061 ======================= Grid point 212 (91/141) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 14.219 -2.235 3.327) 14.773 2.303 ( 11.698 1.926 10.149) 15.607 2.685 ( -7.450 -0.218 -5.841) 9.469 2.800 ( 10.444 -12.053 -16.641) 23.049 3.042 ( 11.945 -7.777 13.706) 19.774 3.566 ( -4.247 0.415 2.816) 5.113 3.730 ( 0.747 -4.149 -3.592) 5.539 3.869 ( -2.047 2.796 -11.130) 11.657 4.076 ( 6.780 0.254 4.602) 8.198 4.213 ( 3.066 -5.428 1.661) 6.451 4.330 ( 2.206 4.503 -3.796) 6.289 4.502 ( -0.675 -5.761 1.288) 5.941 4.588 ( 0.808 -0.060 -2.028) 2.184 4.758 ( 2.933 -4.382 -3.930) 6.576 4.892 ( 5.168 3.130 1.470) 6.218 4.999 ( 3.921 4.501 -7.558) 9.631 5.093 ( 1.666 0.491 2.338) 2.912 5.248 ( -0.155 4.587 2.711) 5.331 5.402 ( 2.447 -4.670 2.838) 5.988 5.484 ( -5.623 2.399 5.990) 8.559 5.545 ( 1.610 1.714 0.164) 2.357 5.648 ( 6.880 -0.308 4.507) 8.231 5.755 ( -1.257 8.375 0.483) 8.483 6.118 ( 4.200 -2.803 4.927) 7.055 6.175 ( -4.722 6.599 1.880) 8.330 6.225 ( -1.846 0.883 -7.434) 7.711 6.315 ( 3.593 7.640 6.422) 10.608 6.516 ( -5.289 -6.291 -9.824) 12.808 6.678 ( -2.654 -2.721 3.825) 5.393 6.877 ( -3.559 0.398 0.673) 3.643 7.065 ( -6.201 -2.479 -3.772) 7.669 7.153 ( 0.261 0.256 -2.351) 2.379 7.400 ( -2.615 -1.318 9.313) 9.762 7.505 ( -5.188 -6.500 1.740) 8.497 7.703 ( 6.731 10.093 -2.121) 12.316 7.903 ( 7.237 5.103 -6.587) 11.037 8.099 ( -6.144 -4.898 1.432) 7.987 8.182 ( -6.694 2.416 0.798) 7.162 8.280 ( -5.068 -2.133 -0.313) 5.508 8.349 ( 2.400 -0.322 -2.399) 3.409 8.587 ( -2.249 2.137 1.974) 3.677 9.077 ( -2.539 -0.854 -1.395) 3.020 9.394 ( 7.591 1.979 -3.618) 8.639 9.535 ( 6.693 -1.260 1.136) 6.905 9.816 ( 2.511 -6.240 1.005) 6.801 9.981 ( -2.638 2.040 1.731) 3.757 10.237 ( 0.006 1.974 0.175) 1.982 10.558 ( 0.557 -0.620 6.928) 6.978 11.041 ( 2.892 2.953 -0.038) 4.133 11.112 ( 2.109 -0.757 -1.846) 2.903 11.509 ( -6.311 0.681 -0.210) 6.351 11.920 ( -1.617 -5.686 -10.883) 12.385 12.281 ( -1.472 3.558 0.539) 3.888 12.650 ( -0.133 1.913 1.306) 2.320 13.386 ( 0.454 0.931 3.466) 3.617 13.423 ( 4.550 -1.907 6.590) 8.233 14.190 ( 0.374 -3.252 -0.649) 3.337 14.775 ( -3.843 6.268 -16.584) 18.141 15.907 ( 8.728 -11.263 0.335) 14.253 16.894 ( -3.165 24.346 -1.498) 24.597 18.198 ( -1.506 -2.443 4.528) 5.361 19.197 ( -2.260 6.327 -0.688) 6.754 19.767 ( -4.420 -10.625 -0.642) 11.526 21.074 ( 1.272 0.739 2.724) 3.096 21.762 ( 0.938 -1.292 -0.053) 1.598 21.922 ( 0.456 -2.309 0.925) 2.528 ======================= Grid point 213 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 5.325 -2.803 3.769) 7.101 2.317 ( -6.098 3.092 4.370) 8.114 2.635 ( -1.068 4.146 3.512) 5.538 2.918 ( -1.100 -5.840 -15.736) 16.821 3.317 ( 6.403 -5.791 12.360) 15.076 3.492 ( -0.635 -2.509 -0.233) 2.598 3.708 ( -4.585 2.072 -5.970) 7.808 3.735 ( 0.041 0.771 -8.300) 8.336 4.153 ( 2.691 0.558 1.762) 3.265 4.201 ( -2.561 5.393 1.620) 6.186 4.324 ( -1.735 -2.899 -1.510) 3.701 4.553 ( -1.184 -1.003 3.840) 4.142 4.585 ( -1.070 -0.484 -0.144) 1.183 4.841 ( -1.601 -3.594 -2.788) 4.822 4.891 ( -0.129 3.956 -0.425) 3.981 4.970 ( 3.185 6.823 -2.629) 7.976 5.094 ( 2.408 -1.097 -3.698) 4.547 5.317 ( -9.924 4.816 9.159) 14.338 5.372 ( 6.564 -5.512 5.991) 10.458 5.527 ( 1.664 -5.780 2.044) 6.353 5.584 ( 4.288 1.092 -8.566) 9.641 5.636 ( -0.328 3.667 -0.830) 3.775 5.781 ( 1.739 -1.515 3.038) 3.815 6.044 ( -2.515 7.597 5.711) 9.832 6.144 ( 0.414 5.738 0.383) 5.766 6.175 ( 1.095 2.583 5.813) 6.455 6.410 ( 3.236 -1.186 -1.906) 3.938 6.489 ( -0.089 -11.271 -12.362) 16.729 6.698 ( -0.729 -2.536 1.225) 2.909 6.813 ( -2.128 -0.790 0.765) 2.395 7.013 ( -1.517 -2.278 -2.020) 3.401 7.152 ( 2.276 0.844 -3.655) 4.387 7.414 ( -2.988 -1.165 8.516) 9.100 7.491 ( -7.573 -7.850 5.625) 12.272 7.707 ( 8.180 10.414 -5.694) 14.415 7.949 ( 3.718 3.454 -3.354) 6.083 8.060 ( -2.425 -0.196 2.101) 3.215 8.108 ( 2.970 -1.407 -3.533) 4.825 8.254 ( -1.708 -1.570 0.092) 2.321 8.369 ( 2.059 0.584 -2.858) 3.570 8.552 ( -1.801 1.520 4.474) 5.056 9.039 ( -2.468 -0.089 1.273) 2.778 9.415 ( -1.049 -1.257 -2.826) 3.266 9.624 ( 1.566 -0.981 -0.862) 2.039 9.880 ( -1.638 0.403 0.951) 1.936 9.949 ( 0.935 -1.133 0.433) 1.532 10.235 ( 0.904 0.835 1.099) 1.650 10.598 ( -0.278 -1.098 5.426) 5.543 11.035 ( 0.335 1.421 -0.677) 1.610 11.152 ( 1.393 0.305 -0.055) 1.427 11.410 ( -1.819 2.696 -1.218) 3.473 11.906 ( -1.584 -2.780 -5.481) 6.346 12.244 ( -0.238 0.033 -0.634) 0.679 12.639 ( -0.278 0.922 1.764) 2.009 13.377 ( 0.706 0.637 0.721) 1.193 13.563 ( 3.534 -1.614 5.260) 6.539 14.276 ( 3.528 -5.078 4.396) 7.586 14.560 ( -5.124 4.468 -18.050) 19.287 16.081 ( 1.092 -1.277 0.618) 1.791 16.638 ( -8.627 5.231 8.932) 13.474 18.263 ( 8.052 -0.037 -5.332) 9.657 19.139 ( -1.141 -0.847 0.174) 1.431 19.774 ( -3.892 -3.554 1.413) 5.456 21.095 ( 1.670 1.244 0.756) 2.215 21.780 ( 0.895 0.382 -0.709) 1.204 21.941 ( -0.160 -0.114 0.877) 0.899 ======================= Grid point 214 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -17.449 2.822 -5.622) 18.549 2.335 ( -1.759 6.829 18.024) 19.355 2.435 ( -8.805 7.475 0.341) 11.555 2.795 ( -7.411 -2.510 -12.291) 14.570 3.361 ( -4.567 2.658 -13.657) 14.643 3.603 ( 1.183 -5.539 8.925) 10.571 3.660 ( 3.347 -3.120 -0.756) 4.637 3.717 ( -5.844 1.142 -2.072) 6.304 4.087 ( -5.556 6.705 7.334) 11.385 4.197 ( 2.089 0.496 3.028) 3.712 4.239 ( -7.057 -0.366 -2.921) 7.647 4.506 ( -3.815 5.600 1.802) 7.012 4.588 ( 0.286 -1.045 -0.471) 1.181 4.720 ( -6.607 3.079 0.513) 7.307 4.823 ( -4.815 2.859 4.203) 7.002 4.963 ( 0.795 0.442 -4.756) 4.842 5.157 ( 1.186 -2.231 -1.191) 2.793 5.217 ( -1.860 -2.458 4.467) 5.428 5.443 ( -1.722 9.177 -2.755) 9.735 5.524 ( 2.425 -4.608 1.416) 5.396 5.648 ( -1.078 -2.233 -4.195) 4.873 5.698 ( 0.296 -10.800 4.592) 11.740 5.773 ( 0.756 -2.924 -5.552) 6.320 6.033 ( 1.928 5.641 7.450) 9.542 6.156 ( 4.350 -1.702 -1.354) 4.863 6.229 ( 4.182 4.429 6.318) 8.776 6.364 ( 2.139 3.526 -5.206) 6.642 6.564 ( -2.966 -14.099 -11.276) 18.296 6.709 ( 2.092 1.118 0.878) 2.529 6.884 ( 4.408 -3.752 0.289) 5.796 7.028 ( 3.012 0.044 -1.318) 3.288 7.180 ( 3.120 -1.151 -3.899) 5.125 7.395 ( -2.832 1.638 3.878) 5.074 7.494 ( -8.337 -11.947 11.696) 18.682 7.702 ( 6.519 8.151 -5.494) 11.795 7.887 ( -2.220 1.757 -5.234) 5.951 8.112 ( 7.454 4.451 1.400) 8.794 8.207 ( 2.413 -2.288 1.026) 3.480 8.253 ( 3.180 -1.546 -2.782) 4.499 8.384 ( 3.840 2.228 -4.541) 6.351 8.551 ( -0.003 -0.412 5.821) 5.836 9.016 ( -1.211 1.115 3.528) 3.893 9.363 ( -8.143 -3.591 -1.067) 8.964 9.575 ( -7.189 0.093 -2.283) 7.543 9.829 ( -0.699 2.463 0.435) 2.597 9.995 ( 1.917 -1.208 -0.106) 2.268 10.245 ( 0.906 1.343 0.268) 1.642 10.624 ( -0.071 -1.125 2.069) 2.356 11.031 ( 0.205 0.102 0.579) 0.622 11.114 ( -5.452 -1.300 -2.372) 6.086 11.426 ( 7.113 5.142 5.160) 10.181 11.852 ( -2.901 1.745 -3.587) 4.933 12.278 ( 1.757 -4.037 0.153) 4.406 12.639 ( -0.389 -0.005 2.112) 2.148 13.415 ( 3.701 -1.016 -0.278) 3.848 13.587 ( -2.674 -0.782 -3.952) 4.835 14.283 ( -4.510 3.367 -11.449) 12.757 14.516 ( 4.692 -7.053 5.720) 10.222 15.925 ( -9.278 12.873 -0.966) 15.897 16.643 ( -9.825 -14.829 18.786) 25.872 18.405 ( 15.394 0.269 -11.930) 19.477 19.185 ( 1.393 -8.071 0.299) 8.196 19.725 ( -4.091 2.590 3.066) 5.731 21.113 ( 2.418 1.631 -0.580) 2.974 21.776 ( 0.643 1.943 -1.290) 2.419 21.928 ( -0.536 2.243 0.556) 2.372 ======================= Grid point 215 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -23.978 5.289 -1.582) 24.606 2.045 ( -16.343 14.572 16.706) 27.541 2.426 ( -3.430 -0.693 -2.950) 4.577 2.713 ( 0.071 -2.971 -2.765) 4.059 3.094 ( -11.178 5.867 -23.032) 26.265 3.308 ( -32.168 8.904 7.317) 34.171 3.669 ( -4.871 0.720 -2.170) 5.381 3.777 ( 4.419 -3.690 9.030) 10.709 3.983 ( -2.914 6.459 5.586) 9.023 4.065 ( -8.468 2.851 -4.725) 10.107 4.233 ( -8.220 3.787 -2.215) 9.318 4.409 ( 1.304 0.199 8.987) 9.083 4.605 ( -0.322 -3.065 -0.330) 3.099 4.713 ( 0.221 3.005 5.240) 6.044 4.737 ( 0.858 2.652 2.918) 4.035 4.915 ( -3.980 -2.383 -5.864) 7.477 5.159 ( -0.489 3.496 -0.856) 3.633 5.305 ( 4.673 -6.292 6.349) 10.086 5.340 ( -1.218 6.173 0.644) 6.325 5.579 ( 1.145 -4.697 -8.350) 9.649 5.629 ( -2.198 -5.668 -4.271) 7.430 5.794 ( -0.619 -3.344 -1.470) 3.705 5.831 ( 2.279 -8.138 1.625) 8.606 6.022 ( -0.386 0.926 -4.871) 4.973 6.210 ( 4.871 3.030 0.479) 5.756 6.277 ( 5.311 -2.250 -2.129) 6.148 6.460 ( 8.260 3.282 4.492) 9.959 6.598 ( -3.251 -13.461 -6.426) 15.267 6.754 ( 3.940 -0.507 1.390) 4.208 6.927 ( -2.612 -4.153 -4.546) 6.688 7.102 ( 5.208 -0.728 -0.483) 5.280 7.203 ( 0.746 0.313 -1.949) 2.110 7.353 ( -0.829 3.150 4.593) 5.631 7.595 ( -0.023 -11.360 8.173) 13.995 7.720 ( 7.062 5.291 -2.462) 9.161 7.838 ( 1.341 1.142 -6.001) 6.254 8.150 ( 4.045 6.756 -2.273) 8.195 8.203 ( -1.376 3.285 4.642) 5.851 8.336 ( 1.969 -1.797 1.458) 3.039 8.394 ( 2.964 4.265 -1.177) 5.325 8.647 ( 6.484 -5.687 -0.337) 8.632 9.008 ( -1.289 1.296 4.109) 4.497 9.211 ( -13.068 -2.438 -0.350) 13.298 9.389 ( -14.227 0.409 -0.780) 14.254 9.838 ( 4.734 2.327 -2.857) 5.999 10.025 ( 0.924 0.341 0.529) 1.118 10.238 ( -0.279 1.001 0.783) 1.301 10.635 ( 0.455 -0.814 -3.092) 3.229 11.008 ( -7.145 -2.639 -3.091) 8.220 11.044 ( -0.142 1.120 2.680) 2.908 11.552 ( 8.766 3.756 10.251) 14.001 11.764 ( -3.194 2.957 -0.979) 4.461 12.358 ( 1.605 -5.684 0.378) 5.919 12.647 ( 0.020 -0.222 2.185) 2.196 13.460 ( -7.098 0.302 -11.395) 13.428 13.508 ( 5.967 -2.412 -3.372) 7.266 14.152 ( -2.370 2.014 -3.139) 4.419 14.720 ( 5.530 -7.947 9.444) 13.525 15.632 ( -9.940 12.717 -0.212) 16.143 16.668 ( -20.571 -15.979 23.559) 35.121 18.633 ( 18.041 -4.061 -13.137) 22.684 19.344 ( 4.847 -15.205 -2.651) 16.178 19.630 ( -1.906 10.066 4.961) 11.383 21.133 ( 2.867 1.667 -2.463) 4.131 21.755 ( 0.567 2.568 -1.641) 3.100 21.885 ( -0.893 4.424 -0.189) 4.517 ======================= Grid point 216 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -19.132 -2.054 13.962) 23.774 1.752 ( -15.319 13.646 21.773) 29.916 2.317 ( -8.120 -4.837 -9.929) 13.709 2.659 ( -25.207 0.421 -4.676) 25.640 2.708 ( -18.288 9.116 -12.605) 24.009 2.808 ( -3.873 7.347 13.176) 15.575 3.518 ( -6.603 4.119 -10.063) 12.722 3.798 ( -10.051 1.485 -7.065) 12.376 3.854 ( -7.065 0.909 -3.233) 7.822 3.982 ( 4.374 4.380 10.469) 12.162 4.062 ( -3.327 3.612 2.678) 5.593 4.493 ( 2.691 1.785 5.771) 6.613 4.562 ( -7.267 0.433 5.187) 8.939 4.653 ( -4.500 -0.792 -0.184) 4.573 4.789 ( -0.308 0.344 -6.618) 6.634 4.885 ( 1.379 0.479 4.418) 4.653 5.121 ( -0.727 0.125 -2.613) 2.715 5.261 ( -1.018 6.117 1.070) 6.293 5.478 ( 2.815 -3.499 -2.266) 5.030 5.591 ( 4.186 -3.613 -4.511) 7.136 5.640 ( 0.371 -4.217 -4.821) 6.416 5.799 ( -0.965 -0.464 1.698) 2.008 5.930 ( 1.214 -4.340 -0.993) 4.615 6.033 ( 2.663 -8.524 -6.345) 10.955 6.314 ( 6.669 0.681 4.529) 8.090 6.375 ( 4.460 -2.583 -2.991) 5.959 6.539 ( 6.005 1.678 1.415) 6.393 6.633 ( -4.207 -11.003 -4.607) 12.649 6.879 ( 2.814 -4.173 -4.250) 6.587 6.886 ( -0.069 -1.684 5.208) 5.474 7.116 ( -0.803 2.064 -3.102) 3.811 7.247 ( 2.159 -4.207 2.661) 5.426 7.395 ( 6.695 2.171 5.360) 8.846 7.707 ( 4.125 -1.164 -4.304) 6.074 7.823 ( 4.753 -0.409 6.387) 7.972 7.845 ( 4.724 -0.991 -6.538) 8.127 8.106 ( 2.237 9.849 -1.785) 10.256 8.149 ( -1.650 3.750 0.922) 4.200 8.343 ( -3.329 2.775 9.046) 10.031 8.402 ( 2.193 2.961 0.163) 3.688 8.798 ( 4.041 -5.781 -6.097) 9.323 8.938 ( -8.220 -2.446 1.279) 8.671 9.073 ( -6.200 0.580 2.545) 6.728 9.151 ( -12.635 1.078 2.241) 12.877 9.869 ( 3.856 2.840 -5.174) 7.050 10.001 ( -2.671 2.956 1.067) 4.125 10.252 ( 0.925 -1.585 3.492) 3.945 10.628 ( 0.592 -1.143 -6.803) 6.924 10.910 ( -5.896 -1.786 -0.711) 6.201 11.033 ( -1.992 1.256 2.950) 3.775 11.659 ( 1.043 0.992 -1.973) 2.442 11.737 ( 2.180 2.208 12.315) 12.700 12.441 ( 1.302 -7.087 0.434) 7.219 12.660 ( 0.289 0.485 1.013) 1.160 13.331 ( 0.983 1.025 -3.220) 3.520 13.622 ( 7.051 -2.632 -4.978) 9.024 14.157 ( 3.881 0.198 8.067) 8.954 14.917 ( 4.738 -7.004 7.285) 11.161 15.382 ( -7.248 10.119 0.553) 12.459 16.501 ( -31.844 -11.467 23.327) 41.105 18.911 ( 12.847 -11.499 -6.926) 18.581 19.475 ( -10.266 -9.772 -1.443) 14.246 19.659 ( 22.644 7.329 -0.809) 23.815 21.129 ( 0.146 1.554 -7.167) 7.335 21.733 ( 0.752 2.189 -1.720) 2.883 21.812 ( -1.620 5.645 -0.883) 5.939 ======================= Grid point 217 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.325 -10.003 30.130) 31.921 1.477 ( -19.968 7.426 25.357) 33.118 2.173 ( -10.011 4.190 14.547) 18.149 2.266 ( -13.051 -1.652 -30.086) 32.836 2.305 ( -13.737 3.301 -0.245) 14.131 2.846 ( 3.606 3.661 8.289) 9.753 3.312 ( -2.936 5.988 -18.201) 19.384 3.517 ( -12.860 1.965 -12.721) 18.195 3.807 ( 0.894 -0.927 1.849) 2.253 4.028 ( -1.308 1.111 6.926) 7.135 4.093 ( 5.039 2.936 9.671) 11.294 4.428 ( -7.977 0.113 -2.254) 8.290 4.452 ( -5.911 2.767 -5.488) 8.527 4.634 ( -2.047 -3.404 4.384) 5.916 4.708 ( -0.850 3.989 -2.408) 4.737 4.922 ( -0.282 2.483 1.484) 2.907 5.047 ( -3.270 0.002 -1.213) 3.488 5.252 ( 0.833 1.131 1.358) 1.954 5.456 ( 1.843 0.617 -6.465) 6.751 5.632 ( -0.747 -1.990 -4.886) 5.328 5.755 ( 4.502 -3.840 2.305) 6.350 5.805 ( 1.058 1.170 2.992) 3.383 6.002 ( 5.379 -4.261 -5.097) 8.548 6.104 ( -2.628 -5.018 -3.965) 6.914 6.413 ( 5.869 1.591 2.821) 6.704 6.437 ( 1.496 -1.822 5.557) 6.036 6.633 ( -2.365 -8.641 -1.556) 9.093 6.709 ( 5.789 -5.343 -0.170) 7.879 6.840 ( 1.488 2.055 -7.053) 7.495 7.000 ( -2.129 -2.753 10.969) 11.508 7.089 ( 4.797 1.409 -4.476) 6.711 7.334 ( 1.284 -3.180 2.406) 4.189 7.518 ( 5.763 1.620 4.015) 7.208 7.742 ( 2.710 -0.652 -5.038) 5.757 7.865 ( 3.310 -0.671 1.100) 3.552 7.932 ( 3.806 0.632 -2.834) 4.787 8.021 ( -5.854 2.112 2.591) 6.742 8.152 ( 11.669 6.749 -6.327) 14.891 8.248 ( -10.338 2.037 3.588) 11.131 8.354 ( -6.225 3.787 1.848) 7.518 8.835 ( 3.019 -3.746 -2.385) 5.370 8.898 ( 1.564 1.555 -0.748) 2.329 8.978 ( -6.728 -1.955 3.464) 7.816 9.045 ( -4.343 0.963 4.923) 6.635 9.864 ( 1.467 0.730 -3.344) 3.724 9.915 ( -4.844 2.595 2.064) 5.870 10.318 ( 1.991 -1.622 6.032) 6.556 10.609 ( -0.417 -1.426 -8.232) 8.365 10.879 ( 1.185 -0.525 0.617) 1.436 10.984 ( -4.278 0.951 2.579) 5.085 11.647 ( 1.229 0.583 -1.245) 1.844 11.762 ( -3.921 0.207 3.693) 5.390 12.541 ( 2.862 -4.525 0.298) 5.362 12.645 ( -1.049 0.964 -0.388) 1.476 13.495 ( 11.484 -1.747 8.557) 14.428 13.722 ( 5.808 -1.774 -6.135) 8.632 14.487 ( 35.846 -3.862 17.629) 40.132 15.068 ( 3.645 -4.610 3.388) 6.784 15.220 ( -2.886 6.780 0.952) 7.430 16.096 ( -41.309 -4.766 17.059) 44.946 19.171 ( 5.554 -12.116 0.719) 13.348 19.394 ( -5.157 -3.776 -0.345) 6.401 20.001 ( 25.714 1.517 -5.286) 26.296 20.955 ( -15.566 4.632 -13.182) 20.917 21.720 ( 0.206 1.872 -0.578) 1.970 21.732 ( -1.212 3.017 -0.419) 3.279 ======================= Grid point 219 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 7.778 0.000 -25.027) 26.208 1.907 ( 14.400 0.000 12.703) 19.202 2.081 ( 18.885 0.000 21.035) 28.268 2.238 ( 15.040 0.000 -10.517) 18.352 2.841 ( 10.446 0.000 9.740) 14.282 3.073 ( 16.533 0.000 -27.245) 31.869 3.192 ( 6.472 0.000 1.089) 6.563 3.548 ( 18.031 0.000 9.845) 20.544 3.811 ( 2.584 0.000 1.992) 3.263 4.116 ( -2.139 -0.000 -5.367) 5.778 4.173 ( -4.302 -0.000 -9.063) 10.032 4.371 ( 1.356 0.000 6.642) 6.779 4.534 ( 9.900 0.000 4.774) 10.991 4.656 ( 6.119 0.000 6.399) 8.854 4.766 ( 3.831 0.000 -3.352) 5.090 4.940 ( 3.638 0.000 2.006) 4.155 5.102 ( 2.850 0.000 -2.390) 3.719 5.264 ( 1.317 0.000 13.982) 14.044 5.352 ( -4.145 -0.000 -13.039) 13.682 5.582 ( -0.605 -0.000 4.106) 4.150 5.746 ( -7.522 -0.000 -4.982) 9.022 5.804 ( -1.927 -0.000 -0.780) 2.079 5.861 ( -1.769 -0.000 4.837) 5.150 6.098 ( -6.414 -0.000 0.057) 6.414 6.363 ( -0.651 -0.000 -0.050) 0.653 6.499 ( -13.683 -0.000 2.575) 13.924 6.538 ( -3.063 -0.000 -7.787) 8.368 6.721 ( -2.260 -0.000 10.288) 10.533 6.738 ( 4.022 0.000 -2.665) 4.825 6.949 ( 3.281 0.000 0.328) 3.298 7.107 ( -7.509 -0.000 -3.937) 8.479 7.300 ( -3.937 -0.000 -0.167) 3.940 7.468 ( -12.577 -0.000 11.587) 17.101 7.556 ( -5.775 -0.000 -7.905) 9.790 7.754 ( -1.632 -0.000 3.253) 3.639 7.907 ( -4.354 -0.000 4.612) 6.343 7.983 ( 3.877 0.000 -6.418) 7.498 8.200 ( 7.958 0.000 -2.399) 8.312 8.389 ( -1.826 -0.000 0.239) 1.841 8.453 ( 3.021 0.000 -5.085) 5.914 8.790 ( 3.312 0.000 1.939) 3.838 8.889 ( 1.103 0.000 0.168) 1.116 9.163 ( 8.476 0.000 -3.623) 9.218 9.257 ( 9.085 0.000 -5.921) 10.845 9.692 ( -5.721 -0.000 5.894) 8.214 10.032 ( 3.513 0.000 -0.737) 3.589 10.400 ( -2.274 -0.000 -6.900) 7.265 10.472 ( -1.140 -0.000 8.495) 8.571 10.919 ( 4.660 0.000 0.207) 4.664 11.083 ( 2.014 0.000 -2.980) 3.597 11.588 ( -1.916 -0.000 2.888) 3.466 11.908 ( 6.841 0.000 -3.946) 7.898 12.481 ( -5.559 -0.000 1.028) 5.654 12.676 ( 1.784 0.000 -1.116) 2.105 13.422 ( -14.780 -0.000 -8.970) 17.289 13.531 ( -5.392 -0.000 5.828) 7.939 14.372 ( -13.089 -0.000 -10.330) 16.674 15.143 ( 0.728 0.000 -5.238) 5.288 15.301 ( 6.828 0.000 -4.613) 8.240 17.299 ( 46.099 0.000 -38.169) 59.850 18.912 ( -42.202 -0.000 21.216) 47.234 19.275 ( -4.030 -0.000 -3.476) 5.322 19.527 ( -2.090 -0.000 12.704) 12.875 20.918 ( 6.310 0.000 11.104) 12.772 21.677 ( -0.227 -0.000 1.795) 1.810 21.767 ( 1.742 0.000 -1.663) 2.409 ======================= Grid point 220 (98/141) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 18.377 11.196 -17.091) 27.480 2.171 ( 17.563 2.417 0.071) 17.729 2.406 ( 13.934 0.864 -2.068) 14.113 2.506 ( 15.916 -5.299 17.811) 24.467 2.897 ( -0.795 -0.121 -11.602) 11.630 3.286 ( 15.341 -6.457 -4.991) 17.377 3.437 ( 9.425 -7.028 7.491) 13.941 3.865 ( 12.695 -0.878 3.938) 13.320 3.939 ( 9.532 0.508 4.345) 10.488 4.054 ( -2.470 -0.751 -8.176) 8.574 4.087 ( 2.783 -4.467 -5.683) 7.746 4.434 ( 0.771 -2.370 6.295) 6.770 4.639 ( -0.127 3.004 0.786) 3.108 4.705 ( -1.135 -3.489 1.408) 3.930 4.857 ( 8.773 -0.588 -5.412) 10.324 5.015 ( 5.920 4.336 -2.300) 7.690 5.170 ( 3.126 2.741 -1.456) 4.405 5.239 ( -0.393 -3.278 -2.034) 3.877 5.384 ( 3.715 -0.575 8.802) 9.571 5.560 ( -4.430 4.656 -1.547) 6.611 5.591 ( -2.898 1.642 2.873) 4.398 5.759 ( -3.456 3.576 4.085) 6.436 5.880 ( 0.847 -2.112 3.126) 3.866 5.966 ( -8.081 0.060 2.433) 8.439 6.287 ( -9.034 3.528 -2.063) 9.915 6.350 ( -0.300 1.559 -5.265) 5.499 6.469 ( -4.329 -5.519 -7.466) 10.244 6.685 ( -1.268 6.191 8.534) 10.619 6.759 ( -0.977 6.228 3.104) 7.026 6.937 ( -6.891 -0.474 -2.270) 7.271 7.077 ( 5.696 -2.144 0.825) 6.142 7.177 ( -9.745 0.944 -1.491) 9.904 7.345 ( -10.648 -3.606 11.662) 16.198 7.468 ( -1.085 -0.651 -6.940) 7.055 7.770 ( 1.420 0.627 3.348) 3.690 7.916 ( -2.219 -6.174 5.076) 8.295 8.002 ( 4.055 1.449 -9.386) 10.326 8.257 ( -0.041 -0.069 -1.461) 1.463 8.353 ( -2.142 1.974 -0.513) 2.957 8.404 ( -4.101 -1.532 -2.209) 4.904 8.775 ( -1.132 9.243 -0.966) 9.362 8.962 ( 2.253 -8.580 -2.350) 9.177 9.280 ( 10.096 0.790 -3.652) 10.765 9.424 ( 12.924 1.239 -2.782) 13.278 9.640 ( -5.621 -2.716 7.239) 9.558 10.054 ( -0.473 0.667 0.096) 0.824 10.330 ( -1.258 1.907 -5.108) 5.596 10.503 ( 0.092 -0.139 8.250) 8.251 11.014 ( 6.910 0.797 0.998) 7.027 11.083 ( -0.629 -0.810 -2.757) 2.941 11.584 ( -1.064 0.429 4.735) 4.872 11.900 ( -3.097 -1.894 -15.726) 16.140 12.413 ( -3.038 2.272 3.657) 5.270 12.689 ( 0.582 0.478 -0.882) 1.159 13.263 ( -1.216 -0.712 1.599) 2.131 13.474 ( -3.903 0.816 3.245) 5.141 14.197 ( -5.641 -0.441 -6.477) 8.601 15.078 ( -0.906 5.603 -9.801) 11.326 15.446 ( 8.542 -7.773 -3.578) 12.091 17.634 ( 26.849 16.293 -37.468) 48.890 18.315 ( -34.129 5.847 27.712) 44.350 19.267 ( -10.398 -15.230 -2.304) 18.584 19.587 ( 5.643 5.241 10.203) 12.784 21.028 ( 2.201 -0.448 6.877) 7.235 21.695 ( 0.745 -1.056 1.589) 2.048 21.800 ( 1.485 -2.717 -1.031) 3.263 ======================= Grid point 221 (99/141) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 23.297 13.647 -3.368) 27.209 2.429 ( 18.776 5.591 0.421) 19.595 2.610 ( 13.386 -3.443 -9.291) 16.654 2.752 ( -1.774 5.670 -4.107) 7.222 2.914 ( 13.066 -5.181 13.325) 19.368 3.536 ( 0.476 -3.425 4.422) 5.614 3.600 ( 5.315 -8.638 2.492) 10.444 3.923 ( -3.319 0.244 -3.108) 4.554 3.942 ( -3.620 -8.663 -3.146) 9.902 4.172 ( 10.430 -0.327 3.674) 11.064 4.300 ( 11.297 -5.806 -4.129) 13.356 4.479 ( -1.170 3.055 1.453) 3.580 4.577 ( -2.190 -0.569 -0.425) 2.302 4.663 ( -6.995 -3.556 -1.074) 7.920 4.962 ( 6.531 -2.257 -12.825) 14.568 4.993 ( 4.122 5.670 -3.685) 7.919 5.175 ( 2.069 2.965 0.915) 3.729 5.286 ( -1.360 -2.252 0.847) 2.764 5.388 ( -2.185 3.870 0.353) 4.458 5.519 ( 4.067 3.121 3.231) 6.060 5.636 ( -0.140 2.797 7.940) 8.419 5.655 ( -1.816 2.113 8.135) 8.599 5.881 ( -1.973 2.546 1.630) 3.610 6.006 ( 5.539 -5.878 4.140) 9.076 6.135 ( -5.251 -1.673 -6.610) 8.606 6.283 ( -2.263 2.149 -5.480) 6.307 6.400 ( -7.070 -5.534 -10.603) 13.894 6.613 ( -4.380 13.177 8.471) 16.265 6.664 ( -0.185 3.639 4.859) 6.073 6.875 ( -3.823 -0.593 2.897) 4.833 7.004 ( -10.117 -2.688 -2.579) 10.781 7.176 ( 4.755 1.088 0.430) 4.897 7.301 ( -8.359 -6.180 10.850) 15.026 7.456 ( 1.647 -0.689 -5.101) 5.404 7.816 ( 3.814 1.108 1.848) 4.381 7.965 ( -0.351 -3.529 0.424) 3.572 8.012 ( 4.413 1.578 -6.332) 7.878 8.214 ( -4.567 -0.536 1.499) 4.836 8.247 ( -8.169 -0.302 0.436) 8.186 8.386 ( 3.374 3.269 -3.527) 5.875 8.661 ( -1.479 6.721 -1.263) 6.997 9.020 ( -1.269 -5.752 -4.228) 7.250 9.430 ( 7.824 1.399 -1.504) 8.089 9.506 ( -0.244 -1.542 3.029) 3.408 9.710 ( 6.482 -3.580 2.617) 7.854 10.012 ( -3.784 0.972 1.230) 4.096 10.281 ( -0.064 2.047 -2.654) 3.353 10.547 ( -0.016 -0.470 7.292) 7.307 11.055 ( -2.086 -1.282 -2.630) 3.593 11.126 ( 7.369 2.016 1.361) 7.760 11.555 ( -2.523 3.876 -0.711) 4.679 11.799 ( -2.771 -6.541 -11.856) 13.821 12.348 ( -3.730 2.846 0.781) 4.756 12.677 ( -0.754 0.841 -0.248) 1.156 13.374 ( 6.997 -1.034 10.762) 12.878 13.426 ( -1.827 0.937 0.839) 2.218 14.127 ( -2.320 -2.697 -2.016) 4.090 14.918 ( -3.638 7.754 -13.856) 16.290 15.669 ( 8.583 -11.579 -1.614) 14.503 17.384 ( -14.099 22.737 -7.142) 27.690 18.161 ( 3.271 -1.062 1.780) 3.873 19.185 ( -12.475 -7.988 -0.319) 14.816 19.698 ( 7.416 3.584 8.101) 11.552 21.078 ( 1.483 -0.205 1.916) 2.431 21.732 ( 1.587 -1.398 0.477) 2.168 21.852 ( 0.880 -4.131 0.227) 4.229 ======================= Grid point 222 (100/141) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 17.291 14.111 5.439) 22.971 2.505 ( 2.551 14.941 -1.101) 15.197 2.722 ( 10.858 2.166 -6.192) 12.686 2.805 ( 6.956 -1.898 -2.869) 7.760 3.222 ( 9.628 -4.355 13.659) 17.269 3.480 ( -6.347 -0.381 3.152) 7.097 3.696 ( -0.118 -0.931 -0.639) 1.135 3.813 ( -4.288 5.346 -8.927) 11.255 4.052 ( 1.885 -11.830 4.292) 12.725 4.285 ( 2.095 0.198 2.580) 3.329 4.322 ( -4.731 4.850 -7.200) 9.886 4.448 ( -0.421 -7.307 1.054) 7.394 4.577 ( -0.888 -0.901 -0.426) 1.334 4.666 ( -3.719 -10.765 2.537) 11.668 4.932 ( -1.375 1.235 -4.616) 4.973 5.041 ( 4.485 0.301 -11.882) 12.703 5.126 ( -6.992 1.866 -1.789) 7.455 5.295 ( 3.653 -2.631 3.184) 5.514 5.404 ( 3.924 -1.244 1.045) 4.247 5.431 ( -11.513 5.736 11.589) 17.314 5.626 ( 5.734 3.153 -4.122) 7.734 5.772 ( 2.070 0.418 5.224) 5.635 5.798 ( -1.628 6.754 0.755) 6.988 6.080 ( -1.722 -9.230 -9.505) 13.361 6.124 ( -2.120 2.032 0.334) 2.955 6.270 ( -6.842 -5.018 -8.106) 11.734 6.289 ( 8.755 -0.195 0.979) 8.812 6.491 ( -3.025 8.005 7.658) 11.484 6.664 ( 0.948 1.102 3.122) 3.443 6.800 ( -5.786 -0.255 2.028) 6.136 6.950 ( -1.013 -3.866 1.250) 4.187 7.200 ( 2.135 3.747 -3.268) 5.412 7.290 ( -7.978 -6.986 11.421) 15.584 7.466 ( 1.152 -0.003 -2.571) 2.817 7.853 ( 1.148 2.607 -1.088) 3.049 7.965 ( -0.734 -0.002 -2.954) 3.044 8.064 ( 7.409 0.926 -3.769) 8.364 8.138 ( -1.078 2.556 -0.338) 2.794 8.202 ( -1.961 -3.342 2.739) 4.745 8.397 ( 4.383 3.116 -4.833) 7.230 8.591 ( -1.183 3.178 0.436) 3.419 9.025 ( -1.085 -1.820 0.538) 2.186 9.394 ( -6.252 -1.114 0.414) 6.364 9.602 ( 3.476 -1.187 0.645) 3.730 9.839 ( 3.304 -3.238 0.483) 4.651 9.944 ( -3.992 0.183 2.048) 4.490 10.268 ( 1.897 1.977 -0.462) 2.779 10.578 ( -0.948 -0.868 6.639) 6.763 11.019 ( -2.642 -2.194 -2.816) 4.441 11.190 ( 1.705 2.982 -0.442) 3.463 11.476 ( 2.728 3.653 -5.846) 7.414 11.834 ( 2.212 -4.281 -0.559) 4.851 12.256 ( -4.746 1.081 -0.690) 4.917 12.652 ( -1.344 0.395 0.218) 1.418 13.392 ( -0.462 0.747 -0.532) 1.027 13.538 ( 4.106 -0.953 7.725) 8.801 14.170 ( 2.566 -5.003 4.165) 6.998 14.688 ( -6.487 7.740 -15.716) 18.681 15.906 ( 5.692 -12.429 0.837) 13.696 16.885 ( -21.758 15.343 3.323) 26.830 18.277 ( 11.963 1.552 -7.871) 14.404 19.061 ( -11.352 -6.305 1.374) 13.058 19.806 ( 6.405 5.333 7.916) 11.495 21.106 ( 1.900 0.094 -1.169) 2.233 21.772 ( 1.976 -0.973 -0.863) 2.366 21.902 ( 0.236 -3.446 0.875) 3.563 ======================= Grid point 223 (101/141) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -3.405 18.065 -2.051) 18.497 2.510 ( 11.968 13.240 12.417) 21.742 2.673 ( -6.798 11.617 -7.676) 15.495 2.812 ( -2.505 5.382 1.341) 6.086 3.385 ( 0.737 -0.590 -0.089) 0.948 3.507 ( 5.439 -3.131 6.046) 8.715 3.637 ( -3.119 1.574 -3.406) 4.879 3.719 ( -1.771 -0.762 -1.287) 2.318 4.160 ( -6.739 -1.612 -5.270) 8.706 4.184 ( 0.485 0.914 4.440) 4.559 4.272 ( -3.276 2.507 2.506) 4.827 4.474 ( -4.774 -6.483 4.096) 9.033 4.566 ( -3.219 -2.742 0.187) 4.233 4.702 ( -4.417 -5.562 -0.073) 7.103 4.869 ( -3.617 0.506 -2.712) 4.549 4.983 ( -3.168 0.999 -6.870) 7.631 5.058 ( 1.530 -6.221 -4.329) 7.732 5.221 ( -10.666 4.317 7.858) 13.933 5.425 ( 1.553 -9.412 1.507) 9.657 5.544 ( 7.216 -0.242 3.717) 8.120 5.603 ( -4.138 3.579 -4.861) 7.319 5.667 ( 0.374 4.382 -5.745) 7.235 5.787 ( -1.735 5.086 0.982) 5.463 6.062 ( -1.933 -2.889 -2.211) 4.120 6.126 ( 1.037 -4.655 -1.560) 5.018 6.228 ( -1.656 -6.346 -5.667) 8.668 6.402 ( -0.187 0.478 -4.812) 4.839 6.430 ( 2.784 4.854 7.563) 9.408 6.708 ( 1.737 -1.258 4.174) 4.693 6.804 ( 2.689 -3.720 0.515) 4.619 7.005 ( 2.149 -2.442 2.526) 4.119 7.171 ( 1.470 0.943 -4.032) 4.394 7.285 ( -7.504 -6.220 10.485) 14.316 7.462 ( 0.811 2.388 -0.458) 2.563 7.800 ( -2.433 2.029 -1.093) 3.351 7.941 ( 2.502 2.939 -6.847) 7.860 8.135 ( 4.681 -2.280 -5.427) 7.520 8.201 ( 7.021 0.059 -1.194) 7.122 8.236 ( 2.894 1.048 5.911) 6.664 8.420 ( 5.258 2.586 -5.688) 8.167 8.561 ( -0.790 1.467 3.002) 3.433 9.027 ( -1.444 0.217 4.636) 4.860 9.297 ( -9.080 -3.290 -0.212) 9.660 9.577 ( -6.951 0.070 -1.406) 7.092 9.855 ( -1.923 -0.231 2.140) 2.886 9.954 ( 1.907 -2.324 0.469) 3.043 10.290 ( 3.513 2.821 -0.763) 4.570 10.603 ( -0.429 -0.998 4.595) 4.722 10.992 ( -2.543 -3.028 -2.294) 4.572 11.122 ( -4.340 1.246 -3.353) 5.624 11.534 ( 10.079 5.359 -0.059) 11.415 11.884 ( 0.231 1.455 1.818) 2.340 12.201 ( -2.425 -3.499 0.443) 4.280 12.634 ( -1.097 -0.479 0.426) 1.271 13.396 ( 1.746 -0.863 -1.299) 2.342 13.575 ( -2.284 -0.360 -0.917) 2.487 14.307 ( 2.189 -2.899 3.095) 4.772 14.457 ( -3.762 2.972 -6.902) 8.404 16.043 ( -2.465 -4.298 0.281) 4.963 16.483 ( -18.913 2.124 9.205) 21.141 18.425 ( 14.392 1.730 -10.879) 18.124 18.983 ( -8.984 -10.001 1.574) 13.535 19.870 ( 5.734 9.323 9.256) 14.335 21.128 ( 2.414 0.248 -3.050) 3.897 21.800 ( 1.795 0.363 -1.864) 2.613 21.932 ( -0.249 -1.696 0.724) 1.861 ======================= Grid point 224 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -10.917 22.546 -2.917) 25.220 2.321 ( -13.315 13.620 -3.731) 19.409 2.562 ( -2.197 12.973 7.359) 15.075 2.741 ( 3.652 6.817 5.046) 9.235 3.227 ( -7.335 8.110 -17.300) 20.466 3.449 ( -24.827 4.889 5.218) 25.836 3.641 ( -1.579 -2.864 2.532) 4.136 3.714 ( 4.195 -2.429 8.730) 9.985 4.051 ( -4.355 0.605 -0.683) 4.449 4.140 ( -6.687 3.620 3.338) 8.304 4.260 ( 1.018 0.807 1.076) 1.687 4.422 ( -8.928 -1.427 4.323) 10.022 4.535 ( -0.680 -3.960 -0.585) 4.060 4.724 ( 3.686 -0.352 2.085) 4.250 4.822 ( -3.382 2.119 4.871) 6.297 4.881 ( -2.785 -1.173 -8.696) 9.207 5.159 ( 2.750 -1.848 1.994) 3.867 5.191 ( 4.373 -7.390 -3.216) 9.169 5.426 ( -4.566 2.543 -2.045) 5.612 5.556 ( -2.350 -1.812 -4.636) 5.505 5.564 ( -2.107 0.546 -0.691) 2.284 5.635 ( 1.163 -4.061 5.121) 6.639 5.761 ( 2.671 -0.874 -7.865) 8.352 6.036 ( -4.490 -1.335 -0.654) 4.730 6.199 ( 2.948 -3.621 1.827) 5.014 6.272 ( -0.008 -11.739 -9.392) 15.034 6.319 ( -2.219 1.051 -7.860) 8.235 6.520 ( 5.724 0.872 8.219) 10.053 6.757 ( 0.942 -0.182 2.744) 2.906 6.844 ( -2.130 -3.379 -4.160) 5.767 7.076 ( 2.030 -1.800 3.303) 4.274 7.221 ( 2.509 0.983 -1.515) 3.092 7.307 ( -2.033 -10.216 9.374) 14.014 7.471 ( 5.375 2.910 0.806) 6.165 7.768 ( 0.788 0.615 0.699) 1.220 7.917 ( 4.305 4.934 -9.095) 11.207 8.202 ( 0.846 -2.028 -0.085) 2.199 8.274 ( 3.491 -2.675 -1.054) 4.522 8.323 ( 6.835 6.517 2.974) 9.901 8.459 ( 5.268 2.383 -4.855) 7.550 8.576 ( 2.445 -0.930 3.250) 4.172 9.006 ( -5.992 -0.861 6.151) 8.630 9.162 ( -10.415 -2.669 -0.596) 10.768 9.400 ( -12.883 0.664 -1.524) 12.990 9.858 ( 0.704 -0.532 1.833) 2.034 10.014 ( 2.875 -1.573 0.032) 3.278 10.298 ( 3.343 4.888 -3.775) 7.023 10.619 ( -0.042 -0.771 -1.180) 1.410 10.951 ( -5.671 -2.882 -2.857) 6.973 11.057 ( -1.345 0.189 1.813) 2.265 11.651 ( 9.898 5.802 2.822) 11.815 11.826 ( -4.490 3.386 3.469) 6.607 12.244 ( -0.050 -5.570 1.953) 5.902 12.634 ( -0.120 -1.094 0.537) 1.225 13.451 ( 3.008 -3.153 -3.989) 5.908 13.477 ( -4.903 1.455 -6.511) 8.279 14.201 ( -4.690 2.819 -4.018) 6.789 14.579 ( 6.141 -6.221 10.111) 13.366 15.866 ( -11.333 9.906 -1.619) 15.139 16.359 ( -16.460 -13.768 14.890) 26.119 18.590 ( 12.793 -0.710 -9.670) 16.052 18.997 ( -4.758 -15.575 -1.812) 16.386 19.905 ( 7.271 13.731 11.370) 19.253 21.147 ( 2.490 0.175 -5.001) 5.589 21.803 ( 1.361 1.941 -2.311) 3.310 21.933 ( -0.700 0.382 -0.241) 0.833 ======================= Grid point 225 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -11.709 23.633 3.270) 26.576 1.995 ( -11.562 11.296 -0.762) 16.183 2.329 ( -12.452 7.515 -6.298) 15.849 2.679 ( -13.328 2.363 -3.821) 14.065 2.930 ( -14.254 12.217 0.943) 18.797 3.021 ( -9.868 13.561 12.784) 21.088 3.586 ( -3.732 2.772 -4.667) 6.587 3.785 ( -4.617 -1.630 4.404) 6.585 3.940 ( -6.547 5.352 -7.727) 11.455 4.050 ( 2.477 2.974 4.235) 5.737 4.153 ( -5.925 5.129 3.903) 8.755 4.460 ( -0.099 -3.640 11.214) 11.791 4.530 ( -4.265 -2.601 -1.916) 5.350 4.716 ( -6.129 0.973 -1.239) 6.328 4.794 ( 2.838 2.703 0.826) 4.005 4.911 ( 7.509 1.683 -0.317) 7.702 5.150 ( -3.287 2.749 -3.597) 5.594 5.353 ( 3.694 -4.032 3.352) 6.414 5.394 ( 4.114 0.477 -0.048) 4.142 5.509 ( 0.010 -5.527 -4.874) 7.369 5.551 ( 1.034 -1.608 -8.421) 8.636 5.737 ( -0.993 -7.023 4.811) 8.571 5.788 ( 2.188 -5.893 -4.454) 7.704 5.960 ( -3.357 -0.553 -5.687) 6.627 6.259 ( -2.549 -8.956 -4.178) 10.206 6.320 ( 3.639 -3.165 0.834) 4.894 6.362 ( 2.974 -10.182 -8.726) 13.736 6.598 ( 1.641 1.102 0.624) 2.073 6.793 ( -0.709 -3.041 -5.366) 6.208 6.819 ( -2.266 -4.890 8.759) 10.285 7.127 ( 0.036 -1.567 2.461) 2.918 7.207 ( -0.654 0.125 2.310) 2.404 7.436 ( 6.515 0.404 4.301) 7.817 7.614 ( 8.414 -4.508 0.730) 9.573 7.820 ( 4.597 -0.178 1.945) 4.995 7.900 ( 4.962 4.935 -8.350) 10.895 8.210 ( -0.961 1.026 1.319) 1.928 8.302 ( 3.265 7.772 -1.145) 8.508 8.348 ( -1.045 -0.349 4.248) 4.388 8.482 ( 2.956 3.891 1.057) 5.000 8.697 ( 7.089 -4.004 -1.870) 8.353 8.866 ( -14.522 -3.475 2.842) 15.201 9.076 ( -4.165 -0.712 2.650) 4.988 9.176 ( -11.922 1.481 -0.671) 12.033 9.884 ( -0.391 -1.024 1.444) 1.813 10.069 ( 3.185 0.980 -1.448) 3.633 10.262 ( 1.642 4.460 -6.816) 8.309 10.602 ( -0.961 -1.431 -6.494) 6.719 10.873 ( -4.805 -1.550 1.106) 5.169 11.057 ( -1.065 1.044 3.492) 3.797 11.699 ( -0.031 2.479 -3.130) 3.993 11.790 ( 0.876 3.596 10.808) 11.424 12.304 ( -0.602 -6.296 3.700) 7.327 12.653 ( 0.425 -1.153 -0.071) 1.231 13.361 ( 0.101 1.977 -3.240) 3.797 13.551 ( 5.482 -4.293 -4.457) 8.268 14.158 ( 1.365 -0.071 5.461) 5.629 14.782 ( 5.430 -6.716 8.577) 12.171 15.587 ( -9.518 10.231 -0.305) 13.977 16.246 ( -24.434 -12.807 14.850) 31.330 18.744 ( 5.621 -6.399 -1.293) 8.615 19.101 ( -1.181 -17.895 -8.341) 19.779 19.969 ( 12.876 15.699 12.281) 23.729 21.144 ( 0.746 0.270 -8.423) 8.461 21.787 ( 1.118 2.862 -2.234) 3.799 21.897 ( -1.446 2.523 -1.838) 3.440 ======================= Grid point 226 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -3.393 11.683 19.013) 22.572 1.678 ( -17.979 12.509 14.981) 26.536 2.035 ( -11.439 -6.769 -26.090) 29.280 2.319 ( -13.466 5.008 -22.358) 26.576 2.636 ( -8.847 20.605 33.251) 40.105 2.958 ( 1.292 8.667 11.132) 14.167 3.451 ( -1.516 6.529 -12.634) 14.302 3.628 ( -9.349 8.733 -10.880) 16.794 3.788 ( -1.799 -0.090 2.807) 3.335 4.074 ( -1.395 3.473 2.777) 4.660 4.156 ( 7.023 2.208 7.142) 10.257 4.392 ( -8.958 -1.503 -1.838) 9.267 4.561 ( 0.290 1.669 -2.376) 2.918 4.587 ( -6.038 1.583 6.870) 9.282 4.786 ( 2.001 4.318 -4.579) 6.604 4.997 ( 4.381 4.192 4.586) 7.602 5.051 ( -4.669 0.809 -5.235) 7.061 5.301 ( -2.676 3.838 1.809) 5.016 5.470 ( 3.741 0.371 -8.508) 9.302 5.555 ( -0.816 -5.731 -5.330) 7.869 5.658 ( 7.296 -5.660 1.577) 9.368 5.795 ( -0.278 -2.854 4.706) 5.511 5.883 ( 1.111 -6.779 -1.037) 6.948 5.944 ( 0.223 -9.225 -4.563) 10.294 6.292 ( -3.554 -12.535 -3.511) 13.494 6.424 ( 3.468 -4.542 0.055) 5.715 6.464 ( 3.337 -6.258 -5.914) 9.234 6.617 ( -0.414 -1.755 0.960) 2.043 6.807 ( 6.004 -3.348 -6.865) 9.715 6.879 ( -7.261 -8.752 10.454) 15.447 7.143 ( 2.925 2.042 1.858) 4.022 7.253 ( 0.966 -3.807 3.731) 5.417 7.554 ( 6.835 1.977 2.546) 7.557 7.740 ( 4.004 -0.893 -3.890) 5.654 7.881 ( 4.351 2.250 -2.486) 5.493 7.928 ( 5.515 1.095 -0.368) 5.634 8.117 ( -6.440 4.796 -0.212) 8.032 8.286 ( -11.225 1.292 3.665) 11.879 8.302 ( 5.985 7.327 -0.170) 9.462 8.461 ( -0.720 5.260 -1.781) 5.600 8.766 ( 4.918 -3.050 -2.185) 6.186 8.836 ( -0.736 -5.732 5.542) 8.007 8.994 ( -4.719 2.228 1.485) 5.426 9.054 ( -4.073 -0.045 1.826) 4.464 9.866 ( -3.376 -0.455 2.398) 4.166 10.020 ( -1.071 6.835 -8.066) 10.627 10.266 ( 1.634 -3.176 2.456) 4.335 10.562 ( -1.987 -2.954 -8.626) 9.332 10.872 ( 2.896 0.294 2.360) 3.747 11.016 ( -3.773 2.199 2.378) 4.973 11.668 ( 0.809 1.276 -0.976) 1.798 11.774 ( -4.448 1.408 3.327) 5.730 12.421 ( 3.728 -6.684 6.642) 10.133 12.650 ( -1.522 -0.635 -1.521) 2.244 13.452 ( 7.936 -1.989 6.506) 10.453 13.657 ( 4.997 -4.668 -5.946) 9.062 14.378 ( 21.557 -6.131 13.809) 26.325 14.955 ( 3.300 -7.115 5.083) 9.347 15.383 ( -3.562 9.073 1.048) 9.803 15.960 ( -31.868 -7.342 10.830) 34.449 18.894 ( -1.260 -14.177 8.421) 16.538 19.185 ( -2.580 -12.900 -8.646) 15.742 20.147 ( 19.242 10.976 9.568) 24.131 21.042 ( -6.701 3.313 -14.333) 16.166 21.767 ( 1.229 2.883 -1.820) 3.623 21.820 ( -2.503 4.302 -2.247) 5.461 ======================= Grid point 227 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 7.205 -7.326 30.919) 32.582 1.448 ( -5.005 10.188 26.382) 28.721 1.856 ( -5.961 -12.568 -32.679) 35.516 2.062 ( 3.208 4.509 -26.909) 27.472 2.544 ( 1.098 21.643 38.621) 44.286 2.976 ( 4.174 3.902 5.736) 8.096 3.315 ( 1.352 6.971 -14.217) 15.892 3.350 ( -3.357 10.473 -15.618) 19.101 3.863 ( 4.260 -3.232 7.502) 9.213 3.986 ( -6.467 1.937 -2.741) 7.287 4.267 ( 5.750 3.891 7.226) 10.021 4.338 ( 2.497 1.306 6.733) 7.299 4.427 ( -3.844 4.828 -5.604) 8.336 4.548 ( -2.927 0.534 -7.969) 8.506 4.795 ( 4.442 3.258 3.391) 6.469 4.869 ( -6.483 3.793 -5.299) 9.192 5.092 ( 2.903 0.872 9.201) 9.688 5.228 ( -3.433 1.368 -3.030) 4.779 5.501 ( 3.382 -0.096 -1.518) 3.708 5.552 ( -2.536 -3.492 -5.311) 6.843 5.778 ( 1.076 -2.951 3.220) 4.498 5.815 ( 0.130 -2.056 -0.510) 2.123 5.960 ( -5.344 -6.514 -1.453) 8.550 6.021 ( 5.922 -6.719 -4.130) 9.863 6.399 ( -0.342 -11.310 3.077) 11.726 6.489 ( -2.072 -9.484 -4.146) 10.557 6.548 ( 5.914 1.758 2.275) 6.576 6.609 ( -2.998 -7.202 -4.498) 9.005 6.823 ( -12.487 -6.984 9.369) 17.102 6.974 ( 8.971 -0.086 -3.714) 9.710 7.220 ( 5.631 0.235 3.396) 6.580 7.292 ( -2.855 -3.733 -0.573) 4.734 7.595 ( -1.020 1.833 3.844) 4.379 7.742 ( 0.310 -0.784 -6.487) 6.541 7.939 ( -2.104 2.953 2.379) 4.337 7.973 ( 1.696 2.636 -0.390) 3.159 8.044 ( -2.780 0.783 0.671) 2.965 8.061 ( 1.767 2.228 -0.820) 2.960 8.268 ( -5.944 7.450 4.207) 10.417 8.387 ( 5.400 7.035 -6.449) 10.965 8.851 ( -5.333 -2.861 2.430) 6.522 8.890 ( 4.176 -0.200 -0.368) 4.197 8.983 ( -1.823 -0.253 2.158) 2.837 9.046 ( 8.739 -1.344 -3.439) 9.487 9.827 ( -4.365 0.831 5.327) 6.937 9.928 ( 1.702 2.424 -5.033) 5.840 10.355 ( 1.779 -3.449 6.681) 7.726 10.517 ( -2.504 -3.535 -8.638) 9.663 10.932 ( -3.303 1.653 1.158) 3.871 10.960 ( 6.317 1.094 -1.348) 6.551 11.690 ( -4.287 0.427 0.865) 4.394 11.696 ( 3.470 1.047 0.158) 3.628 12.563 ( 3.649 -3.874 3.073) 6.145 12.612 ( -2.770 -0.701 -1.900) 3.431 13.579 ( -0.878 -3.393 7.137) 7.951 13.724 ( 1.122 -3.845 -6.424) 7.570 15.009 ( 4.217 -11.793 2.254) 12.725 15.049 ( 5.610 -11.762 -1.247) 13.091 15.484 ( 10.172 1.386 4.213) 11.096 15.524 ( 4.622 1.659 0.577) 4.944 19.048 ( -10.743 -22.922 14.242) 29.046 19.220 ( 1.499 -5.830 -3.812) 7.125 20.414 ( 14.013 3.886 9.000) 17.102 20.665 ( -18.327 15.879 -15.582) 28.824 21.734 ( -2.152 3.677 0.233) 4.267 21.756 ( 1.666 2.504 -1.474) 3.350 ======================= Grid point 230 (106/141) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 26.395 0.000 -8.248) 27.654 2.380 ( 18.188 0.000 -20.159) 27.152 2.723 ( 16.289 0.000 13.218) 20.977 2.787 ( 12.816 0.000 15.631) 20.213 2.867 ( 3.762 0.000 -10.007) 10.690 3.472 ( 11.139 0.000 9.193) 14.443 3.490 ( -0.658 -0.000 4.918) 4.962 3.795 ( -9.661 -0.000 -1.708) 9.811 3.972 ( -3.355 -0.000 -4.840) 5.889 4.147 ( 7.704 0.000 2.982) 8.261 4.251 ( 15.658 0.000 -7.836) 17.509 4.506 ( 3.499 0.000 9.917) 10.516 4.589 ( -3.702 -0.000 -2.879) 4.690 4.618 ( -10.745 -0.000 1.432) 10.841 4.939 ( 7.886 0.000 -13.564) 15.690 5.100 ( 2.767 0.000 -9.860) 10.241 5.154 ( -1.362 -0.000 -3.774) 4.013 5.258 ( 1.517 0.000 -0.873) 1.751 5.447 ( -0.640 -0.000 4.121) 4.171 5.568 ( 5.621 0.000 5.223) 7.673 5.636 ( 2.132 0.000 8.998) 9.247 5.701 ( -12.479 -0.000 8.490) 15.093 5.870 ( -0.937 -0.000 -0.495) 1.060 5.940 ( 5.126 0.000 6.282) 8.108 6.181 ( -5.748 -0.000 -1.963) 6.074 6.259 ( -10.102 -0.000 -10.240) 14.385 6.344 ( 1.220 0.000 -8.592) 8.678 6.666 ( -6.093 -0.000 3.418) 6.986 6.822 ( -3.556 -0.000 6.525) 7.431 6.862 ( 1.269 0.000 4.196) 4.384 6.983 ( -13.211 -0.000 -3.466) 13.659 7.172 ( 2.720 0.000 4.664) 5.399 7.234 ( -4.123 -0.000 6.778) 7.934 7.446 ( 1.331 0.000 -6.254) 6.394 7.803 ( 1.357 0.000 1.429) 1.970 7.927 ( 1.975 0.000 9.083) 9.295 8.031 ( 5.142 0.000 -9.580) 10.873 8.197 ( -4.996 -0.000 -1.221) 5.144 8.257 ( -8.023 -0.000 0.535) 8.041 8.416 ( 3.066 0.000 -0.768) 3.161 8.846 ( 0.528 0.000 2.192) 2.254 8.853 ( -0.659 -0.000 -13.175) 13.191 9.443 ( 10.587 0.000 -0.380) 10.594 9.488 ( -6.802 -0.000 5.373) 8.668 9.679 ( 8.563 0.000 2.116) 8.820 10.020 ( -4.325 -0.000 0.878) 4.413 10.303 ( -0.307 -0.000 -3.649) 3.662 10.542 ( -0.221 -0.000 7.546) 7.549 11.038 ( -2.557 -0.000 -3.096) 4.016 11.149 ( 8.119 0.000 1.901) 8.339 11.630 ( 2.520 0.000 7.657) 8.061 11.696 ( -7.108 -0.000 -20.797) 21.978 12.378 ( -4.797 -0.000 0.745) 4.855 12.684 ( -0.872 -0.000 -0.868) 1.231 13.364 ( 7.611 0.000 11.731) 13.984 13.436 ( -2.349 -0.000 0.415) 2.385 14.098 ( -3.305 -0.000 -2.072) 3.901 15.017 ( -4.208 -0.000 -13.168) 13.825 15.531 ( 9.134 0.000 -2.095) 9.371 17.639 ( -24.904 -0.000 -7.586) 26.034 18.156 ( 9.458 0.000 -4.671) 10.548 19.060 ( -9.068 -0.000 2.361) 9.370 19.761 ( 6.249 0.000 12.865) 14.302 21.074 ( 1.816 0.000 1.224) 2.190 21.719 ( 1.647 0.000 1.896) 2.511 21.802 ( 1.335 0.000 -1.302) 1.865 ======================= Grid point 231 (107/141) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 21.749 13.149 0.583) 25.422 2.614 ( 15.124 -6.623 -13.956) 21.619 2.818 ( 6.287 10.971 -6.207) 14.086 2.957 ( 15.076 11.800 10.581) 21.874 3.131 ( 11.853 -5.455 11.560) 17.432 3.475 ( -3.328 1.604 4.577) 5.882 3.674 ( -1.954 -2.484 2.319) 3.920 3.739 ( 3.004 -14.754 6.573) 16.429 3.919 ( 0.460 3.397 -0.476) 3.461 4.221 ( -0.492 -4.164 -0.213) 4.199 4.332 ( -8.490 -3.520 -3.891) 9.981 4.418 ( -2.594 2.899 -6.378) 7.470 4.527 ( -4.358 -2.496 -2.420) 5.575 4.577 ( -1.699 0.489 9.049) 9.220 4.964 ( -0.474 2.329 -10.942) 11.197 5.031 ( 2.157 -1.129 -14.018) 14.228 5.111 ( -5.442 -2.230 -4.080) 7.158 5.251 ( -1.733 -1.301 -0.666) 2.267 5.470 ( 3.573 5.064 1.620) 6.406 5.519 ( -11.578 1.985 9.451) 15.077 5.671 ( 3.343 2.000 1.955) 4.358 5.748 ( 2.633 -2.560 11.156) 11.745 5.847 ( -1.969 -4.421 -4.565) 6.653 5.971 ( -5.277 4.438 -6.321) 9.354 6.099 ( -3.836 -5.424 -0.737) 6.684 6.197 ( 4.339 -1.005 3.198) 5.483 6.320 ( 3.805 1.418 -10.206) 10.984 6.555 ( -7.652 0.905 4.465) 8.906 6.752 ( -8.245 2.665 -1.873) 8.865 6.861 ( -0.520 6.392 6.257) 8.960 6.872 ( 0.572 -3.355 4.570) 5.698 7.173 ( -5.457 -4.417 9.435) 11.760 7.274 ( 3.598 2.662 -0.870) 4.559 7.439 ( 0.790 -1.980 -5.199) 5.619 7.847 ( 2.198 -0.797 -0.190) 2.346 7.978 ( -1.971 0.599 6.796) 7.101 8.076 ( 4.023 0.083 -4.269) 5.866 8.120 ( -3.488 -2.385 -3.575) 5.535 8.185 ( 1.261 0.704 2.095) 2.544 8.455 ( 3.766 1.465 -2.204) 4.603 8.712 ( 0.161 8.274 -9.539) 12.629 8.946 ( 2.725 -6.004 -0.693) 6.630 9.375 ( -10.735 -0.642 6.743) 12.693 9.585 ( 5.246 -0.432 1.056) 5.368 9.794 ( 3.604 -1.138 0.818) 3.867 9.943 ( -5.048 -0.135 1.319) 5.220 10.298 ( 1.895 0.852 -1.075) 2.339 10.566 ( -1.274 -0.327 7.404) 7.520 10.982 ( -2.867 -1.157 -3.602) 4.747 11.240 ( 1.074 1.583 -1.457) 2.405 11.537 ( 3.316 2.135 -13.487) 14.052 11.758 ( 5.546 -2.755 7.353) 9.613 12.276 ( -7.164 0.661 -0.888) 7.249 12.656 ( -1.952 0.048 -0.704) 2.076 13.404 ( -1.100 0.382 -1.616) 1.993 13.525 ( 4.233 -0.333 9.133) 10.072 14.100 ( 2.117 -1.890 5.157) 5.887 14.823 ( -8.165 4.661 -15.213) 17.883 15.699 ( 7.452 -6.722 0.302) 10.040 17.120 ( -30.455 6.884 2.745) 31.344 18.318 ( 15.629 1.983 -14.483) 21.400 18.941 ( -11.476 -4.414 4.358) 13.046 19.911 ( 6.923 3.704 13.431) 15.558 21.105 ( 2.694 -0.104 -3.262) 4.232 21.758 ( 2.318 -0.168 0.507) 2.379 21.832 ( 1.043 -2.816 -0.224) 3.011 ======================= Grid point 232 (108/141) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 1.351 18.006 3.630) 18.418 2.723 ( 3.075 2.742 -3.488) 5.398 2.880 ( 16.246 15.717 -5.937) 23.371 3.057 ( 7.259 16.889 11.927) 21.913 3.325 ( 1.392 -4.886 6.422) 8.188 3.498 ( 7.028 1.706 5.778) 9.257 3.673 ( -2.044 -2.080 3.432) 4.504 3.754 ( -6.075 7.096 -7.059) 11.709 4.007 ( 2.310 -10.524 0.276) 10.778 4.232 ( -1.458 -4.557 -0.522) 4.813 4.283 ( -7.940 -10.089 1.911) 12.980 4.303 ( -4.004 3.111 0.491) 5.094 4.472 ( -5.653 -5.940 -2.789) 8.661 4.600 ( 0.616 -2.138 6.018) 6.416 4.846 ( -4.562 -1.574 -10.263) 11.341 4.959 ( -7.908 -2.593 -2.046) 8.570 5.030 ( -1.586 1.623 -10.781) 11.017 5.256 ( -1.935 -5.903 0.971) 6.288 5.302 ( -12.015 2.328 6.346) 13.786 5.574 ( 7.535 3.159 3.767) 8.997 5.624 ( -4.498 -2.001 -9.990) 11.137 5.791 ( -2.219 7.438 -2.269) 8.086 5.837 ( -0.458 -1.288 5.868) 6.026 5.888 ( -1.662 -9.316 -7.229) 11.909 6.115 ( -2.824 -6.260 2.906) 7.457 6.142 ( -3.802 5.696 -5.388) 8.714 6.420 ( 4.145 0.698 -3.100) 5.223 6.489 ( -0.722 -0.615 6.090) 6.163 6.677 ( 0.969 -1.376 -1.283) 2.116 6.800 ( -1.835 3.879 5.015) 6.600 6.953 ( 2.112 -1.771 5.479) 6.133 7.191 ( -3.314 -3.803 7.411) 8.965 7.251 ( 0.891 5.624 -2.022) 6.042 7.471 ( 2.270 -1.940 -1.798) 3.486 7.832 ( -1.784 2.038 -2.459) 3.658 7.960 ( -1.034 -0.072 1.838) 2.110 8.109 ( 0.389 -4.597 -4.302) 6.308 8.135 ( 3.751 -0.920 -1.178) 4.038 8.275 ( 7.513 1.054 2.657) 8.038 8.489 ( 5.552 2.986 -5.428) 8.319 8.625 ( 1.731 5.485 -3.815) 6.902 9.020 ( 0.678 -1.323 2.506) 2.914 9.235 ( -11.892 -2.784 3.773) 12.783 9.578 ( -6.579 0.027 -0.903) 6.641 9.825 ( -1.743 -2.047 1.214) 2.950 9.921 ( 0.979 -1.065 1.930) 2.412 10.340 ( 5.190 2.035 0.046) 5.575 10.587 ( -0.724 -0.591 6.559) 6.626 10.940 ( -2.308 -1.965 -3.098) 4.335 11.144 ( -5.670 0.894 -6.420) 8.612 11.620 ( 12.042 3.126 -4.064) 13.088 11.905 ( 5.217 0.585 7.719) 9.335 12.150 ( -7.549 -1.646 -0.122) 7.727 12.623 ( -1.727 -0.501 -0.835) 1.983 13.383 ( -0.080 -0.457 -2.381) 2.426 13.572 ( -1.462 -0.016 1.875) 2.378 14.237 ( 6.045 -2.878 9.391) 11.533 14.552 ( -9.987 4.849 -12.898) 17.018 15.872 ( 2.799 -8.885 2.536) 9.655 16.613 ( -25.807 6.921 2.745) 26.860 18.469 ( 14.471 2.435 -13.400) 19.872 18.826 ( -11.391 -5.885 4.347) 13.538 20.034 ( 6.794 6.619 13.829) 16.769 21.131 ( 3.307 0.142 -5.569) 6.479 21.797 ( 2.547 -0.197 -1.357) 2.892 21.878 ( 0.544 -3.277 0.582) 3.372 ======================= Grid point 233 (109/141) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -5.066 23.955 2.025) 24.569 2.571 ( -9.112 11.386 -10.097) 17.738 2.861 ( -0.082 16.596 10.493) 19.635 2.979 ( -1.678 16.022 5.633) 17.066 3.377 ( -1.354 3.365 -3.761) 5.225 3.520 ( -11.466 6.256 -1.178) 13.115 3.613 ( 2.371 1.180 3.277) 4.213 3.688 ( 1.605 -0.188 7.784) 7.950 4.023 ( -3.676 -3.667 -3.020) 6.007 4.173 ( -6.034 -0.757 4.835) 7.770 4.269 ( 3.045 -0.708 0.614) 3.186 4.346 ( -5.850 -4.673 1.712) 7.681 4.445 ( -0.650 -5.567 -1.873) 5.910 4.691 ( 4.692 -3.161 2.550) 6.206 4.791 ( -2.582 -4.909 -0.443) 5.564 4.858 ( -6.928 0.147 -7.301) 10.066 5.012 ( 4.586 -8.400 -2.797) 9.970 5.169 ( -3.584 1.259 5.695) 6.845 5.326 ( -0.599 -10.735 -3.055) 11.178 5.512 ( -3.965 -0.411 -6.680) 7.779 5.634 ( -5.518 6.259 3.111) 8.905 5.680 ( 3.985 0.210 -9.685) 10.475 5.819 ( -4.268 5.602 3.010) 7.659 5.915 ( -0.874 -7.113 -4.692) 8.566 6.078 ( -0.752 -6.112 -3.249) 6.963 6.118 ( -5.240 -4.306 2.673) 7.290 6.375 ( 0.283 2.344 -7.438) 7.804 6.537 ( -1.516 0.336 9.767) 9.890 6.725 ( 0.469 -2.050 3.016) 3.677 6.793 ( -0.267 -2.499 -5.693) 6.223 7.035 ( 2.821 -2.187 4.510) 5.752 7.195 ( -1.578 -0.589 5.522) 5.773 7.236 ( 3.466 1.687 0.603) 3.902 7.526 ( 4.912 0.965 -0.098) 5.007 7.786 ( 0.811 1.605 -1.938) 2.644 7.969 ( 0.708 -0.323 -0.646) 1.011 8.128 ( 1.164 -3.372 -5.487) 6.545 8.217 ( 2.546 -3.179 2.237) 4.647 8.398 ( 7.400 0.705 0.173) 7.435 8.517 ( 4.994 3.368 -5.993) 8.497 8.618 ( 4.166 4.882 1.815) 6.670 8.992 ( -8.948 -0.420 6.448) 11.037 9.103 ( -7.901 -3.295 -1.001) 8.619 9.412 ( -11.732 0.549 -1.829) 11.887 9.824 ( -1.442 -2.495 2.145) 3.592 9.975 ( 2.116 -1.975 1.324) 3.183 10.400 ( 6.911 4.828 -4.164) 9.402 10.604 ( -0.765 -0.754 0.171) 1.088 10.906 ( -3.500 -1.570 -1.483) 4.113 11.053 ( -2.244 -0.476 0.401) 2.329 11.755 ( 9.888 4.300 -2.675) 11.110 11.898 ( -5.165 3.852 5.837) 8.694 12.147 ( 0.493 -4.297 4.568) 6.291 12.609 ( -0.480 -1.279 -1.058) 1.728 13.393 ( 1.024 -2.545 -3.103) 4.142 13.513 ( -3.593 1.968 -2.944) 5.045 14.257 ( -6.518 2.884 -6.248) 9.478 14.477 ( 4.645 -4.462 9.197) 11.228 15.940 ( -5.496 -3.473 1.444) 6.660 16.223 ( -19.022 1.077 5.638) 19.869 18.591 ( 7.534 0.585 -5.820) 9.538 18.766 ( -3.777 -8.298 -3.329) 9.706 20.133 ( 6.955 9.256 15.044) 18.983 21.151 ( 3.247 0.384 -7.107) 7.823 21.826 ( 2.155 0.494 -2.249) 3.154 21.911 ( -0.083 -2.163 0.109) 2.167 ======================= Grid point 234 (110/141) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -6.642 29.676 2.344) 30.500 2.236 ( -7.647 14.116 -13.393) 20.907 2.566 ( -21.274 14.526 1.387) 25.798 2.769 ( -14.369 6.680 -0.044) 15.846 3.122 ( -12.955 7.620 5.330) 15.947 3.344 ( 1.772 18.466 5.561) 19.366 3.635 ( 0.081 2.298 3.113) 3.870 3.759 ( -1.879 -0.304 4.939) 5.293 3.985 ( -2.110 -0.652 -2.585) 3.399 4.112 ( -0.703 2.361 -3.570) 4.337 4.252 ( -2.290 4.590 5.336) 7.402 4.377 ( 0.273 -4.440 6.470) 7.851 4.477 ( -1.300 -3.005 -0.406) 3.299 4.709 ( -3.570 0.427 -0.967) 3.723 4.818 ( 1.188 -1.713 3.433) 4.016 4.887 ( 7.737 -5.374 0.024) 9.420 5.175 ( 3.537 -6.101 -4.923) 8.600 5.231 ( 7.289 -2.186 1.323) 7.724 5.368 ( -0.168 -2.131 -3.291) 3.924 5.470 ( -4.899 0.786 -3.224) 5.917 5.496 ( -0.152 -6.267 -1.558) 6.459 5.684 ( -0.460 4.912 2.588) 5.571 5.726 ( -1.543 -3.241 -8.263) 9.009 5.911 ( -5.070 -4.937 -0.842) 7.126 6.045 ( -6.715 -6.368 -6.349) 11.223 6.167 ( -0.084 -9.663 -2.152) 9.900 6.338 ( 3.397 2.206 -5.846) 7.112 6.569 ( -2.840 -4.275 8.673) 10.077 6.729 ( -3.807 -2.598 1.072) 4.733 6.764 ( -1.222 -1.612 -5.207) 5.586 7.098 ( 1.000 -0.895 3.694) 3.931 7.195 ( -1.864 -1.519 2.698) 3.614 7.385 ( 10.953 -3.115 3.179) 11.823 7.609 ( 7.305 1.631 -0.863) 7.535 7.821 ( 4.827 0.603 1.259) 5.025 7.976 ( 2.885 1.872 -3.909) 5.207 8.157 ( -1.509 -5.380 -0.521) 5.612 8.288 ( 1.119 -2.790 1.698) 3.453 8.448 ( 0.795 3.976 -0.839) 4.141 8.531 ( 3.022 1.312 -3.054) 4.493 8.676 ( 4.880 2.179 4.555) 7.022 8.827 ( -11.711 -0.579 0.921) 11.761 9.049 ( -3.429 -1.776 1.804) 4.262 9.207 ( -10.696 1.721 -1.579) 10.948 9.846 ( -1.093 -2.526 2.986) 4.061 10.037 ( 2.050 -2.703 1.884) 3.880 10.387 ( 2.339 6.167 -14.205) 15.662 10.573 ( -1.759 -1.335 -7.214) 7.545 10.863 ( -1.711 0.645 4.200) 4.581 11.072 ( 0.736 0.418 5.123) 5.192 11.732 ( -4.954 0.843 -0.983) 5.121 11.889 ( 3.509 6.163 5.383) 8.904 12.205 ( -0.787 -3.806 5.935) 7.095 12.621 ( 0.406 -1.882 -1.581) 2.491 13.398 ( -0.219 0.905 -2.556) 2.720 13.475 ( 2.832 -2.360 -3.346) 4.978 14.155 ( -1.453 -0.115 1.672) 2.218 14.653 ( 4.143 -6.516 8.031) 11.141 15.761 ( -10.589 6.993 -0.614) 12.705 16.045 ( -15.914 -7.085 8.592) 19.424 18.630 ( -5.176 -5.600 9.489) 12.173 18.848 ( 8.524 -8.009 -17.992) 21.459 20.228 ( 8.292 10.726 16.599) 21.432 21.152 ( 1.966 0.640 -9.368) 9.594 21.833 ( 1.458 1.681 -2.157) 3.099 21.914 ( -0.873 -0.442 -1.271) 1.604 ======================= Grid point 235 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -2.818 30.590 5.689) 31.242 1.942 ( -6.834 14.295 -6.886) 17.276 2.059 ( -21.536 8.945 -6.219) 24.135 2.399 ( -16.249 3.242 -14.782) 22.204 3.006 ( 1.810 16.304 20.844) 26.525 3.200 ( -3.514 15.691 10.154) 19.017 3.584 ( -0.531 7.128 -4.266) 8.324 3.715 ( -3.907 -0.119 5.782) 6.979 3.862 ( -5.671 5.758 -6.671) 10.480 4.128 ( 3.109 1.067 -8.607) 9.213 4.215 ( 1.826 5.616 8.033) 9.970 4.380 ( -2.227 0.017 2.214) 3.140 4.526 ( 1.660 -2.304 4.253) 5.114 4.643 ( -4.699 2.180 1.322) 5.346 4.870 ( 3.556 2.582 -0.705) 4.451 5.037 ( 1.389 -0.524 7.286) 7.436 5.095 ( -1.141 3.125 -5.750) 6.644 5.364 ( -1.698 0.541 1.918) 2.617 5.428 ( 0.900 -5.598 -5.868) 8.160 5.444 ( 4.936 -3.516 -8.017) 10.049 5.574 ( 6.767 -3.213 -1.172) 7.582 5.689 ( -0.595 -5.011 7.063) 8.681 5.733 ( 0.337 -6.492 -3.294) 7.288 5.850 ( -5.687 -2.344 -3.080) 6.879 6.014 ( -4.259 -13.821 -7.106) 16.114 6.223 ( -1.592 -10.795 -10.308) 15.011 6.420 ( 7.766 -1.764 0.402) 7.974 6.592 ( -1.535 -2.998 1.410) 3.651 6.701 ( -9.003 -7.507 8.994) 14.775 6.759 ( 3.081 -1.992 -6.047) 7.073 7.138 ( 0.925 -1.396 3.435) 3.822 7.207 ( -0.290 -1.726 2.193) 2.805 7.579 ( 7.649 -0.410 2.268) 7.988 7.710 ( 6.084 -0.750 -2.319) 6.554 7.908 ( 5.003 0.217 1.578) 5.250 7.992 ( 5.656 3.802 -4.580) 8.211 8.151 ( -5.676 -2.174 -0.134) 6.079 8.284 ( -7.962 -1.052 3.461) 8.745 8.404 ( 1.060 2.689 -0.294) 2.905 8.522 ( -1.660 0.817 -3.028) 3.548 8.698 ( -2.361 -3.373 9.225) 10.102 8.792 ( 6.896 2.212 -3.196) 7.916 9.020 ( -3.809 -0.080 3.369) 5.085 9.061 ( -3.753 1.368 -1.324) 4.208 9.851 ( -2.581 -1.042 3.996) 4.870 10.101 ( 0.750 -0.231 -0.395) 0.878 10.240 ( -3.428 1.610 -11.685) 12.284 10.510 ( -2.932 -1.950 -10.117) 10.713 10.902 ( 5.726 2.776 4.008) 7.520 11.066 ( -2.386 2.891 3.236) 4.952 11.681 ( -0.532 -0.066 1.310) 1.415 11.833 ( -4.733 4.628 0.857) 6.675 12.307 ( 3.622 -4.722 10.036) 11.668 12.624 ( -1.433 -1.892 -2.902) 3.749 13.429 ( 3.951 -0.438 3.301) 5.167 13.555 ( 3.778 -5.309 -4.806) 8.097 14.271 ( 11.600 -4.645 9.516) 15.707 14.792 ( -0.634 -9.109 3.915) 9.935 15.555 ( -4.749 8.223 1.502) 9.614 15.856 ( -18.574 -3.013 5.533) 19.614 18.657 ( -8.435 -9.664 15.965) 20.479 18.974 ( 8.028 -8.521 -19.929) 23.113 20.354 ( 9.942 9.489 17.434) 22.200 21.092 ( -1.805 2.137 -13.492) 13.779 21.822 ( 0.917 2.491 -1.300) 2.956 21.878 ( -1.623 1.674 -2.662) 3.539 ======================= Grid point 236 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.510 19.424 15.598) 25.158 1.698 ( -3.423 14.445 15.841) 21.710 1.738 ( -4.916 2.750 -23.984) 24.637 2.165 ( 3.905 4.826 -22.700) 23.533 2.967 ( 1.012 20.148 26.262) 33.116 3.093 ( 0.859 8.808 10.430) 13.679 3.458 ( -1.398 9.141 -7.661) 12.008 3.610 ( 0.875 12.167 -12.296) 17.320 3.808 ( 0.504 -1.946 10.246) 10.441 4.033 ( -4.341 2.416 -9.939) 11.111 4.286 ( 4.508 0.614 7.669) 8.917 4.399 ( 3.379 2.755 2.196) 4.881 4.519 ( -5.426 4.038 -1.163) 6.863 4.566 ( 2.283 1.230 -1.875) 3.200 4.871 ( 1.922 4.182 1.150) 4.744 4.961 ( -3.049 4.378 -8.370) 9.926 5.129 ( 1.827 2.955 10.518) 11.077 5.281 ( -3.953 4.122 -1.399) 5.880 5.455 ( -1.576 -5.460 -4.154) 7.039 5.478 ( 1.745 -3.534 -6.436) 7.548 5.714 ( 1.341 -2.740 4.272) 5.249 5.761 ( -0.175 -3.583 -0.052) 3.588 5.798 ( -3.794 -8.746 -1.166) 9.605 5.858 ( 4.530 -10.127 0.555) 11.108 6.104 ( 0.530 -14.660 -2.054) 14.812 6.252 ( -1.354 -13.260 -13.174) 18.741 6.553 ( 2.475 -1.607 1.389) 3.261 6.570 ( -1.319 -0.241 0.189) 1.354 6.669 ( -10.682 -7.508 11.614) 17.475 6.896 ( 12.177 -6.593 -8.954) 16.490 7.200 ( 1.638 -3.441 4.319) 5.760 7.220 ( -2.433 -1.997 1.919) 3.686 7.634 ( -0.637 2.122 2.416) 3.278 7.735 ( -1.821 -0.358 -4.841) 5.185 8.005 ( 5.336 2.914 1.288) 6.215 8.018 ( -6.269 1.160 1.086) 6.468 8.080 ( 1.590 2.162 0.668) 2.765 8.116 ( -1.127 2.612 -2.268) 3.638 8.391 ( -2.752 4.082 3.435) 6.003 8.482 ( 2.700 2.006 -5.191) 6.185 8.779 ( -4.201 -3.821 6.260) 8.452 8.872 ( 6.852 -1.223 -2.741) 7.481 8.983 ( -1.050 0.518 2.881) 3.110 9.036 ( 2.411 0.427 -1.865) 3.078 9.844 ( -0.917 0.853 6.035) 6.164 9.987 ( -3.369 3.133 -8.177) 9.383 10.274 ( 2.065 -4.381 5.435) 7.280 10.438 ( -3.408 -4.030 -9.538) 10.901 10.985 ( -2.807 3.615 0.565) 4.611 10.999 ( 6.974 3.008 -0.898) 7.648 11.702 ( -1.749 0.837 2.140) 2.888 11.730 ( 0.945 2.400 -0.517) 2.631 12.470 ( 4.087 -5.112 8.148) 10.452 12.587 ( -3.187 -1.821 -3.798) 5.282 13.506 ( -0.537 -3.520 5.380) 6.451 13.628 ( 1.120 -5.517 -5.846) 8.116 14.719 ( 22.147 -14.975 7.282) 27.708 14.803 ( -12.770 -12.082 -1.696) 17.661 15.548 ( 14.581 4.650 4.592) 15.979 15.597 ( -11.856 4.933 0.104) 12.841 18.695 ( -12.369 -12.743 21.046) 27.537 19.078 ( 5.991 -8.113 -15.656) 18.623 20.510 ( 6.279 5.477 17.747) 19.605 20.897 ( -6.392 8.178 -18.590) 21.291 21.797 ( -1.473 2.656 0.061) 3.038 21.822 ( 0.874 3.537 -2.553) 4.449 ======================= Grid point 237 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 6.954 -1.586 16.425) 17.906 1.561 ( 3.173 -0.951 -21.331) 21.586 1.813 ( 16.691 9.379 21.852) 29.052 2.176 ( 16.673 7.902 -20.832) 27.828 2.968 ( 7.414 17.360 23.418) 30.078 3.122 ( 8.070 4.100 -1.215) 9.133 3.299 ( -1.873 8.618 -10.436) 13.664 3.494 ( 8.014 14.300 -8.165) 18.314 3.840 ( -3.425 -0.227 1.407) 3.709 4.003 ( 5.233 -1.650 4.364) 7.011 4.351 ( -3.588 2.337 -9.445) 10.370 4.390 ( 4.255 1.305 3.905) 5.921 4.469 ( 3.533 0.196 3.313) 4.847 4.614 ( 9.191 9.440 -0.621) 13.190 4.774 ( -5.611 1.656 -2.850) 6.507 4.921 ( 3.765 4.543 2.340) 6.348 5.145 ( -4.266 0.653 -0.869) 4.402 5.203 ( 0.729 2.120 7.790) 8.106 5.443 ( -2.658 -2.132 -5.094) 6.129 5.510 ( -0.085 -4.000 -0.820) 4.084 5.702 ( -5.628 -6.025 -1.360) 8.356 5.788 ( -4.839 -6.340 3.170) 8.582 5.839 ( 1.597 -1.939 -0.246) 2.524 6.011 ( 2.909 -7.495 -4.696) 9.311 6.258 ( -1.042 -16.947 1.884) 17.083 6.350 ( 2.912 -11.220 -4.712) 12.513 6.488 ( -5.158 -2.379 -1.536) 5.885 6.595 ( -9.002 -5.378 6.815) 12.506 6.662 ( 3.199 0.572 3.116) 4.502 7.084 ( 7.719 -1.491 -5.423) 9.551 7.160 ( -6.826 -1.648 -1.647) 7.213 7.283 ( 0.959 -2.925 1.704) 3.519 7.582 ( -5.102 1.527 6.790) 8.629 7.660 ( -4.470 -1.359 -6.198) 7.761 7.859 ( -8.395 2.185 0.260) 8.678 7.914 ( -5.101 1.203 1.102) 5.356 8.114 ( 7.430 3.792 0.439) 8.354 8.258 ( -4.232 8.084 3.279) 9.696 8.338 ( 15.288 2.127 -1.370) 15.496 8.473 ( 0.307 4.094 -1.566) 4.394 8.715 ( -7.924 -4.277 1.340) 9.103 8.919 ( 1.285 0.489 -0.755) 1.568 9.030 ( 6.385 -0.531 -2.251) 6.791 9.114 ( 5.601 -3.097 -3.652) 7.368 9.819 ( -3.158 4.119 5.032) 7.229 9.962 ( 3.700 -0.498 -1.211) 3.925 10.352 ( -2.081 -4.989 1.651) 5.652 10.416 ( 0.579 -3.685 -1.446) 4.001 10.909 ( -1.040 2.141 -1.389) 2.756 11.072 ( 5.473 2.357 -3.061) 6.699 11.642 ( -2.797 1.387 1.549) 3.486 11.802 ( 7.336 1.263 0.372) 7.453 12.522 ( -4.785 -2.620 -3.616) 6.545 12.598 ( 2.749 -3.128 3.454) 5.410 13.526 ( -4.393 -3.549 5.733) 8.047 13.606 ( -7.067 -3.953 -6.951) 10.671 14.591 ( -20.437 -8.664 -7.086) 23.301 15.054 ( 2.705 -7.962 -4.455) 9.516 15.423 ( 2.254 9.750 -2.196) 10.245 16.158 ( 46.227 -19.556 -6.910) 50.666 18.690 ( -18.881 -14.360 23.311) 33.258 19.200 ( 5.795 -9.262 -5.792) 12.365 20.337 ( -20.989 16.143 -5.005) 26.948 20.801 ( 9.667 5.129 4.329) 11.769 21.739 ( -1.425 3.131 0.439) 3.468 21.812 ( 2.193 3.408 -0.602) 4.097 ======================= Grid point 241 (114/141) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -1.622 -0.000 6.072) 6.285 2.715 ( 8.487 0.000 -5.217) 9.962 3.106 ( 21.497 0.000 -4.402) 21.943 3.250 ( 1.450 0.000 4.775) 4.990 3.316 ( 13.653 0.000 8.236) 15.945 3.562 ( 2.060 0.000 7.672) 7.944 3.563 ( 4.168 0.000 5.288) 6.733 3.800 ( 3.006 0.000 0.877) 3.132 3.933 ( -10.329 -0.000 -0.495) 10.341 4.125 ( -6.767 -0.000 -6.842) 9.623 4.129 ( 0.934 0.000 7.447) 7.505 4.371 ( -5.139 -0.000 -3.507) 6.222 4.404 ( -7.020 -0.000 -2.427) 7.428 4.590 ( -1.191 -0.000 7.996) 8.085 4.841 ( -7.295 -0.000 -15.893) 17.487 4.914 ( -5.697 -0.000 -2.166) 6.095 5.054 ( -0.263 -0.000 -13.109) 13.112 5.193 ( -3.901 -0.000 -0.624) 3.950 5.327 ( -13.983 -0.000 7.099) 15.682 5.576 ( -7.494 -0.000 -12.941) 14.954 5.640 ( 7.124 0.000 2.608) 7.586 5.758 ( -2.362 -0.000 5.970) 6.420 5.824 ( 0.889 0.000 2.119) 2.298 5.956 ( -6.139 -0.000 -1.376) 6.291 5.964 ( -1.353 -0.000 1.253) 1.844 6.228 ( -2.703 -0.000 -4.747) 5.462 6.429 ( 10.449 0.000 -2.061) 10.650 6.460 ( -6.670 -0.000 4.523) 8.059 6.670 ( 0.492 0.000 -3.097) 3.136 6.850 ( -4.944 -0.000 2.451) 5.518 6.955 ( 2.261 0.000 7.584) 7.914 7.130 ( -0.857 -0.000 6.422) 6.479 7.355 ( 2.640 0.000 2.735) 3.801 7.408 ( 1.267 0.000 -4.866) 5.028 7.865 ( -2.485 -0.000 0.806) 2.613 7.988 ( 4.137 0.000 0.433) 4.160 8.001 ( -5.145 -0.000 -0.572) 5.177 8.140 ( 3.387 0.000 -2.492) 4.205 8.282 ( 7.085 0.000 1.052) 7.163 8.515 ( 4.785 0.000 -4.138) 6.327 8.709 ( 1.834 0.000 -9.366) 9.544 8.990 ( 4.009 0.000 0.803) 4.089 9.206 ( -14.193 -0.000 7.739) 16.166 9.578 ( -6.413 -0.000 -0.838) 6.468 9.802 ( -1.739 -0.000 1.204) 2.115 9.911 ( 0.546 0.000 1.851) 1.930 10.361 ( 5.846 0.000 0.653) 5.883 10.581 ( -0.905 -0.000 7.316) 7.372 10.921 ( -1.969 -0.000 -3.206) 3.762 11.154 ( -6.417 -0.000 -7.967) 10.230 11.651 ( 12.642 0.000 -5.475) 13.777 11.910 ( 7.953 0.000 10.409) 13.099 12.135 ( -10.098 -0.000 -0.654) 10.119 12.618 ( -1.967 -0.000 -1.282) 2.347 13.379 ( -0.854 -0.000 -2.858) 2.983 13.572 ( -1.002 -0.000 2.966) 3.131 14.208 ( 6.661 0.000 10.797) 12.686 14.605 ( -12.165 -0.000 -14.805) 19.162 15.776 ( 4.826 0.000 2.996) 5.680 16.686 ( -28.062 -0.000 1.626) 28.109 18.499 ( 15.048 0.000 -16.982) 22.689 18.763 ( -12.045 -0.000 7.531) 14.206 20.103 ( 6.070 0.000 16.027) 17.138 21.133 ( 4.014 0.000 -7.093) 8.150 21.801 ( 2.693 0.000 -0.098) 2.695 21.834 ( 1.209 0.000 -0.311) 1.249 ======================= Grid point 242 (115/141) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -7.845 9.216 7.418) 14.196 2.737 ( -2.403 4.789 -2.624) 5.966 3.161 ( -5.355 9.126 5.833) 12.082 3.226 ( -9.090 6.461 3.403) 11.659 3.436 ( -2.573 9.217 -0.052) 9.570 3.616 ( -2.011 -4.344 3.174) 5.743 3.661 ( 8.259 5.055 2.964) 10.126 3.775 ( 9.485 6.324 2.705) 11.716 3.929 ( -0.825 -1.978 -2.508) 3.299 4.061 ( 2.107 -8.200 -0.299) 8.472 4.236 ( -4.180 -3.496 1.251) 5.591 4.304 ( 3.301 -1.829 4.345) 5.755 4.326 ( -2.223 -2.795 -5.087) 6.215 4.633 ( 0.641 -2.498 7.260) 7.704 4.699 ( -1.664 -2.352 -10.423) 10.814 4.846 ( -2.994 -1.101 -2.972) 4.360 4.938 ( -2.752 -0.083 -8.344) 8.787 5.137 ( -5.404 -6.948 -5.048) 10.147 5.179 ( -7.707 -0.070 8.469) 11.451 5.460 ( -2.000 -2.922 -9.014) 9.685 5.675 ( -1.538 2.804 -0.881) 3.318 5.763 ( -4.646 -0.908 -1.079) 4.855 5.813 ( -3.296 1.329 3.051) 4.684 5.872 ( 5.258 0.414 -0.694) 5.320 5.989 ( -5.837 -6.345 4.963) 9.947 6.108 ( -5.092 3.946 -4.630) 7.933 6.397 ( -3.267 -0.185 1.362) 3.544 6.538 ( 3.720 0.492 -4.419) 5.797 6.700 ( 1.039 -0.566 2.802) 3.042 6.753 ( -5.733 -1.450 -1.919) 6.217 7.022 ( 3.276 0.540 3.021) 4.489 7.170 ( 0.499 -1.602 2.954) 3.398 7.341 ( 1.424 7.300 4.077) 8.481 7.485 ( 3.855 -4.814 1.603) 6.372 7.820 ( 0.361 1.038 -4.477) 4.610 7.940 ( -2.508 -0.809 2.233) 3.455 8.077 ( 2.722 -2.285 -3.131) 4.736 8.176 ( 1.937 -0.623 1.505) 2.531 8.394 ( 7.047 -0.418 -1.926) 7.317 8.561 ( 4.410 1.054 -6.354) 7.806 8.723 ( 5.508 4.082 -1.569) 7.033 8.987 ( -12.918 -0.266 7.681) 15.031 9.043 ( -3.695 -2.227 -1.706) 4.639 9.420 ( -10.818 0.215 -2.231) 11.048 9.781 ( -1.933 -1.443 1.960) 3.108 9.946 ( 1.595 -0.823 1.707) 2.477 10.470 ( 8.627 2.063 -3.358) 9.485 10.591 ( -1.881 -0.514 0.863) 2.132 10.889 ( -1.486 -0.330 0.307) 1.552 11.044 ( -3.055 -0.345 -0.879) 3.198 11.811 ( 8.147 1.454 -4.054) 9.215 11.965 ( -6.050 2.405 3.762) 7.519 12.080 ( 3.590 -2.262 8.004) 9.059 12.590 ( -0.784 -0.568 -1.948) 2.176 13.358 ( -0.349 -0.955 -2.687) 2.872 13.544 ( -2.460 0.911 -0.437) 2.659 14.318 ( -6.857 3.383 -6.254) 9.877 14.396 ( 1.930 -3.840 5.396) 6.899 15.853 ( -0.311 -2.951 4.816) 5.657 16.279 ( -21.692 2.205 0.451) 21.809 18.608 ( -2.397 1.044 1.324) 2.930 18.657 ( 4.188 -3.141 -9.733) 11.051 20.258 ( 5.547 3.325 17.476) 18.634 21.160 ( 4.261 0.339 -9.066) 10.023 21.834 ( 2.491 0.682 -1.483) 2.978 21.865 ( 1.054 -2.091 -0.007) 2.342 ======================= Grid point 243 (116/141) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -10.382 15.018 6.132) 19.259 2.529 ( -7.142 13.983 -7.410) 17.362 2.836 ( -21.534 10.946 -1.854) 24.227 2.903 ( -24.211 6.291 6.204) 25.772 3.296 ( 1.856 11.414 -1.693) 11.687 3.623 ( -2.835 4.632 8.146) 9.790 3.666 ( 0.526 3.758 6.840) 7.822 3.856 ( -1.610 7.576 -1.476) 7.885 3.946 ( 6.364 0.945 -0.908) 6.497 4.124 ( 2.076 -0.984 -4.241) 4.823 4.285 ( 0.583 -1.718 -6.434) 6.685 4.307 ( 4.468 -2.785 10.040) 11.337 4.420 ( 2.085 -2.245 1.413) 3.374 4.705 ( 2.500 -5.768 -0.940) 6.356 4.757 ( -0.942 0.249 5.417) 5.504 4.768 ( 3.960 -4.149 -4.387) 7.221 5.036 ( 7.914 -5.579 -1.921) 9.871 5.170 ( 1.154 -14.581 -4.575) 15.326 5.180 ( 2.463 -3.026 6.221) 7.343 5.439 ( 0.731 -1.629 -7.800) 8.001 5.576 ( -8.656 4.870 2.050) 10.142 5.627 ( -3.004 1.150 -8.670) 9.248 5.796 ( -6.242 0.354 7.033) 9.411 5.903 ( -0.880 3.276 1.227) 3.607 5.953 ( -5.252 -5.623 -2.340) 8.042 6.011 ( -2.877 -2.885 -3.816) 5.582 6.370 ( -0.939 -0.747 -0.556) 1.323 6.508 ( -3.730 0.974 2.887) 4.816 6.689 ( -3.286 -2.669 -4.279) 6.019 6.715 ( -2.078 -3.077 -3.139) 4.862 7.081 ( 2.589 -0.674 1.234) 2.946 7.183 ( -0.606 0.210 0.597) 0.877 7.369 ( 6.471 1.885 5.372) 8.619 7.603 ( 4.719 -2.706 1.279) 5.588 7.844 ( 5.396 0.573 -1.707) 5.689 7.943 ( -1.444 -3.600 2.148) 4.433 8.089 ( 0.355 -0.845 -4.143) 4.243 8.233 ( 1.127 -2.533 3.016) 4.097 8.477 ( 3.193 -0.013 -2.227) 3.893 8.561 ( 0.944 1.615 -6.918) 7.166 8.736 ( -5.497 2.831 6.930) 9.288 8.830 ( -2.098 0.382 -0.406) 2.170 9.016 ( -2.505 -1.398 0.653) 2.942 9.239 ( -9.027 1.376 -2.342) 9.427 9.797 ( -0.174 -2.228 3.062) 3.790 9.991 ( 1.557 -1.697 2.438) 3.353 10.468 ( -4.235 2.002 -11.933) 12.820 10.561 ( 2.485 0.163 -10.996) 11.274 10.890 ( 1.276 1.692 6.744) 7.069 11.073 ( 2.557 -0.249 7.199) 7.644 11.740 ( -8.002 0.186 0.305) 8.010 12.004 ( 6.069 4.957 2.426) 8.203 12.149 ( -0.985 -2.105 6.386) 6.795 12.587 ( 0.215 -1.467 -2.679) 3.061 13.370 ( 1.370 -2.160 -1.459) 2.945 13.487 ( -1.234 1.913 -2.288) 3.227 14.158 ( -3.915 0.395 -2.043) 4.434 14.536 ( 3.105 -4.939 5.949) 8.332 15.836 ( -6.917 0.638 3.384) 7.727 15.984 ( -13.688 0.353 2.299) 13.884 18.536 ( -8.708 -3.520 11.355) 14.736 18.756 ( 10.485 -2.351 -19.294) 22.084 20.387 ( 5.442 5.457 18.742) 20.264 21.168 ( 3.192 0.899 -10.608) 11.114 21.854 ( 1.738 0.688 -1.577) 2.445 21.893 ( 0.409 -1.366 -0.875) 1.673 ======================= Grid point 244 (117/141) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -8.522 18.084 6.391) 20.988 2.246 ( -3.022 14.892 -12.574) 19.724 2.343 ( -19.126 20.267 0.292) 27.868 2.472 ( -19.126 5.986 -5.513) 20.785 3.264 ( 6.168 10.689 6.359) 13.883 3.523 ( -4.679 14.591 8.301) 17.427 3.686 ( -2.447 0.178 14.541) 14.746 3.727 ( -2.056 4.598 -3.428) 6.093 3.916 ( -3.962 0.369 -4.766) 6.209 4.153 ( 2.334 1.956 -12.580) 12.943 4.307 ( 4.003 1.670 0.750) 4.402 4.415 ( 2.674 4.210 7.524) 9.027 4.469 ( 2.628 -3.545 3.620) 5.707 4.700 ( -2.899 3.004 2.593) 4.914 4.862 ( 9.278 -2.207 0.514) 9.551 4.924 ( 2.064 -9.229 4.810) 10.610 5.137 ( 1.644 -2.163 -5.362) 6.011 5.340 ( 8.362 -4.979 1.122) 9.797 5.352 ( -5.387 1.050 1.570) 5.709 5.395 ( 2.443 -2.412 -0.403) 3.456 5.459 ( 4.038 -4.536 -5.004) 7.869 5.577 ( -2.802 -6.625 -5.065) 8.797 5.723 ( -2.028 1.800 3.428) 4.371 5.806 ( -8.009 0.978 4.431) 9.205 5.873 ( -5.445 -1.888 -7.701) 9.619 6.028 ( -0.667 -8.611 -10.554) 13.638 6.395 ( 3.126 -2.550 1.356) 4.256 6.478 ( -4.364 -3.771 6.112) 8.403 6.633 ( -3.788 -1.652 -3.500) 5.416 6.699 ( -1.457 -4.709 -5.237) 7.192 7.121 ( 0.481 -0.496 2.900) 2.981 7.176 ( -0.348 -0.734 -0.079) 0.816 7.538 ( 8.927 -2.912 3.734) 10.105 7.696 ( 4.356 -2.320 -1.804) 5.254 7.909 ( 1.326 0.633 4.580) 4.810 8.004 ( 3.684 -5.061 -2.902) 6.899 8.080 ( -0.660 -0.810 -1.516) 1.841 8.260 ( -3.905 -1.370 2.852) 5.026 8.438 ( -3.177 1.488 -3.257) 4.787 8.511 ( -2.455 -1.179 -3.903) 4.759 8.674 ( -1.786 0.341 9.246) 9.423 8.856 ( 5.014 2.969 -3.360) 6.726 9.003 ( -1.781 -1.216 2.312) 3.162 9.100 ( -4.570 2.153 -2.102) 5.472 9.831 ( 0.041 -0.827 4.618) 4.692 10.061 ( 2.239 -2.418 4.581) 5.643 10.274 ( -8.704 0.829 -13.713) 16.263 10.497 ( -2.271 0.464 -14.154) 14.342 10.967 ( 7.191 3.335 4.885) 9.311 11.122 ( -0.227 2.527 4.826) 5.452 11.672 ( -1.194 -0.654 3.897) 4.128 11.937 ( -6.420 5.311 -0.928) 8.383 12.239 ( 4.348 -2.233 9.079) 10.311 12.582 ( -1.390 -2.163 -4.150) 4.882 13.418 ( 1.673 -1.550 1.004) 2.492 13.475 ( 1.771 -1.849 -3.187) 4.088 14.198 ( 6.805 -2.730 6.038) 9.498 14.625 ( -2.381 -7.369 1.461) 7.880 15.693 ( -5.496 5.638 2.239) 8.186 15.829 ( -9.741 -0.257 2.917) 10.172 18.515 ( -7.479 -5.102 14.593) 17.173 18.845 ( 8.376 -4.873 -20.721) 22.875 20.507 ( 5.108 5.979 19.909) 21.405 21.132 ( 0.638 1.895 -13.115) 13.266 21.859 ( 0.558 1.211 -0.569) 1.450 21.894 ( -0.176 0.123 -2.242) 2.252 ======================= Grid point 245 (118/141) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 1.465 25.926 6.078) 26.669 1.925 ( -6.319 14.587 1.225) 15.944 2.028 ( 0.710 20.556 -7.334) 21.836 2.232 ( 3.546 2.713 -13.850) 14.552 3.268 ( -6.667 10.110 8.966) 15.068 3.348 ( 6.638 15.875 10.602) 20.210 3.641 ( -1.786 8.325 1.725) 8.687 3.737 ( 2.228 1.082 5.960) 6.454 3.831 ( -0.779 3.805 -1.528) 4.174 4.067 ( -1.675 1.309 -14.303) 14.461 4.334 ( 2.387 4.051 5.409) 7.167 4.428 ( 0.263 0.324 -2.652) 2.685 4.579 ( 5.510 0.935 3.454) 6.570 4.607 ( -5.720 4.474 4.316) 8.448 4.929 ( -5.115 -0.344 1.855) 5.452 5.021 ( 6.926 2.163 -3.542) 8.075 5.162 ( 2.010 0.080 7.129) 7.407 5.299 ( -4.545 -9.105 -1.049) 10.230 5.383 ( -4.545 3.795 -6.071) 8.481 5.403 ( 2.352 -1.948 -5.005) 5.863 5.608 ( 4.373 -8.911 2.859) 10.329 5.647 ( -1.626 -8.011 1.585) 8.327 5.694 ( -6.952 -0.738 8.393) 10.923 5.752 ( 2.431 1.260 -5.934) 6.536 5.864 ( 5.393 -9.986 -5.637) 12.671 6.032 ( -0.454 -8.634 -15.295) 17.569 6.487 ( -5.771 -6.798 8.088) 12.039 6.510 ( 1.198 -2.851 1.853) 3.605 6.589 ( 0.270 -1.589 1.206) 2.013 6.752 ( 6.240 -7.900 -9.117) 13.582 7.143 ( -0.821 -1.732 4.237) 4.650 7.182 ( -0.857 -1.803 0.297) 2.019 7.650 ( -0.098 -0.999 2.921) 3.088 7.743 ( -0.561 0.907 -4.004) 4.144 7.961 ( -0.898 -5.831 4.939) 7.694 8.042 ( -0.595 -0.719 -1.631) 1.879 8.125 ( 2.775 2.395 0.323) 3.680 8.144 ( -1.584 0.600 -2.024) 2.639 8.420 ( -1.418 -0.307 1.286) 1.939 8.479 ( 1.510 -1.256 -4.566) 4.970 8.731 ( 0.278 -0.876 9.043) 9.090 8.870 ( 1.900 0.996 -4.644) 5.115 8.995 ( -1.126 0.429 3.121) 3.345 9.047 ( 0.757 0.336 -1.863) 2.038 9.866 ( 1.701 1.466 7.140) 7.485 10.034 ( -6.246 1.378 -7.756) 10.053 10.198 ( 2.499 -3.043 4.276) 5.813 10.378 ( -4.792 -1.874 -11.473) 12.574 11.064 ( -3.094 4.152 0.544) 5.206 11.071 ( 8.138 3.996 -0.642) 9.089 11.723 ( 1.723 1.206 4.472) 4.942 11.787 ( -2.744 3.148 -1.457) 4.423 12.382 ( 3.664 -3.519 10.183) 11.380 12.543 ( -3.304 -2.569 -5.594) 6.987 13.451 ( -0.897 -2.194 2.607) 3.524 13.525 ( 1.382 -4.663 -4.130) 6.381 14.480 ( 15.505 -9.317 8.199) 19.861 14.596 ( -11.120 -8.819 -3.327) 14.578 15.643 ( 5.335 4.605 4.203) 8.206 15.695 ( -4.445 4.636 -0.457) 6.438 18.523 ( -8.509 -5.651 18.171) 20.845 18.923 ( 6.426 -7.228 -19.748) 21.989 20.615 ( 2.216 4.975 20.776) 21.478 21.015 ( -2.379 4.437 -16.792) 17.530 21.840 ( -1.425 1.635 0.708) 2.282 21.874 ( 0.968 1.733 -2.827) 3.454 ======================= Grid point 246 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.623 21.554 6.236) 22.590 1.748 ( 4.854 19.401 -12.685) 23.682 2.014 ( 16.222 10.236 14.878) 24.275 2.346 ( 21.644 8.175 -15.140) 27.650 3.137 ( 0.580 5.300 6.320) 8.268 3.355 ( 3.529 15.055 10.115) 18.477 3.520 ( -0.355 12.767 -5.485) 13.899 3.751 ( 6.756 9.938 -3.920) 12.640 3.820 ( -2.422 -0.638 7.971) 8.356 3.999 ( 2.949 0.509 -4.823) 5.676 4.373 ( -0.508 0.398 -2.805) 2.879 4.406 ( 2.681 0.211 1.159) 2.929 4.486 ( -2.132 2.091 1.470) 3.328 4.698 ( 7.150 0.481 0.665) 7.197 4.845 ( -4.473 2.581 -0.058) 5.165 5.054 ( 5.379 7.984 -4.053) 10.445 5.159 ( -7.733 0.166 3.826) 8.630 5.248 ( -2.868 0.804 1.217) 3.218 5.341 ( -1.480 -7.593 0.411) 7.746 5.445 ( 2.018 -2.040 -3.710) 4.690 5.592 ( -8.070 -4.035 -1.546) 9.154 5.668 ( -4.045 -6.088 2.898) 7.863 5.754 ( 0.109 -6.409 2.681) 6.948 5.856 ( 4.449 -9.905 4.432) 11.728 5.969 ( 1.305 -6.706 -11.084) 13.020 6.142 ( 8.856 -9.392 -5.721) 14.120 6.453 ( -6.894 -2.411 -0.891) 7.358 6.500 ( -3.907 -3.811 7.661) 9.406 6.674 ( 3.930 0.200 2.265) 4.540 6.946 ( 9.787 -10.255 -11.170) 18.048 7.150 ( -3.278 -0.908 2.983) 4.524 7.211 ( 1.458 -4.058 2.147) 4.817 7.607 ( -6.415 0.645 2.518) 6.922 7.652 ( -5.546 0.549 -2.001) 5.922 7.889 ( -8.725 0.816 1.892) 8.965 7.966 ( -7.574 3.473 -0.452) 8.344 8.147 ( 7.294 -1.422 0.179) 7.434 8.338 ( 13.609 -0.033 0.386) 13.615 8.372 ( -3.173 1.271 0.543) 3.460 8.519 ( 1.964 -0.304 -2.304) 3.043 8.682 ( -8.637 1.965 4.634) 9.997 8.889 ( 2.003 -2.818 -5.321) 6.346 9.024 ( 4.740 0.328 1.809) 5.084 9.079 ( 3.467 -1.102 -1.940) 4.123 9.909 ( -0.537 4.727 4.245) 6.376 9.948 ( 2.089 -0.810 0.694) 2.346 10.259 ( -3.349 -4.080 -1.712) 5.549 10.339 ( 2.241 -3.883 1.819) 4.838 10.970 ( -1.894 3.987 -2.606) 5.126 11.133 ( 5.003 3.676 -3.466) 7.110 11.673 ( -2.369 1.717 1.837) 3.455 11.841 ( 7.386 2.707 0.579) 7.887 12.459 ( -4.570 -3.681 -3.410) 6.787 12.529 ( 1.972 -3.606 4.701) 6.245 13.459 ( -3.036 -2.979 3.520) 5.521 13.530 ( -4.145 -3.578 -5.223) 7.567 14.436 ( -13.799 -6.920 -6.253) 16.655 14.839 ( 9.038 -12.740 -0.171) 15.621 15.606 ( 3.230 8.460 -2.588) 9.418 15.893 ( 23.657 -7.111 3.032) 24.888 18.511 ( -12.113 -5.281 21.052) 24.856 19.012 ( 5.548 -9.316 -15.191) 18.664 20.574 ( -12.094 9.128 6.789) 16.603 20.894 ( 4.003 4.092 -5.423) 7.885 21.795 ( -1.688 2.360 0.522) 2.949 21.870 ( 1.936 2.202 -1.016) 3.104 ======================= Grid point 247 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 4.524 11.575 -11.373) 16.846 1.743 ( 12.037 6.696 10.674) 17.426 2.328 ( 21.980 8.073 15.569) 28.119 2.491 ( 16.632 14.347 -8.351) 23.499 3.182 ( -5.346 9.267 -13.056) 16.880 3.311 ( 14.193 2.567 -7.187) 16.115 3.414 ( 9.721 9.672 9.922) 16.926 3.757 ( 8.441 11.845 3.416) 14.941 3.864 ( 4.812 0.627 0.553) 4.884 4.054 ( 0.741 -2.264 1.287) 2.708 4.305 ( 0.549 4.473 -8.370) 9.506 4.489 ( 6.544 -1.039 1.080) 6.714 4.559 ( 6.275 -1.526 1.783) 6.700 4.685 ( -6.026 3.050 1.135) 6.848 4.842 ( 6.596 1.070 0.285) 6.688 4.964 ( -4.078 4.248 -6.416) 8.708 5.087 ( -1.680 0.155 4.122) 4.453 5.258 ( 0.644 0.705 6.314) 6.386 5.389 ( -1.519 -5.539 -1.117) 5.851 5.461 ( -1.513 -3.436 0.242) 3.763 5.511 ( -4.050 -2.172 -2.635) 5.298 5.665 ( -5.341 -5.617 4.362) 8.894 5.800 ( -2.414 -7.239 0.364) 7.640 5.992 ( 4.273 1.456 -6.276) 7.730 6.098 ( 1.768 -20.067 8.447) 21.844 6.302 ( 2.501 -5.082 -4.994) 7.551 6.368 ( -5.455 -2.831 -1.580) 6.346 6.531 ( 1.279 -0.748 5.987) 6.168 6.721 ( 1.732 0.160 1.320) 2.183 7.017 ( -4.938 -2.972 -5.551) 8.002 7.148 ( 1.814 -0.138 -0.981) 2.067 7.263 ( 0.090 0.260 -2.653) 2.667 7.520 ( -8.538 1.346 6.162) 10.616 7.558 ( -1.790 -4.013 -4.846) 6.541 7.755 ( -7.557 1.708 3.566) 8.529 7.859 ( -2.451 -1.457 -1.116) 3.062 8.249 ( 5.313 1.711 -0.183) 5.585 8.265 ( -4.971 7.562 0.958) 9.101 8.418 ( -5.778 -0.455 -1.748) 6.054 8.505 ( -3.804 -0.103 -1.790) 4.205 8.616 ( 0.815 -1.132 4.405) 4.621 8.972 ( 9.805 -1.676 -4.584) 10.953 9.130 ( 5.726 -0.165 -1.664) 5.965 9.176 ( 9.841 -2.594 -1.377) 10.270 9.845 ( -3.068 5.967 4.693) 8.188 10.006 ( 1.332 -1.002 1.884) 2.516 10.249 ( -1.258 -5.047 -3.166) 6.089 10.438 ( 2.083 -2.020 7.585) 8.121 10.928 ( 2.272 1.364 -3.034) 4.028 11.132 ( 1.249 2.221 -3.605) 4.415 11.637 ( -2.002 2.406 2.840) 4.226 11.940 ( 7.873 1.758 -2.763) 8.527 12.382 ( -5.777 -3.526 -4.433) 8.090 12.615 ( 1.201 -3.349 3.513) 5.000 13.399 ( -8.174 0.053 -4.949) 9.556 13.461 ( -3.966 -2.865 3.373) 5.942 14.291 ( -6.676 -3.417 -6.178) 9.717 14.967 ( -0.197 -6.679 -8.758) 11.016 15.607 ( 8.875 9.728 -2.127) 13.339 16.499 ( 29.347 -25.052 -7.125) 39.238 18.427 ( -16.840 -3.331 21.824) 27.766 19.149 ( 5.140 -12.254 -7.011) 15.025 20.180 ( -16.948 18.349 -5.705) 25.622 20.960 ( 4.034 0.676 6.265) 7.482 21.754 ( -0.696 2.548 0.654) 2.722 21.877 ( 1.973 2.748 0.271) 3.394 ======================= Grid point 252 (121/141) ======================= q-point: ( 0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -13.864 -0.000 5.927) 15.078 2.681 ( -8.712 -0.000 -2.239) 8.995 2.922 ( -21.876 -0.000 3.384) 22.136 2.997 ( -22.109 -0.000 3.769) 22.428 3.456 ( -0.581 -0.000 11.724) 11.738 3.654 ( 7.284 0.000 -8.849) 11.461 3.763 ( -8.778 -0.000 3.874) 9.595 3.785 ( 1.007 0.000 -4.115) 4.237 4.074 ( -5.596 -0.000 -3.075) 6.385 4.137 ( 11.806 0.000 0.426) 11.814 4.263 ( 6.879 0.000 -9.858) 12.021 4.264 ( 10.947 0.000 6.552) 12.758 4.369 ( 1.860 0.000 5.722) 6.016 4.619 ( 3.145 0.000 0.372) 3.167 4.728 ( 3.596 0.000 1.760) 4.004 4.779 ( 1.216 0.000 -7.475) 7.573 4.978 ( -4.014 -0.000 -3.059) 5.047 4.986 ( 9.383 0.000 2.656) 9.752 5.145 ( -0.815 -0.000 8.456) 8.495 5.419 ( 2.196 0.000 -7.728) 8.034 5.620 ( -6.590 -0.000 3.224) 7.336 5.700 ( -3.527 -0.000 0.889) 3.638 5.739 ( -5.930 -0.000 -3.694) 6.986 5.871 ( -5.155 -0.000 -1.556) 5.385 5.952 ( 0.420 0.000 4.722) 4.741 6.015 ( -5.643 -0.000 -3.720) 6.758 6.350 ( -3.798 -0.000 2.962) 4.816 6.562 ( 1.357 0.000 -6.314) 6.459 6.631 ( -5.199 -0.000 -2.942) 5.973 6.677 ( -4.450 -0.000 -0.601) 4.490 7.077 ( 3.284 0.000 -0.991) 3.430 7.185 ( 0.613 0.000 0.047) 0.615 7.425 ( 0.446 0.000 7.425) 7.438 7.540 ( 4.262 0.000 4.813) 6.428 7.828 ( 4.759 0.000 -8.687) 9.905 7.922 ( -0.292 -0.000 2.877) 2.892 8.086 ( 0.105 0.000 -0.160) 0.191 8.204 ( 1.384 0.000 2.346) 2.724 8.475 ( 4.092 0.000 -2.501) 4.796 8.579 ( 0.708 0.000 -8.559) 8.588 8.767 ( -14.234 -0.000 7.379) 16.033 8.832 ( 5.475 0.000 -0.572) 5.505 9.001 ( -1.949 -0.000 -0.007) 1.949 9.254 ( -8.150 -0.000 -2.800) 8.618 9.773 ( 0.542 0.000 2.976) 3.025 9.974 ( 1.480 0.000 2.662) 3.046 10.482 ( -8.318 -0.000 -9.076) 12.311 10.566 ( 5.491 0.000 -13.976) 15.016 10.910 ( 2.323 0.000 7.437) 7.792 11.068 ( 3.330 0.000 8.337) 8.977 11.742 ( -8.984 -0.000 0.528) 8.999 12.061 ( 9.304 0.000 2.774) 9.709 12.123 ( -3.208 -0.000 5.326) 6.217 12.571 ( 0.045 0.000 -3.028) 3.028 13.347 ( 1.152 0.000 -0.983) 1.514 13.509 ( -1.966 -0.000 -1.707) 2.603 14.164 ( -5.350 -0.000 -3.875) 6.606 14.483 ( 3.311 0.000 4.990) 5.989 15.834 ( -4.073 -0.000 5.880) 7.153 15.998 ( -14.463 -0.000 -0.547) 14.473 18.501 ( -8.703 -0.000 10.572) 13.694 18.735 ( 9.710 0.000 -18.270) 20.690 20.441 ( 4.407 0.000 19.450) 19.943 21.179 ( 3.677 0.000 -11.228) 11.814 21.866 ( 0.659 0.000 0.283) 0.717 21.872 ( 2.301 0.000 -2.305) 3.257 ======================= Grid point 254 (122/141) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -14.130 3.782 2.820) 14.897 2.394 ( -18.484 1.945 -4.704) 19.172 2.673 ( -7.402 11.519 1.107) 13.738 2.715 ( -9.279 10.084 3.729) 14.201 3.448 ( -2.077 7.981 6.493) 10.496 3.649 ( -1.086 0.247 9.018) 9.086 3.697 ( -0.860 -0.563 -4.804) 4.912 3.774 ( -1.090 -0.477 -2.398) 2.677 3.945 ( -6.007 2.498 -2.741) 7.060 4.190 ( -0.819 0.737 -14.254) 14.297 4.324 ( 11.088 0.838 -0.872) 11.154 4.423 ( 5.159 0.722 5.196) 7.357 4.475 ( 2.423 0.569 4.921) 5.515 4.701 ( -1.128 -2.321 2.304) 3.460 4.770 ( -1.249 -3.984 6.631) 7.836 4.847 ( 10.231 -0.767 -2.771) 10.628 5.070 ( 11.063 -1.525 -0.959) 11.209 5.199 ( 10.700 -6.616 5.138) 13.589 5.257 ( 7.360 -3.805 6.034) 10.249 5.426 ( 2.307 0.541 -5.956) 6.410 5.495 ( -9.422 4.592 2.521) 10.780 5.565 ( -4.433 4.121 -3.286) 6.887 5.676 ( -7.737 -4.895 1.946) 9.360 5.795 ( -6.353 -4.404 -4.707) 9.050 5.908 ( -4.427 4.224 0.899) 6.184 5.939 ( -0.793 -0.872 -4.548) 4.698 6.313 ( -4.068 -2.564 5.199) 7.082 6.511 ( -0.109 3.648 -2.117) 4.219 6.581 ( -6.403 -3.591 1.339) 7.462 6.602 ( -0.650 -3.604 -12.161) 12.700 7.117 ( 1.775 0.115 0.425) 1.828 7.179 ( -0.580 0.426 -0.809) 1.083 7.495 ( 5.533 -0.865 5.000) 7.508 7.617 ( -0.195 -4.123 3.671) 5.524 7.904 ( 7.266 -2.921 -8.217) 11.351 7.931 ( -0.916 0.951 3.427) 3.673 8.086 ( 0.377 0.366 1.723) 1.801 8.236 ( -1.032 -0.797 3.568) 3.798 8.467 ( -4.417 1.274 -6.039) 7.590 8.490 ( -2.392 -0.917 -3.973) 4.727 8.686 ( -1.076 0.533 7.488) 7.584 8.891 ( 3.306 0.740 -2.520) 4.222 8.983 ( -1.079 -0.611 1.691) 2.098 9.132 ( -5.196 0.930 -3.326) 6.239 9.821 ( 2.694 -0.246 4.525) 5.272 10.027 ( 2.081 -0.872 5.616) 6.052 10.278 ( -9.945 -0.076 -11.114) 14.914 10.511 ( -2.149 0.550 -16.550) 16.698 11.016 ( 7.111 1.408 5.273) 8.964 11.157 ( 1.632 0.979 6.204) 6.490 11.662 ( -1.353 -0.298 5.345) 5.522 12.015 ( -9.405 2.168 0.735) 9.679 12.215 ( 6.937 -0.390 5.082) 8.608 12.548 ( -1.665 -1.051 -4.592) 4.996 13.380 ( 1.738 -1.329 0.389) 2.222 13.471 ( -0.949 0.311 -2.587) 2.773 14.163 ( 4.830 -0.876 3.898) 6.268 14.521 ( -2.076 -2.847 0.017) 3.524 15.770 ( -5.407 2.043 4.394) 7.261 15.830 ( -6.433 0.110 0.188) 6.436 18.451 ( -5.811 -1.564 12.440) 13.819 18.781 ( 6.717 -1.621 -19.126) 20.336 20.586 ( 3.195 2.049 20.434) 20.783 21.160 ( 1.572 0.847 -13.065) 13.186 21.872 ( 0.103 0.281 0.282) 0.411 21.892 ( 1.189 -0.150 -2.333) 2.622 ======================= Grid point 255 (123/141) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 1.422 6.857 5.344) 8.809 2.178 ( -0.047 1.818 -8.402) 8.597 2.425 ( -2.610 20.824 2.203) 21.102 2.497 ( 1.882 22.721 -4.392) 23.218 3.394 ( -4.449 2.749 11.335) 12.483 3.597 ( 0.081 8.200 -3.053) 8.751 3.730 ( -1.039 0.118 12.423) 12.467 3.766 ( 3.870 2.104 -1.163) 4.556 3.868 ( -0.304 0.189 -1.922) 1.955 4.094 ( -1.045 0.963 -14.996) 15.063 4.417 ( 2.994 3.458 -0.012) 4.574 4.435 ( -1.980 1.786 -1.278) 2.957 4.580 ( 5.987 -1.190 7.130) 9.386 4.677 ( -2.331 0.565 0.227) 2.410 4.821 ( -4.733 -6.452 7.731) 11.127 4.999 ( 5.503 -5.036 -5.908) 9.516 5.187 ( 1.097 2.686 5.386) 6.118 5.231 ( -8.144 4.812 2.733) 9.847 5.372 ( -0.746 -1.834 1.637) 2.569 5.448 ( -1.986 0.500 -1.107) 2.328 5.495 ( 7.526 -0.446 2.910) 8.081 5.525 ( 2.896 -4.934 -0.112) 5.722 5.635 ( -6.223 -7.087 -1.954) 9.631 5.706 ( 0.630 -4.339 -4.346) 6.174 5.817 ( 0.571 3.111 -4.571) 5.559 5.946 ( 4.165 0.115 -8.365) 9.346 6.342 ( -2.505 -6.434 9.479) 11.726 6.491 ( -2.721 -0.557 2.675) 3.856 6.538 ( 0.401 -4.018 -5.711) 6.995 6.611 ( 3.489 -4.509 -8.591) 10.311 7.132 ( -0.617 0.297 2.443) 2.537 7.162 ( -0.818 -0.266 -0.490) 0.990 7.606 ( -0.987 -2.789 4.089) 5.047 7.693 ( 4.601 -6.678 -2.007) 8.354 7.879 ( -6.355 -0.532 4.498) 7.804 7.999 ( 3.540 -2.553 -5.041) 6.668 8.143 ( 7.306 0.182 1.333) 7.428 8.173 ( -6.206 1.590 0.196) 6.410 8.414 ( -1.872 0.121 -0.630) 1.979 8.455 ( 1.482 -1.161 -4.616) 4.985 8.732 ( 1.183 0.581 9.061) 9.156 8.894 ( 0.019 1.060 -5.273) 5.379 8.997 ( 0.871 -0.154 2.646) 2.790 9.044 ( -2.546 -0.489 -2.715) 3.754 9.898 ( 4.165 1.550 7.244) 8.499 10.038 ( -6.612 -0.597 -2.703) 7.168 10.161 ( 2.050 -0.846 2.082) 3.042 10.361 ( -6.214 -0.076 -13.582) 14.936 11.133 ( 4.470 2.590 0.381) 5.180 11.140 ( 0.931 2.726 0.156) 2.885 11.747 ( 5.886 1.179 7.137) 9.326 11.840 ( -7.374 1.940 -1.083) 7.702 12.339 ( 3.959 -0.839 7.965) 8.934 12.493 ( -3.827 -2.318 -6.364) 7.780 13.415 ( -0.046 -1.521 1.068) 1.859 13.458 ( 0.214 -1.994 -2.832) 3.471 14.349 ( 10.881 -4.275 6.924) 13.587 14.464 ( -8.586 -4.615 -4.023) 10.545 15.716 ( 0.315 2.711 3.939) 4.792 15.768 ( 0.339 2.647 -0.859) 2.803 18.451 ( -5.157 -2.065 14.664) 15.681 18.809 ( 5.132 -4.183 -19.260) 20.366 20.695 ( 0.897 2.958 20.916) 21.143 21.080 ( -1.269 2.279 -15.419) 15.638 21.862 ( -1.159 0.738 0.837) 1.609 21.893 ( 0.740 0.356 -2.255) 2.400 ======================= Grid point 256 (124/141) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.598 24.204 3.787) 24.761 2.124 ( 13.146 12.114 -2.980) 18.123 2.303 ( 8.104 23.957 0.338) 25.293 2.466 ( 25.310 5.203 -5.500) 26.418 3.276 ( -6.568 7.838 5.340) 11.536 3.586 ( 2.614 7.284 6.558) 10.144 3.715 ( 4.061 4.803 0.307) 6.297 3.831 ( 1.357 4.814 4.230) 6.550 3.884 ( 2.435 1.777 0.843) 3.130 4.003 ( -0.051 -0.121 -11.430) 11.431 4.365 ( -4.239 -1.178 -3.187) 5.433 4.412 ( 0.729 1.199 3.454) 3.728 4.580 ( -4.258 7.161 0.127) 8.332 4.695 ( 2.459 -0.933 2.330) 3.514 4.809 ( -4.067 -6.073 2.961) 7.886 5.044 ( -8.400 -10.199 -4.912) 14.096 5.128 ( 1.697 -1.982 -3.676) 4.508 5.202 ( -4.097 0.536 10.052) 10.868 5.335 ( -5.999 0.567 1.179) 6.140 5.410 ( 3.272 0.048 -0.005) 3.272 5.515 ( -8.770 -5.009 -1.307) 10.184 5.554 ( -0.933 -3.669 -6.103) 7.182 5.641 ( 3.231 -1.700 7.542) 8.379 5.804 ( 2.429 2.732 -2.659) 4.520 5.897 ( 10.329 -4.907 -5.185) 12.556 6.017 ( 10.569 -1.128 -8.065) 13.342 6.391 ( -3.823 -3.468 2.099) 5.572 6.453 ( -2.453 -1.710 6.636) 7.279 6.644 ( 6.101 -4.350 -1.151) 7.581 6.726 ( 7.350 -9.915 -8.531) 15.003 7.129 ( -1.323 -0.857 4.475) 4.744 7.152 ( -1.303 -1.465 -0.104) 1.964 7.582 ( -6.255 -2.735 1.560) 7.003 7.689 ( -5.194 2.690 -3.540) 6.837 7.871 ( -4.481 -3.634 5.691) 8.104 8.040 ( -4.903 3.065 -2.494) 6.297 8.067 ( 3.653 -4.146 -1.121) 5.639 8.311 ( 8.746 -1.884 -1.325) 9.044 8.376 ( -0.470 -0.649 1.676) 1.858 8.495 ( 1.866 -1.172 -2.297) 3.183 8.743 ( -4.244 2.774 6.734) 8.429 8.850 ( 1.016 -0.781 -6.588) 6.712 9.023 ( 1.903 -1.131 0.833) 2.365 9.065 ( 3.834 0.130 0.637) 3.888 9.926 ( -2.616 -0.901 -3.187) 4.220 10.002 ( 4.508 3.921 9.004) 10.806 10.202 ( -4.841 -1.742 -4.739) 6.995 10.272 ( 2.479 -2.747 4.545) 5.861 11.054 ( -2.084 4.182 -3.317) 5.730 11.202 ( 4.161 3.043 -3.550) 6.259 11.706 ( -2.964 1.622 1.240) 3.599 11.902 ( 8.546 3.201 2.662) 9.506 12.389 ( -4.713 -3.131 -2.626) 6.238 12.466 ( 1.263 -2.745 4.007) 5.019 13.416 ( -1.750 -1.344 1.416) 2.622 13.470 ( -1.370 -2.545 -2.904) 4.097 14.324 ( -10.176 -4.468 -5.563) 12.428 14.613 ( 9.358 -9.399 2.948) 13.587 15.739 ( 4.872 4.740 -1.359) 6.932 15.835 ( 11.316 -0.027 2.535) 11.597 18.449 ( -7.100 -1.537 16.501) 18.029 18.853 ( 5.026 -6.659 -17.495) 19.382 20.719 ( -6.347 5.844 14.954) 17.264 20.957 ( -0.255 2.300 -11.786) 12.011 21.831 ( -1.834 1.382 0.973) 2.494 21.894 ( 0.937 0.314 -1.262) 1.603 ======================= Grid point 257 (125/141) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.060 28.521 0.415) 28.812 2.046 ( 7.568 21.879 -0.031) 23.151 2.488 ( 22.783 9.176 8.537) 26.003 2.794 ( 22.528 14.517 -4.140) 27.118 3.233 ( 8.347 -1.246 -1.764) 8.622 3.494 ( -6.240 14.487 -5.842) 16.821 3.619 ( -0.731 10.938 3.337) 11.459 3.850 ( 5.594 -1.820 2.004) 6.214 3.925 ( 4.893 3.953 1.176) 6.400 4.015 ( 0.881 -2.064 -0.551) 2.310 4.343 ( 0.536 -2.044 -3.715) 4.274 4.464 ( 3.037 -1.410 1.037) 3.505 4.514 ( 3.209 -0.559 -0.961) 3.396 4.693 ( -2.805 -1.865 -1.506) 3.690 4.869 ( 2.267 -0.593 2.355) 3.322 4.918 ( -11.369 -7.040 -4.038) 13.969 5.142 ( -3.598 0.718 2.550) 4.468 5.197 ( -4.194 -7.980 1.488) 9.137 5.286 ( 0.340 -0.377 0.509) 0.719 5.426 ( 1.174 0.648 -0.141) 1.348 5.502 ( 0.389 -3.910 0.416) 3.951 5.560 ( -1.943 -4.782 -1.188) 5.297 5.729 ( -0.952 -1.330 8.930) 9.078 5.804 ( 2.369 -2.302 0.346) 3.321 6.040 ( 8.886 1.789 -3.125) 9.588 6.177 ( 6.208 -6.703 -6.102) 10.987 6.336 ( -3.385 -0.651 -2.699) 4.378 6.519 ( 3.659 -0.518 7.321) 8.201 6.723 ( 1.259 -0.632 0.258) 1.432 6.900 ( 3.915 -9.562 -8.996) 13.700 7.127 ( -1.000 -0.586 1.422) 1.835 7.211 ( 4.149 -6.361 1.168) 7.684 7.469 ( -9.009 -0.245 -3.895) 9.819 7.567 ( -5.945 1.324 0.867) 6.152 7.804 ( -5.966 1.710 4.915) 7.917 7.891 ( -6.857 4.552 0.567) 8.250 8.193 ( 3.174 -6.427 -1.890) 7.413 8.326 ( -2.360 -1.042 -1.206) 2.848 8.438 ( -0.964 1.607 -0.130) 1.879 8.484 ( -4.667 -1.650 -0.065) 4.950 8.650 ( -4.097 4.028 5.377) 7.869 8.930 ( 12.188 -1.833 -6.071) 13.739 9.092 ( 2.895 -3.365 -1.872) 4.818 9.168 ( 10.300 1.074 1.992) 10.546 9.905 ( -0.316 -0.892 -2.574) 2.743 10.025 ( -2.487 3.078 6.784) 7.853 10.173 ( 0.783 -1.952 0.603) 2.188 10.392 ( 3.690 -2.651 8.946) 10.033 10.975 ( 0.123 3.325 -5.310) 6.267 11.179 ( -0.385 2.306 -4.768) 5.311 11.685 ( -0.653 2.213 3.066) 3.837 11.990 ( 6.737 3.363 -2.074) 7.810 12.315 ( -4.963 -3.406 -5.633) 8.244 12.544 ( 0.810 -3.511 5.800) 6.828 13.406 ( -3.606 -2.413 0.289) 4.348 13.415 ( -2.950 1.435 -1.093) 3.458 14.223 ( -4.001 -3.374 -3.941) 6.552 14.806 ( 3.134 -9.389 -5.991) 11.570 15.779 ( 9.007 7.495 -2.122) 11.908 16.138 ( 17.417 -11.700 1.204) 21.016 18.401 ( -10.172 -0.022 16.794) 19.635 18.939 ( 5.598 -8.879 -13.050) 16.747 20.479 ( -13.457 12.782 -2.228) 18.693 20.961 ( 1.996 -0.640 3.566) 4.136 21.794 ( -1.416 1.541 1.029) 2.333 21.906 ( 1.255 0.203 -0.201) 1.287 ======================= Grid point 258 (126/141) ======================= q-point: (-0.10 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.561 21.615 -1.270) 22.355 2.082 ( 13.003 10.386 10.206) 19.522 2.733 ( 13.235 9.745 0.857) 16.458 2.882 ( 13.747 14.257 5.141) 20.462 3.034 ( -14.880 11.119 -12.062) 22.148 3.557 ( 11.464 2.975 -2.294) 12.064 3.647 ( 10.524 -1.490 -3.024) 11.051 3.929 ( 1.286 -1.422 -8.180) 8.402 3.951 ( 2.188 3.469 3.553) 5.427 4.096 ( 10.123 1.604 7.621) 12.772 4.330 ( -0.676 0.154 -5.082) 5.129 4.534 ( 1.030 -3.541 -1.755) 4.084 4.591 ( 1.390 -0.323 -6.148) 6.311 4.706 ( 3.368 -3.365 6.921) 8.400 4.793 ( -0.739 0.833 -3.030) 3.228 4.940 ( 0.271 -5.477 -1.941) 5.817 5.100 ( -0.823 2.191 1.597) 2.834 5.196 ( -3.728 -8.027 0.246) 8.854 5.352 ( 5.486 1.442 2.151) 6.067 5.472 ( 2.116 -0.759 3.551) 4.202 5.523 ( -2.340 -2.067 5.030) 5.920 5.583 ( 1.822 0.171 -0.430) 1.880 5.711 ( -2.044 -2.106 1.491) 3.292 5.967 ( 1.429 -14.386 7.897) 16.473 6.127 ( 6.074 3.370 2.560) 7.403 6.253 ( -0.867 -5.220 -3.357) 6.267 6.281 ( -1.342 0.553 -5.205) 5.403 6.602 ( 2.426 1.764 1.115) 3.201 6.724 ( -1.733 -0.043 1.499) 2.292 6.915 ( -1.643 -0.678 -4.185) 4.547 7.133 ( -1.397 -1.610 -1.786) 2.782 7.259 ( -3.945 4.549 -5.758) 8.332 7.407 ( -3.154 -6.857 5.326) 9.238 7.489 ( 2.248 -3.974 -5.908) 7.466 7.703 ( -7.779 6.331 8.294) 13.015 7.807 ( 0.597 -3.310 -2.193) 4.015 8.226 ( -5.780 -2.838 -1.687) 6.656 8.265 ( -4.115 2.000 0.150) 4.577 8.348 ( -1.700 3.227 1.626) 3.993 8.399 ( -6.529 0.426 -0.829) 6.595 8.602 ( -2.715 -0.951 1.444) 3.219 9.097 ( 2.801 -0.938 -2.154) 3.655 9.205 ( 12.980 -2.559 -3.945) 13.806 9.367 ( 12.810 -0.247 1.245) 12.872 9.874 ( -1.439 4.342 0.571) 4.609 9.989 ( -2.588 -1.197 2.521) 3.807 10.213 ( 0.622 -1.576 1.716) 2.412 10.501 ( 2.279 -0.668 8.440) 8.768 10.965 ( 3.160 -0.442 -2.900) 4.312 11.129 ( -0.648 0.881 -3.903) 4.053 11.622 ( -5.963 2.833 3.185) 7.330 12.021 ( 3.101 2.947 -10.752) 11.572 12.264 ( -2.777 -3.450 -0.175) 4.432 12.610 ( 0.528 -3.219 3.097) 4.498 13.345 ( 0.363 2.763 1.885) 3.364 13.405 ( -1.729 -1.357 2.512) 3.337 14.205 ( -0.054 -0.740 -2.218) 2.338 14.838 ( -1.578 -5.811 -13.719) 14.983 15.850 ( 10.267 8.849 -0.449) 13.561 16.568 ( 13.388 -22.773 -2.541) 26.539 18.292 ( -10.680 2.266 13.692) 17.512 19.078 ( 4.976 -10.941 -6.298) 13.570 20.090 ( -13.414 16.780 -4.600) 21.970 21.023 ( 1.491 -1.323 5.074) 5.451 21.769 ( -0.330 1.421 0.699) 1.617 21.922 ( 1.044 0.838 0.605) 1.469 ======================= Grid point 264 (127/141) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 4.961 -0.000 1.534) 5.193 2.174 ( -3.294 0.000 -5.101) 6.072 2.681 ( -2.705 -0.000 5.820) 6.418 2.754 ( 3.696 -0.000 -0.431) 3.721 3.414 ( -8.061 -0.000 10.426) 13.179 3.652 ( -0.017 -0.000 -8.274) 8.274 3.715 ( 2.750 -0.000 11.239) 11.570 3.789 ( 4.363 -0.000 -4.919) 6.575 3.865 ( -3.812 -0.000 0.772) 3.889 4.097 ( -1.582 -0.000 -14.934) 15.017 4.465 ( -4.744 -0.000 -0.287) 4.752 4.475 ( 7.070 0.000 -0.085) 7.071 4.551 ( 6.660 -0.000 2.969) 7.292 4.623 ( -5.789 -0.000 -3.201) 6.615 4.797 ( 0.111 -0.000 11.616) 11.616 4.936 ( 4.253 -0.000 -2.312) 4.841 5.238 ( -7.668 0.000 9.042) 11.855 5.311 ( -6.849 -0.000 4.209) 8.039 5.351 ( 12.126 0.000 3.528) 12.629 5.439 ( 0.688 -0.000 -3.562) 3.628 5.468 ( 0.958 -0.000 5.502) 5.584 5.513 ( -1.979 -0.000 -2.384) 3.098 5.527 ( 2.656 0.000 -5.290) 5.919 5.651 ( -3.031 -0.000 -7.646) 8.225 5.865 ( -2.790 -0.000 0.025) 2.790 5.962 ( 6.668 -0.000 -3.876) 7.713 6.279 ( -1.592 -0.000 6.066) 6.271 6.425 ( -8.457 -0.000 4.364) 9.517 6.534 ( 3.513 -0.000 -12.928) 13.397 6.574 ( 3.298 -0.000 -3.453) 4.775 7.138 ( 0.099 -0.000 1.380) 1.383 7.162 ( -1.414 -0.000 -0.725) 1.589 7.588 ( -1.936 -0.000 2.709) 3.330 7.588 ( 5.171 0.000 2.293) 5.656 7.885 ( -6.626 -0.000 1.428) 6.778 7.971 ( 5.622 -0.000 -5.835) 8.102 8.145 ( 6.165 -0.000 2.955) 6.837 8.189 ( -5.102 -0.000 0.927) 5.186 8.421 ( -4.499 -0.000 -1.955) 4.906 8.438 ( 3.720 -0.000 -4.708) 6.001 8.740 ( 1.110 -0.000 8.822) 8.892 8.905 ( -0.035 -0.000 -5.143) 5.143 8.995 ( 2.174 -0.000 2.465) 3.287 9.038 ( -4.558 -0.000 -3.311) 5.634 9.915 ( 5.626 -0.000 6.614) 8.683 10.029 ( -6.977 -0.000 0.064) 6.978 10.155 ( 1.763 -0.000 1.128) 2.093 10.363 ( -6.798 -0.000 -14.283) 15.818 11.159 ( 7.727 -0.000 0.424) 7.738 11.168 ( -2.258 -0.000 0.417) 2.296 11.761 ( 8.430 -0.000 8.409) 11.907 11.858 ( -10.215 -0.000 -0.183) 10.217 12.336 ( 4.809 -0.000 5.709) 7.465 12.466 ( -4.587 -0.000 -6.322) 7.811 13.398 ( 1.101 -0.000 1.125) 1.574 13.441 ( -1.124 -0.000 -2.877) 3.088 14.308 ( 9.451 -0.000 6.223) 11.316 14.418 ( -7.608 -0.000 -4.168) 8.675 15.743 ( -1.184 -0.000 3.838) 4.016 15.794 ( 1.821 -0.000 -1.009) 2.082 18.432 ( -3.841 -0.000 13.252) 13.797 18.767 ( 4.373 -0.000 -18.549) 19.058 20.724 ( 0.657 -0.000 20.731) 20.741 21.103 ( -1.086 -0.000 -14.977) 15.017 21.870 ( -0.823 -0.000 0.730) 1.100 21.895 ( 0.407 -0.000 -1.865) 1.909 ======================= Grid point 266 (128/141) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 17.565 4.293 -3.158) 18.356 2.341 ( 18.809 1.628 -0.537) 18.887 2.657 ( 8.206 13.263 3.075) 15.897 2.766 ( 9.142 15.924 -1.639) 18.435 3.371 ( -4.984 0.965 10.784) 11.919 3.639 ( 1.945 -0.500 0.129) 2.012 3.777 ( 1.264 2.387 -0.332) 2.721 3.824 ( 1.843 -2.575 -2.818) 4.239 3.892 ( 2.226 -2.210 9.132) 9.656 4.030 ( 2.542 1.990 -11.625) 12.065 4.355 ( -6.980 0.125 -2.453) 7.400 4.458 ( -4.874 3.917 0.631) 6.285 4.580 ( -3.452 -7.168 -4.258) 9.024 4.667 ( 3.449 -3.829 2.454) 5.708 4.778 ( -6.615 6.579 5.066) 10.617 4.935 ( -5.615 -1.409 -1.863) 6.082 5.046 ( -10.035 -4.074 -0.357) 10.836 5.207 ( -7.315 -0.715 5.723) 9.316 5.318 ( -11.015 -0.723 2.413) 11.299 5.415 ( -2.052 -1.576 -4.944) 5.580 5.481 ( 1.165 2.058 4.233) 4.849 5.537 ( 4.576 1.275 -0.743) 4.808 5.638 ( 5.002 -0.068 -2.810) 5.738 5.782 ( 15.747 -4.235 -6.365) 17.504 5.867 ( 3.943 2.141 0.896) 4.575 6.058 ( 8.323 2.296 -5.045) 10.000 6.326 ( 0.575 -2.739 7.692) 8.185 6.377 ( -3.476 -4.992 5.855) 8.443 6.557 ( 6.636 -0.937 -11.481) 13.294 6.630 ( 3.949 -2.105 -1.457) 4.707 7.126 ( -2.256 0.209 0.536) 2.328 7.141 ( -1.059 -0.102 2.111) 2.365 7.559 ( -2.367 1.517 1.601) 3.235 7.697 ( 2.847 -4.691 -2.630) 6.085 7.771 ( -7.253 -1.822 2.661) 7.937 8.007 ( 1.852 -0.834 -4.103) 4.578 8.112 ( -3.702 2.303 -0.016) 4.360 8.277 ( 3.664 -1.293 -0.288) 3.896 8.362 ( 1.026 -0.519 1.685) 2.040 8.481 ( 2.052 -0.344 -2.510) 3.261 8.775 ( -1.634 0.679 7.912) 8.107 8.850 ( -0.279 0.280 -7.621) 7.631 8.995 ( -0.565 -1.053 -0.156) 1.205 9.074 ( 5.754 0.384 2.675) 6.358 9.912 ( -4.926 -0.427 -3.186) 5.882 10.054 ( 7.232 1.323 9.298) 11.854 10.186 ( -6.918 -0.138 -8.664) 11.088 10.236 ( 2.376 -0.963 8.182) 8.574 11.117 ( -1.712 1.826 -3.933) 4.662 11.243 ( 3.461 1.058 -3.055) 4.736 11.731 ( -4.000 0.743 0.099) 4.070 11.951 ( 10.259 1.475 6.356) 12.158 12.346 ( -6.357 -1.103 -6.573) 9.210 12.426 ( 1.885 -1.151 6.124) 6.510 13.404 ( -1.619 -0.046 -1.346) 2.106 13.432 ( 0.987 -1.205 0.368) 1.600 14.264 ( -8.775 -1.602 -5.128) 10.289 14.488 ( 7.747 -3.241 3.366) 9.047 15.790 ( 5.851 0.991 2.465) 6.425 15.855 ( 6.946 1.075 -1.647) 7.219 18.435 ( -4.486 -0.173 13.639) 14.359 18.761 ( 4.584 -2.482 -17.107) 17.883 20.800 ( -2.701 2.247 19.589) 19.901 20.985 ( -3.213 0.659 -15.883) 16.218 21.851 ( -1.595 0.704 1.008) 2.014 21.889 ( -0.266 -0.438 -1.036) 1.156 ======================= Grid point 267 (129/141) ======================= q-point: (-0.30 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 7.450 22.636 4.199) 24.197 2.449 ( 12.834 14.648 -8.958) 21.437 2.741 ( 18.944 17.416 5.598) 26.335 2.982 ( 31.056 5.048 -0.630) 31.470 3.275 ( -3.952 6.019 1.099) 7.283 3.688 ( 1.227 4.784 3.167) 5.867 3.786 ( 0.107 -3.547 -1.724) 3.946 3.890 ( 0.003 -2.953 0.442) 2.986 3.913 ( -3.708 10.896 -4.411) 12.326 3.987 ( 3.298 1.025 4.791) 5.906 4.252 ( -4.087 -5.373 -2.895) 7.345 4.391 ( -4.702 -5.873 2.813) 8.032 4.547 ( -4.380 -1.562 -8.152) 9.386 4.604 ( -5.250 -4.629 4.902) 8.545 4.733 ( -3.664 -5.371 -0.877) 6.561 4.873 ( -1.032 -0.664 0.100) 1.231 5.035 ( -2.296 -7.669 -3.293) 8.657 5.108 ( -9.182 -5.198 2.206) 10.779 5.236 ( -1.970 -0.238 6.755) 7.041 5.395 ( 1.049 -3.718 -9.262) 10.035 5.478 ( -1.355 1.578 3.782) 4.316 5.581 ( 6.137 6.034 1.500) 8.736 5.718 ( 2.876 -0.327 5.145) 5.903 5.902 ( 4.241 6.182 -0.128) 7.498 5.993 ( 8.153 -5.007 -5.825) 11.201 6.135 ( 7.992 1.558 -6.382) 10.346 6.335 ( -1.429 0.528 0.172) 1.533 6.490 ( 3.797 -4.280 10.215) 11.708 6.653 ( 6.022 -6.009 -9.424) 12.696 6.722 ( 3.326 -4.933 -0.094) 5.950 7.099 ( -2.611 -2.707 -0.324) 3.775 7.146 ( 1.131 0.258 4.115) 4.275 7.489 ( -3.515 3.374 -2.217) 5.353 7.614 ( -5.729 2.906 -2.392) 6.855 7.793 ( -3.885 -4.101 3.481) 6.636 8.003 ( -4.647 6.120 0.884) 7.736 8.051 ( 2.213 -6.056 -4.195) 7.692 8.272 ( -2.681 -4.087 -0.768) 4.948 8.445 ( 1.270 -0.400 2.478) 2.813 8.460 ( -4.444 -0.746 -0.334) 4.519 8.735 ( -4.802 3.764 5.021) 7.902 8.908 ( 11.977 -0.517 -5.321) 13.116 9.027 ( 2.262 -2.921 -0.756) 3.771 9.190 ( 8.838 0.948 2.323) 9.187 9.864 ( -1.261 -2.249 -2.862) 3.852 10.049 ( -5.177 -0.471 -2.692) 5.854 10.198 ( 4.704 3.470 10.204) 11.759 10.339 ( 3.520 -2.621 9.960) 10.884 11.043 ( -1.074 3.083 -6.893) 7.627 11.214 ( -2.044 1.209 -5.577) 6.062 11.718 ( 0.928 1.179 2.736) 3.121 12.067 ( 4.940 4.267 -0.577) 6.553 12.247 ( -4.023 -3.587 -5.702) 7.846 12.489 ( 0.429 -1.983 6.641) 6.944 13.368 ( -2.832 -1.371 -0.974) 3.293 13.450 ( 0.841 1.751 0.779) 2.093 14.165 ( -2.946 -2.297 -2.141) 4.306 14.636 ( 4.219 -6.918 -3.167) 8.700 15.894 ( 8.606 4.233 -1.926) 9.782 16.002 ( 11.158 -3.606 1.438) 11.814 18.410 ( -6.668 0.673 13.116) 14.730 18.807 ( 6.260 -4.605 -14.299) 16.274 20.693 ( -9.381 9.226 -1.131) 13.206 20.929 ( -0.926 -2.815 3.032) 4.240 21.818 ( -1.921 1.104 1.205) 2.522 21.891 ( -0.143 -1.383 -0.305) 1.423 ======================= Grid point 268 (130/141) ======================= q-point: (-0.20 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.200 31.105 0.102) 31.128 2.385 ( 8.500 18.327 3.302) 20.470 2.951 ( 15.799 12.886 6.749) 21.476 3.128 ( 4.028 9.051 -10.341) 14.321 3.309 ( -9.480 14.721 1.950) 17.618 3.572 ( 15.410 1.364 -3.627) 15.890 3.649 ( -6.046 1.639 -1.110) 6.362 3.889 ( 3.031 -2.629 -8.686) 9.567 3.962 ( -1.373 -2.283 -1.211) 2.927 4.114 ( 10.461 0.049 8.920) 13.747 4.253 ( -3.596 -6.678 1.047) 7.657 4.448 ( 0.596 -8.627 -0.399) 8.656 4.497 ( -0.298 -5.295 -8.930) 10.386 4.659 ( -0.366 -2.870 5.119) 5.880 4.727 ( -0.489 -6.890 1.877) 7.158 4.874 ( 0.283 -1.202 -2.739) 3.004 5.014 ( -1.760 -5.098 -3.400) 6.376 5.159 ( 2.514 -3.405 6.425) 7.694 5.305 ( 4.857 -4.818 2.184) 7.181 5.402 ( -2.954 -3.610 0.640) 4.708 5.488 ( 1.553 -2.007 1.766) 3.091 5.623 ( 5.423 6.599 3.361) 9.179 5.775 ( 0.564 0.673 8.162) 8.209 5.869 ( 1.468 8.103 -1.374) 8.348 6.082 ( -0.950 -8.500 -4.167) 9.514 6.237 ( 10.302 3.171 -4.585) 11.713 6.294 ( -2.183 1.323 -1.222) 2.830 6.631 ( 4.613 -0.396 6.511) 7.989 6.690 ( -2.129 -2.489 -3.704) 4.944 6.841 ( 4.095 -7.786 -4.683) 9.965 7.087 ( -1.744 -2.841 -0.636) 3.393 7.243 ( 5.619 -3.981 1.324) 7.012 7.348 ( -4.572 5.037 -8.902) 11.204 7.501 ( -5.138 1.827 1.911) 5.778 7.762 ( -1.631 -0.202 1.679) 2.350 7.859 ( -6.659 7.628 6.027) 11.784 8.124 ( -0.271 -6.415 -3.496) 7.311 8.260 ( -3.743 -2.931 -1.769) 5.073 8.372 ( -6.759 -1.150 2.024) 7.149 8.425 ( -3.213 1.838 2.526) 4.481 8.622 ( -5.516 3.175 1.757) 6.602 9.065 ( 2.546 -2.151 -0.945) 3.464 9.159 ( 15.136 -1.918 -5.079) 16.080 9.368 ( 12.142 0.098 2.311) 12.361 9.870 ( 0.113 -2.618 -2.152) 3.390 9.985 ( -3.460 -0.801 0.498) 3.587 10.239 ( 0.342 3.939 7.958) 8.886 10.477 ( 3.969 -1.667 9.687) 10.600 10.976 ( 0.141 1.369 -6.140) 6.293 11.141 ( -1.835 0.354 -5.479) 5.789 11.682 ( -6.485 2.883 3.910) 8.103 12.070 ( 4.144 2.078 -9.127) 10.236 12.211 ( -2.947 -2.048 -1.529) 3.901 12.549 ( 0.804 -2.718 4.844) 5.612 13.345 ( -1.468 -1.560 0.888) 2.319 13.446 ( 2.171 4.135 2.559) 5.325 14.185 ( 2.412 -1.078 1.168) 2.889 14.711 ( 0.645 -7.003 -11.757) 13.700 15.967 ( 6.361 2.438 -1.628) 7.004 16.271 ( 13.509 -7.354 2.545) 15.590 18.335 ( -7.858 2.023 10.470) 13.247 18.911 ( 7.324 -6.095 -9.893) 13.735 20.385 ( -12.178 13.439 -5.755) 19.027 20.979 ( -0.104 -3.354 6.392) 7.220 21.787 ( -1.428 0.651 1.126) 1.931 21.908 ( 0.153 -1.938 0.234) 1.958 ======================= Grid point 269 (131/141) ======================= q-point: (-0.10 0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 2.592 22.869 3.572) 23.291 2.390 ( 3.209 9.753 9.554) 14.025 2.773 ( -15.186 8.226 -8.210) 19.123 3.039 ( 6.135 11.549 -12.679) 18.215 3.211 ( 8.485 9.660 10.998) 16.920 3.549 ( -5.277 -0.467 0.800) 5.358 3.767 ( 2.495 -0.774 -7.561) 8.000 3.814 ( -4.625 -1.620 -12.762) 13.670 4.017 ( 5.098 -5.200 6.685) 9.885 4.229 ( -4.161 -2.340 -0.825) 4.845 4.321 ( 7.360 2.498 1.207) 7.866 4.512 ( 2.097 -3.585 -0.750) 4.221 4.584 ( 2.253 -4.476 -0.514) 5.037 4.726 ( 7.442 -5.428 -1.332) 9.307 4.834 ( 0.384 -8.123 3.553) 8.874 4.895 ( 1.959 -0.401 -1.160) 2.312 5.054 ( 2.435 -3.367 -4.074) 5.819 5.265 ( 7.998 3.750 3.930) 9.668 5.376 ( -6.460 -3.574 9.253) 11.837 5.461 ( 4.134 -5.229 0.629) 6.695 5.562 ( 3.620 -1.689 -0.119) 3.997 5.644 ( 2.647 5.854 0.446) 6.440 5.762 ( 1.820 9.216 3.735) 10.109 5.890 ( -0.328 -11.282 8.129) 13.910 6.117 ( -2.742 -6.352 0.135) 6.920 6.215 ( -4.246 0.076 -3.936) 5.790 6.345 ( 9.057 5.478 -0.071) 10.585 6.609 ( -1.920 2.297 -6.607) 7.254 6.714 ( -0.672 -1.482 3.451) 3.815 6.893 ( -0.601 1.954 -4.699) 5.124 7.073 ( -2.015 -1.388 -3.723) 4.455 7.170 ( -3.832 2.260 -4.131) 6.071 7.399 ( 1.504 -0.770 3.106) 3.536 7.486 ( 6.799 -6.967 -5.179) 11.027 7.694 ( -8.939 9.201 10.388) 16.507 7.812 ( 5.010 -3.639 -0.091) 6.193 8.116 ( -1.716 -0.741 -2.710) 3.292 8.182 ( -7.822 -0.541 0.233) 7.844 8.305 ( -3.611 0.302 1.213) 3.821 8.370 ( -0.965 1.330 -1.279) 2.082 8.554 ( -3.028 -1.008 3.050) 4.415 9.077 ( -1.734 -0.716 -0.864) 2.066 9.363 ( 9.905 -0.981 -4.991) 11.135 9.553 ( 8.922 0.545 1.106) 9.007 9.884 ( 0.120 -0.603 -0.900) 1.090 9.952 ( -1.676 -0.585 0.840) 1.964 10.231 ( -0.710 1.885 3.915) 4.403 10.568 ( 1.516 0.281 7.158) 7.322 10.982 ( 2.141 -2.533 -1.497) 3.639 11.118 ( 1.564 -0.247 -2.557) 3.008 11.524 ( -9.941 1.895 0.918) 10.161 12.016 ( -1.784 3.967 -9.806) 10.728 12.218 ( 1.234 -2.734 -0.553) 3.050 12.607 ( 0.783 -2.254 3.072) 3.890 13.357 ( -0.304 -1.568 2.017) 2.573 13.483 ( 5.025 3.701 5.730) 8.472 14.241 ( 3.505 2.055 2.661) 4.857 14.675 ( -2.799 -4.368 -18.353) 19.072 16.038 ( 4.011 -0.140 0.430) 4.037 16.545 ( 6.851 -8.441 4.784) 11.877 18.247 ( -3.438 2.427 3.987) 5.797 19.053 ( 6.233 -6.694 -4.226) 10.076 20.023 ( -11.912 14.264 -3.935) 18.996 21.042 ( 0.949 -2.748 4.109) 5.033 21.774 ( -0.344 -0.049 0.472) 0.586 21.931 ( 0.093 -1.433 0.661) 1.581 ======================= Grid point 276 (132/141) ======================= q-point: (-0.40 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 20.599 0.000 -8.770) 22.389 2.643 ( 12.739 0.000 2.778) 13.038 2.966 ( 20.852 0.000 -0.225) 20.853 3.053 ( 18.745 0.000 -1.023) 18.773 3.389 ( -2.327 -0.000 12.692) 12.904 3.668 ( -1.251 -0.000 -4.733) 4.895 3.762 ( 4.022 0.000 -1.705) 4.369 3.799 ( 0.245 0.000 -3.074) 3.083 3.981 ( 1.982 0.000 14.920) 15.051 4.072 ( 1.332 0.000 -2.780) 3.083 4.207 ( -9.809 -0.000 -5.062) 11.038 4.360 ( -18.321 -0.000 0.207) 18.322 4.419 ( 0.476 0.000 0.106) 0.488 4.559 ( -10.704 -0.000 1.433) 10.799 4.751 ( -4.502 -0.000 -3.374) 5.627 4.865 ( 0.784 0.000 1.287) 1.507 4.916 ( -0.391 -0.000 -3.902) 3.922 5.059 ( -8.902 -0.000 -3.330) 9.504 5.245 ( -3.003 -0.000 9.039) 9.525 5.352 ( 1.845 0.000 -10.234) 10.399 5.512 ( -3.430 -0.000 9.490) 10.091 5.643 ( 5.110 0.000 -1.786) 5.413 5.714 ( 8.120 0.000 -1.161) 8.202 5.936 ( 6.245 0.000 -6.256) 8.840 5.971 ( 6.417 0.000 0.646) 6.450 6.157 ( 7.904 0.000 -5.496) 9.628 6.362 ( 1.207 0.000 2.448) 2.729 6.382 ( 1.807 0.000 9.022) 9.201 6.624 ( 8.079 0.000 -7.355) 10.926 6.659 ( 1.905 0.000 1.673) 2.535 7.070 ( -4.283 -0.000 -0.323) 4.295 7.151 ( 0.323 0.000 3.288) 3.304 7.608 ( 4.845 0.000 -2.554) 5.477 7.651 ( -6.765 -0.000 1.584) 6.948 7.653 ( -3.096 -0.000 -2.480) 3.967 7.996 ( 0.147 0.000 -4.608) 4.610 8.091 ( -1.300 -0.000 0.105) 1.304 8.205 ( -6.297 -0.000 1.512) 6.476 8.439 ( 1.636 0.000 3.594) 3.949 8.453 ( -4.391 -0.000 -1.103) 4.528 8.776 ( -3.179 -0.000 4.761) 5.725 8.904 ( 11.466 0.000 -4.871) 12.457 8.994 ( 1.456 0.000 -0.242) 1.476 9.200 ( 8.277 0.000 2.364) 8.608 9.839 ( -1.957 -0.000 -2.779) 3.399 10.041 ( -5.590 -0.000 -4.329) 7.070 10.249 ( 8.542 0.000 11.583) 14.392 10.301 ( 0.327 0.000 10.197) 10.203 11.077 ( -1.287 -0.000 -7.592) 7.701 11.226 ( -2.811 -0.000 -5.693) 6.349 11.730 ( 1.545 0.000 2.429) 2.878 12.131 ( 6.655 0.000 3.954) 7.741 12.191 ( -6.152 -0.000 -9.309) 11.158 12.469 ( 0.260 0.000 6.730) 6.736 13.354 ( -2.700 -0.000 -1.677) 3.178 13.469 ( 2.712 0.000 1.807) 3.258 14.141 ( -2.791 -0.000 -1.261) 3.062 14.564 ( 3.892 0.000 -2.533) 4.644 15.948 ( 5.324 0.000 -4.363) 6.884 15.958 ( 12.669 0.000 3.511) 13.147 18.418 ( -5.596 -0.000 11.737) 13.003 18.761 ( 6.649 0.000 -14.247) 15.722 20.832 ( -5.589 -0.000 -17.535) 18.404 20.854 ( -4.281 -0.000 19.604) 20.066 21.835 ( -1.698 -0.000 1.120) 2.034 21.870 ( -1.242 -0.000 -0.185) 1.255 ======================= Grid point 278 (133/141) ======================= q-point: (-0.30 0.60 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 6.888 11.796 -5.228) 14.627 2.717 ( 5.037 14.120 -4.264) 15.586 3.219 ( 15.165 8.497 3.413) 17.715 3.255 ( -4.287 9.056 -0.707) 10.044 3.426 ( 14.535 1.397 0.503) 14.611 3.655 ( -1.139 -5.244 -0.407) 5.382 3.719 ( -8.450 5.480 -2.497) 10.377 3.871 ( -5.977 5.919 -5.541) 10.073 3.889 ( 0.058 -2.923 -0.343) 2.943 4.053 ( -6.817 -8.323 -1.572) 10.873 4.150 ( 5.297 -1.221 11.116) 12.374 4.215 ( -0.200 -9.639 5.887) 11.296 4.437 ( -1.555 0.389 -2.918) 3.329 4.556 ( 1.409 -9.594 2.391) 9.987 4.667 ( -0.609 2.555 -0.112) 2.629 4.832 ( -1.101 -2.860 -7.126) 7.757 4.959 ( -0.282 -0.892 -4.159) 4.263 5.039 ( 6.871 -4.683 4.653) 9.529 5.263 ( 0.057 -0.919 8.506) 8.556 5.364 ( 4.087 -0.469 -9.242) 10.116 5.492 ( -3.245 1.537 10.593) 11.185 5.724 ( 3.935 -0.314 2.387) 4.613 5.807 ( 6.450 4.888 -0.652) 8.119 5.934 ( -2.925 -4.107 -4.312) 6.635 6.046 ( 5.319 5.328 -1.051) 7.602 6.249 ( 5.399 -0.611 -10.613) 11.923 6.363 ( 3.238 4.622 3.413) 6.595 6.487 ( 0.200 -8.851 3.167) 9.403 6.719 ( 0.548 -2.817 2.127) 3.573 6.728 ( 9.168 2.384 -2.677) 9.844 7.017 ( -3.381 -3.704 1.004) 5.114 7.190 ( 2.919 -1.624 1.420) 3.630 7.495 ( -4.274 8.032 -7.829) 12.003 7.541 ( -5.391 1.478 -0.883) 5.659 7.742 ( 3.612 -2.573 1.586) 4.710 7.988 ( -2.833 -1.251 1.416) 3.405 8.023 ( -0.614 4.369 -1.434) 4.639 8.167 ( -4.420 -6.217 1.353) 7.747 8.351 ( -7.362 -0.512 0.850) 7.428 8.444 ( -2.384 0.284 3.878) 4.561 8.694 ( -7.028 2.847 1.695) 7.770 9.021 ( 1.747 -1.823 0.235) 2.536 9.135 ( 16.854 -0.538 -5.698) 17.799 9.369 ( 11.382 0.001 2.614) 11.679 9.825 ( 0.479 -1.439 -2.003) 2.512 9.962 ( -3.891 -0.924 -0.414) 4.021 10.319 ( -0.694 3.150 8.493) 9.085 10.441 ( 5.916 -1.728 11.338) 12.905 11.004 ( -1.901 1.025 -8.310) 8.586 11.144 ( -2.619 -0.023 -6.570) 7.073 11.723 ( -6.179 1.184 4.524) 7.749 12.101 ( 2.948 0.894 -9.047) 9.557 12.182 ( -2.036 -0.814 -1.391) 2.597 12.511 ( 0.926 -1.029 5.672) 5.839 13.321 ( -1.197 -0.657 0.421) 1.429 13.515 ( 3.082 2.184 1.873) 4.217 14.171 ( 4.445 -0.282 4.821) 6.564 14.594 ( 1.291 -3.834 -9.883) 10.679 15.969 ( 0.312 -0.693 -5.654) 5.705 16.224 ( 17.408 0.054 5.864) 18.369 18.365 ( -6.677 0.828 8.626) 10.939 18.834 ( 8.678 -1.859 -10.971) 14.112 20.605 ( -8.132 8.003 -13.013) 17.307 20.895 ( -3.674 -4.350 13.919) 15.039 21.805 ( -1.744 1.237 0.991) 2.356 21.861 ( -1.220 -2.352 0.327) 2.670 ======================= Grid point 279 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -4.011 25.606 -1.100) 25.942 2.608 ( -3.819 10.650 2.143) 11.515 2.946 ( -21.887 7.523 -7.366) 24.288 3.254 ( -4.184 11.736 -6.666) 14.130 3.408 ( 7.899 7.112 4.827) 11.673 3.560 ( -0.930 2.736 1.088) 3.088 3.728 ( -1.226 -1.233 -11.676) 11.805 3.816 ( -1.125 -0.073 -9.420) 9.487 3.885 ( 0.163 -6.602 8.909) 11.090 4.176 ( 0.424 -7.296 4.878) 8.786 4.314 ( 8.385 -4.393 3.278) 10.018 4.392 ( 2.937 -5.050 -3.260) 6.690 4.416 ( 3.548 -7.436 -0.636) 8.263 4.633 ( 1.286 -5.727 2.135) 6.246 4.722 ( 1.387 -2.116 5.435) 5.995 4.846 ( 1.013 -3.656 -1.663) 4.143 5.010 ( 6.057 -1.430 -3.584) 7.182 5.223 ( 6.052 -6.159 3.030) 9.151 5.352 ( -2.294 -1.419 9.892) 10.253 5.402 ( 9.126 1.589 -0.906) 9.307 5.505 ( 1.175 -2.257 7.524) 7.943 5.769 ( 2.329 1.994 2.980) 4.276 5.825 ( 2.408 6.757 -1.227) 7.278 5.944 ( -0.419 -4.838 2.178) 5.322 6.008 ( 0.850 7.972 -4.250) 9.074 6.223 ( -2.316 -0.073 -5.087) 5.590 6.436 ( 6.795 2.885 -0.984) 7.447 6.574 ( -0.519 -6.669 -1.124) 6.783 6.675 ( -2.153 0.479 -1.291) 2.556 6.871 ( 7.314 -1.732 -1.325) 7.632 7.037 ( -0.662 -2.850 -0.755) 3.021 7.277 ( -2.247 4.250 -3.665) 6.046 7.323 ( 4.189 -2.230 -6.399) 7.967 7.453 ( -3.694 0.605 0.333) 3.758 7.795 ( 3.555 2.146 0.552) 4.189 7.868 ( -7.313 7.916 10.151) 14.805 8.084 ( 4.558 -3.760 -3.619) 6.929 8.132 ( -5.390 -3.159 -1.527) 6.432 8.286 ( -3.634 -1.990 2.320) 4.749 8.400 ( -4.062 1.718 3.481) 5.619 8.560 ( -6.176 1.402 2.014) 6.646 9.049 ( -0.514 -1.983 -1.755) 2.697 9.358 ( 13.175 0.362 -5.871) 14.428 9.557 ( 9.620 0.014 1.421) 9.724 9.846 ( 0.121 -2.029 -0.712) 2.154 9.924 ( -2.720 -2.076 1.096) 3.593 10.293 ( -2.068 3.360 4.203) 5.765 10.569 ( 2.860 -0.160 8.299) 8.779 10.950 ( -0.130 -0.849 -4.022) 4.113 11.108 ( 1.155 -0.638 -3.286) 3.541 11.565 ( -11.823 1.880 1.737) 12.097 12.072 ( -4.316 1.719 -7.679) 8.976 12.179 ( 5.179 -1.200 -2.756) 5.988 12.569 ( 1.477 -1.482 4.353) 4.830 13.332 ( 0.422 -0.947 2.224) 2.454 13.552 ( 3.638 2.893 2.864) 5.459 14.284 ( 6.307 2.708 6.616) 9.534 14.583 ( -0.505 -5.138 -16.446) 17.237 15.941 ( -4.100 -5.875 -3.886) 8.150 16.531 ( 16.565 2.941 10.308) 19.731 18.287 ( -4.290 1.474 2.911) 5.390 18.956 ( 8.776 -3.160 -7.096) 11.720 20.298 ( -10.741 12.889 -9.166) 19.118 20.961 ( -1.111 -5.438 9.159) 10.710 21.774 ( -1.425 0.477 0.741) 1.675 21.877 ( -0.793 -3.563 0.479) 3.681 ======================= Grid point 280 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -10.310 17.841 -2.106) 20.713 2.368 ( -14.448 5.947 9.395) 18.231 2.575 ( -13.309 -0.479 -1.667) 13.421 3.027 ( -7.115 6.359 -13.309) 16.377 3.435 ( -0.457 4.745 3.396) 5.853 3.598 ( 9.719 5.021 -5.748) 12.358 3.640 ( -4.416 -1.677 -3.902) 6.127 3.763 ( 2.249 3.547 -5.546) 6.957 4.012 ( -1.623 -10.722 7.256) 13.048 4.189 ( -1.474 1.580 3.013) 3.708 4.356 ( -3.404 -0.165 -3.137) 4.632 4.451 ( -1.975 -11.289 0.122) 11.461 4.575 ( 1.642 -2.627 0.304) 3.113 4.747 ( -0.609 -5.024 -0.406) 5.077 4.821 ( 3.930 -5.829 4.918) 8.580 4.883 ( 1.334 -3.060 1.442) 3.636 5.107 ( 5.773 -0.806 -1.371) 5.989 5.287 ( -7.247 2.030 8.033) 11.007 5.358 ( 1.643 -8.388 -1.724) 8.719 5.522 ( 7.929 5.855 1.898) 10.037 5.676 ( 6.038 0.205 6.474) 8.855 5.726 ( 0.441 8.167 -4.944) 9.557 5.836 ( 1.843 -1.773 4.176) 4.897 5.893 ( -1.096 3.701 1.987) 4.341 6.058 ( 2.868 -5.905 5.906) 8.830 6.160 ( -0.246 2.314 -2.424) 3.360 6.418 ( -4.306 -0.957 -7.173) 8.420 6.614 ( 6.022 1.446 -2.764) 6.782 6.731 ( 4.529 -0.350 -0.044) 4.543 6.874 ( -2.780 5.756 -5.037) 8.138 7.022 ( 0.219 -1.152 -5.273) 5.402 7.176 ( 0.876 3.424 -0.594) 3.584 7.411 ( -1.373 -0.241 0.996) 1.714 7.503 ( 8.944 -9.469 -6.712) 14.653 7.698 ( -9.721 10.481 13.163) 19.432 7.866 ( 4.203 -3.366 -0.010) 5.384 8.066 ( -4.133 0.526 0.304) 4.177 8.164 ( 7.336 3.033 -4.066) 8.919 8.257 ( -2.546 -1.111 -0.007) 2.778 8.350 ( -0.609 -1.141 -1.717) 2.149 8.524 ( -1.797 -1.279 6.820) 7.168 9.029 ( -2.402 -1.262 -0.978) 2.884 9.455 ( 3.215 2.958 -4.077) 5.976 9.636 ( 0.495 0.126 -2.101) 2.163 9.844 ( -3.031 -2.346 0.442) 3.858 9.949 ( 2.661 -1.650 0.920) 3.263 10.247 ( -1.478 1.787 1.630) 2.834 10.618 ( 0.552 0.945 4.378) 4.512 10.983 ( 2.196 -2.953 0.321) 3.694 11.154 ( 3.081 -0.159 1.322) 3.356 11.383 ( -8.196 -0.029 0.507) 8.211 11.939 ( -5.001 0.651 -7.781) 9.272 12.256 ( 4.451 1.066 -1.047) 4.694 12.619 ( 0.710 -1.051 3.310) 3.545 13.368 ( 2.018 -0.359 1.767) 2.706 13.597 ( 2.485 1.611 2.333) 3.770 14.344 ( 1.846 2.048 -2.061) 3.443 14.528 ( 0.130 0.514 -11.082) 11.095 15.931 ( -6.760 -11.771 -1.259) 13.633 16.723 ( 5.076 9.423 16.555) 19.713 18.270 ( 5.722 0.506 -5.961) 8.278 19.102 ( 7.842 -3.574 -2.287) 8.916 19.948 ( -11.793 13.019 -4.543) 18.144 21.045 ( 1.338 -4.213 4.159) 6.070 21.762 ( -0.509 -1.018 0.014) 1.139 21.905 ( -0.591 -3.531 0.629) 3.635 ======================= Grid point 288 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -11.987 -0.000 -2.997) 12.356 2.799 ( -2.213 -0.000 -9.925) 10.168 3.056 ( -21.744 -0.000 -0.233) 21.745 3.380 ( 2.522 0.000 -6.103) 6.604 3.442 ( -10.139 -0.000 -3.822) 10.836 3.648 ( 0.236 0.000 11.520) 11.522 3.743 ( -10.567 -0.000 -5.685) 11.999 3.758 ( 1.609 0.000 -11.698) 11.808 3.879 ( 7.556 0.000 2.653) 8.008 3.968 ( 10.170 0.000 7.932) 12.897 4.268 ( -0.111 -0.000 1.337) 1.341 4.300 ( 7.804 0.000 9.798) 12.526 4.424 ( -0.293 -0.000 -13.926) 13.929 4.515 ( 1.960 0.000 11.592) 11.757 4.743 ( 2.006 0.000 8.457) 8.692 4.783 ( 2.389 0.000 -7.846) 8.202 4.996 ( 6.881 0.000 -3.165) 7.575 5.157 ( 6.467 0.000 2.099) 6.799 5.320 ( 3.002 0.000 10.395) 10.819 5.438 ( 9.318 0.000 -4.445) 10.324 5.494 ( -3.178 -0.000 11.571) 11.999 5.777 ( 2.570 0.000 3.730) 4.529 5.848 ( 0.027 0.000 -1.531) 1.531 5.951 ( 4.571 0.000 -2.934) 5.432 6.153 ( 4.347 0.000 -0.284) 4.356 6.176 ( -4.875 -0.000 -11.222) 12.235 6.431 ( 0.559 0.000 0.755) 0.939 6.517 ( 7.842 0.000 -0.561) 7.862 6.680 ( -3.890 -0.000 -1.962) 4.357 6.889 ( 9.066 0.000 -2.821) 9.495 6.973 ( -0.615 -0.000 5.736) 5.769 7.233 ( 4.655 0.000 -2.024) 5.076 7.411 ( -6.125 -0.000 -4.830) 7.800 7.439 ( -4.874 -0.000 -5.151) 7.091 7.847 ( 4.023 0.000 1.625) 4.339 7.953 ( -3.977 -0.000 6.341) 7.485 8.045 ( -3.025 -0.000 2.787) 4.113 8.065 ( 3.715 0.000 -5.952) 7.016 8.262 ( -3.775 -0.000 2.712) 4.648 8.420 ( -3.517 -0.000 4.966) 6.086 8.582 ( -9.205 -0.000 2.265) 9.479 9.022 ( 0.293 0.000 -2.879) 2.894 9.365 ( 14.978 0.000 -6.188) 16.206 9.557 ( 9.808 0.000 1.574) 9.934 9.824 ( 0.415 0.000 -0.873) 0.967 9.898 ( -3.742 -0.000 2.185) 4.333 10.330 ( -2.867 -0.000 3.510) 4.532 10.566 ( 3.683 0.000 9.153) 9.866 10.943 ( -1.233 -0.000 -5.233) 5.376 11.100 ( 0.902 0.000 -3.666) 3.776 11.585 ( -12.353 -0.000 2.030) 12.518 12.087 ( -6.591 -0.000 -6.029) 8.933 12.169 ( 7.886 0.000 -4.445) 9.053 12.554 ( 1.717 0.000 4.801) 5.099 13.322 ( 0.735 0.000 2.327) 2.440 13.582 ( 2.852 0.000 1.389) 3.172 14.327 ( 9.024 0.000 11.230) 14.407 14.513 ( -0.839 -0.000 -17.262) 17.282 15.881 ( -6.128 -0.000 -6.420) 8.876 16.567 ( 18.937 0.000 12.181) 22.516 18.302 ( -4.555 -0.000 2.433) 5.165 18.926 ( 9.180 0.000 -8.147) 12.273 20.453 ( -7.438 -0.000 -17.117) 18.664 20.881 ( -4.050 -0.000 17.248) 17.717 21.795 ( -1.117 -0.000 0.182) 1.131 21.820 ( -1.983 -0.000 0.902) 2.179 ======================= Grid point 289 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -21.827 0.372 1.289) 21.868 2.460 ( -27.869 6.592 -3.686) 28.874 2.729 ( -9.841 12.469 1.897) 15.998 3.196 ( -7.353 10.672 -11.737) 17.484 3.400 ( -5.218 -8.352 -12.764) 16.121 3.632 ( 2.583 -1.505 -4.802) 5.656 3.660 ( -0.182 3.375 9.576) 10.155 3.760 ( 0.031 -7.849 -5.146) 9.386 3.941 ( -2.553 6.728 -1.409) 7.333 4.185 ( -0.149 -10.953 4.599) 11.880 4.239 ( 3.499 3.658 7.938) 9.415 4.356 ( -2.628 -0.063 -7.616) 8.057 4.491 ( 7.086 -4.723 2.014) 8.750 4.650 ( 3.599 -6.901 10.175) 12.811 4.747 ( -3.191 1.301 7.029) 7.828 4.825 ( 1.886 -2.677 -1.260) 3.509 5.095 ( 5.951 -0.116 -2.058) 6.298 5.239 ( 1.820 -3.031 -0.263) 3.546 5.345 ( -4.927 2.195 8.499) 10.066 5.603 ( 12.424 1.867 -0.239) 12.566 5.622 ( 10.989 -1.756 9.396) 14.564 5.840 ( 3.479 1.501 4.819) 6.130 5.882 ( -4.753 5.063 -3.044) 7.582 5.930 ( 4.787 -4.263 -0.213) 6.413 6.000 ( -6.385 3.493 -4.029) 8.319 6.220 ( 3.174 1.112 -1.925) 3.875 6.389 ( -5.949 -0.796 -8.624) 10.507 6.616 ( 4.534 -0.028 -0.419) 4.553 6.709 ( 9.506 -1.111 1.755) 9.730 6.959 ( 2.681 2.649 -1.993) 4.263 6.997 ( 0.320 -1.246 -4.387) 4.571 7.272 ( -1.939 5.399 -0.992) 5.822 7.352 ( 7.249 -4.749 -5.885) 10.475 7.382 ( -2.617 -3.267 -2.556) 4.904 7.844 ( -0.370 0.467 -0.794) 0.993 7.854 ( -9.327 4.587 11.951) 15.839 8.077 ( 2.639 0.416 0.636) 2.747 8.174 ( 9.661 -1.549 -5.626) 11.286 8.233 ( -1.840 -1.058 -2.861) 3.562 8.365 ( -4.786 2.677 4.986) 7.412 8.497 ( -2.998 -1.555 9.091) 9.698 8.997 ( -1.668 -1.351 -4.956) 5.401 9.519 ( 7.993 2.776 -5.798) 10.257 9.628 ( -1.741 -0.830 -2.551) 3.198 9.808 ( -2.933 -1.075 -0.585) 3.178 9.908 ( 2.707 -1.646 4.535) 5.532 10.280 ( -3.206 1.071 0.796) 3.473 10.632 ( 1.148 0.387 3.809) 3.997 10.940 ( 1.836 -1.185 -0.110) 2.188 11.146 ( 4.289 -0.395 3.148) 5.335 11.393 ( -11.162 0.530 0.661) 11.194 11.941 ( -6.576 -0.121 -8.638) 10.857 12.275 ( 6.880 0.651 -1.417) 7.055 12.603 ( 1.204 -0.476 4.225) 4.419 13.363 ( 2.880 -0.106 2.366) 3.729 13.619 ( 1.573 0.621 0.283) 1.714 14.379 ( -1.875 1.428 -18.536) 18.685 14.537 ( 7.600 -0.021 8.743) 11.584 15.750 ( -9.261 -5.210 -4.181) 11.419 16.878 ( 10.172 4.741 21.671) 24.404 18.278 ( 4.859 0.249 -7.145) 8.645 19.039 ( 7.818 -2.096 -4.961) 9.494 20.201 ( -8.929 9.677 -13.449) 18.821 20.939 ( -0.922 -5.030 12.434) 13.445 21.762 ( -1.283 1.417 0.062) 1.913 21.823 ( -1.383 -4.107 0.543) 4.368 ======================= Grid point 290 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -30.035 6.609 -4.717) 31.113 2.145 ( -21.572 -9.150 13.852) 27.221 2.514 ( -3.733 11.228 5.051) 12.866 2.907 ( -7.962 8.536 -15.070) 19.062 3.279 ( -7.824 -6.013 -18.202) 20.705 3.672 ( -14.685 -2.828 -4.352) 15.575 3.698 ( 2.662 1.506 2.816) 4.158 3.701 ( -1.952 1.203 1.132) 2.557 3.885 ( -1.360 -11.576 7.606) 13.918 4.199 ( -7.433 -1.138 1.252) 7.623 4.294 ( -1.619 -1.999 -3.098) 4.027 4.332 ( 3.567 1.442 8.682) 9.496 4.596 ( 3.398 -1.030 -0.283) 3.562 4.691 ( -2.549 0.989 1.502) 3.119 4.756 ( -6.260 -5.200 4.206) 9.161 4.924 ( 3.648 -4.725 3.668) 7.007 5.144 ( -0.328 -1.212 0.124) 1.261 5.286 ( -0.818 -0.385 4.557) 4.646 5.295 ( 0.417 -0.316 1.411) 1.504 5.678 ( -1.432 7.787 -6.408) 10.185 5.724 ( 3.052 5.522 -0.121) 6.310 5.830 ( -2.320 0.872 -7.141) 7.559 5.852 ( 1.839 3.776 9.599) 10.477 5.920 ( 7.808 -3.034 -0.028) 8.377 6.144 ( 6.124 -4.301 7.011) 10.255 6.231 ( 4.020 5.155 -1.951) 6.822 6.281 ( 0.280 -4.167 -7.000) 8.151 6.681 ( 2.436 -1.455 0.761) 2.938 6.815 ( -0.507 9.977 -5.001) 11.172 6.940 ( 8.091 2.473 -0.935) 8.512 7.008 ( 3.246 -1.477 -6.257) 7.201 7.215 ( -0.067 2.418 -1.350) 2.770 7.361 ( -3.551 -2.126 1.189) 4.306 7.527 ( 9.979 -8.424 -8.434) 15.546 7.714 ( -7.503 8.366 13.623) 17.660 7.856 ( 0.209 -1.458 -2.358) 2.780 8.072 ( 0.831 1.111 -1.067) 1.750 8.207 ( -2.260 -1.202 1.383) 2.909 8.295 ( 5.553 -1.078 -2.584) 6.218 8.325 ( 0.587 -0.834 0.339) 1.075 8.576 ( 5.746 1.875 6.105) 8.591 8.975 ( -0.833 -2.887 -1.117) 3.206 9.437 ( -9.413 3.557 -1.851) 10.232 9.573 ( -6.470 -0.127 -2.523) 6.946 9.779 ( 0.588 -2.144 -3.595) 4.227 9.994 ( 2.463 -0.921 2.755) 3.809 10.239 ( -1.399 0.362 1.555) 2.123 10.644 ( 0.353 0.778 -0.149) 0.867 11.000 ( 2.109 -1.999 2.086) 3.577 11.158 ( -6.090 2.258 -1.533) 6.673 11.347 ( 4.701 -2.771 9.666) 11.100 11.820 ( -4.319 -1.400 -7.303) 8.599 12.348 ( 4.603 2.810 -0.108) 5.393 12.635 ( -0.000 -0.325 3.486) 3.502 13.433 ( 5.189 0.711 0.309) 5.247 13.601 ( -2.664 0.542 -5.726) 6.339 14.236 ( -3.920 -1.236 -17.069) 17.557 14.660 ( 6.164 6.637 9.966) 13.467 15.668 ( -9.796 -11.424 -1.149) 15.093 16.930 ( -8.438 12.399 27.554) 31.372 18.415 ( 18.733 1.094 -14.725) 23.853 19.188 ( 8.712 -5.724 -0.610) 10.442 19.868 ( -11.068 14.263 -7.266) 19.462 21.049 ( 2.395 -5.020 4.873) 7.395 21.742 ( -0.591 -0.817 -0.469) 1.112 21.852 ( -1.064 -4.988 0.426) 5.117 ======================= Grid point 299 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -32.406 -0.000 -0.737) 32.414 2.027 ( -26.314 -0.000 10.500) 28.331 2.685 ( -6.569 -0.000 6.101) 8.965 3.055 ( -12.856 -0.000 -16.661) 21.044 3.157 ( -5.776 -0.000 -18.918) 19.781 3.615 ( -15.483 -0.000 -2.501) 15.683 3.679 ( 1.954 0.000 -12.246) 12.400 3.680 ( -8.451 -0.000 10.436) 13.429 3.808 ( 4.456 0.000 8.504) 9.601 4.156 ( -2.043 -0.000 1.988) 2.851 4.232 ( -7.780 -0.000 -6.779) 10.319 4.522 ( 9.630 0.000 14.262) 17.209 4.544 ( 2.239 0.000 1.028) 2.464 4.638 ( -4.160 -0.000 3.233) 5.269 4.718 ( -1.611 -0.000 2.446) 2.929 4.849 ( 0.761 0.000 7.311) 7.351 5.142 ( 0.595 0.000 -2.437) 2.508 5.238 ( 0.019 0.000 0.649) 0.649 5.346 ( -0.132 -0.000 6.987) 6.988 5.772 ( -6.295 -0.000 -2.873) 6.920 5.791 ( 2.334 0.000 -3.448) 4.164 5.809 ( 11.317 0.000 -0.709) 11.340 5.866 ( -0.205 -0.000 -4.718) 4.723 5.935 ( 1.728 0.000 6.701) 6.920 6.084 ( 10.426 0.000 6.675) 12.380 6.233 ( -1.334 -0.000 -7.458) 7.576 6.296 ( 3.130 0.000 -5.610) 6.424 6.664 ( 1.532 0.000 3.175) 3.525 6.905 ( 8.131 0.000 3.962) 9.045 6.987 ( 5.266 0.000 -4.263) 6.775 6.990 ( 2.124 0.000 -8.972) 9.220 7.260 ( -3.431 -0.000 -6.067) 6.969 7.316 ( -1.999 -0.000 4.744) 5.147 7.428 ( 9.861 0.000 -8.516) 13.029 7.798 ( -6.560 -0.000 11.772) 13.477 7.836 ( 1.416 0.000 -2.595) 2.956 8.130 ( -4.896 -0.000 -8.999) 10.245 8.163 ( 3.512 0.000 2.569) 4.351 8.249 ( 1.935 0.000 2.975) 3.549 8.342 ( -3.304 -0.000 5.042) 6.029 8.602 ( 10.697 0.000 7.328) 12.966 8.936 ( -1.192 -0.000 -5.843) 5.964 9.477 ( -11.729 -0.000 -3.106) 12.133 9.571 ( -4.913 -0.000 -1.886) 5.263 9.757 ( 1.474 0.000 -5.492) 5.686 9.981 ( 2.713 0.000 5.064) 5.745 10.245 ( -2.089 -0.000 1.837) 2.782 10.652 ( 0.583 0.000 -1.069) 1.218 10.978 ( 2.433 0.000 2.300) 3.348 11.183 ( -6.199 -0.000 -1.022) 6.282 11.320 ( 4.005 0.000 11.534) 12.210 11.805 ( -4.739 -0.000 -8.756) 9.956 12.377 ( 5.729 0.000 -0.111) 5.731 12.631 ( 0.042 0.000 3.984) 3.984 13.440 ( 5.777 0.000 0.482) 5.797 13.606 ( -2.642 -0.000 -6.166) 6.708 14.226 ( -3.514 -0.000 -19.906) 20.214 14.734 ( 7.417 0.000 13.334) 15.258 15.543 ( -10.504 -0.000 -2.693) 10.843 17.062 ( -8.325 -0.000 32.321) 33.376 18.431 ( 22.014 0.000 -16.264) 27.370 19.109 ( 5.042 0.000 -2.540) 5.646 20.057 ( -7.076 -0.000 -15.297) 16.854 20.973 ( 1.265 0.000 11.873) 11.940 21.761 ( -0.671 -0.000 -1.865) 1.981 21.768 ( -2.026 -0.000 1.812) 2.718 ======================= Grid point 300 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -29.167 6.784 4.879) 30.340 1.777 ( -20.730 -11.230 21.713) 32.052 2.573 ( -5.834 11.779 1.446) 13.224 2.775 ( -7.924 -0.296 -8.016) 11.276 2.969 ( -10.657 -6.324 -23.095) 26.210 3.164 ( -34.059 -3.752 2.773) 34.377 3.630 ( -3.710 -1.793 -9.143) 10.028 3.791 ( 4.019 -3.716 10.936) 12.229 3.909 ( 2.139 1.803 5.695) 6.345 4.036 ( -10.605 0.080 -5.870) 12.122 4.104 ( -9.076 -6.916 -4.498) 12.266 4.465 ( -2.932 4.086 6.003) 7.831 4.608 ( -7.716 -3.690 11.769) 14.548 4.654 ( 4.173 0.033 -1.535) 4.447 4.769 ( 5.551 4.099 0.827) 6.950 4.911 ( -2.121 -3.840 4.243) 6.103 5.111 ( -0.727 0.062 -0.872) 1.137 5.243 ( -1.581 -2.962 -0.176) 3.362 5.413 ( 5.782 3.531 7.092) 9.808 5.664 ( -2.191 3.073 -10.200) 10.876 5.700 ( -2.562 0.654 -5.396) 6.009 5.848 ( -3.442 1.833 -0.985) 4.021 5.926 ( 3.149 1.843 0.752) 3.726 6.030 ( 9.286 0.218 -3.739) 10.013 6.196 ( 5.256 4.114 -0.157) 6.676 6.321 ( 5.051 -2.963 0.465) 5.874 6.359 ( 9.222 -2.141 1.116) 9.533 6.734 ( 4.355 0.374 6.703) 8.003 6.849 ( -4.070 7.033 -3.592) 8.885 6.972 ( 0.205 0.345 -7.621) 7.632 7.134 ( 4.057 3.075 -2.709) 5.767 7.198 ( 4.816 -1.639 -4.631) 6.879 7.306 ( -2.574 -0.794 6.670) 7.194 7.585 ( 11.174 -5.023 -9.235) 15.342 7.770 ( -1.251 4.264 11.408) 12.243 7.853 ( 1.618 0.845 -4.590) 4.940 8.037 ( -1.303 -3.077 -5.369) 6.324 8.176 ( -3.936 0.353 5.267) 6.585 8.299 ( -0.845 -3.896 6.945) 8.008 8.349 ( 2.021 -0.526 0.595) 2.171 8.773 ( 9.714 6.201 -1.375) 11.606 8.945 ( 2.049 -4.554 -0.721) 5.045 9.249 ( -13.952 1.123 -1.317) 14.059 9.385 ( -15.733 -0.023 0.850) 15.756 9.795 ( 5.163 -1.374 -7.216) 8.979 10.015 ( -1.493 -0.407 4.232) 4.506 10.239 ( -0.264 0.392 3.568) 3.600 10.648 ( 0.955 0.436 -4.521) 4.641 11.021 ( 0.244 -0.807 2.957) 3.075 11.046 ( -7.350 0.973 -2.801) 7.925 11.510 ( 8.354 -0.784 16.743) 18.728 11.717 ( -2.689 -1.496 -5.624) 6.411 12.447 ( 4.371 2.802 0.035) 5.193 12.644 ( -0.426 -0.327 3.056) 3.102 13.460 ( -8.030 0.146 -14.639) 16.697 13.540 ( 7.339 0.790 -2.658) 7.845 14.127 ( -1.254 -0.542 -4.456) 4.661 14.866 ( 5.359 5.552 10.256) 12.835 15.416 ( -9.042 -7.591 -0.376) 11.813 16.914 ( -23.824 7.403 31.533) 40.209 18.752 ( 26.897 6.888 -15.022) 31.568 19.233 ( 7.337 -12.009 0.854) 14.099 19.822 ( -6.032 13.417 -11.860) 18.896 21.076 ( 3.514 -3.302 3.655) 6.051 21.727 ( -0.590 0.379 -0.785) 1.052 21.783 ( -1.420 -4.939 0.184) 5.142 ======================= Grid point 310 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -18.701 -0.000 17.803) 25.820 1.552 ( -14.823 -0.000 30.049) 33.506 2.389 ( -27.516 -0.000 12.117) 30.066 2.614 ( -13.813 -0.000 -27.281) 30.579 2.674 ( -21.562 -0.000 -12.788) 25.069 2.726 ( 2.047 0.000 9.753) 9.965 3.464 ( -8.063 -0.000 -14.859) 16.906 3.774 ( -11.439 -0.000 -10.428) 15.479 3.861 ( -7.699 -0.000 -2.028) 7.962 3.925 ( 4.017 0.000 11.590) 12.266 4.022 ( 0.682 0.000 5.203) 5.247 4.443 ( -1.573 -0.000 -0.013) 1.573 4.562 ( -4.431 -0.000 13.327) 14.044 4.715 ( 1.845 0.000 -1.916) 2.660 4.753 ( -7.463 -0.000 -9.687) 12.228 4.882 ( -1.530 -0.000 8.121) 8.264 5.155 ( -5.503 -0.000 -4.952) 7.403 5.166 ( 5.709 0.000 2.322) 6.163 5.507 ( -1.694 -0.000 -5.937) 6.174 5.649 ( 7.160 0.000 1.888) 7.405 5.671 ( -0.167 -0.000 -4.887) 4.890 5.791 ( -2.101 -0.000 1.062) 2.354 5.975 ( 3.462 0.000 -5.072) 6.141 6.150 ( 4.892 0.000 -5.109) 7.074 6.316 ( 3.942 0.000 2.018) 4.428 6.366 ( 3.106 0.000 6.580) 7.277 6.524 ( 13.327 0.000 -0.648) 13.343 6.773 ( -6.702 -0.000 -1.896) 6.965 6.870 ( 4.253 0.000 9.417) 10.333 6.933 ( 0.012 0.000 -9.829) 9.829 7.093 ( -0.137 -0.000 -4.321) 4.324 7.309 ( 2.205 0.000 2.180) 3.101 7.374 ( 8.254 0.000 5.326) 9.823 7.696 ( 9.460 0.000 -7.676) 12.183 7.828 ( -0.271 -0.000 7.898) 7.903 7.873 ( 4.804 0.000 -7.972) 9.308 7.991 ( 2.788 0.000 -3.645) 4.589 8.114 ( -7.081 -0.000 5.468) 8.946 8.289 ( -2.721 -0.000 9.677) 10.052 8.378 ( 0.694 0.000 0.639) 0.943 8.889 ( -0.478 -0.000 -8.357) 8.370 8.929 ( 0.369 0.000 -2.118) 2.149 9.076 ( -7.384 -0.000 4.218) 8.504 9.135 ( -14.598 -0.000 4.616) 15.311 9.826 ( 4.147 0.000 -6.728) 7.903 9.979 ( -5.170 -0.000 4.833) 7.077 10.272 ( 1.202 0.000 5.318) 5.452 10.641 ( 1.274 0.000 -7.106) 7.219 10.929 ( -5.910 -0.000 -1.387) 6.070 11.018 ( -2.194 -0.000 3.180) 3.863 11.656 ( -1.067 -0.000 -3.643) 3.796 11.709 ( 5.225 0.000 14.888) 15.778 12.530 ( 3.836 0.000 -2.031) 4.341 12.644 ( -0.592 -0.000 1.757) 1.854 13.321 ( 1.453 0.000 -3.010) 3.342 13.648 ( 7.598 0.000 -4.882) 9.031 14.154 ( 4.769 0.000 8.858) 10.060 15.015 ( 4.245 0.000 6.842) 8.052 15.251 ( -6.452 -0.000 0.587) 6.479 16.625 ( -34.598 -0.000 27.637) 44.281 19.204 ( 24.879 0.000 -8.844) 26.404 19.207 ( 1.502 0.000 2.763) 3.145 19.815 ( 5.305 0.000 -14.264) 15.218 21.100 ( -0.280 -0.000 -4.614) 4.622 21.723 ( 0.005 0.000 -2.519) 2.519 21.727 ( -1.846 -0.000 2.139) 2.825 =================== 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 3/33000 10.0 1540.266 1397.304 1335.587 0.000 361.791 0.000 3/33000 20.0 359.150 301.404 293.610 0.000 47.096 0.000 3/33000 30.0 118.948 97.039 98.552 0.000 14.281 0.000 3/33000 40.0 56.260 44.999 46.657 0.000 6.774 0.000 3/33000 50.0 33.059 26.125 27.378 0.000 4.003 0.000 3/33000 60.0 22.236 17.462 18.405 0.000 2.693 0.000 3/33000 70.0 16.342 12.797 13.533 0.000 1.969 0.000 3/33000 80.0 12.766 9.984 10.582 0.000 1.525 0.000 3/33000 90.0 10.418 8.142 8.648 0.000 1.232 0.000 3/33000 100.0 8.783 6.859 7.301 0.000 1.026 0.000 3/33000 110.0 7.589 5.922 6.320 0.000 0.875 0.000 3/33000 120.0 6.687 5.212 5.578 0.000 0.761 0.000 3/33000 130.0 5.983 4.657 5.002 0.000 0.671 0.000 3/33000 140.0 5.421 4.213 4.542 0.000 0.599 0.000 3/33000 150.0 4.962 3.851 4.167 0.000 0.540 0.000 3/33000 160.0 4.581 3.549 3.857 0.000 0.491 0.000 3/33000 170.0 4.260 3.294 3.595 0.000 0.449 0.000 3/33000 180.0 3.985 3.076 3.372 0.000 0.413 0.000 3/33000 190.0 3.747 2.887 3.179 0.000 0.382 0.000 3/33000 200.0 3.539 2.722 3.010 0.000 0.355 0.000 3/33000 210.0 3.355 2.576 2.861 0.000 0.331 0.000 3/33000 220.0 3.191 2.446 2.728 0.000 0.310 0.000 3/33000 230.0 3.044 2.330 2.608 0.000 0.291 0.000 3/33000 240.0 2.911 2.226 2.500 0.000 0.274 0.000 3/33000 250.0 2.790 2.130 2.402 0.000 0.258 0.000 3/33000 260.0 2.680 2.044 2.312 0.000 0.244 0.000 3/33000 270.0 2.579 1.964 2.229 0.000 0.232 0.000 3/33000 280.0 2.486 1.891 2.153 0.000 0.220 0.000 3/33000 290.0 2.399 1.824 2.082 0.000 0.210 0.000 3/33000 300.0 2.319 1.761 2.016 0.000 0.200 0.000 3/33000 310.0 2.244 1.703 1.954 0.000 0.192 0.000 3/33000 320.0 2.175 1.649 1.896 0.000 0.183 0.000 3/33000 330.0 2.109 1.598 1.842 0.000 0.176 0.000 3/33000 340.0 2.048 1.550 1.791 0.000 0.169 0.000 3/33000 350.0 1.990 1.505 1.742 0.000 0.163 0.000 3/33000 360.0 1.935 1.463 1.697 0.000 0.157 0.000 3/33000 370.0 1.884 1.424 1.653 0.000 0.151 0.000 3/33000 380.0 1.835 1.386 1.612 0.000 0.146 0.000 3/33000 390.0 1.789 1.350 1.573 0.000 0.141 0.000 3/33000 400.0 1.745 1.317 1.536 0.000 0.136 0.000 3/33000 410.0 1.703 1.284 1.501 0.000 0.132 0.000 3/33000 420.0 1.663 1.254 1.467 0.000 0.128 0.000 3/33000 430.0 1.625 1.225 1.435 0.000 0.124 0.000 3/33000 440.0 1.589 1.197 1.404 0.000 0.121 0.000 3/33000 450.0 1.554 1.171 1.374 0.000 0.117 0.000 3/33000 460.0 1.521 1.145 1.346 0.000 0.114 0.000 3/33000 470.0 1.489 1.121 1.319 0.000 0.111 0.000 3/33000 480.0 1.459 1.098 1.293 0.000 0.108 0.000 3/33000 490.0 1.430 1.075 1.268 0.000 0.105 0.000 3/33000 500.0 1.402 1.054 1.243 0.000 0.103 0.000 3/33000 510.0 1.375 1.034 1.220 0.000 0.100 0.000 3/33000 520.0 1.349 1.014 1.198 0.000 0.098 0.000 3/33000 530.0 1.324 0.995 1.176 0.000 0.096 0.000 3/33000 540.0 1.300 0.976 1.155 0.000 0.094 0.000 3/33000 550.0 1.276 0.959 1.135 0.000 0.092 0.000 3/33000 560.0 1.254 0.942 1.116 0.000 0.090 0.000 3/33000 570.0 1.232 0.925 1.097 0.000 0.088 0.000 3/33000 580.0 1.211 0.910 1.079 0.000 0.086 0.000 3/33000 590.0 1.191 0.894 1.061 0.000 0.084 0.000 3/33000 600.0 1.172 0.879 1.044 0.000 0.083 0.000 3/33000 610.0 1.153 0.865 1.028 0.000 0.081 0.000 3/33000 620.0 1.134 0.851 1.012 0.000 0.080 0.000 3/33000 630.0 1.117 0.838 0.996 0.000 0.078 0.000 3/33000 640.0 1.100 0.825 0.981 0.000 0.077 0.000 3/33000 650.0 1.083 0.812 0.967 0.000 0.075 0.000 3/33000 660.0 1.067 0.800 0.953 0.000 0.074 0.000 3/33000 670.0 1.051 0.788 0.939 0.000 0.073 0.000 3/33000 680.0 1.036 0.777 0.925 0.000 0.071 0.000 3/33000 690.0 1.021 0.766 0.912 0.000 0.070 0.000 3/33000 700.0 1.007 0.755 0.900 0.000 0.069 0.000 3/33000 710.0 0.993 0.744 0.888 0.000 0.068 0.000 3/33000 720.0 0.979 0.734 0.876 0.000 0.067 0.000 3/33000 730.0 0.966 0.724 0.864 0.000 0.066 0.000 3/33000 740.0 0.953 0.714 0.853 0.000 0.065 0.000 3/33000 750.0 0.940 0.705 0.842 0.000 0.064 0.000 3/33000 760.0 0.928 0.695 0.831 0.000 0.063 0.000 3/33000 770.0 0.916 0.686 0.820 0.000 0.062 0.000 3/33000 780.0 0.905 0.678 0.810 0.000 0.061 0.000 3/33000 790.0 0.893 0.669 0.800 0.000 0.060 0.000 3/33000 800.0 0.882 0.661 0.790 0.000 0.060 0.000 3/33000 810.0 0.871 0.653 0.781 0.000 0.059 0.000 3/33000 820.0 0.861 0.645 0.771 0.000 0.058 0.000 3/33000 830.0 0.851 0.637 0.762 0.000 0.057 0.000 3/33000 840.0 0.841 0.630 0.753 0.000 0.056 0.000 3/33000 850.0 0.831 0.622 0.745 0.000 0.056 0.000 3/33000 860.0 0.821 0.615 0.736 0.000 0.055 0.000 3/33000 870.0 0.812 0.608 0.728 0.000 0.054 0.000 3/33000 880.0 0.803 0.601 0.720 0.000 0.054 0.000 3/33000 890.0 0.794 0.594 0.712 0.000 0.053 0.000 3/33000 900.0 0.785 0.588 0.704 0.000 0.052 0.000 3/33000 910.0 0.777 0.581 0.697 0.000 0.052 0.000 3/33000 920.0 0.768 0.575 0.689 0.000 0.051 0.000 3/33000 930.0 0.760 0.569 0.682 0.000 0.050 0.000 3/33000 940.0 0.752 0.563 0.675 0.000 0.050 0.000 3/33000 950.0 0.744 0.557 0.668 0.000 0.049 0.000 3/33000 960.0 0.736 0.551 0.661 0.000 0.049 0.000 3/33000 970.0 0.729 0.546 0.654 0.000 0.048 0.000 3/33000 980.0 0.722 0.540 0.648 0.000 0.048 0.000 3/33000 990.0 0.714 0.535 0.641 0.000 0.047 0.000 3/33000 1000.0 0.707 0.529 0.635 0.000 0.047 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:54:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|