----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:34:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.174998360607375 -3.157577675000000 0.000000000000000 b 4.174998360607375 3.157577675000000 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): *1 Ba 0.70431541297298 0.29568458702702 0.75000000000000 137.327 2 Ba 0.29568458702702 0.70431541297298 0.25000000000000 137.327 *3 H 0.82843502078356 0.77404887929906 0.54441671521096 1.008 4 H 0.22595112070094 0.17156497921644 0.95558328478904 1.008 5 H 0.17156497921644 0.22595112070094 0.45558328478904 1.008 6 H 0.77404887929906 0.82843502078356 0.04441671521096 1.008 *7 H 0.31261284712628 0.86560185125741 0.62991755603331 1.008 8 H 0.86560185125741 0.31261284712628 0.12991755603331 1.008 9 H 0.13439814874259 0.68738715287372 0.87008244396669 1.008 10 H 0.68738715287372 0.13439814874259 0.37008244396669 1.008 *11 O 0.65791732166271 0.69294414332977 0.53924577108034 15.999 12 O 0.30705585667023 0.34208267833729 0.96075422891966 15.999 13 O 0.34208267833729 0.30705585667023 0.46075422891966 15.999 14 O 0.69294414332977 0.65791732166271 0.03924577108034 15.999 *15 O 0.51329846399385 0.83474300821962 0.68109088743345 15.999 16 O 0.16525699178037 0.48670153600615 0.81890911256655 15.999 17 O 0.48670153600615 0.16525699178038 0.31890911256656 15.999 18 O 0.83474300821962 0.51329846399385 0.18109088743345 15.999 *19 O 0.04464030066089 0.88520710451074 0.55120854827373 15.999 20 O 0.11479289548926 0.95535969933911 0.94879145172627 15.999 21 O 0.95535969933911 0.11479289548926 0.44879145172627 15.999 22 O 0.88520710451074 0.04464030066089 0.05120854827373 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.349996721214749 0.000000000000000 0.000000000000000 b 0.000000000000000 6.315155350000000 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): *1 Ba 0.50000000000000 0.79568458702702 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.20431541297298 0.25000000000000 137.327 > 2 3 Ba 0.00000000000000 0.29568458702702 0.75000000000000 137.327 > 1 4 Ba 0.00000000000000 0.70431541297298 0.25000000000000 137.327 > 2 *5 H 0.80124195004131 0.97280692925775 0.54441671521096 1.008 > 3 6 H 0.19875804995869 0.97280692925775 0.95558328478904 1.008 > 4 7 H 0.19875804995869 0.02719307074225 0.45558328478904 1.008 > 5 8 H 0.80124195004131 0.02719307074225 0.04441671521096 1.008 > 6 *9 H 0.58910734919184 0.27649450206556 0.62991755603331 1.008 > 7 10 H 0.58910734919184 0.72350549793443 0.12991755603331 1.008 > 8 11 H 0.41089265080816 0.27649450206556 0.87008244396669 1.008 > 9 12 H 0.41089265080816 0.72350549793443 0.37008244396669 1.008 > 10 13 H 0.30124195004131 0.47280692925775 0.54441671521096 1.008 > 3 14 H 0.69875804995869 0.47280692925775 0.95558328478904 1.008 > 4 15 H 0.69875804995869 0.52719307074225 0.45558328478904 1.008 > 5 16 H 0.30124195004131 0.52719307074225 0.04441671521096 1.008 > 6 17 H 0.08910734919184 0.77649450206557 0.62991755603331 1.008 > 7 18 H 0.08910734919184 0.22350549793443 0.12991755603331 1.008 > 8 19 H 0.91089265080816 0.77649450206557 0.87008244396669 1.008 > 9 20 H 0.91089265080816 0.22350549793443 0.37008244396669 1.008 > 10 *21 O 0.67543073249624 0.01751341083353 0.53924577108034 15.999 > 11 22 O 0.32456926750376 0.01751341083353 0.96075422891966 15.999 > 12 23 O 0.32456926750376 0.98248658916647 0.46075422891966 15.999 > 13 24 O 0.67543073249624 0.98248658916647 0.03924577108034 15.999 > 14 *25 O 0.67402073610674 0.16072227211289 0.68109088743345 15.999 > 15 26 O 0.32597926389326 0.16072227211289 0.81890911256655 15.999 > 16 27 O 0.32597926389326 0.83927772788711 0.31890911256656 15.999 > 17 28 O 0.67402073610674 0.83927772788711 0.18109088743345 15.999 > 18 *29 O 0.46492370258582 0.42028340192493 0.55120854827373 15.999 > 19 30 O 0.53507629741419 0.42028340192493 0.94879145172627 15.999 > 20 31 O 0.53507629741419 0.57971659807507 0.44879145172627 15.999 > 21 32 O 0.46492370258582 0.57971659807507 0.05120854827373 15.999 > 22 33 O 0.17543073249624 0.51751341083353 0.53924577108034 15.999 > 11 34 O 0.82456926750376 0.51751341083353 0.96075422891966 15.999 > 12 35 O 0.82456926750376 0.48248658916647 0.46075422891966 15.999 > 13 36 O 0.17543073249624 0.48248658916647 0.03924577108034 15.999 > 14 37 O 0.17402073610674 0.66072227211289 0.68109088743345 15.999 > 15 38 O 0.82597926389326 0.66072227211289 0.81890911256655 15.999 > 16 39 O 0.82597926389326 0.33927772788711 0.31890911256656 15.999 > 17 40 O 0.17402073610674 0.33927772788711 0.18109088743345 15.999 > 18 41 O 0.96492370258581 0.92028340192493 0.55120854827373 15.999 > 19 42 O 0.03507629741418 0.92028340192493 0.94879145172627 15.999 > 20 43 O 0.03507629741418 0.07971659807507 0.44879145172627 15.999 > 21 44 O 0.96492370258581 0.07971659807507 0.05120854827373 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.349996721214749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.630310700000001 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): *1 Ba 0.50000000000000 0.39784229351351 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.89784229351351 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.10215770648649 0.25000000000000 137.327 > 2 4 Ba 0.50000000000000 0.60215770648649 0.25000000000000 137.327 > 2 5 Ba 0.00000000000000 0.14784229351351 0.75000000000000 137.327 > 1 6 Ba 0.00000000000000 0.64784229351351 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.35215770648649 0.25000000000000 137.327 > 2 8 Ba 0.00000000000000 0.85215770648649 0.25000000000000 137.327 > 2 *9 H 0.80124195004131 0.48640346462887 0.54441671521096 1.008 > 3 10 H 0.80124195004131 0.98640346462887 0.54441671521096 1.008 > 3 11 H 0.19875804995869 0.48640346462887 0.95558328478904 1.008 > 4 12 H 0.19875804995869 0.98640346462887 0.95558328478904 1.008 > 4 13 H 0.19875804995869 0.01359653537113 0.45558328478904 1.008 > 5 14 H 0.19875804995869 0.51359653537113 0.45558328478904 1.008 > 5 15 H 0.80124195004131 0.01359653537113 0.04441671521096 1.008 > 6 16 H 0.80124195004131 0.51359653537113 0.04441671521096 1.008 > 6 *17 H 0.58910734919184 0.13824725103278 0.62991755603331 1.008 > 7 18 H 0.58910734919184 0.63824725103278 0.62991755603331 1.008 > 7 19 H 0.58910734919184 0.36175274896722 0.12991755603331 1.008 > 8 20 H 0.58910734919184 0.86175274896722 0.12991755603331 1.008 > 8 21 H 0.41089265080816 0.13824725103278 0.87008244396669 1.008 > 9 22 H 0.41089265080816 0.63824725103278 0.87008244396669 1.008 > 9 23 H 0.41089265080816 0.36175274896722 0.37008244396669 1.008 > 10 24 H 0.41089265080816 0.86175274896722 0.37008244396669 1.008 > 10 25 H 0.30124195004131 0.23640346462887 0.54441671521096 1.008 > 3 26 H 0.30124195004131 0.73640346462887 0.54441671521096 1.008 > 3 27 H 0.69875804995869 0.23640346462887 0.95558328478904 1.008 > 4 28 H 0.69875804995869 0.73640346462887 0.95558328478904 1.008 > 4 29 H 0.69875804995869 0.26359653537113 0.45558328478904 1.008 > 5 30 H 0.69875804995869 0.76359653537113 0.45558328478904 1.008 > 5 31 H 0.30124195004131 0.26359653537113 0.04441671521096 1.008 > 6 32 H 0.30124195004131 0.76359653537113 0.04441671521096 1.008 > 6 33 H 0.08910734919184 0.38824725103278 0.62991755603331 1.008 > 7 34 H 0.08910734919184 0.88824725103278 0.62991755603331 1.008 > 7 35 H 0.08910734919184 0.11175274896722 0.12991755603331 1.008 > 8 36 H 0.08910734919184 0.61175274896722 0.12991755603331 1.008 > 8 37 H 0.91089265080816 0.38824725103278 0.87008244396669 1.008 > 9 38 H 0.91089265080816 0.88824725103278 0.87008244396669 1.008 > 9 39 H 0.91089265080816 0.11175274896722 0.37008244396669 1.008 > 10 40 H 0.91089265080816 0.61175274896722 0.37008244396669 1.008 > 10 *41 O 0.67543073249624 0.00875670541677 0.53924577108034 15.999 > 11 42 O 0.67543073249624 0.50875670541677 0.53924577108034 15.999 > 11 43 O 0.32456926750376 0.00875670541677 0.96075422891966 15.999 > 12 44 O 0.32456926750376 0.50875670541677 0.96075422891966 15.999 > 12 45 O 0.32456926750376 0.49124329458323 0.46075422891966 15.999 > 13 46 O 0.32456926750376 0.99124329458323 0.46075422891966 15.999 > 13 47 O 0.67543073249624 0.49124329458323 0.03924577108034 15.999 > 14 48 O 0.67543073249624 0.99124329458323 0.03924577108034 15.999 > 14 *49 O 0.67402073610674 0.08036113605644 0.68109088743345 15.999 > 15 50 O 0.67402073610674 0.58036113605644 0.68109088743345 15.999 > 15 51 O 0.32597926389326 0.08036113605644 0.81890911256655 15.999 > 16 52 O 0.32597926389326 0.58036113605644 0.81890911256655 15.999 > 16 53 O 0.32597926389326 0.41963886394356 0.31890911256656 15.999 > 17 54 O 0.32597926389326 0.91963886394356 0.31890911256656 15.999 > 17 55 O 0.67402073610674 0.41963886394356 0.18109088743345 15.999 > 18 56 O 0.67402073610674 0.91963886394356 0.18109088743345 15.999 > 18 *57 O 0.46492370258582 0.21014170096246 0.55120854827373 15.999 > 19 58 O 0.46492370258582 0.71014170096246 0.55120854827373 15.999 > 19 59 O 0.53507629741419 0.21014170096246 0.94879145172627 15.999 > 20 60 O 0.53507629741419 0.71014170096246 0.94879145172627 15.999 > 20 61 O 0.53507629741419 0.28985829903754 0.44879145172627 15.999 > 21 62 O 0.53507629741419 0.78985829903754 0.44879145172627 15.999 > 21 63 O 0.46492370258582 0.28985829903754 0.05120854827373 15.999 > 22 64 O 0.46492370258582 0.78985829903754 0.05120854827373 15.999 > 22 65 O 0.17543073249624 0.25875670541677 0.53924577108034 15.999 > 11 66 O 0.17543073249624 0.75875670541677 0.53924577108034 15.999 > 11 67 O 0.82456926750376 0.25875670541677 0.96075422891966 15.999 > 12 68 O 0.82456926750376 0.75875670541677 0.96075422891966 15.999 > 12 69 O 0.82456926750376 0.24124329458323 0.46075422891966 15.999 > 13 70 O 0.82456926750376 0.74124329458323 0.46075422891966 15.999 > 13 71 O 0.17543073249624 0.24124329458323 0.03924577108034 15.999 > 14 72 O 0.17543073249624 0.74124329458323 0.03924577108034 15.999 > 14 73 O 0.17402073610674 0.33036113605644 0.68109088743345 15.999 > 15 74 O 0.17402073610674 0.83036113605644 0.68109088743345 15.999 > 15 75 O 0.82597926389326 0.33036113605644 0.81890911256655 15.999 > 16 76 O 0.82597926389326 0.83036113605644 0.81890911256655 15.999 > 16 77 O 0.82597926389326 0.16963886394356 0.31890911256656 15.999 > 17 78 O 0.82597926389326 0.66963886394356 0.31890911256656 15.999 > 17 79 O 0.17402073610674 0.16963886394356 0.18109088743345 15.999 > 18 80 O 0.17402073610674 0.66963886394356 0.18109088743345 15.999 > 18 81 O 0.96492370258581 0.46014170096246 0.55120854827373 15.999 > 19 82 O 0.96492370258581 0.96014170096246 0.55120854827373 15.999 > 19 83 O 0.03507629741418 0.46014170096246 0.94879145172627 15.999 > 20 84 O 0.03507629741418 0.96014170096246 0.94879145172627 15.999 > 20 85 O 0.03507629741418 0.03985829903754 0.44879145172627 15.999 > 21 86 O 0.03507629741418 0.53985829903754 0.44879145172627 15.999 > 21 87 O 0.96492370258581 0.03985829903754 0.05120854827373 15.999 > 22 88 O 0.96492370258581 0.53985829903754 0.05120854827373 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0375442 0.0000000 -0.0454079 0.0000000 3.0311880 0.0000000 -0.0454082 0.0000000 2.9623088 -------------------------- Born effective charges -------------------------- 1 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 2 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 3 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 4 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 5 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 6 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 7 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 8 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 9 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 10 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 11 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 12 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 13 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 14 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 15 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 16 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 17 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 18 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 19 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 20 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 21 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 22 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 ---------------------------------------------------------------------------- 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: 10686/10686 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.597 Solver_block: 200 / 720 - Time: 0.529 Solver_block: 300 / 720 - Time: 0.530 Solver_block: 400 / 720 - Time: 0.521 Solver_block: 500 / 720 - Time: 0.528 Solver_block: 600 / 720 - Time: 0.519 Solver_block: 700 / 720 - Time: 0.523 Solver_block: 720 / 720 - Time: 0.199 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.027 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 10686/10686 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:34:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:34:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.174998360607375 -3.157577675000000 0.000000000000000 b 4.174998360607375 3.157577675000000 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): 1 Ba 0.70431541297298 0.29568458702702 0.75000000000000 137.327 2 Ba 0.29568458702702 0.70431541297298 0.25000000000000 137.327 3 H 0.82843502078356 0.77404887929906 0.54441671521096 1.008 4 H 0.22595112070094 0.17156497921644 0.95558328478904 1.008 5 H 0.17156497921644 0.22595112070094 0.45558328478904 1.008 6 H 0.77404887929906 0.82843502078356 0.04441671521096 1.008 7 H 0.31261284712628 0.86560185125741 0.62991755603331 1.008 8 H 0.86560185125741 0.31261284712628 0.12991755603331 1.008 9 H 0.13439814874259 0.68738715287372 0.87008244396669 1.008 10 H 0.68738715287372 0.13439814874259 0.37008244396669 1.008 11 O 0.65791732166271 0.69294414332977 0.53924577108034 15.999 12 O 0.30705585667023 0.34208267833729 0.96075422891966 15.999 13 O 0.34208267833729 0.30705585667023 0.46075422891966 15.999 14 O 0.69294414332977 0.65791732166271 0.03924577108034 15.999 15 O 0.51329846399385 0.83474300821962 0.68109088743345 15.999 16 O 0.16525699178037 0.48670153600615 0.81890911256655 15.999 17 O 0.48670153600615 0.16525699178038 0.31890911256656 15.999 18 O 0.83474300821962 0.51329846399385 0.18109088743345 15.999 19 O 0.04464030066089 0.88520710451074 0.55120854827373 15.999 20 O 0.11479289548926 0.95535969933911 0.94879145172627 15.999 21 O 0.95535969933911 0.11479289548926 0.44879145172627 15.999 22 O 0.88520710451074 0.04464030066089 0.05120854827373 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.349996721214749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.630310700000001 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): 1 Ba 0.50000000000000 0.39784229351351 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.89784229351351 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.10215770648649 0.25000000000000 137.327 > 3 4 Ba 0.50000000000000 0.60215770648649 0.25000000000000 137.327 > 3 5 Ba 0.00000000000000 0.14784229351351 0.75000000000000 137.327 > 1 6 Ba 0.00000000000000 0.64784229351351 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.35215770648649 0.25000000000000 137.327 > 3 8 Ba 0.00000000000000 0.85215770648649 0.25000000000000 137.327 > 3 9 H 0.80124195004131 0.48640346462887 0.54441671521096 1.008 > 9 10 H 0.80124195004131 0.98640346462887 0.54441671521096 1.008 > 9 11 H 0.19875804995869 0.48640346462887 0.95558328478904 1.008 > 11 12 H 0.19875804995869 0.98640346462887 0.95558328478904 1.008 > 11 13 H 0.19875804995869 0.01359653537113 0.45558328478904 1.008 > 13 14 H 0.19875804995869 0.51359653537113 0.45558328478904 1.008 > 13 15 H 0.80124195004131 0.01359653537113 0.04441671521096 1.008 > 15 16 H 0.80124195004131 0.51359653537113 0.04441671521096 1.008 > 15 17 H 0.58910734919184 0.13824725103278 0.62991755603331 1.008 > 17 18 H 0.58910734919184 0.63824725103278 0.62991755603331 1.008 > 17 19 H 0.58910734919184 0.36175274896722 0.12991755603331 1.008 > 19 20 H 0.58910734919184 0.86175274896722 0.12991755603331 1.008 > 19 21 H 0.41089265080816 0.13824725103278 0.87008244396669 1.008 > 21 22 H 0.41089265080816 0.63824725103278 0.87008244396669 1.008 > 21 23 H 0.41089265080816 0.36175274896722 0.37008244396669 1.008 > 23 24 H 0.41089265080816 0.86175274896722 0.37008244396669 1.008 > 23 25 H 0.30124195004131 0.23640346462887 0.54441671521096 1.008 > 9 26 H 0.30124195004131 0.73640346462887 0.54441671521096 1.008 > 9 27 H 0.69875804995869 0.23640346462887 0.95558328478904 1.008 > 11 28 H 0.69875804995869 0.73640346462887 0.95558328478904 1.008 > 11 29 H 0.69875804995869 0.26359653537113 0.45558328478904 1.008 > 13 30 H 0.69875804995869 0.76359653537113 0.45558328478904 1.008 > 13 31 H 0.30124195004131 0.26359653537113 0.04441671521096 1.008 > 15 32 H 0.30124195004131 0.76359653537113 0.04441671521096 1.008 > 15 33 H 0.08910734919184 0.38824725103278 0.62991755603331 1.008 > 17 34 H 0.08910734919184 0.88824725103278 0.62991755603331 1.008 > 17 35 H 0.08910734919184 0.11175274896722 0.12991755603331 1.008 > 19 36 H 0.08910734919184 0.61175274896722 0.12991755603331 1.008 > 19 37 H 0.91089265080816 0.38824725103278 0.87008244396669 1.008 > 21 38 H 0.91089265080816 0.88824725103278 0.87008244396669 1.008 > 21 39 H 0.91089265080816 0.11175274896722 0.37008244396669 1.008 > 23 40 H 0.91089265080816 0.61175274896722 0.37008244396669 1.008 > 23 41 O 0.67543073249624 0.00875670541677 0.53924577108034 15.999 > 41 42 O 0.67543073249624 0.50875670541677 0.53924577108034 15.999 > 41 43 O 0.32456926750376 0.00875670541677 0.96075422891966 15.999 > 43 44 O 0.32456926750376 0.50875670541677 0.96075422891966 15.999 > 43 45 O 0.32456926750376 0.49124329458323 0.46075422891966 15.999 > 45 46 O 0.32456926750376 0.99124329458323 0.46075422891966 15.999 > 45 47 O 0.67543073249624 0.49124329458323 0.03924577108034 15.999 > 47 48 O 0.67543073249624 0.99124329458323 0.03924577108034 15.999 > 47 49 O 0.67402073610674 0.08036113605644 0.68109088743345 15.999 > 49 50 O 0.67402073610674 0.58036113605644 0.68109088743345 15.999 > 49 51 O 0.32597926389326 0.08036113605644 0.81890911256655 15.999 > 51 52 O 0.32597926389326 0.58036113605644 0.81890911256655 15.999 > 51 53 O 0.32597926389326 0.41963886394356 0.31890911256656 15.999 > 53 54 O 0.32597926389326 0.91963886394356 0.31890911256656 15.999 > 53 55 O 0.67402073610674 0.41963886394356 0.18109088743345 15.999 > 55 56 O 0.67402073610674 0.91963886394356 0.18109088743345 15.999 > 55 57 O 0.46492370258582 0.21014170096246 0.55120854827373 15.999 > 57 58 O 0.46492370258582 0.71014170096246 0.55120854827373 15.999 > 57 59 O 0.53507629741419 0.21014170096246 0.94879145172627 15.999 > 59 60 O 0.53507629741419 0.71014170096246 0.94879145172627 15.999 > 59 61 O 0.53507629741419 0.28985829903754 0.44879145172627 15.999 > 61 62 O 0.53507629741419 0.78985829903754 0.44879145172627 15.999 > 61 63 O 0.46492370258582 0.28985829903754 0.05120854827373 15.999 > 63 64 O 0.46492370258582 0.78985829903754 0.05120854827373 15.999 > 63 65 O 0.17543073249624 0.25875670541677 0.53924577108034 15.999 > 41 66 O 0.17543073249624 0.75875670541677 0.53924577108034 15.999 > 41 67 O 0.82456926750376 0.25875670541677 0.96075422891966 15.999 > 43 68 O 0.82456926750376 0.75875670541677 0.96075422891966 15.999 > 43 69 O 0.82456926750376 0.24124329458323 0.46075422891966 15.999 > 45 70 O 0.82456926750376 0.74124329458323 0.46075422891966 15.999 > 45 71 O 0.17543073249624 0.24124329458323 0.03924577108034 15.999 > 47 72 O 0.17543073249624 0.74124329458323 0.03924577108034 15.999 > 47 73 O 0.17402073610674 0.33036113605644 0.68109088743345 15.999 > 49 74 O 0.17402073610674 0.83036113605644 0.68109088743345 15.999 > 49 75 O 0.82597926389326 0.33036113605644 0.81890911256655 15.999 > 51 76 O 0.82597926389326 0.83036113605644 0.81890911256655 15.999 > 51 77 O 0.82597926389326 0.16963886394356 0.31890911256656 15.999 > 53 78 O 0.82597926389326 0.66963886394356 0.31890911256656 15.999 > 53 79 O 0.17402073610674 0.16963886394356 0.18109088743345 15.999 > 55 80 O 0.17402073610674 0.66963886394356 0.18109088743345 15.999 > 55 81 O 0.96492370258581 0.46014170096246 0.55120854827373 15.999 > 57 82 O 0.96492370258581 0.96014170096246 0.55120854827373 15.999 > 57 83 O 0.03507629741418 0.46014170096246 0.94879145172627 15.999 > 59 84 O 0.03507629741418 0.96014170096246 0.94879145172627 15.999 > 59 85 O 0.03507629741418 0.03985829903754 0.44879145172627 15.999 > 61 86 O 0.03507629741418 0.53985829903754 0.44879145172627 15.999 > 61 87 O 0.96492370258581 0.03985829903754 0.05120854827373 15.999 > 63 88 O 0.96492370258581 0.53985829903754 0.05120854827373 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0375442 0.0000000 -0.0454079 0.0000000 3.0311880 0.0000000 -0.0454082 0.0000000 2.9623088 -------------------------- Born effective charges -------------------------- 1 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 2 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 3 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 4 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 5 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 6 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 7 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 8 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 9 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 10 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 11 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 12 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 13 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 14 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 15 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 16 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 17 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 18 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 19 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 20 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 21 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 22 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 17, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 57, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (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 2026-01-08 20:35:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:35:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.174998360607375 -3.157577675000000 0.000000000000000 b 4.174998360607375 3.157577675000000 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): 1 Ba 0.70431541297298 0.29568458702702 0.75000000000000 137.327 2 Ba 0.29568458702702 0.70431541297298 0.25000000000000 137.327 3 H 0.82843502078356 0.77404887929906 0.54441671521096 1.008 4 H 0.22595112070094 0.17156497921644 0.95558328478904 1.008 5 H 0.17156497921644 0.22595112070094 0.45558328478904 1.008 6 H 0.77404887929906 0.82843502078356 0.04441671521096 1.008 7 H 0.31261284712628 0.86560185125741 0.62991755603331 1.008 8 H 0.86560185125741 0.31261284712628 0.12991755603331 1.008 9 H 0.13439814874259 0.68738715287372 0.87008244396669 1.008 10 H 0.68738715287372 0.13439814874259 0.37008244396669 1.008 11 O 0.65791732166271 0.69294414332977 0.53924577108034 15.999 12 O 0.30705585667023 0.34208267833729 0.96075422891966 15.999 13 O 0.34208267833729 0.30705585667023 0.46075422891966 15.999 14 O 0.69294414332977 0.65791732166271 0.03924577108034 15.999 15 O 0.51329846399385 0.83474300821962 0.68109088743345 15.999 16 O 0.16525699178037 0.48670153600615 0.81890911256655 15.999 17 O 0.48670153600615 0.16525699178038 0.31890911256656 15.999 18 O 0.83474300821962 0.51329846399385 0.18109088743345 15.999 19 O 0.04464030066089 0.88520710451074 0.55120854827373 15.999 20 O 0.11479289548926 0.95535969933911 0.94879145172627 15.999 21 O 0.95535969933911 0.11479289548926 0.44879145172627 15.999 22 O 0.88520710451074 0.04464030066089 0.05120854827373 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.349996721214749 0.000000000000000 0.000000000000000 b 0.000000000000000 12.630310700000001 0.000000000000000 c -1.039403632374383 0.000000000000000 8.088983950795637 Atomic positions (fractional): 1 Ba 0.50000000000000 0.39784229351351 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.89784229351351 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.10215770648649 0.25000000000000 137.327 > 3 4 Ba 0.50000000000000 0.60215770648649 0.25000000000000 137.327 > 3 5 Ba 0.00000000000000 0.14784229351351 0.75000000000000 137.327 > 1 6 Ba 0.00000000000000 0.64784229351351 0.75000000000000 137.327 > 1 7 Ba 0.00000000000000 0.35215770648649 0.25000000000000 137.327 > 3 8 Ba 0.00000000000000 0.85215770648649 0.25000000000000 137.327 > 3 9 H 0.80124195004131 0.48640346462887 0.54441671521096 1.008 > 9 10 H 0.80124195004131 0.98640346462887 0.54441671521096 1.008 > 9 11 H 0.19875804995869 0.48640346462887 0.95558328478904 1.008 > 11 12 H 0.19875804995869 0.98640346462887 0.95558328478904 1.008 > 11 13 H 0.19875804995869 0.01359653537113 0.45558328478904 1.008 > 13 14 H 0.19875804995869 0.51359653537113 0.45558328478904 1.008 > 13 15 H 0.80124195004131 0.01359653537113 0.04441671521096 1.008 > 15 16 H 0.80124195004131 0.51359653537113 0.04441671521096 1.008 > 15 17 H 0.58910734919184 0.13824725103278 0.62991755603331 1.008 > 17 18 H 0.58910734919184 0.63824725103278 0.62991755603331 1.008 > 17 19 H 0.58910734919184 0.36175274896722 0.12991755603331 1.008 > 19 20 H 0.58910734919184 0.86175274896722 0.12991755603331 1.008 > 19 21 H 0.41089265080816 0.13824725103278 0.87008244396669 1.008 > 21 22 H 0.41089265080816 0.63824725103278 0.87008244396669 1.008 > 21 23 H 0.41089265080816 0.36175274896722 0.37008244396669 1.008 > 23 24 H 0.41089265080816 0.86175274896722 0.37008244396669 1.008 > 23 25 H 0.30124195004131 0.23640346462887 0.54441671521096 1.008 > 9 26 H 0.30124195004131 0.73640346462887 0.54441671521096 1.008 > 9 27 H 0.69875804995869 0.23640346462887 0.95558328478904 1.008 > 11 28 H 0.69875804995869 0.73640346462887 0.95558328478904 1.008 > 11 29 H 0.69875804995869 0.26359653537113 0.45558328478904 1.008 > 13 30 H 0.69875804995869 0.76359653537113 0.45558328478904 1.008 > 13 31 H 0.30124195004131 0.26359653537113 0.04441671521096 1.008 > 15 32 H 0.30124195004131 0.76359653537113 0.04441671521096 1.008 > 15 33 H 0.08910734919184 0.38824725103278 0.62991755603331 1.008 > 17 34 H 0.08910734919184 0.88824725103278 0.62991755603331 1.008 > 17 35 H 0.08910734919184 0.11175274896722 0.12991755603331 1.008 > 19 36 H 0.08910734919184 0.61175274896722 0.12991755603331 1.008 > 19 37 H 0.91089265080816 0.38824725103278 0.87008244396669 1.008 > 21 38 H 0.91089265080816 0.88824725103278 0.87008244396669 1.008 > 21 39 H 0.91089265080816 0.11175274896722 0.37008244396669 1.008 > 23 40 H 0.91089265080816 0.61175274896722 0.37008244396669 1.008 > 23 41 O 0.67543073249624 0.00875670541677 0.53924577108034 15.999 > 41 42 O 0.67543073249624 0.50875670541677 0.53924577108034 15.999 > 41 43 O 0.32456926750376 0.00875670541677 0.96075422891966 15.999 > 43 44 O 0.32456926750376 0.50875670541677 0.96075422891966 15.999 > 43 45 O 0.32456926750376 0.49124329458323 0.46075422891966 15.999 > 45 46 O 0.32456926750376 0.99124329458323 0.46075422891966 15.999 > 45 47 O 0.67543073249624 0.49124329458323 0.03924577108034 15.999 > 47 48 O 0.67543073249624 0.99124329458323 0.03924577108034 15.999 > 47 49 O 0.67402073610674 0.08036113605644 0.68109088743345 15.999 > 49 50 O 0.67402073610674 0.58036113605644 0.68109088743345 15.999 > 49 51 O 0.32597926389326 0.08036113605644 0.81890911256655 15.999 > 51 52 O 0.32597926389326 0.58036113605644 0.81890911256655 15.999 > 51 53 O 0.32597926389326 0.41963886394356 0.31890911256656 15.999 > 53 54 O 0.32597926389326 0.91963886394356 0.31890911256656 15.999 > 53 55 O 0.67402073610674 0.41963886394356 0.18109088743345 15.999 > 55 56 O 0.67402073610674 0.91963886394356 0.18109088743345 15.999 > 55 57 O 0.46492370258582 0.21014170096246 0.55120854827373 15.999 > 57 58 O 0.46492370258582 0.71014170096246 0.55120854827373 15.999 > 57 59 O 0.53507629741419 0.21014170096246 0.94879145172627 15.999 > 59 60 O 0.53507629741419 0.71014170096246 0.94879145172627 15.999 > 59 61 O 0.53507629741419 0.28985829903754 0.44879145172627 15.999 > 61 62 O 0.53507629741419 0.78985829903754 0.44879145172627 15.999 > 61 63 O 0.46492370258582 0.28985829903754 0.05120854827373 15.999 > 63 64 O 0.46492370258582 0.78985829903754 0.05120854827373 15.999 > 63 65 O 0.17543073249624 0.25875670541677 0.53924577108034 15.999 > 41 66 O 0.17543073249624 0.75875670541677 0.53924577108034 15.999 > 41 67 O 0.82456926750376 0.25875670541677 0.96075422891966 15.999 > 43 68 O 0.82456926750376 0.75875670541677 0.96075422891966 15.999 > 43 69 O 0.82456926750376 0.24124329458323 0.46075422891966 15.999 > 45 70 O 0.82456926750376 0.74124329458323 0.46075422891966 15.999 > 45 71 O 0.17543073249624 0.24124329458323 0.03924577108034 15.999 > 47 72 O 0.17543073249624 0.74124329458323 0.03924577108034 15.999 > 47 73 O 0.17402073610674 0.33036113605644 0.68109088743345 15.999 > 49 74 O 0.17402073610674 0.83036113605644 0.68109088743345 15.999 > 49 75 O 0.82597926389326 0.33036113605644 0.81890911256655 15.999 > 51 76 O 0.82597926389326 0.83036113605644 0.81890911256655 15.999 > 51 77 O 0.82597926389326 0.16963886394356 0.31890911256656 15.999 > 53 78 O 0.82597926389326 0.66963886394356 0.31890911256656 15.999 > 53 79 O 0.17402073610674 0.16963886394356 0.18109088743345 15.999 > 55 80 O 0.17402073610674 0.66963886394356 0.18109088743345 15.999 > 55 81 O 0.96492370258581 0.46014170096246 0.55120854827373 15.999 > 57 82 O 0.96492370258581 0.96014170096246 0.55120854827373 15.999 > 57 83 O 0.03507629741418 0.46014170096246 0.94879145172627 15.999 > 59 84 O 0.03507629741418 0.96014170096246 0.94879145172627 15.999 > 59 85 O 0.03507629741418 0.03985829903754 0.44879145172627 15.999 > 61 86 O 0.03507629741418 0.53985829903754 0.44879145172627 15.999 > 61 87 O 0.96492370258581 0.03985829903754 0.05120854827373 15.999 > 63 88 O 0.96492370258581 0.53985829903754 0.05120854827373 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0375442 0.0000000 -0.0454079 0.0000000 3.0311880 0.0000000 -0.0454082 0.0000000 2.9623088 -------------------------- Born effective charges -------------------------- 1 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 2 Ba 2.5239273 0.0000000 -0.0791294 0.0000000 2.6892020 0.0000000 0.0101580 0.0000000 2.8487125 3 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 4 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 5 H 2.0501663 -0.4637387 0.0073940 -0.5089324 0.3980999 -0.0194634 -0.2294379 0.0661690 0.2176852 6 H 2.0501663 0.4637387 0.0073940 0.5089324 0.3980999 0.0194634 -0.2294379 -0.0661690 0.2176852 7 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 8 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 9 H 0.9059312 0.7029804 0.4109990 0.8552189 1.1901820 0.5517167 0.3065562 0.3631636 0.4924846 10 H 0.9059312 -0.7029804 0.4109990 -0.8552189 1.1901820 -0.5517167 0.3065562 -0.3631636 0.4924846 11 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 12 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 13 O -1.4859787 0.1756275 0.0123064 0.2850364 -0.5824108 0.2576006 0.1589340 0.3081131 -0.6297442 14 O -1.4859787 -0.1756275 0.0123064 -0.2850364 -0.5824108 -0.2576006 0.1589340 -0.3081131 -0.6297442 15 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 16 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 17 O -1.1680236 0.2421440 -0.2075949 0.2084417 -1.1921741 0.3235497 -0.2125100 0.1466277 -0.5598233 18 O -1.1680236 -0.2421440 -0.2075949 -0.2084417 -1.1921741 -0.3235497 -0.2125100 -0.1466277 -0.5598233 19 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 20 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 21 O -1.5640589 0.5033323 -0.1835399 0.6158715 -1.1582980 -0.0159483 -0.0286212 -0.1607499 -0.9449586 22 O -1.5640589 -0.5033323 -0.1835399 -0.6158715 -1.1582980 0.0159483 -0.0286212 0.1607499 -0.9449586 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 26.950 ( 0.000 0.000 0.000) 0.000 27.041 ( 0.000 0.000 0.000) 0.000 27.047 ( 0.000 0.000 0.000) 0.000 27.048 ( 0.000 0.000 0.000) 0.000 27.650 ( 0.000 0.000 0.000) 0.000 27.779 ( 0.000 0.000 0.000) 0.000 33.209 ( 0.000 0.000 0.000) 0.000 33.982 ( 0.000 0.000 0.000) 0.000 33.985 ( 0.000 0.000 0.000) 0.000 34.988 ( 0.000 0.000 0.000) 0.000 35.596 ( 0.000 0.000 0.000) 0.000 35.870 ( 0.000 0.000 0.000) 0.000 36.824 ( 0.000 0.000 0.000) 0.000 37.050 ( 0.000 0.000 0.000) 0.000 42.224 ( 0.000 0.000 0.000) 0.000 42.390 ( 0.000 0.000 0.000) 0.000 42.681 ( 0.000 0.000 0.000) 0.000 42.867 ( 0.000 0.000 0.000) 0.000 45.511 ( 0.000 0.000 0.000) 0.000 45.655 ( 0.000 0.000 0.000) 0.000 46.819 ( 0.000 0.000 0.000) 0.000 46.889 ( 0.000 0.000 0.000) 0.000 53.090 ( 0.000 0.000 0.000) 0.000 53.215 ( 0.000 0.000 0.000) 0.000 53.620 ( 0.000 0.000 0.000) 0.000 53.736 ( 0.000 0.000 0.000) 0.000 66.513 ( 0.000 0.000 0.000) 0.000 66.901 ( 0.000 0.000 0.000) 0.000 71.809 ( 0.000 0.000 0.000) 0.000 72.191 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 12.850 -18.195 5.885) 23.039 0.517 ( 11.255 -22.885 2.176) 25.596 1.069 ( 37.331 -35.550 -3.193) 51.649 2.297 ( 1.412 0.508 -2.406) 2.836 2.372 ( 3.471 -1.298 2.342) 4.383 3.021 ( 0.105 2.508 0.130) 2.513 3.365 ( 3.012 -6.026 3.854) 7.762 3.505 ( 15.085 -5.381 4.062) 16.523 3.596 ( -1.700 -3.195 -6.194) 7.174 3.693 ( -3.370 2.055 0.846) 4.037 4.044 ( 4.282 1.492 -6.548) 7.965 4.363 ( -4.947 -1.141 -5.116) 7.208 4.434 ( -1.276 -0.582 2.781) 3.114 4.550 ( 0.051 -1.178 0.153) 1.189 4.559 ( 0.233 1.281 1.001) 1.642 4.791 ( 4.582 -2.063 1.841) 5.352 4.945 ( -2.712 -6.373 9.666) 11.892 5.017 ( 11.940 1.301 1.772) 12.141 5.438 ( 5.772 4.151 8.554) 11.123 6.134 ( -5.024 -8.270 2.070) 9.895 6.292 ( -1.106 1.106 -0.305) 1.593 6.381 ( 7.023 5.901 -12.689) 15.657 6.485 ( 2.878 1.546 -3.706) 4.941 6.746 ( -13.028 4.491 0.948) 13.813 7.129 ( 12.300 4.025 -1.966) 13.091 7.379 ( -1.576 -5.995 3.584) 7.160 7.490 ( 5.006 -0.292 1.426) 5.213 8.172 ( -6.071 -4.246 -1.039) 7.481 10.588 ( 9.569 6.328 2.407) 11.722 11.099 ( -31.080 5.290 3.506) 31.721 11.736 ( -12.024 -2.864 0.750) 12.383 11.866 ( -0.883 1.846 0.323) 2.071 12.044 ( 0.916 1.925 0.973) 2.343 13.452 ( 4.879 -4.213 -0.953) 6.516 13.733 ( 15.398 -5.966 -2.476) 16.698 14.530 ( 70.160 35.189 2.600) 78.533 26.955 ( 0.301 -0.416 -0.019) 0.513 27.037 ( -0.721 0.221 0.299) 0.811 27.047 ( 0.001 -0.038 -0.026) 0.046 27.068 ( 1.006 -0.385 -0.979) 1.456 27.640 ( -0.810 0.746 0.051) 1.102 27.765 ( -0.862 1.003 -0.013) 1.323 33.262 ( 5.785 3.095 -3.565) 7.467 33.969 ( -3.188 -0.300 6.516) 7.260 34.081 ( -1.077 -3.941 -7.570) 8.602 34.982 ( -0.631 0.352 1.062) 1.285 35.614 ( 1.798 -0.330 -2.054) 2.750 35.900 ( -1.271 -1.807 -0.048) 2.210 36.822 ( -0.374 -0.007 -0.077) 0.382 37.063 ( 0.396 -1.333 0.083) 1.393 42.250 ( 2.400 -1.214 -0.407) 2.720 42.437 ( 2.611 -2.910 1.480) 4.180 42.706 ( 2.946 -1.345 -0.074) 3.239 42.964 ( 0.603 -6.717 -0.952) 6.811 45.629 ( 8.086 3.381 -0.134) 8.765 45.795 ( 0.874 7.221 -1.786) 7.490 46.769 ( -4.453 3.929 -0.617) 5.971 46.849 ( -2.942 1.877 0.661) 3.552 53.206 ( 13.582 6.274 -0.256) 14.964 53.752 ( 6.611 -6.620 0.539) 9.372 54.022 ( 24.197 -22.040 -1.747) 32.776 59.295 ( 323.068 224.287 -8.423) 393.381 66.450 ( -2.849 6.970 7.028) 10.300 69.284 ( -60.461 -18.046 -23.998) 67.506 71.850 ( -2.244 -5.660 6.824) 9.145 72.346 ( 1.475 -16.045 3.896) 16.577 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 12.204 -16.514 6.085) 21.417 0.991 ( 10.175 -20.269 2.083) 22.775 1.948 ( 23.869 -27.005 -3.280) 36.191 2.294 ( 1.726 1.759 -4.582) 5.202 2.479 ( 8.713 -3.277 6.234) 11.204 2.991 ( 0.036 1.089 0.919) 1.425 3.352 ( -9.419 7.996 -6.565) 13.991 3.532 ( 2.326 -3.742 -0.431) 4.427 3.677 ( 1.457 -3.021 1.824) 3.818 3.901 ( 10.149 -2.864 2.906) 10.938 4.135 ( 12.608 -5.516 -2.886) 14.061 4.319 ( -0.002 1.736 -1.304) 2.172 4.459 ( -1.032 -3.190 0.880) 3.466 4.550 ( -2.092 0.135 2.642) 3.373 4.564 ( 5.564 0.101 -1.811) 5.852 4.820 ( 0.144 1.030 -1.201) 1.589 5.079 ( 3.960 -8.265 3.912) 9.965 5.223 ( 8.918 -6.996 2.520) 11.611 5.488 ( 5.467 -2.482 4.457) 7.478 6.157 ( -1.008 5.459 -7.429) 9.274 6.233 ( -1.665 1.262 0.672) 2.194 6.356 ( -7.309 2.496 0.876) 7.773 6.473 ( 5.472 -4.248 -0.961) 6.994 6.696 ( 7.958 -3.939 -2.056) 9.114 7.188 ( 7.513 2.174 -1.210) 7.914 7.461 ( 0.650 -3.494 3.658) 5.100 7.562 ( 4.652 -0.895 -1.324) 4.919 8.160 ( -3.474 -1.641 -0.951) 3.958 10.549 ( -11.308 15.853 2.451) 19.626 10.654 ( -8.927 1.687 -1.133) 9.156 11.465 ( -23.140 9.866 -0.124) 25.156 11.835 ( 3.531 3.670 0.202) 5.097 12.022 ( -5.181 -2.788 0.870) 5.947 13.549 ( 1.980 -3.468 -0.056) 3.993 14.175 ( 26.961 -14.468 -3.072) 30.751 14.868 ( 36.650 5.612 4.305) 37.327 26.970 ( 0.573 -0.726 -0.104) 0.931 27.025 ( -0.800 0.204 0.341) 0.894 27.048 ( -0.115 -0.136 0.118) 0.213 27.090 ( 1.354 -0.839 -0.623) 1.710 27.607 ( -1.636 1.555 0.076) 2.259 27.731 ( -1.252 1.475 -0.031) 1.935 33.284 ( 3.776 1.009 -1.574) 4.213 33.948 ( -2.862 -0.360 6.825) 7.410 34.121 ( 1.549 -1.962 -7.780) 8.172 34.967 ( -0.992 0.554 1.705) 2.049 35.641 ( 1.615 -0.587 -1.422) 2.230 35.924 ( 0.625 -1.794 0.273) 1.920 36.813 ( -0.876 0.184 -0.179) 0.913 37.098 ( 0.560 -2.088 0.155) 2.167 42.302 ( 2.666 -0.997 -0.505) 2.891 42.511 ( 1.111 -2.488 1.204) 2.979 42.808 ( 7.312 -4.098 -0.555) 8.401 43.162 ( 10.009 -10.857 -0.718) 14.784 45.638 ( -3.367 8.597 -1.953) 9.437 45.692 ( 2.706 -1.451 1.071) 3.252 46.567 ( -11.171 9.174 -0.427) 14.462 46.783 ( -2.951 2.244 0.372) 3.726 53.295 ( 15.019 4.492 -0.362) 15.681 53.974 ( 11.798 -6.983 -0.075) 13.710 54.959 ( 42.667 -43.494 -1.128) 60.938 59.678 ( 155.325 90.510 -6.352) 179.884 66.230 ( -7.871 14.985 9.201) 19.265 68.716 ( -35.796 8.453 -25.251) 44.614 71.942 ( -3.861 -8.660 8.636) 12.825 72.665 ( 1.394 -19.109 4.780) 19.747 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 9.807 -11.240 5.178) 15.790 1.416 ( 8.798 -18.871 3.264) 21.075 2.267 ( 0.736 2.380 -6.013) 6.509 2.355 ( 3.477 -6.306 -3.233) 7.894 2.764 ( 12.589 -6.992 10.358) 17.738 2.992 ( -0.215 0.469 -1.248) 1.350 3.113 ( -2.945 2.437 -6.300) 7.369 3.627 ( 0.063 -5.246 -1.943) 5.595 3.719 ( 1.206 -0.774 0.516) 1.523 3.946 ( 4.088 3.744 2.988) 6.297 4.295 ( -0.917 -1.645 -5.200) 5.531 4.330 ( 7.473 1.657 3.399) 8.375 4.483 ( -0.971 -1.761 0.297) 2.033 4.520 ( -1.535 0.405 1.469) 2.163 4.699 ( 7.512 -3.214 -2.141) 8.446 4.805 ( -1.070 -0.848 -0.533) 1.466 5.195 ( 0.186 0.836 3.700) 3.798 5.496 ( 8.517 -16.468 1.333) 18.588 5.630 ( 5.833 -0.886 1.383) 6.060 6.000 ( -0.693 5.750 -1.259) 5.927 6.207 ( -0.711 1.018 -0.211) 1.259 6.226 ( -3.847 4.003 -1.404) 5.727 6.693 ( 10.805 -8.138 -3.692) 14.021 7.034 ( 20.285 -16.426 0.829) 26.115 7.258 ( 6.677 -1.416 -0.761) 6.868 7.509 ( 1.458 -0.672 2.289) 2.796 7.620 ( 3.673 -0.592 -1.514) 4.017 8.140 ( -1.698 -0.147 -0.624) 1.815 9.992 ( -25.057 19.262 0.011) 31.605 10.668 ( 2.857 -0.137 0.207) 2.868 10.946 ( -27.607 15.211 0.223) 31.521 11.827 ( 5.050 3.929 0.111) 6.400 12.005 ( -6.879 -3.826 0.587) 7.893 13.622 ( 1.640 -3.036 0.021) 3.451 14.719 ( 24.319 -13.630 -2.279) 27.971 15.195 ( 21.255 -1.304 3.452) 21.573 26.989 ( 0.595 -0.629 -0.249) 0.901 27.015 ( -0.515 -0.088 0.303) 0.604 27.048 ( -0.195 -0.042 0.202) 0.284 27.125 ( 1.726 -1.381 -0.365) 2.240 27.553 ( -2.261 2.210 0.060) 3.162 27.694 ( -1.057 1.264 -0.031) 1.648 33.313 ( 2.893 0.172 -0.849) 3.020 33.934 ( -2.058 -0.346 5.399) 5.788 34.153 ( 1.614 -1.015 -6.303) 6.585 34.949 ( -0.965 0.539 1.704) 2.032 35.662 ( 0.930 -0.299 -0.941) 1.357 35.971 ( 1.762 -1.979 0.292) 2.665 36.795 ( -1.182 0.370 -0.223) 1.259 37.137 ( 0.427 -1.965 0.156) 2.017 42.334 ( 1.541 -0.059 -0.414) 1.597 42.543 ( -0.585 -1.253 0.698) 1.548 43.002 ( 10.411 -6.338 -0.535) 12.200 43.527 ( 16.137 -14.313 -0.266) 21.572 45.422 ( -8.827 7.863 -0.856) 11.852 45.759 ( 2.727 -1.468 0.536) 3.142 46.234 ( -14.324 12.269 -0.428) 18.865 46.709 ( -2.983 2.509 0.191) 3.903 53.409 ( 12.747 2.495 -0.154) 12.990 54.228 ( 12.293 -5.934 -0.308) 13.654 56.328 ( 50.285 -55.733 0.158) 75.065 60.029 ( 85.129 49.298 -4.561) 98.479 65.803 ( -14.468 22.756 6.578) 27.757 68.183 ( -21.097 9.156 -19.730) 30.302 72.046 ( -3.935 -8.402 7.654) 12.027 72.957 ( 0.573 -14.751 3.260) 15.118 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 5.231 -4.440 3.134) 7.543 1.807 ( 6.810 -17.602 4.536) 19.411 2.226 ( 1.638 3.605 -2.996) 4.965 2.384 ( -2.862 0.759 -7.297) 7.875 2.718 ( -4.356 8.088 2.660) 9.564 2.976 ( 1.174 0.730 3.597) 3.853 3.334 ( 8.888 -11.806 -1.518) 14.855 3.660 ( -3.366 -1.689 -2.235) 4.380 3.762 ( 3.647 -0.804 -1.241) 3.936 3.931 ( 2.355 3.274 3.663) 5.448 4.288 ( -0.763 0.119 -2.777) 2.882 4.352 ( 1.630 1.869 0.527) 2.535 4.501 ( -0.605 -1.143 1.777) 2.198 4.539 ( 3.652 -1.331 0.515) 3.921 4.766 ( -0.693 -0.972 -1.832) 2.187 4.828 ( 0.714 -1.925 -0.110) 2.056 5.131 ( -3.910 3.025 1.518) 5.171 5.592 ( -1.869 4.199 -0.854) 4.675 5.806 ( 2.886 -10.992 3.071) 11.772 6.020 ( 6.006 1.507 0.397) 6.205 6.136 ( -0.816 2.047 -2.784) 3.551 6.188 ( -0.355 0.569 0.064) 0.674 6.938 ( 8.436 -6.165 -1.986) 10.636 7.371 ( 4.396 -7.048 1.727) 8.484 7.499 ( 6.949 0.479 -0.016) 6.966 7.627 ( 10.387 -4.299 -1.081) 11.293 7.719 ( 14.659 -14.624 -0.401) 20.710 8.134 ( 1.342 0.151 -0.299) 1.383 9.379 ( -24.672 19.002 -0.204) 31.142 10.396 ( -22.671 13.167 0.592) 26.224 10.700 ( 1.648 -0.278 0.096) 1.674 11.829 ( 4.586 3.147 -0.017) 5.562 11.982 ( -5.862 -3.018 0.340) 6.602 13.679 ( 1.083 -1.844 0.015) 2.139 15.132 ( 15.031 -8.089 -1.476) 17.133 15.404 ( 8.790 -1.412 2.104) 9.148 26.997 ( 0.029 -0.013 -0.099) 0.104 27.021 ( 0.248 -0.679 -0.027) 0.723 27.044 ( -0.274 0.195 0.243) 0.416 27.169 ( 1.590 -1.414 -0.157) 2.133 27.491 ( -1.975 1.954 0.028) 2.778 27.669 ( -0.575 0.696 -0.015) 0.903 33.340 ( 1.675 -0.097 -0.401) 1.725 33.926 ( -1.105 -0.209 2.999) 3.202 34.172 ( 0.936 -0.397 -3.571) 3.713 34.934 ( -0.586 0.328 1.058) 1.253 35.671 ( 0.360 -0.082 -0.449) 0.582 36.020 ( 1.498 -1.356 0.174) 2.028 36.776 ( -0.903 0.323 -0.157) 0.972 37.166 ( 0.196 -1.151 0.092) 1.171 42.344 ( 0.639 0.226 -0.220) 0.713 42.549 ( -0.654 -0.536 0.273) 0.889 43.218 ( 8.369 -5.248 -0.256) 9.881 43.946 ( 14.980 -12.534 -0.007) 19.532 45.209 ( -7.106 5.572 -0.467) 9.042 45.724 ( -9.425 5.479 0.417) 10.910 45.947 ( -2.710 4.639 -0.370) 5.386 46.641 ( -2.090 1.818 0.097) 2.772 53.505 ( 7.243 0.964 -0.010) 7.307 54.427 ( 7.661 -3.419 -0.233) 8.393 57.792 ( 41.561 -53.966 0.940) 68.122 60.048 ( 31.677 37.579 -2.227) 49.200 65.274 ( -13.168 19.432 1.695) 23.534 67.882 ( -8.711 3.981 -9.642) 13.591 72.126 ( -2.445 -5.088 4.485) 7.210 73.143 ( 0.055 -7.769 1.457) 7.905 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 -0.000 0.000) 0.000 2.113 ( 0.000 -0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.306 ( -0.000 0.000 -0.000) 0.000 2.626 ( 0.000 -0.000 -0.000) 0.000 2.980 ( 0.000 -0.000 0.000) 0.000 3.509 ( 0.000 -0.000 0.000) 0.000 3.627 ( 0.000 -0.000 0.000) 0.000 3.794 ( 0.000 -0.000 -0.000) 0.000 3.920 ( 0.000 -0.000 0.000) 0.000 4.277 ( 0.000 -0.000 0.000) 0.000 4.344 ( 0.000 -0.000 -0.000) 0.000 4.508 ( 0.000 -0.000 0.000) 0.000 4.598 ( 0.000 -0.000 0.000) 0.000 4.748 ( 0.000 -0.000 0.000) 0.000 4.857 ( 0.000 -0.000 0.000) 0.000 5.069 ( 0.000 -0.000 0.000) 0.000 5.541 ( 0.000 -0.000 0.000) 0.000 5.950 ( 0.000 0.000 -0.000) 0.000 5.976 ( 0.000 -0.000 0.000) 0.000 6.146 ( 0.000 -0.000 -0.000) 0.000 6.178 ( 0.000 0.000 -0.000) 0.000 7.033 ( 0.000 -0.000 -0.000) 0.000 7.462 ( 0.000 -0.000 0.000) 0.000 7.537 ( -0.000 -0.000 -0.000) 0.000 7.671 ( 0.000 -0.000 0.000) 0.000 8.119 ( -0.000 0.000 -0.000) 0.000 8.145 ( 0.000 -0.000 -0.000) 0.000 8.974 ( 0.000 -0.000 0.000) 0.000 10.123 ( 0.000 -0.000 0.000) 0.000 10.712 ( 0.000 -0.000 0.000) 0.000 11.833 ( 0.000 0.000 -0.000) 0.000 11.969 ( -0.000 -0.000 0.000) 0.000 13.701 ( 0.000 -0.000 0.000) 0.000 15.295 ( -0.000 -0.000 0.000) 0.000 15.463 ( 0.000 -0.000 0.000) 0.000 26.996 ( 0.000 -0.000 -0.000) 0.000 27.033 ( 0.000 -0.000 -0.000) 0.000 27.037 ( -0.000 0.000 0.000) 0.000 27.193 ( 0.000 -0.000 -0.000) 0.000 27.460 ( 0.000 -0.000 0.000) 0.000 27.659 ( 0.000 -0.000 0.000) 0.000 33.351 ( 0.000 -0.000 0.000) 0.000 33.923 ( 0.000 -0.000 0.000) 0.000 34.178 ( 0.000 -0.000 0.000) 0.000 34.929 ( 0.000 -0.000 0.000) 0.000 35.673 ( 0.000 -0.000 0.000) 0.000 36.041 ( 0.000 -0.000 -0.000) 0.000 36.767 ( 0.000 -0.000 0.000) 0.000 37.177 ( 0.000 -0.000 0.000) 0.000 42.346 ( 0.000 -0.000 0.000) 0.000 42.549 ( 0.000 -0.000 0.000) 0.000 43.318 ( 0.000 -0.000 -0.000) 0.000 44.166 ( -0.000 -0.000 -0.000) 0.000 45.116 ( 0.000 -0.000 -0.000) 0.000 45.559 ( 0.000 -0.000 0.000) 0.000 45.927 ( 0.000 -0.000 -0.000) 0.000 46.613 ( 0.000 -0.000 0.000) 0.000 53.542 ( 0.000 -0.000 0.000) 0.000 54.502 ( 0.000 -0.000 0.000) 0.000 58.664 ( 0.000 -0.000 -0.000) 0.000 59.772 ( 0.000 -0.000 0.000) 0.000 65.020 ( 0.000 -0.000 0.000) 0.000 67.795 ( 0.000 -0.000 0.000) 0.000 72.156 ( 0.000 -0.000 0.000) 0.000 73.207 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 21.075 -0.000 9.202) 22.996 0.732 ( 29.005 -0.000 -3.268) 29.188 1.329 ( 50.725 -0.000 -2.181) 50.772 2.335 ( 4.111 -0.000 -2.179) 4.653 2.423 ( 6.220 -0.000 3.249) 7.018 3.235 ( 5.100 -0.000 0.628) 5.139 3.335 ( 10.465 -0.000 4.270) 11.302 3.564 ( -1.095 0.000 -0.455) 1.186 3.580 ( -7.816 0.000 -7.224) 10.643 3.648 ( 18.311 -0.000 1.788) 18.398 4.081 ( 2.937 -0.000 -3.386) 4.483 4.282 ( 0.746 -0.000 1.909) 2.050 4.466 ( 0.558 -0.000 0.212) 0.597 4.554 ( 2.344 -0.000 5.034) 5.553 4.606 ( 2.482 -0.000 -3.755) 4.501 4.795 ( -5.350 0.000 1.548) 5.570 4.886 ( 12.033 -0.000 5.340) 13.164 5.223 ( 13.382 -0.000 1.321) 13.447 5.521 ( -4.551 0.000 10.143) 11.117 5.985 ( -0.403 0.000 -1.491) 1.545 6.290 ( -0.719 0.000 -0.734) 1.027 6.463 ( -0.700 0.000 1.424) 1.586 6.503 ( 4.286 -0.000 -17.738) 18.249 6.589 ( -15.296 0.000 1.505) 15.370 7.262 ( -5.114 0.000 4.280) 6.669 7.346 ( 13.250 -0.000 -1.250) 13.308 7.553 ( 5.058 -0.000 1.705) 5.338 8.097 ( -0.319 0.000 1.106) 1.151 10.811 ( 1.954 -0.000 -2.889) 3.488 10.950 ( -13.687 0.000 4.693) 14.470 11.485 ( -15.813 0.000 -0.829) 15.834 11.759 ( -11.448 0.000 1.927) 11.609 12.318 ( 18.343 -0.000 1.108) 18.376 13.601 ( 18.038 -0.000 -0.008) 18.038 13.771 ( 12.803 -0.000 1.388) 12.878 15.328 ( 6.982 -0.000 -5.320) 8.778 26.954 ( 0.417 -0.000 -0.215) 0.469 27.030 ( -0.838 0.000 0.383) 0.921 27.044 ( -0.253 0.000 0.199) 0.322 27.077 ( 1.179 -0.000 -1.376) 1.812 27.629 ( -1.725 0.000 0.079) 1.727 27.757 ( -1.782 0.000 -0.024) 1.782 33.346 ( 2.496 -0.000 -4.852) 5.456 33.929 ( -3.140 0.000 9.658) 10.156 34.051 ( 4.266 -0.000 -10.603) 11.429 34.978 ( -1.118 0.000 1.875) 2.184 35.637 ( 2.658 -0.000 -2.897) 3.931 35.879 ( 0.751 -0.000 0.631) 0.981 36.816 ( -0.583 0.000 -0.197) 0.616 37.050 ( -0.099 0.000 0.422) 0.433 42.287 ( 5.464 -0.000 -0.088) 5.465 42.481 ( 7.402 -0.000 0.019) 7.402 42.743 ( 5.130 -0.000 0.055) 5.130 42.948 ( 6.602 -0.000 0.562) 6.626 45.667 ( -0.240 0.000 2.068) 2.082 45.876 ( -4.605 0.000 -4.485) 6.428 46.741 ( -6.230 0.000 -1.646) 6.444 46.785 ( -8.877 0.000 1.681) 9.035 53.723 ( 37.538 -0.000 -0.656) 37.544 53.888 ( 22.220 -0.000 1.337) 22.261 54.221 ( 43.626 -0.000 -7.275) 44.228 65.608 ( 3.583 -0.000 -158.459) 158.499 66.705 ( -19.693 0.000 92.958) 95.021 66.755 ( -12.733 0.000 3.847) 13.301 71.681 ( -10.233 0.000 -1.890) 10.406 72.245 ( 3.233 -0.000 7.511) 8.178 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 18.532 -9.899 7.986) 22.477 1.083 ( 26.243 -3.348 -1.739) 26.513 1.977 ( 33.736 -11.699 -4.020) 35.933 2.365 ( 4.388 2.433 -2.884) 5.787 2.545 ( 9.302 -3.238 6.619) 11.867 3.188 ( 11.203 11.775 0.862) 16.276 3.346 ( -9.977 7.412 -6.611) 14.078 3.466 ( -2.493 -3.727 0.495) 4.511 3.622 ( 1.754 -5.448 -1.381) 5.887 3.983 ( 10.767 -4.983 1.232) 11.928 4.135 ( 3.586 -4.020 -1.505) 5.593 4.356 ( 9.473 -1.080 4.102) 10.379 4.470 ( 0.993 0.432 0.033) 1.083 4.583 ( 3.689 3.315 1.806) 5.278 4.618 ( 4.528 -0.743 -0.770) 4.652 4.816 ( 1.175 -4.680 -1.349) 5.010 5.059 ( 13.463 -0.985 3.799) 14.023 5.339 ( 5.348 5.277 2.844) 8.033 5.512 ( 6.997 -4.075 3.314) 8.749 6.091 ( -0.058 -10.736 -3.997) 11.456 6.262 ( -0.925 3.392 -0.229) 3.524 6.319 ( -9.780 7.093 -0.590) 12.096 6.466 ( 2.645 -1.536 -1.878) 3.589 6.655 ( 5.130 -9.227 -5.267) 11.798 7.214 ( -4.001 -1.067 3.749) 5.586 7.487 ( 8.208 -0.520 -0.653) 8.251 7.620 ( 5.564 0.101 0.659) 5.603 8.111 ( 0.605 -0.944 0.282) 1.156 10.563 ( -20.760 15.818 -0.197) 26.100 10.798 ( -0.813 3.364 0.020) 3.461 11.322 ( -19.283 1.020 -0.310) 19.312 11.569 ( -18.077 -2.012 1.587) 18.257 12.440 ( 26.950 17.328 -0.728) 32.048 13.706 ( 17.030 8.295 0.656) 18.954 14.191 ( 22.416 -18.110 0.610) 28.824 15.335 ( 15.176 7.885 -1.516) 17.170 26.966 ( 0.693 -0.589 -0.265) 0.948 27.020 ( -0.653 0.202 0.375) 0.779 27.043 ( -0.253 -0.189 0.245) 0.400 27.093 ( 1.223 -0.541 -0.910) 1.617 27.600 ( -2.384 0.624 0.122) 2.468 27.725 ( -2.403 0.642 -0.061) 2.488 33.355 ( 3.548 1.899 -2.526) 4.752 33.915 ( -2.794 -0.642 8.435) 8.909 34.102 ( 3.353 -1.830 -9.776) 10.495 34.962 ( -1.468 0.293 2.447) 2.868 35.665 ( 2.930 0.356 -2.166) 3.661 35.906 ( 1.196 -1.615 0.667) 2.117 36.805 ( -0.890 0.235 -0.319) 0.975 37.065 ( -0.354 -1.907 0.493) 2.001 42.363 ( 7.463 0.917 -0.321) 7.526 42.567 ( 8.140 2.186 0.250) 8.432 42.843 ( 8.264 -3.000 -0.526) 8.808 43.125 ( 11.176 -9.108 0.452) 14.424 45.636 ( -5.950 2.888 1.970) 6.901 45.767 ( -1.958 3.112 -3.135) 4.832 46.555 ( -12.828 7.446 -0.146) 14.833 46.709 ( -8.912 -2.479 0.157) 9.252 53.827 ( 29.728 20.972 0.129) 36.381 54.569 ( 61.801 5.276 2.604) 62.081 54.876 ( 48.007 -23.265 -8.125) 53.962 63.249 ( 59.826 161.844 -32.006) 175.491 66.354 ( -8.307 10.068 16.004) 20.652 67.795 ( -51.288 -53.585 -21.237) 77.155 71.658 ( -13.613 -13.620 1.587) 19.322 72.427 ( 3.245 -14.299 8.894) 17.149 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 15.163 -12.956 7.102) 21.171 1.438 ( 23.157 -3.584 -0.294) 23.435 2.298 ( 5.045 3.309 -9.563) 11.307 2.417 ( 10.908 -1.066 -0.175) 10.962 2.800 ( 12.043 -8.869 9.439) 17.686 3.093 ( -8.549 4.990 -4.874) 11.034 3.156 ( 12.129 11.754 -0.326) 16.893 3.491 ( -5.145 -6.018 -1.994) 8.165 3.726 ( 3.613 -3.144 -0.954) 4.884 4.036 ( 1.342 2.087 3.310) 4.137 4.205 ( -2.301 -3.164 -3.950) 5.559 4.450 ( 1.009 0.890 2.384) 2.738 4.489 ( 4.760 0.540 3.310) 5.823 4.568 ( 4.002 3.116 -1.069) 5.183 4.697 ( 0.772 -1.887 -1.249) 2.391 4.931 ( 16.486 6.546 -0.196) 17.739 5.228 ( -0.758 2.291 2.627) 3.567 5.372 ( 10.118 -12.563 1.912) 16.244 5.690 ( 6.476 -1.383 1.585) 6.809 6.075 ( -3.012 6.637 0.558) 7.310 6.200 ( -1.371 -1.933 -1.866) 3.017 6.242 ( 0.923 2.261 -2.202) 3.288 6.629 ( 7.090 -11.247 -4.796) 14.134 6.995 ( 18.617 -17.685 -0.691) 25.687 7.216 ( -3.081 -4.390 3.017) 6.154 7.553 ( 3.297 0.661 -0.319) 3.378 7.684 ( 6.074 0.568 0.743) 6.145 8.140 ( 3.355 0.162 -0.649) 3.421 10.001 ( -24.693 19.543 -0.452) 31.494 10.702 ( -10.984 3.887 -0.139) 11.653 10.944 ( -14.938 12.403 0.591) 19.425 11.485 ( -17.960 -11.857 1.075) 21.548 12.451 ( 28.381 22.007 -0.953) 35.926 13.790 ( 17.945 8.063 0.286) 19.676 14.740 ( 20.575 -16.234 0.336) 26.210 15.434 ( 13.018 2.773 0.050) 13.310 26.986 ( 0.861 -0.719 -0.353) 1.176 27.010 ( -0.385 0.156 0.337) 0.535 27.044 ( -0.197 -0.187 0.252) 0.371 27.122 ( 1.403 -1.269 -0.523) 1.963 27.552 ( -2.819 1.460 0.130) 3.177 27.686 ( -2.467 0.452 -0.084) 2.510 33.367 ( 3.505 1.632 -1.378) 4.105 33.908 ( -2.144 -0.730 6.784) 7.152 34.148 ( 2.505 -1.207 -8.157) 8.618 34.943 ( -1.496 0.259 2.460) 2.891 35.684 ( 2.305 0.855 -1.435) 2.847 35.957 ( 1.756 -2.273 0.496) 2.915 36.787 ( -1.058 0.403 -0.409) 1.203 37.098 ( -0.621 -2.719 0.461) 2.827 42.417 ( 7.402 3.569 -0.505) 8.233 42.604 ( 6.907 4.056 0.541) 8.029 43.032 ( 10.850 -5.773 -0.682) 12.309 43.486 ( 15.752 -14.693 0.291) 21.543 45.433 ( -9.972 7.770 -0.341) 12.646 45.750 ( -2.005 -1.373 -0.140) 2.434 46.235 ( -15.467 10.179 0.109) 18.516 46.637 ( -9.117 -2.256 -0.205) 9.394 53.853 ( 27.987 19.580 -0.051) 34.156 55.001 ( 69.439 34.558 -1.623) 77.580 56.110 ( 51.959 -49.261 -0.262) 71.600 61.923 ( 40.632 89.620 -13.109) 99.270 65.996 ( -14.257 21.125 11.034) 27.772 67.710 ( -39.083 -19.106 -23.413) 49.403 71.759 ( -12.210 -17.378 4.085) 21.628 72.730 ( 2.366 -16.629 6.611) 18.051 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 10.107 -13.488 5.378) 17.692 1.731 ( 23.247 2.648 2.138) 23.494 2.233 ( 0.017 3.086 -9.864) 10.335 2.487 ( 5.945 5.882 -0.373) 8.371 2.793 ( -5.135 7.951 1.453) 9.576 3.112 ( 8.848 9.198 2.896) 13.087 3.213 ( 5.415 -12.829 -0.204) 13.927 3.527 ( -4.464 -5.818 -2.348) 7.700 3.800 ( 3.652 -0.850 -1.599) 4.077 4.012 ( 0.281 2.676 3.431) 4.360 4.198 ( -5.112 -3.072 -5.310) 7.985 4.421 ( -0.501 2.684 2.246) 3.535 4.526 ( 3.413 1.809 4.860) 6.208 4.600 ( 4.899 0.015 -2.577) 5.536 4.706 ( -2.137 -1.244 0.151) 2.478 4.995 ( 17.333 9.430 -0.937) 19.755 5.139 ( -4.147 3.205 2.113) 5.651 5.649 ( -1.625 0.903 3.980) 4.393 5.695 ( 5.816 -5.146 -1.919) 8.000 6.065 ( 3.042 -2.378 0.937) 3.973 6.173 ( -1.325 2.737 -3.360) 4.531 6.212 ( 2.270 2.768 -1.310) 3.812 6.885 ( 4.711 -9.787 -2.141) 11.071 7.265 ( -0.732 -7.232 1.277) 7.380 7.548 ( 0.474 -0.075 -0.104) 0.491 7.620 ( 20.507 -18.939 -0.176) 27.915 7.755 ( 8.738 -0.793 1.395) 8.885 8.187 ( 6.335 1.353 -0.998) 6.554 9.381 ( -25.476 19.134 -0.419) 31.864 10.330 ( -19.064 10.804 0.126) 21.913 10.777 ( -1.638 2.072 0.543) 2.696 11.472 ( -17.432 -12.719 0.933) 21.599 12.440 ( 27.939 21.503 -0.768) 35.264 13.868 ( 17.923 9.615 -0.054) 20.339 15.145 ( 11.201 -9.407 0.801) 14.650 15.511 ( 5.892 2.542 -0.347) 6.427 26.999 ( 0.310 0.119 -0.159) 0.368 27.013 ( 0.341 -0.681 0.028) 0.762 27.044 ( -0.120 0.021 0.239) 0.269 27.162 ( 1.265 -1.579 -0.254) 2.039 27.493 ( -2.538 1.606 0.099) 3.005 27.656 ( -2.107 -0.186 -0.070) 2.116 33.378 ( 2.530 1.564 -0.749) 3.067 33.908 ( -1.347 -0.803 4.694) 4.949 34.175 ( 1.657 -0.353 -5.760) 6.004 34.928 ( -1.183 -0.011 1.869) 2.212 35.691 ( 1.702 1.083 -0.824) 2.179 36.011 ( 1.186 -1.778 0.301) 2.159 36.770 ( -0.660 0.225 -0.377) 0.793 37.132 ( -0.837 -2.567 0.361) 2.724 42.431 ( 6.666 5.034 -0.372) 8.362 42.619 ( 7.058 4.454 0.306) 8.352 43.242 ( 8.578 -4.488 -0.346) 9.688 43.911 ( 14.192 -13.765 0.184) 19.771 45.209 ( -7.612 5.633 -0.475) 9.482 45.675 ( -10.795 3.430 0.419) 11.335 45.958 ( -7.071 3.769 0.079) 8.013 46.570 ( -8.331 -2.856 -0.310) 8.812 53.866 ( 25.632 19.623 -0.251) 32.282 55.182 ( 61.122 40.709 -1.113) 73.446 57.505 ( 45.211 -48.159 2.024) 66.086 61.043 ( 4.276 60.180 -5.231) 60.558 65.439 ( -16.355 23.221 3.349) 28.599 67.552 ( -26.639 -15.807 -14.026) 34.004 71.910 ( -8.242 -15.782 3.609) 18.166 72.999 ( 1.979 -12.519 3.244) 13.083 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 19.695 15.317 -1.127) 24.975 1.946 ( 3.210 -11.223 2.227) 11.884 2.273 ( 4.513 -6.871 -1.475) 8.352 2.345 ( 0.227 14.561 -1.461) 14.636 2.662 ( -1.571 4.012 0.150) 4.311 3.075 ( 7.997 7.615 -0.021) 11.043 3.415 ( -2.685 -7.791 2.083) 8.500 3.555 ( -2.336 -4.301 -0.892) 4.976 3.823 ( 1.120 1.647 -2.025) 2.840 3.965 ( -0.290 3.762 0.759) 3.848 4.183 ( -5.536 -4.585 -3.653) 8.063 4.381 ( 0.492 2.425 2.720) 3.677 4.536 ( 1.711 1.538 3.579) 4.254 4.620 ( 0.117 1.698 -4.042) 4.386 4.714 ( -0.685 -2.191 2.566) 3.443 5.032 ( 4.926 7.865 -0.343) 9.287 5.092 ( 11.471 3.006 0.315) 11.863 5.577 ( 1.034 3.574 2.307) 4.378 5.843 ( 0.157 -6.632 0.940) 6.700 6.080 ( -0.383 6.324 -3.924) 7.452 6.125 ( -0.523 -1.660 -0.478) 1.805 6.203 ( 2.198 1.788 -0.482) 2.874 6.984 ( -4.089 -2.905 0.858) 5.089 7.381 ( -1.992 -6.455 -2.429) 7.179 7.502 ( -4.653 0.909 1.762) 5.058 7.730 ( 0.352 4.220 1.839) 4.617 8.093 ( 1.236 -2.282 -1.092) 2.816 8.212 ( 1.970 4.890 0.338) 5.283 8.959 ( -1.764 -0.481 -0.028) 1.829 10.134 ( 3.711 -1.550 -0.555) 4.060 10.751 ( -1.264 -0.427 0.538) 1.439 11.470 ( -15.766 -12.040 0.796) 19.853 12.441 ( 27.402 20.106 -0.578) 33.992 13.907 ( 16.650 11.629 -0.309) 20.311 15.264 ( -5.237 0.310 1.997) 5.614 15.494 ( 0.279 3.580 -1.902) 4.064 26.999 ( 0.232 0.182 0.019) 0.296 27.028 ( 0.112 -0.555 -0.155) 0.587 27.041 ( 0.202 0.291 0.152) 0.385 27.189 ( -0.176 -0.471 -0.092) 0.512 27.457 ( -0.685 0.037 0.065) 0.689 27.642 ( -1.570 -0.912 -0.047) 1.816 33.372 ( 0.983 1.783 -0.292) 2.057 33.915 ( -0.419 -0.796 2.146) 2.326 34.183 ( 0.766 0.277 -2.661) 2.783 34.922 ( -0.630 -0.389 0.870) 1.142 35.690 ( 1.333 1.125 -0.355) 1.779 36.034 ( -0.433 -0.457 0.112) 0.640 36.767 ( 0.282 -0.206 -0.228) 0.417 37.157 ( -0.975 -1.744 0.240) 2.012 42.424 ( 5.938 5.205 -0.124) 7.897 42.635 ( 7.793 4.849 0.021) 9.179 43.327 ( -0.059 1.168 -0.023) 1.169 44.147 ( -0.736 -1.813 -0.007) 1.957 45.112 ( -0.325 -0.193 -0.125) 0.398 45.538 ( -0.957 -2.058 0.403) 2.305 45.896 ( -4.177 -1.096 0.159) 4.322 46.539 ( -6.236 -4.524 -0.374) 7.713 53.839 ( 23.789 21.113 -0.341) 31.809 55.181 ( 49.209 42.466 -0.482) 65.001 58.529 ( 16.113 -25.988 2.202) 30.657 60.001 ( -31.044 49.133 -1.937) 58.151 65.036 ( -6.036 6.775 0.476) 9.086 67.535 ( -18.090 -17.648 -4.926) 25.748 72.053 ( -3.981 -10.574 0.979) 11.341 73.174 ( 2.022 -5.956 0.799) 6.341 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 9.644 18.029 -5.271) 21.115 2.039 ( -1.668 17.910 -2.630) 18.179 2.118 ( 1.589 -5.692 2.069) 6.261 2.507 ( 10.744 0.315 11.287) 15.587 2.606 ( -2.860 -6.081 -8.046) 10.484 3.076 ( 11.264 6.782 -0.434) 13.156 3.347 ( -10.723 5.113 2.749) 12.194 3.634 ( 0.089 -5.505 0.041) 5.506 3.773 ( -1.373 3.721 -0.112) 3.968 3.896 ( -1.903 2.250 -4.720) 5.564 4.200 ( -4.319 -4.960 -0.932) 6.642 4.361 ( 0.089 1.729 3.670) 4.058 4.535 ( 1.211 0.905 0.508) 1.595 4.577 ( 1.858 3.263 -1.370) 3.996 4.728 ( -3.506 -1.103 1.915) 4.144 4.953 ( 1.220 5.802 -0.474) 5.948 5.206 ( 14.230 4.178 -0.365) 14.835 5.584 ( 2.886 -0.527 2.104) 3.610 5.906 ( -5.073 -3.658 0.210) 6.257 5.935 ( -2.769 9.593 -3.349) 10.532 6.120 ( -0.674 -0.668 -0.167) 0.963 6.210 ( 3.244 1.304 -0.024) 3.496 6.890 ( -11.964 3.489 1.250) 12.525 7.284 ( -16.134 1.042 2.498) 16.359 7.485 ( 0.758 2.696 -5.006) 5.736 7.583 ( -13.010 7.363 2.672) 15.186 7.784 ( -12.945 13.147 1.407) 18.504 8.137 ( 0.314 1.378 -0.223) 1.431 9.368 ( 24.430 -19.634 0.169) 31.342 10.430 ( 18.820 -13.363 -1.525) 23.132 10.767 ( 3.051 -1.496 0.907) 3.517 11.484 ( -12.042 -10.868 0.759) 16.239 12.453 ( 26.466 19.242 -0.365) 32.724 13.896 ( 14.656 13.379 -0.653) 19.855 15.036 ( -20.992 7.529 2.302) 22.420 15.370 ( -7.907 7.285 -2.655) 11.075 26.999 ( 0.174 0.180 0.100) 0.269 27.027 ( -0.230 0.309 -0.071) 0.392 27.045 ( 0.524 -0.049 -0.097) 0.535 27.169 ( -1.828 1.076 0.032) 2.121 27.480 ( 1.417 -2.028 0.031) 2.475 27.647 ( -0.969 -1.637 -0.028) 1.903 33.344 ( -0.523 1.965 0.063) 2.035 33.929 ( 0.476 -0.679 -0.505) 0.971 34.177 ( -0.077 0.689 0.564) 0.894 34.928 ( -0.029 -0.739 -0.148) 0.754 35.686 ( 0.991 1.198 0.047) 1.556 36.016 ( -1.823 0.808 -0.065) 1.995 36.781 ( 1.076 -0.502 -0.057) 1.188 37.163 ( -1.085 -0.535 0.130) 1.217 42.410 ( 5.137 4.934 0.098) 7.123 42.650 ( 8.207 5.454 -0.282) 9.858 43.209 ( -8.348 6.189 0.256) 10.395 43.946 ( -15.814 10.750 0.010) 19.122 45.206 ( 7.038 -5.537 0.320) 8.960 45.727 ( 8.141 -7.499 -0.224) 11.071 45.883 ( -0.155 -5.513 0.619) 5.550 46.564 ( -4.017 -6.326 -0.414) 7.505 53.773 ( 24.914 23.635 -0.268) 34.343 55.024 ( 37.966 42.732 -0.253) 57.162 58.207 ( -35.288 55.848 0.029) 66.063 59.153 ( -52.457 -10.244 0.786) 53.454 65.138 ( 9.986 -14.901 -0.250) 17.940 67.672 ( -9.816 -21.635 2.951) 23.940 72.138 ( -0.985 -3.807 -2.509) 4.665 73.233 ( 1.950 1.770 -0.500) 2.681 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.064 19.975 -5.457) 20.707 1.721 ( 4.612 23.180 -1.951) 23.715 2.212 ( 1.033 -3.347 2.214) 4.144 2.463 ( -2.411 4.115 0.869) 4.848 2.730 ( -2.540 4.711 -2.154) 5.769 3.102 ( -2.671 0.065 5.622) 6.225 3.145 ( 13.447 9.055 1.108) 16.249 3.684 ( -2.085 4.814 1.522) 5.462 3.696 ( -0.810 -2.421 -1.932) 3.202 3.856 ( -2.197 -1.688 -5.743) 6.377 4.212 ( -4.760 -2.813 -0.840) 5.593 4.317 ( -3.756 3.043 4.086) 6.329 4.544 ( 1.467 0.095 -1.159) 1.872 4.571 ( 4.584 2.758 1.197) 5.482 4.646 ( -8.317 2.823 0.495) 8.797 4.876 ( -0.796 4.337 0.464) 4.433 5.257 ( 7.812 6.946 -1.735) 10.596 5.581 ( -6.094 2.932 -1.773) 6.991 5.665 ( -5.164 14.361 -0.254) 15.263 5.920 ( 0.331 -5.196 2.532) 5.789 6.165 ( 0.003 -4.191 -0.919) 4.290 6.252 ( 6.323 -0.229 0.263) 6.333 6.644 ( -13.394 4.907 1.056) 14.304 7.025 ( -22.969 15.181 -0.794) 27.543 7.138 ( -11.399 -0.167 3.028) 11.796 7.523 ( 1.389 0.828 -4.278) 4.574 7.628 ( -1.817 3.619 3.179) 5.148 8.153 ( 1.473 -1.194 0.285) 1.917 9.979 ( 23.733 -19.189 -0.258) 30.521 10.708 ( 4.537 -2.958 -0.053) 5.417 11.037 ( 16.755 -15.237 -0.686) 22.658 11.546 ( -1.551 -8.384 1.347) 8.632 12.460 ( 25.450 19.209 -0.053) 31.886 13.834 ( 11.533 14.029 -1.468) 18.220 14.561 ( -33.238 11.113 3.177) 35.190 15.055 ( -17.756 12.086 -3.653) 21.787 26.993 ( -0.316 0.616 0.188) 0.718 27.023 ( 0.429 0.132 -0.284) 0.532 27.050 ( 0.257 0.056 -0.068) 0.272 27.125 ( -1.862 1.279 0.157) 2.265 27.538 ( 1.714 -2.547 -0.005) 3.070 27.670 ( -0.337 -2.245 -0.006) 2.270 33.301 ( -1.456 1.833 0.313) 2.362 33.946 ( 1.154 -0.539 -2.555) 2.855 34.162 ( -0.693 1.014 2.952) 3.197 34.943 ( 0.391 -0.936 -0.764) 1.270 35.674 ( 0.426 1.437 0.386) 1.547 35.974 ( -1.871 1.325 -0.164) 2.298 36.804 ( 1.178 -0.442 0.036) 1.259 37.148 ( -1.155 0.721 0.052) 1.362 42.387 ( 3.636 4.829 0.267) 6.051 42.651 ( 7.292 6.355 -0.787) 9.704 42.985 ( -9.906 6.785 0.592) 12.021 43.547 ( -16.344 12.687 0.331) 20.693 45.406 ( 7.924 -6.681 0.697) 10.388 45.742 ( -3.794 0.746 -0.536) 3.903 46.194 ( 13.502 -13.834 0.652) 19.342 46.631 ( -2.890 -7.121 -0.439) 7.698 53.706 ( 31.634 26.844 -0.190) 41.489 54.754 ( 29.432 41.640 -0.194) 50.992 56.668 ( -50.096 62.901 -0.613) 80.414 58.475 ( -93.797 -10.344 1.986) 94.386 65.608 ( 13.382 -22.062 -2.813) 25.956 68.023 ( 1.199 -28.551 9.795) 30.208 72.138 ( 0.108 2.380 -5.232) 5.748 73.159 ( 1.315 9.910 -1.141) 10.062 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.314 22.206 -3.212) 22.681 1.395 ( 7.287 27.161 -2.446) 28.227 2.195 ( -8.041 24.487 0.446) 25.777 2.286 ( -2.998 4.776 4.916) 7.481 2.424 ( -6.565 2.422 -4.361) 8.245 3.170 ( 16.349 6.869 1.087) 17.767 3.315 ( 8.142 -8.686 6.207) 13.426 3.579 ( -1.884 5.580 1.276) 6.026 3.653 ( -7.490 2.848 -6.280) 10.180 3.864 ( -0.317 0.229 -4.383) 4.401 4.048 ( -17.032 6.440 4.808) 18.833 4.245 ( -3.115 -2.450 -0.333) 3.976 4.491 ( -4.699 1.423 0.079) 4.910 4.572 ( 1.621 0.348 0.735) 1.814 4.611 ( 7.853 2.798 -0.122) 8.338 4.799 ( -5.248 1.075 0.593) 5.389 5.162 ( 1.717 10.944 -1.821) 11.226 5.367 ( -3.348 14.685 -0.323) 15.065 5.457 ( -4.604 2.765 -2.877) 6.092 6.064 ( 1.127 -7.721 4.820) 9.171 6.223 ( 1.175 -2.784 -0.986) 3.179 6.375 ( 6.328 -3.121 -0.057) 7.055 6.462 ( -6.508 3.548 0.672) 7.443 6.629 ( -11.334 3.742 -1.804) 12.072 7.050 ( -7.917 -1.372 2.598) 8.445 7.507 ( 1.007 2.077 -4.867) 5.386 7.560 ( -1.934 3.314 3.543) 5.223 8.193 ( 1.348 -1.338 0.620) 1.998 10.461 ( 10.074 -11.308 -1.199) 15.192 10.865 ( 17.859 -5.844 1.420) 18.845 11.340 ( -10.143 -15.715 -1.872) 18.798 11.792 ( 21.141 -6.324 1.836) 22.143 12.454 ( 25.518 20.120 0.552) 32.501 13.708 ( -2.735 10.430 -4.792) 11.799 13.949 ( -32.548 13.216 6.594) 35.742 14.580 ( -21.286 15.884 -4.305) 26.906 26.976 ( -0.389 0.858 0.055) 0.944 27.031 ( 0.698 -0.185 -0.289) 0.778 27.049 ( -0.121 0.150 0.054) 0.200 27.090 ( -1.022 0.943 0.210) 1.406 27.592 ( 0.885 -2.124 -0.029) 2.301 27.708 ( 0.172 -2.470 0.008) 2.476 33.257 ( -1.595 1.445 0.437) 2.196 33.965 ( 1.321 -0.499 -2.968) 3.287 34.140 ( -0.668 1.180 3.349) 3.613 34.962 ( 0.436 -0.911 -0.719) 1.240 35.651 ( -0.232 1.716 0.496) 1.801 35.939 ( -0.686 1.057 -0.114) 1.266 36.820 ( 0.684 -0.172 0.036) 0.706 37.116 ( -0.934 1.598 0.014) 1.851 42.338 ( 0.919 4.800 0.290) 4.896 42.607 ( 3.404 7.541 -1.145) 8.353 42.798 ( -5.564 4.457 0.632) 7.157 43.214 ( -8.379 9.502 0.700) 12.688 45.548 ( 0.068 -2.911 0.941) 3.060 45.714 ( 1.529 -0.853 -0.626) 1.860 46.534 ( 9.193 -10.574 0.493) 14.021 46.711 ( -2.409 -6.925 -0.453) 7.346 53.696 ( 42.127 30.402 -0.364) 51.953 54.430 ( 22.588 38.050 0.232) 44.250 55.184 ( -43.921 49.774 -0.501) 66.383 57.303 (-116.565 -5.552 1.221) 116.703 66.044 ( 5.988 -17.871 -3.535) 19.176 68.619 ( 9.304 -34.933 10.829) 37.738 72.057 ( -0.245 6.324 -5.286) 8.246 72.950 ( 0.316 17.133 -1.259) 17.182 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 23.483 -0.000) 23.483 1.002 ( 0.000 29.804 -0.000) 29.804 1.492 ( 0.000 43.523 -0.000) 43.523 2.287 ( -0.000 -0.357 0.000) 0.357 2.371 ( 0.000 1.215 -0.000) 1.215 3.221 ( 0.000 10.695 -0.000) 10.695 3.367 ( 0.000 4.719 -0.000) 4.719 3.471 ( 0.000 6.043 -0.000) 6.043 3.567 ( -0.000 -9.930 0.000) 9.930 3.742 ( 0.000 8.420 -0.000) 8.420 3.972 ( -0.000 -3.404 0.000) 3.404 4.292 ( -0.000 -5.627 0.000) 5.627 4.457 ( -0.000 -0.112 0.000) 0.112 4.576 ( 0.000 0.861 -0.000) 0.861 4.648 ( 0.000 3.222 -0.000) 3.222 4.738 ( -0.000 -1.733 0.000) 1.733 4.950 ( 0.000 12.886 -0.000) 12.886 5.172 ( 0.000 9.561 -0.000) 9.561 5.383 ( 0.000 2.367 -0.000) 2.367 6.172 ( -0.000 -5.427 0.000) 5.427 6.267 ( -0.000 -0.994 0.000) 0.994 6.332 ( 0.000 4.594 -0.000) 4.594 6.432 ( -0.000 -1.562 0.000) 1.562 6.698 ( -0.000 -11.579 0.000) 11.579 7.003 ( -0.000 -0.055 0.000) 0.055 7.477 ( 0.000 2.038 -0.000) 2.038 7.479 ( 0.000 5.126 -0.000) 5.126 8.223 ( -0.000 -1.029 0.000) 1.029 10.571 ( 0.000 0.588 -0.000) 0.588 11.309 ( -0.000 -17.431 0.000) 17.431 11.372 ( -0.000 -10.540 0.000) 10.540 12.035 ( -0.000 -1.345 0.000) 1.345 12.367 ( 0.000 19.022 -0.000) 19.022 13.402 ( 0.000 0.829 -0.000) 0.829 13.602 ( 0.000 14.312 -0.000) 14.312 14.135 ( 0.000 18.330 -0.000) 18.330 26.961 ( 0.000 0.670 -0.000) 0.670 27.041 ( -0.000 -0.307 0.000) 0.307 27.044 ( 0.000 0.159 -0.000) 0.159 27.072 ( 0.000 0.706 -0.000) 0.706 27.626 ( -0.000 -1.499 0.000) 1.499 27.746 ( -0.000 -1.984 0.000) 1.984 33.224 ( 0.000 1.058 -0.000) 1.058 33.980 ( -0.000 -0.402 0.000) 0.402 34.123 ( 0.000 0.814 -0.000) 0.814 34.978 ( -0.000 -0.672 0.000) 0.672 35.622 ( 0.000 1.531 -0.000) 1.531 35.924 ( 0.000 0.577 -0.000) 0.577 36.825 ( 0.000 0.034 -0.000) 0.034 37.082 ( 0.000 1.735 -0.000) 1.735 42.273 ( 0.000 3.413 -0.000) 3.413 42.502 ( 0.000 6.732 -0.000) 6.732 42.715 ( 0.000 2.316 -0.000) 2.316 43.054 ( 0.000 5.684 -0.000) 5.684 45.538 ( 0.000 1.004 -0.000) 1.004 45.764 ( -0.000 -1.812 0.000) 1.812 46.723 ( -0.000 -6.097 0.000) 6.097 46.797 ( -0.000 -5.785 0.000) 5.785 53.585 ( 0.000 29.156 -0.000) 29.156 54.112 ( 0.000 30.819 -0.000) 30.819 54.158 ( 0.000 27.683 -0.000) 27.683 56.316 ( 0.000 6.981 -0.000) 6.981 66.311 ( -0.000 -12.326 0.000) 12.326 69.279 ( -0.000 -34.767 0.000) 34.767 71.938 ( 0.000 6.977 -0.000) 6.977 72.642 ( 0.000 20.766 -0.000) 20.766 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 20.086 -0.000 6.538) 21.124 1.342 ( 22.215 -0.000 -1.992) 22.304 2.274 ( 27.079 -0.000 -5.623) 27.656 2.433 ( 3.375 -0.000 -1.856) 3.852 2.638 ( 9.854 -0.000 7.022) 12.100 3.227 ( -13.762 0.000 -4.105) 14.361 3.384 ( -1.425 0.000 3.040) 3.357 3.542 ( 5.986 -0.000 -0.902) 6.053 3.594 ( 11.963 -0.000 -5.728) 13.264 4.049 ( 8.357 -0.000 0.698) 8.386 4.136 ( 0.665 -0.000 3.354) 3.419 4.451 ( 4.982 -0.000 4.916) 6.999 4.482 ( 0.830 -0.000 -1.741) 1.928 4.638 ( 0.966 -0.000 -3.031) 3.182 4.746 ( 3.068 -0.000 -2.952) 4.258 4.780 ( 18.574 -0.000 4.529) 19.118 5.317 ( 21.123 -0.000 5.950) 21.945 5.389 ( -6.158 0.000 2.220) 6.546 5.637 ( 18.656 -0.000 -1.413) 18.709 5.960 ( -0.219 0.000 -3.439) 3.446 6.274 ( -8.715 0.000 0.997) 8.771 6.289 ( 1.479 -0.000 -0.715) 1.643 6.526 ( 4.892 -0.000 2.927) 5.701 6.593 ( 7.474 -0.000 -10.615) 12.982 7.148 ( -4.855 0.000 3.848) 6.195 7.566 ( 4.032 -0.000 0.504) 4.064 7.691 ( 5.751 -0.000 1.046) 5.845 8.144 ( 5.649 -0.000 -0.676) 5.689 10.550 ( -19.564 0.000 -2.100) 19.676 10.570 ( -20.231 0.000 1.769) 20.308 11.097 ( -16.478 0.000 0.164) 16.478 11.334 ( -23.005 0.000 1.074) 23.030 12.985 ( 34.565 -0.000 -3.589) 34.751 14.135 ( 24.392 -0.000 1.291) 24.426 14.214 ( 22.031 -0.000 3.106) 22.249 15.503 ( 7.924 -0.000 -2.929) 8.448 26.971 ( 1.063 -0.000 -0.341) 1.117 27.016 ( -0.337 0.000 0.346) 0.483 27.038 ( -0.200 0.000 0.241) 0.313 27.101 ( 1.061 -0.000 -0.779) 1.316 27.573 ( -2.833 0.000 0.193) 2.840 27.696 ( -3.251 0.000 -0.122) 3.254 33.407 ( 3.274 -0.000 -2.183) 3.935 33.893 ( -2.166 0.000 7.950) 8.240 34.118 ( 3.804 -0.000 -9.575) 10.303 34.949 ( -1.853 0.000 2.839) 3.390 35.706 ( 3.448 -0.000 -2.230) 4.107 35.911 ( 1.641 -0.000 0.931) 1.886 36.796 ( -0.916 0.000 -0.402) 1.001 37.042 ( -0.802 0.000 0.664) 1.042 42.492 ( 11.657 -0.000 -0.245) 11.659 42.733 ( 13.137 -0.000 -0.052) 13.137 42.920 ( 9.747 -0.000 -1.074) 9.806 43.178 ( 12.065 -0.000 1.145) 12.119 45.605 ( -6.330 0.000 3.671) 7.317 45.702 ( -8.491 0.000 -4.571) 9.643 46.484 ( -16.563 0.000 3.141) 16.858 46.516 ( -11.761 0.000 -2.943) 12.123 54.687 ( 43.568 -0.000 3.328) 43.695 54.772 ( 48.819 -0.000 -0.004) 48.819 55.769 ( 81.716 -0.000 -7.440) 82.054 65.002 ( -24.262 0.000 -72.751) 76.690 66.314 ( -25.052 0.000 5.235) 25.593 66.460 ( -16.134 0.000 31.136) 35.068 71.329 ( -17.781 0.000 -3.616) 18.145 72.370 ( 4.354 -0.000 10.796) 11.641 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 17.564 -5.354 4.771) 18.972 1.619 ( 18.318 -4.460 -1.324) 18.900 2.421 ( 3.350 4.408 -4.863) 7.369 2.537 ( 12.910 -1.410 -4.278) 13.673 2.817 ( 9.305 -6.022 7.280) 13.260 3.041 ( -10.532 3.337 -1.639) 11.169 3.341 ( -7.011 -1.512 0.517) 7.191 3.570 ( 13.532 7.720 -1.212) 15.626 3.716 ( 7.290 0.015 -3.197) 7.960 4.084 ( 1.432 3.132 3.438) 4.866 4.164 ( -0.173 -0.398 0.122) 0.451 4.457 ( -0.593 1.243 0.967) 1.683 4.523 ( 1.662 -2.011 1.555) 3.037 4.644 ( 0.338 -0.546 -2.638) 2.715 4.741 ( 7.758 5.973 0.800) 9.824 5.158 ( 14.698 -10.431 0.733) 18.038 5.284 ( -1.243 2.552 0.616) 2.905 5.485 ( 18.969 9.106 3.072) 21.264 5.750 ( 5.159 2.057 0.591) 5.585 6.117 ( 2.437 -7.554 -2.188) 8.234 6.155 ( -0.247 5.645 -0.463) 5.669 6.315 ( 5.633 1.723 -0.494) 5.911 6.560 ( 5.828 -2.963 -4.501) 7.937 6.927 ( 19.769 -19.425 -1.776) 27.772 7.124 ( -2.669 -2.323 2.440) 4.298 7.576 ( -1.651 0.566 1.826) 2.525 7.761 ( 5.402 -0.076 1.715) 5.668 8.231 ( 9.868 0.989 -1.915) 10.101 10.008 ( -25.735 19.326 -0.396) 32.186 10.504 ( -19.694 -8.056 0.174) 21.279 10.820 ( -22.213 6.091 0.220) 23.034 11.134 ( -17.870 -8.135 0.936) 19.657 13.213 ( 34.350 20.728 -3.275) 40.253 14.233 ( 24.720 12.773 1.713) 27.878 14.721 ( 19.991 -16.355 2.421) 25.943 15.580 ( 7.336 1.251 -2.233) 7.770 26.988 ( 1.224 -0.408 -0.324) 1.330 27.012 ( -0.008 0.261 0.270) 0.376 27.039 ( -0.002 -0.204 0.157) 0.258 27.119 ( 1.077 -0.851 -0.474) 1.452 27.533 ( -3.140 0.652 0.237) 3.216 27.653 ( -3.507 0.031 -0.177) 3.512 33.432 ( 3.372 1.344 -1.485) 3.922 33.885 ( -1.721 -0.463 6.647) 6.882 34.153 ( 3.008 -0.730 -8.323) 8.880 34.929 ( -1.918 0.049 2.800) 3.394 35.732 ( 2.990 1.174 -1.682) 3.626 35.948 ( 1.898 -1.624 0.757) 2.610 36.781 ( -0.899 0.368 -0.492) 1.088 37.048 ( -1.184 -1.990 0.655) 2.407 42.608 ( 12.798 4.562 -0.521) 13.596 42.824 ( 12.942 7.416 0.767) 14.936 43.084 ( 11.707 -4.038 -1.539) 12.479 43.452 ( 15.104 -12.444 0.948) 19.593 45.431 ( -10.376 7.269 0.577) 12.682 45.644 ( -8.137 -4.148 -1.260) 9.220 46.181 ( -17.761 7.957 1.367) 19.510 46.430 ( -13.955 -5.700 -1.040) 15.110 54.730 ( 46.428 34.218 0.823) 57.681 56.003 ( 54.241 -44.684 0.379) 70.277 56.527 ( 84.846 29.795 -1.192) 89.933 63.548 ( -13.692 91.345 -29.049) 96.825 66.140 ( -13.298 13.553 13.265) 23.162 66.641 ( -42.335 -44.546 -13.358) 62.889 71.263 ( -18.352 -18.832 -1.866) 26.361 72.539 ( 3.489 -11.932 9.292) 15.520 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 12.258 -7.150 2.649) 14.436 1.916 ( 15.368 -7.603 0.484) 17.153 2.349 ( 2.849 7.726 -6.438) 10.452 2.639 ( 6.956 3.007 -1.402) 7.707 2.826 ( -7.563 5.738 2.343) 9.778 3.077 ( 3.360 -10.528 2.119) 11.252 3.287 ( -4.547 -1.002 -0.264) 4.664 3.602 ( 15.355 10.217 -0.842) 18.463 3.796 ( 2.803 -3.108 -1.937) 4.612 4.044 ( -0.537 2.681 3.442) 4.396 4.122 ( -3.029 2.098 -3.047) 4.781 4.435 ( -0.882 0.645 1.518) 1.870 4.564 ( -0.005 -1.480 0.660) 1.620 4.650 ( -0.349 -0.496 -1.569) 1.682 4.738 ( 7.965 6.577 2.151) 10.551 5.126 ( -5.595 2.739 1.363) 6.377 5.469 ( 23.390 12.331 -1.434) 26.480 5.575 ( 3.680 -6.004 2.873) 7.605 5.769 ( 2.223 0.969 0.369) 2.453 6.093 ( 4.451 3.584 -1.956) 6.040 6.175 ( -0.388 0.182 -1.080) 1.162 6.325 ( 6.671 5.999 -1.121) 9.042 6.751 ( 2.145 -11.048 -1.937) 11.420 7.173 ( 2.157 -4.771 -1.066) 5.343 7.523 ( -4.785 0.191 2.335) 5.327 7.569 ( 23.446 -20.632 -0.252) 31.232 7.834 ( 6.853 -1.452 2.707) 7.510 8.323 ( 9.971 3.243 -2.059) 10.685 9.372 ( -26.890 19.408 -0.438) 33.165 10.282 ( -14.510 7.284 0.384) 16.240 10.571 ( -20.780 -8.914 -0.220) 22.612 11.108 ( -13.853 -11.086 1.082) 17.776 13.226 ( 33.836 26.674 -1.734) 43.121 14.327 ( 24.287 13.444 0.631) 27.767 15.120 ( 9.693 -9.353 2.442) 13.689 15.612 ( 3.892 3.221 -2.080) 5.463 27.007 ( 0.778 -0.014 -0.389) 0.870 27.010 ( 0.321 -0.096 0.332) 0.472 27.044 ( 0.403 -0.106 0.074) 0.423 27.150 ( 0.931 -1.464 -0.238) 1.751 27.482 ( -2.891 1.039 0.202) 3.079 27.616 ( -3.195 -0.621 -0.160) 3.259 33.440 ( 2.751 2.161 -0.916) 3.616 33.887 ( -1.163 -0.814 4.950) 5.149 34.181 ( 2.003 -0.405 -6.337) 6.658 34.913 ( -1.626 -0.205 2.268) 2.798 35.738 ( 2.406 1.752 -1.037) 3.152 35.997 ( 1.165 -1.672 0.462) 2.089 36.767 ( -0.442 0.216 -0.490) 0.694 37.074 ( -1.405 -2.951 0.542) 3.313 42.650 ( 11.776 8.218 -0.509) 14.369 42.851 ( 13.499 8.651 0.513) 16.042 43.281 ( 9.053 -3.595 -0.725) 9.768 43.856 ( 13.440 -13.902 0.434) 19.341 45.203 ( -8.189 5.638 -0.272) 9.946 45.567 ( -11.847 -0.123 -0.105) 11.848 45.891 ( -12.715 2.823 1.049) 13.067 46.359 ( -13.544 -6.660 -0.833) 15.116 54.747 ( 47.474 34.870 0.309) 58.905 56.801 ( 71.432 45.599 -5.911) 84.952 57.385 ( 53.889 -36.050 8.344) 65.370 61.999 ( -22.924 74.924 -11.697) 79.221 65.628 ( -17.559 25.412 4.412) 31.202 66.746 ( -36.594 -33.628 -12.805) 51.322 71.438 ( -13.926 -26.295 0.133) 29.756 72.809 ( 2.504 -14.955 5.466) 16.118 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 6.838 -7.014 1.457) 9.903 2.209 ( 3.350 -5.634 -3.513) 7.437 2.247 ( 12.447 6.605 -2.050) 14.239 2.565 ( 0.016 11.676 2.347) 11.909 2.686 ( -2.969 3.358 0.028) 4.483 3.226 ( -3.128 -5.950 0.447) 6.737 3.302 ( 2.455 -3.423 1.661) 4.528 3.611 ( 11.980 8.923 -1.185) 14.985 3.854 ( 1.833 -0.031 -2.244) 2.898 4.001 ( -1.771 2.125 1.412) 3.105 4.049 ( -4.004 -0.566 -2.366) 4.685 4.421 ( 0.373 0.942 1.662) 1.947 4.570 ( -1.089 -0.140 -0.214) 1.118 4.647 ( 0.303 0.553 -0.071) 0.635 4.728 ( 5.165 5.125 1.526) 7.435 5.040 ( -4.055 1.231 1.222) 4.411 5.508 ( 18.473 11.283 -0.612) 21.654 5.676 ( 5.362 1.618 3.979) 6.870 5.785 ( 1.981 -0.030 -1.318) 2.379 6.101 ( 1.013 1.061 -2.035) 2.509 6.140 ( -0.429 2.522 -2.185) 3.364 6.311 ( 7.976 6.061 -0.776) 10.048 6.858 ( -5.688 -5.205 0.645) 7.737 7.265 ( -3.357 -2.723 -2.390) 4.939 7.462 ( -2.416 -1.136 2.191) 3.453 7.790 ( 0.507 2.129 2.282) 3.161 8.079 ( -2.001 1.531 -1.190) 2.786 8.337 ( 5.351 5.113 0.072) 7.402 8.925 ( -2.735 0.066 -0.123) 2.739 10.156 ( 5.062 -2.389 -0.461) 5.616 10.516 ( -18.845 -13.079 -0.194) 22.940 11.143 ( -10.328 -11.475 1.122) 15.479 13.207 ( 34.388 26.589 -0.654) 43.473 14.377 ( 21.941 15.462 -0.211) 26.843 15.206 ( -7.116 1.954 2.507) 7.794 15.567 ( 0.574 5.277 -2.217) 5.752 27.007 ( 0.376 0.343 0.047) 0.511 27.021 ( 0.114 -0.381 -0.104) 0.411 27.052 ( 0.979 0.218 0.062) 1.005 27.175 ( -0.364 -0.772 -0.130) 0.864 27.446 ( -1.153 -0.048 0.141) 1.162 27.597 ( -2.638 -1.415 -0.110) 2.996 33.425 ( 1.500 2.846 -0.460) 3.250 33.898 ( -0.505 -1.082 2.975) 3.206 34.193 ( 1.112 0.201 -3.835) 3.998 34.905 ( -1.071 -0.624 1.374) 1.850 35.735 ( 2.048 1.833 -0.567) 2.806 36.020 ( -0.463 -0.538 0.233) 0.747 36.767 ( 0.430 -0.345 -0.355) 0.656 37.104 ( -1.433 -2.872 0.383) 3.232 42.642 ( 10.651 9.342 -0.208) 14.169 42.880 ( 14.403 8.920 0.056) 16.941 43.354 ( -0.042 2.317 -0.084) 2.319 44.094 ( -1.505 -3.021 -0.045) 3.376 45.103 ( -0.463 -0.422 -0.164) 0.647 45.472 ( -1.709 -4.340 0.443) 4.686 45.786 ( -8.708 -3.022 0.600) 9.237 46.325 ( -11.628 -8.482 -0.746) 14.412 54.763 ( 50.248 36.945 0.206) 62.368 56.756 ( 64.293 59.756 -2.484) 87.809 58.342 ( 19.225 -21.235 4.986) 29.076 60.492 ( -41.723 67.294 -4.028) 79.281 65.104 ( -9.913 14.431 0.376) 17.511 66.840 ( -29.505 -31.078 -6.661) 43.367 71.714 ( -7.696 -23.547 0.217) 24.773 73.061 ( 2.241 -11.843 2.055) 12.227 ======================= Grid point 27 (20/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.949 0.791 0.399) 3.079 2.075 ( 1.344 7.313 -4.533) 8.708 2.370 ( 3.309 14.396 2.337) 14.955 2.442 ( -3.658 -6.201 -7.724) 10.559 2.659 ( 9.753 0.693 9.173) 13.407 3.219 ( -7.100 -0.219 0.623) 7.130 3.396 ( 7.329 0.012 1.309) 7.445 3.618 ( 6.307 3.304 -1.373) 7.251 3.822 ( 0.514 4.495 -2.426) 5.134 3.925 ( -0.089 4.693 -3.700) 5.976 4.065 ( -3.145 -5.348 1.473) 6.377 4.417 ( 2.205 2.305 2.421) 4.004 4.552 ( -0.512 0.523 -0.591) 0.940 4.646 ( 2.209 1.289 1.083) 2.777 4.692 ( -0.818 3.506 -0.085) 3.601 4.981 ( -3.150 1.550 0.576) 3.557 5.567 ( 15.591 7.807 -0.150) 17.437 5.686 ( 8.991 8.343 2.866) 12.596 5.796 ( -4.380 -2.943 -0.736) 5.328 6.023 ( -2.504 6.223 -2.203) 7.060 6.110 ( -0.517 1.259 -1.849) 2.296 6.329 ( 9.918 5.262 0.378) 11.234 6.785 ( -11.782 1.827 -0.306) 11.926 7.132 ( -12.549 2.078 2.465) 12.957 7.510 ( 0.009 -1.285 0.241) 1.308 7.572 ( -17.788 15.873 -2.505) 23.972 7.811 ( -8.414 5.974 2.314) 10.575 8.204 ( -0.261 7.653 -0.475) 7.672 9.345 ( 24.715 -20.367 0.380) 32.028 10.413 ( 7.460 -11.767 -0.019) 13.932 10.544 ( -9.397 -16.206 -1.495) 18.793 11.239 ( -4.129 -11.986 1.392) 12.753 13.210 ( 35.957 26.187 0.144) 44.483 14.353 ( 16.545 17.130 -1.352) 23.854 14.922 ( -20.940 11.159 2.297) 23.838 15.421 ( -6.022 9.838 -1.756) 11.667 27.006 ( 0.235 0.308 0.122) 0.407 27.024 ( -0.169 -0.160 -0.189) 0.300 27.060 ( 1.251 0.545 0.070) 1.366 27.160 ( -1.977 0.646 -0.067) 2.081 27.463 ( 0.974 -1.939 0.084) 2.172 27.598 ( -1.937 -2.182 -0.068) 2.918 33.386 ( 0.281 3.263 -0.130) 3.277 33.917 ( 0.039 -1.182 1.006) 1.553 34.191 ( 0.405 0.729 -1.305) 1.549 34.911 ( -0.449 -1.025 0.453) 1.207 35.727 ( 1.644 1.866 -0.207) 2.495 36.005 ( -1.648 0.596 0.046) 1.753 36.784 ( 0.993 -0.723 -0.168) 1.240 37.128 ( -1.266 -1.992 0.223) 2.370 42.614 ( 9.448 9.355 0.043) 13.296 42.907 ( 14.274 9.630 -0.438) 17.224 43.216 ( -8.235 7.316 0.432) 11.024 43.910 ( -16.197 8.996 -0.146) 18.529 45.204 ( 7.403 -5.774 0.162) 9.390 45.672 ( 3.142 -8.210 -0.556) 8.808 45.769 ( 0.355 -8.916 1.309) 9.019 46.349 ( -9.372 -10.364 -0.666) 13.989 54.792 ( 56.316 39.552 0.363) 68.818 56.487 ( 55.746 63.443 -1.831) 84.475 58.390 ( -37.444 3.007 3.154) 37.696 58.830 ( -52.472 69.667 -1.682) 87.233 65.048 ( 6.853 -8.869 0.401) 11.215 67.035 ( -20.731 -33.485 -1.489) 39.411 71.964 ( -2.959 -15.293 -0.855) 15.600 73.229 ( 2.022 -5.546 0.230) 5.908 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -1.391 17.903 -2.829) 18.178 2.088 ( 3.966 10.345 -0.298) 11.083 2.237 ( 4.542 4.685 2.845) 7.119 2.386 ( -7.880 -2.197 -5.976) 10.131 2.845 ( 9.229 1.119 6.729) 11.476 3.071 ( -7.876 3.002 0.265) 8.432 3.472 ( 10.241 4.253 0.983) 11.132 3.656 ( 1.384 -1.729 -0.475) 2.265 3.744 ( -1.340 3.437 -0.913) 3.800 3.865 ( 6.040 6.148 -5.453) 10.198 4.111 ( -3.083 -4.073 1.303) 5.272 4.377 ( 0.634 8.152 3.471) 8.883 4.538 ( -3.146 1.026 0.334) 3.326 4.588 ( -4.758 1.828 -2.463) 5.660 4.666 ( 3.835 0.866 1.041) 4.067 4.897 ( -4.421 3.701 0.182) 5.769 5.552 ( 0.764 8.974 -1.240) 9.091 5.623 ( 8.718 11.502 0.670) 14.448 5.807 ( -0.589 5.325 1.048) 5.458 5.865 ( -2.121 1.470 0.384) 2.609 6.093 ( -1.869 -2.480 -1.663) 3.523 6.380 ( 10.102 3.843 1.241) 10.880 6.579 ( -7.905 5.149 -1.563) 9.563 6.967 ( -17.614 9.800 1.983) 20.254 7.046 ( -12.055 5.602 0.129) 13.294 7.549 ( 1.709 0.591 -2.303) 2.928 7.683 ( -1.450 4.884 2.081) 5.504 8.154 ( 0.632 0.361 -0.147) 0.742 9.957 ( 22.678 -18.660 -0.064) 29.369 10.523 ( -13.922 -15.417 1.027) 20.798 10.851 ( 5.384 -15.237 -2.252) 16.316 11.454 ( 4.956 -14.346 1.460) 15.248 13.239 ( 38.624 27.039 1.020) 47.159 14.142 ( -15.099 16.366 -3.961) 22.616 14.471 ( -7.675 17.646 3.836) 19.621 15.105 ( -10.889 15.767 -1.600) 19.228 27.001 ( -0.055 0.566 0.124) 0.582 27.025 ( 0.060 -0.178 -0.195) 0.271 27.063 ( 0.911 0.811 0.038) 1.220 27.122 ( -1.715 0.925 0.007) 1.949 27.515 ( 1.125 -2.576 0.029) 2.811 27.620 ( -0.952 -2.853 -0.027) 3.007 33.333 ( -0.323 3.211 0.037) 3.227 33.938 ( 0.297 -1.153 -0.330) 1.235 34.177 ( -0.048 1.114 0.368) 1.175 34.927 ( -0.019 -1.251 -0.092) 1.255 35.712 ( 0.852 2.048 0.037) 2.218 35.972 ( -1.342 1.024 -0.051) 1.689 36.807 ( 0.773 -0.674 -0.040) 1.026 37.136 ( -0.836 -0.616 0.090) 1.042 42.564 ( 6.240 9.355 0.164) 11.247 42.900 ( 10.487 10.678 -1.790) 15.073 42.988 ( -7.935 7.515 1.700) 11.060 43.546 ( -14.177 10.831 0.022) 17.841 45.404 ( 7.791 -6.007 0.350) 9.844 45.667 ( -6.169 -2.749 -0.342) 6.763 46.121 ( 12.046 -14.997 0.742) 19.250 46.418 ( -7.720 -11.255 -0.571) 13.661 54.865 ( 61.696 41.610 0.460) 74.418 56.102 ( 48.839 64.169 -0.978) 80.646 57.060 ( -60.846 61.883 -2.603) 86.825 57.527 ( -67.523 21.216 3.264) 70.852 65.412 ( 9.153 -19.656 -0.505) 21.688 67.433 ( -7.848 -38.740 2.121) 39.584 72.108 ( -0.652 -5.627 -1.594) 5.885 73.275 ( 1.199 2.429 -0.276) 2.723 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 21.166 -0.000) 21.166 1.836 ( 0.000 21.921 -0.000) 21.921 2.268 ( -0.000 -0.797 0.000) 0.797 2.362 ( -0.000 -1.608 0.000) 1.608 2.621 ( 0.000 24.879 -0.000) 24.879 3.149 ( -0.000 -10.008 0.000) 10.008 3.510 ( 0.000 1.904 -0.000) 1.904 3.605 ( 0.000 6.679 -0.000) 6.679 3.714 ( 0.000 5.358 -0.000) 5.358 3.854 ( -0.000 -0.464 0.000) 0.464 4.044 ( 0.000 10.212 -0.000) 10.212 4.210 ( 0.000 2.291 -0.000) 2.291 4.480 ( 0.000 0.966 -0.000) 0.966 4.579 ( -0.000 -0.482 0.000) 0.482 4.703 ( -0.000 -0.614 0.000) 0.614 4.783 ( 0.000 5.088 -0.000) 5.088 5.406 ( 0.000 10.648 -0.000) 10.648 5.517 ( 0.000 10.266 -0.000) 10.266 5.549 ( 0.000 14.076 -0.000) 14.076 5.963 ( -0.000 -6.864 0.000) 6.864 6.153 ( -0.000 -5.858 0.000) 5.858 6.431 ( -0.000 -0.235 0.000) 0.235 6.461 ( 0.000 4.150 -0.000) 4.150 6.621 ( 0.000 9.778 -0.000) 9.778 6.993 ( -0.000 -0.354 0.000) 0.354 7.538 ( 0.000 1.562 -0.000) 1.562 7.610 ( 0.000 3.779 -0.000) 3.779 8.173 ( -0.000 -1.717 0.000) 1.717 10.363 ( -0.000 -12.173 0.000) 12.173 10.712 ( -0.000 -20.164 0.000) 20.164 11.073 ( -0.000 -10.773 0.000) 10.773 11.748 ( -0.000 -14.784 0.000) 14.784 13.144 ( 0.000 29.757 -0.000) 29.757 13.640 ( 0.000 11.879 -0.000) 11.879 14.177 ( 0.000 19.938 -0.000) 19.938 14.736 ( 0.000 18.917 -0.000) 18.917 26.988 ( 0.000 0.895 -0.000) 0.895 27.030 ( -0.000 -0.335 0.000) 0.335 27.055 ( 0.000 0.688 -0.000) 0.688 27.097 ( 0.000 0.832 -0.000) 0.832 27.562 ( -0.000 -2.413 0.000) 2.413 27.663 ( -0.000 -3.050 0.000) 3.050 33.283 ( 0.000 2.658 -0.000) 2.658 33.957 ( -0.000 -1.009 0.000) 1.009 34.158 ( 0.000 1.258 -0.000) 1.258 34.947 ( -0.000 -1.211 0.000) 1.211 35.683 ( 0.000 2.168 -0.000) 2.168 35.948 ( 0.000 0.923 -0.000) 0.923 36.821 ( -0.000 -0.391 0.000) 0.391 37.129 ( 0.000 0.761 -0.000) 0.761 42.457 ( 0.000 8.345 -0.000) 8.345 42.791 ( 0.000 11.165 -0.000) 11.165 42.834 ( 0.000 5.241 -0.000) 5.241 43.298 ( 0.000 9.190 -0.000) 9.190 45.523 ( -0.000 -2.570 0.000) 2.570 45.679 ( -0.000 -3.518 0.000) 3.518 46.433 ( -0.000 -12.114 0.000) 12.114 46.531 ( -0.000 -10.777 0.000) 10.777 54.729 ( 0.000 41.016 -0.000) 41.016 55.535 ( 0.000 57.824 -0.000) 57.824 55.564 ( 0.000 59.948 -0.000) 59.948 56.646 ( 0.000 14.211 -0.000) 14.211 65.785 ( -0.000 -19.663 0.000) 19.663 68.043 ( -0.000 -41.275 0.000) 41.275 72.125 ( 0.000 2.327 -0.000) 2.327 73.177 ( 0.000 10.674 -0.000) 10.674 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 17.238 -0.000 2.901) 17.481 1.767 ( 13.700 -0.000 -2.074) 13.856 2.474 ( 1.230 -0.000 -3.673) 3.873 2.659 ( 9.720 -0.000 -5.203) 11.024 2.873 ( 6.688 -0.000 5.066) 8.390 2.946 ( -9.273 0.000 1.332) 9.369 3.244 ( -7.478 0.000 1.902) 7.716 3.627 ( 1.964 -0.000 -2.021) 2.818 3.873 ( 6.922 -0.000 -3.445) 7.732 4.114 ( -3.046 0.000 1.816) 3.547 4.218 ( 5.939 -0.000 3.313) 6.800 4.486 ( -0.943 0.000 2.432) 2.609 4.496 ( 0.802 -0.000 -1.329) 1.552 4.623 ( -1.267 0.000 -0.815) 1.506 4.966 ( 10.608 -0.000 0.648) 10.628 5.202 ( 11.612 -0.000 0.013) 11.612 5.270 ( 1.451 -0.000 -1.089) 1.814 5.666 ( 2.696 -0.000 4.540) 5.280 6.000 ( 8.461 -0.000 0.790) 8.498 6.019 ( 6.178 -0.000 -3.057) 6.893 6.233 ( 4.890 -0.000 -2.939) 5.705 6.372 ( 3.716 -0.000 -1.476) 3.998 6.838 ( 22.864 -0.000 3.932) 23.199 6.869 ( 19.973 -0.000 -5.558) 20.732 7.101 ( 1.984 -0.000 -0.627) 2.081 7.538 ( -5.773 0.000 3.300) 6.649 7.821 ( 4.420 -0.000 2.746) 5.203 8.379 ( 13.195 -0.000 -2.836) 13.496 9.988 ( -27.048 0.000 4.408) 27.404 9.999 ( -25.814 0.000 -4.936) 26.282 10.714 ( -15.248 0.000 1.639) 15.336 10.762 ( -22.656 0.000 -0.230) 22.657 13.765 ( 28.964 -0.000 -4.523) 29.315 14.705 ( 21.524 -0.000 2.050) 21.621 14.759 ( 20.847 -0.000 4.146) 21.255 15.665 ( 6.085 -0.000 -2.878) 6.732 27.001 ( 1.305 -0.000 -0.072) 1.307 27.017 ( 0.386 -0.000 0.153) 0.415 27.040 ( 0.461 -0.000 -0.171) 0.491 27.123 ( 0.905 -0.000 -0.233) 0.935 27.500 ( -3.252 0.000 0.338) 3.269 27.607 ( -3.933 0.000 -0.281) 3.943 33.480 ( 3.121 -0.000 -1.224) 3.352 33.873 ( -1.325 0.000 5.642) 5.795 34.170 ( 2.705 -0.000 -7.346) 7.828 34.910 ( -2.027 0.000 2.697) 3.374 35.776 ( 2.692 -0.000 -1.547) 3.105 35.960 ( 2.061 -0.000 0.833) 2.223 36.774 ( -0.778 0.000 -0.522) 0.937 37.016 ( -1.425 0.000 0.673) 1.576 42.830 ( 16.156 -0.000 -0.782) 16.175 43.057 ( 11.929 -0.000 3.181) 12.346 43.220 ( 16.548 -0.000 -4.952) 17.273 43.507 ( 14.095 -0.000 2.162) 14.260 45.392 ( -11.580 0.000 3.570) 12.118 45.459 ( -10.185 0.000 -4.510) 11.139 46.036 ( -20.989 0.000 4.141) 21.394 46.177 ( -15.118 0.000 -3.365) 15.488 55.953 ( 59.292 -0.000 5.910) 59.586 56.005 ( 52.863 -0.000 -5.347) 53.133 57.768 ( 79.417 -0.000 4.393) 79.538 64.023 ( -41.810 0.000 -42.673) 59.742 65.616 ( -33.016 0.000 3.263) 33.177 66.152 ( -14.297 0.000 11.507) 18.352 70.849 ( -20.149 0.000 -4.477) 20.641 72.500 ( 3.588 -0.000 9.483) 10.139 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 13.174 -1.292 0.850) 13.265 1.953 ( 10.218 -5.624 -1.254) 11.731 2.455 ( 1.481 3.114 -4.975) 6.053 2.738 ( 5.090 0.909 -2.492) 5.739 2.820 ( -6.746 3.853 3.816) 8.656 2.986 ( 2.327 -5.366 2.626) 6.411 3.183 ( -5.523 -2.613 1.262) 6.239 3.673 ( 0.279 -3.982 -1.422) 4.237 3.896 ( 3.510 3.194 -3.283) 5.770 4.062 ( -3.507 1.419 1.423) 4.042 4.241 ( 5.885 6.080 2.531) 8.832 4.444 ( -0.673 1.940 0.832) 2.215 4.528 ( -0.597 -1.781 -0.976) 2.117 4.616 ( -1.516 -1.228 0.316) 1.977 4.978 ( 2.539 4.104 2.175) 5.293 5.158 ( 4.765 9.611 -1.504) 10.832 5.515 ( 9.663 -7.762 0.583) 12.408 5.714 ( -0.676 -5.143 2.046) 5.577 5.905 ( 9.473 12.620 -0.771) 15.798 6.149 ( 0.222 -1.599 -1.039) 1.920 6.242 ( 3.951 4.518 -3.196) 6.799 6.511 ( 4.459 -8.735 0.345) 9.814 6.803 ( 21.901 18.348 -0.770) 28.581 7.170 ( 6.850 -1.956 -3.582) 7.973 7.451 ( -6.523 -1.158 3.545) 7.513 7.529 ( 24.095 -20.279 -0.051) 31.493 7.887 ( 5.788 -1.971 3.928) 7.268 8.503 ( 10.578 3.831 -2.775) 11.587 9.356 ( -26.610 19.379 -0.619) 32.924 9.969 ( -25.028 -17.878 0.040) 30.757 10.340 ( -14.654 9.838 0.192) 17.651 10.742 ( -15.072 -13.531 0.968) 20.278 13.938 ( 25.612 15.356 -2.989) 30.012 14.803 ( 20.595 11.030 1.737) 23.426 15.110 ( 10.953 -7.408 3.341) 13.638 15.704 ( 4.062 2.685 -2.782) 5.608 27.014 ( 0.614 -0.055 0.212) 0.652 27.020 ( 0.596 0.403 -0.027) 0.720 27.052 ( 1.263 -0.195 -0.357) 1.327 27.140 ( 0.712 -0.891 -0.047) 1.141 27.458 ( -2.944 0.435 0.328) 2.994 27.564 ( -3.595 -0.564 -0.286) 3.650 33.501 ( 2.517 1.521 -0.841) 3.058 33.871 ( -0.905 -0.509 4.204) 4.330 34.190 ( 1.891 -0.220 -5.606) 5.921 34.892 ( -1.729 -0.218 2.169) 2.782 35.791 ( 2.105 1.316 -1.038) 2.690 35.992 ( 1.476 -0.864 0.577) 1.805 36.764 ( -0.406 0.103 -0.488) 0.643 37.016 ( -1.455 -1.962 0.561) 2.506 42.948 ( 14.926 8.346 -0.704) 17.115 43.166 ( 14.146 5.613 2.022) 15.353 43.370 ( 12.411 2.016 -2.722) 12.865 43.803 ( 12.320 -12.102 1.061) 17.302 45.188 ( -8.964 5.214 0.359) 10.377 45.390 ( -11.467 -4.043 -1.324) 12.231 45.756 ( -17.299 2.507 2.764) 17.697 46.059 ( -15.851 -7.245 -1.850) 17.526 56.013 ( 58.363 40.646 0.177) 71.122 57.239 ( 46.296 -33.309 -1.898) 57.065 58.452 ( 69.158 24.655 9.561) 74.041 62.762 ( -40.324 67.982 -21.265) 81.853 65.653 ( -36.710 -36.554 -7.553) 52.354 65.834 ( -13.583 16.503 6.242) 22.267 70.821 ( -16.601 -24.430 -2.989) 29.687 72.639 ( 2.573 -10.379 6.640) 12.587 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 9.077 -2.558 0.418) 9.439 2.150 ( 4.164 -6.602 -1.340) 7.919 2.400 ( 0.626 4.638 -6.339) 7.879 2.683 ( -3.019 5.551 4.630) 7.833 2.750 ( 3.797 3.540 1.939) 5.541 3.077 ( -3.541 -5.944 0.349) 6.927 3.221 ( -0.486 -6.586 0.502) 6.622 3.723 ( -2.657 -2.747 -1.824) 4.234 3.875 ( 2.502 2.001 -2.257) 3.919 4.003 ( -2.683 1.403 1.456) 3.359 4.189 ( 6.536 9.729 1.033) 11.766 4.425 ( -0.240 -0.249 1.058) 1.113 4.535 ( -1.319 -1.072 -1.674) 2.385 4.624 ( -1.167 -1.621 0.889) 2.186 4.947 ( 1.267 2.987 2.143) 3.889 5.065 ( 5.851 9.890 -1.391) 11.575 5.647 ( 1.091 -2.720 2.313) 3.733 5.806 ( 5.006 1.781 1.006) 5.408 5.869 ( 9.995 3.853 -1.762) 10.856 6.133 ( -1.831 1.494 -1.381) 2.737 6.203 ( 1.443 3.521 -2.186) 4.389 6.623 ( 4.285 2.273 0.936) 4.941 6.805 ( 18.058 11.755 -1.043) 21.573 7.215 ( -4.490 2.374 -0.853) 5.150 7.421 ( 1.623 -3.316 0.737) 3.765 7.813 ( 0.942 -0.790 2.492) 2.779 8.094 ( -4.259 5.284 -0.866) 6.842 8.486 ( 7.840 2.736 0.508) 8.319 8.915 ( -2.364 3.374 -1.069) 4.256 9.961 ( -25.504 -18.737 0.233) 31.648 10.191 ( 3.476 -2.102 -0.753) 4.131 10.803 ( -12.364 -14.851 1.029) 19.351 13.964 ( 26.531 19.006 -1.294) 32.662 14.841 ( 15.825 12.913 0.444) 20.429 15.191 ( -3.107 4.296 2.560) 5.887 15.666 ( 1.434 5.852 -2.075) 6.373 27.017 ( 0.122 0.245 0.256) 0.375 27.021 ( 0.471 0.219 -0.223) 0.565 27.071 ( 1.754 0.045 -0.106) 1.758 27.157 ( -0.489 -0.653 -0.055) 0.818 27.428 ( -1.323 -0.278 0.224) 1.371 27.540 ( -2.841 -1.345 -0.191) 3.149 33.489 ( 1.458 2.861 -0.449) 3.242 33.880 ( -0.415 -0.988 2.564) 2.779 34.203 ( 1.036 0.038 -3.446) 3.599 34.884 ( -1.123 -0.626 1.341) 1.858 35.787 ( 1.732 1.749 -0.575) 2.528 36.012 ( 0.063 -0.153 0.309) 0.351 36.764 ( 0.261 -0.433 -0.347) 0.613 37.041 ( -1.280 -2.945 0.377) 3.233 42.952 ( 12.850 11.202 -0.189) 17.048 43.232 ( 16.530 9.358 0.130) 18.996 43.409 ( 1.850 5.047 -0.249) 5.382 44.020 ( -2.352 -3.285 -0.058) 4.041 45.085 ( -0.908 -0.890 -0.046) 1.272 45.359 ( -1.976 -7.228 -0.125) 7.494 45.607 ( -11.529 -3.799 1.554) 12.237 46.012 ( -14.297 -10.025 -1.205) 17.503 56.091 ( 62.178 40.684 0.412) 74.307 57.885 ( 17.004 2.780 -4.120) 17.716 58.770 ( 51.714 30.436 9.784) 60.798 61.112 ( -40.088 74.231 -8.259) 84.767 65.271 ( -10.119 21.463 -0.922) 23.746 65.899 ( -30.576 -37.818 -4.046) 48.800 71.146 ( -9.260 -33.615 -1.200) 34.887 72.875 ( 1.666 -14.178 3.019) 14.592 ======================= Grid point 37 (26/172) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 7.461 -3.454 2.059) 8.476 2.202 ( -0.314 3.950 -1.046) 4.099 2.294 ( -6.913 0.800 -7.325) 10.103 2.577 ( 0.471 7.995 2.289) 8.329 2.801 ( 10.317 0.442 6.244) 12.068 3.080 ( -8.514 -3.828 -2.056) 9.559 3.363 ( 3.054 -8.564 0.616) 9.113 3.670 ( -4.498 2.422 -2.057) 5.507 3.900 ( 2.466 0.882 -1.353) 2.948 3.964 ( -2.109 -1.015 1.203) 2.631 4.108 ( 5.041 8.849 0.011) 10.184 4.446 ( 0.895 -1.349 1.099) 1.956 4.533 ( -1.060 -0.967 -1.389) 1.997 4.639 ( -0.581 -1.175 0.841) 1.557 4.908 ( 5.841 8.944 1.263) 10.756 4.976 ( -0.098 5.278 -0.776) 5.335 5.695 ( -1.461 -3.774 0.686) 4.104 5.790 ( 7.046 8.077 0.739) 10.744 5.930 ( 6.691 3.778 0.124) 7.685 6.058 ( -3.751 3.430 -1.838) 5.405 6.164 ( 1.128 3.548 -1.189) 3.908 6.570 ( -2.635 4.728 1.213) 5.547 6.828 ( 19.069 13.983 -1.956) 23.727 7.069 ( -6.461 3.681 1.918) 7.679 7.474 ( -8.814 4.518 2.235) 10.153 7.614 ( -14.985 13.265 -4.457) 20.503 7.800 ( -2.234 1.326 2.390) 3.530 8.369 ( -0.470 13.462 -0.199) 13.471 9.319 ( 25.304 -20.764 0.423) 32.736 9.958 ( -25.238 -19.666 -0.059) 31.996 10.419 ( 10.871 -11.001 -1.197) 15.512 10.936 ( -7.205 -17.509 0.990) 18.959 13.992 ( 28.359 18.479 -0.143) 33.849 14.697 ( -5.870 17.795 -0.805) 18.755 14.982 ( -1.171 13.552 1.722) 13.711 15.529 ( -2.686 10.615 -0.978) 10.994 27.013 ( 0.068 0.311 0.123) 0.341 27.022 ( 0.096 0.081 -0.154) 0.199 27.090 ( 2.042 0.571 0.075) 2.122 27.143 ( -2.078 0.358 -0.096) 2.110 27.442 ( 0.503 -1.804 0.108) 1.876 27.539 ( -1.757 -2.098 -0.091) 2.738 33.447 ( 0.451 3.691 -0.146) 3.721 33.898 ( -0.073 -1.254 0.998) 1.604 34.203 ( 0.379 0.461 -1.331) 1.459 34.889 ( -0.450 -1.044 0.498) 1.241 35.775 ( 1.143 1.888 -0.223) 2.218 36.001 ( -0.752 0.768 0.102) 1.080 36.780 ( 0.512 -0.904 -0.148) 1.050 37.076 ( -0.794 -2.892 0.172) 3.004 42.911 ( 10.537 11.954 0.082) 15.935 43.223 ( -1.590 8.362 -2.001) 8.744 43.296 ( 10.634 12.272 2.051) 16.368 43.849 ( -14.974 7.314 -0.307) 16.668 45.193 ( 6.415 -6.702 0.066) 9.278 45.533 ( -5.907 -6.022 -0.913) 8.485 45.632 ( 6.385 -14.229 1.857) 15.706 46.033 ( -11.234 -12.190 -0.849) 16.599 56.217 ( 66.655 41.583 0.935) 78.568 57.657 ( -19.937 19.681 -3.291) 28.207 58.519 ( 19.955 57.968 3.817) 61.425 59.471 ( -34.380 75.375 -1.470) 82.858 65.039 ( 2.975 1.167 0.146) 3.199 66.194 ( -18.919 -39.384 -2.092) 43.743 71.578 ( -3.104 -28.368 -0.443) 28.540 73.106 ( 0.992 -11.898 0.697) 11.960 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.000 14.167 -0.000) 14.167 2.155 ( -0.000 -2.402 0.000) 2.402 2.262 ( -0.000 -3.888 0.000) 3.888 2.429 ( 0.000 11.461 -0.000) 11.461 2.931 ( -0.000 -3.160 0.000) 3.160 3.019 ( 0.000 1.240 -0.000) 1.240 3.539 ( -0.000 -8.974 0.000) 8.974 3.573 ( 0.000 3.791 -0.000) 3.791 3.840 ( 0.000 6.570 -0.000) 6.570 4.017 ( -0.000 -5.023 0.000) 5.023 4.028 ( 0.000 6.047 -0.000) 6.047 4.480 ( -0.000 -1.271 0.000) 1.271 4.541 ( -0.000 -0.731 0.000) 0.731 4.624 ( 0.000 5.292 -0.000) 5.292 4.756 ( 0.000 11.628 -0.000) 11.628 4.917 ( 0.000 2.320 -0.000) 2.320 5.658 ( 0.000 7.994 -0.000) 7.994 5.779 ( -0.000 -2.805 0.000) 2.805 5.915 ( 0.000 8.590 -0.000) 8.590 5.928 ( 0.000 5.465 -0.000) 5.465 6.090 ( 0.000 4.912 -0.000) 4.912 6.488 ( 0.000 2.554 -0.000) 2.554 6.753 ( 0.000 15.016 -0.000) 15.016 7.010 ( 0.000 1.910 -0.000) 1.910 7.020 ( 0.000 15.145 -0.000) 15.145 7.567 ( 0.000 0.197 -0.000) 0.197 7.746 ( 0.000 3.860 -0.000) 3.860 8.204 ( 0.000 6.336 -0.000) 6.336 9.886 ( -0.000 -17.637 0.000) 17.637 10.040 ( -0.000 -21.967 0.000) 21.967 10.679 ( -0.000 -12.689 0.000) 12.689 11.196 ( -0.000 -19.190 0.000) 19.190 14.036 ( 0.000 11.924 -0.000) 11.924 14.135 ( 0.000 30.717 -0.000) 30.717 14.768 ( 0.000 16.387 -0.000) 16.387 15.289 ( 0.000 15.352 -0.000) 15.352 27.009 ( 0.000 0.396 -0.000) 0.396 27.022 ( -0.000 -0.103 0.000) 0.103 27.091 ( 0.000 1.466 -0.000) 1.466 27.117 ( 0.000 0.274 -0.000) 0.274 27.482 ( -0.000 -2.437 0.000) 2.437 27.567 ( -0.000 -2.770 0.000) 2.770 33.388 ( 0.000 3.821 -0.000) 3.821 33.919 ( -0.000 -1.315 0.000) 1.315 34.194 ( 0.000 0.878 -0.000) 0.878 34.906 ( -0.000 -1.290 0.000) 1.290 35.751 ( 0.000 2.072 -0.000) 2.072 35.980 ( 0.000 1.052 -0.000) 1.052 36.799 ( -0.000 -0.924 0.000) 0.924 37.110 ( -0.000 -1.980 0.000) 1.980 42.791 ( 0.000 12.313 -0.000) 12.313 43.044 ( 0.000 7.783 -0.000) 7.783 43.191 ( 0.000 13.806 -0.000) 13.806 43.596 ( 0.000 8.949 -0.000) 8.949 45.366 ( -0.000 -7.076 0.000) 7.076 45.548 ( -0.000 -4.521 0.000) 4.521 45.971 ( -0.000 -16.590 0.000) 16.590 46.145 ( -0.000 -12.856 0.000) 12.856 56.128 ( 0.000 46.127 -0.000) 46.127 56.995 ( 0.000 18.818 -0.000) 18.818 57.714 ( 0.000 70.221 -0.000) 70.221 57.897 ( 0.000 77.500 -0.000) 77.500 65.196 ( -0.000 -14.120 0.000) 14.120 66.724 ( -0.000 -41.558 0.000) 41.558 71.925 ( -0.000 -17.042 0.000) 17.042 73.256 ( -0.000 -5.635 0.000) 5.635 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 10.581 -0.000 -0.452) 10.591 2.004 ( 7.035 -0.000 -0.859) 7.087 2.475 ( -0.375 0.000 -5.430) 5.443 2.787 ( -4.642 0.000 4.431) 6.417 2.794 ( 3.280 -0.000 -0.175) 3.285 2.969 ( 0.672 -0.000 0.809) 1.052 3.099 ( -4.368 0.000 1.450) 4.602 3.639 ( -0.274 0.000 -0.783) 0.830 3.935 ( 1.105 -0.000 -3.766) 3.925 4.032 ( -3.505 0.000 1.701) 3.896 4.333 ( 2.251 -0.000 2.570) 3.416 4.472 ( 0.306 -0.000 0.377) 0.485 4.506 ( 0.376 -0.000 -0.923) 0.997 4.587 ( -1.531 0.000 0.682) 1.676 4.947 ( -5.427 0.000 1.241) 5.567 5.337 ( 2.252 -0.000 -1.839) 2.907 5.631 ( -3.932 0.000 3.040) 4.970 5.642 ( 20.543 -0.000 -1.221) 20.579 6.098 ( 1.375 -0.000 1.526) 2.054 6.122 ( 1.653 -0.000 -2.436) 2.944 6.327 ( -7.377 0.000 1.989) 7.641 6.442 ( 12.966 -0.000 -4.667) 13.781 7.256 ( 9.894 -0.000 -4.983) 11.078 7.336 ( -7.744 0.000 4.531) 8.973 7.453 ( 24.520 -0.000 -2.269) 24.624 7.546 ( 27.763 -0.000 1.801) 27.822 7.934 ( 5.961 -0.000 5.149) 7.877 8.651 ( 6.022 -0.000 -2.871) 6.672 9.294 ( -30.607 0.000 -5.337) 31.069 9.406 ( -19.094 0.000 4.283) 19.568 10.327 ( -12.640 0.000 -0.858) 12.669 10.392 ( -11.587 0.000 2.010) 11.760 14.285 ( 15.018 -0.000 -2.754) 15.268 15.127 ( 12.428 -0.000 1.381) 12.504 15.175 ( 11.962 -0.000 3.540) 12.475 15.771 ( 3.416 -0.000 -2.592) 4.288 27.019 ( 0.228 -0.000 0.320) 0.393 27.032 ( 0.695 -0.000 -0.026) 0.696 27.067 ( 1.623 -0.000 -0.618) 1.736 27.142 ( 0.655 -0.000 0.167) 0.675 27.428 ( -2.593 0.000 0.358) 2.617 27.518 ( -3.042 0.000 -0.327) 3.060 33.540 ( 1.902 -0.000 -0.602) 1.995 33.863 ( -0.634 0.000 2.928) 2.996 34.201 ( 1.351 -0.000 -4.007) 4.229 34.874 ( -1.388 0.000 1.629) 2.140 35.820 ( 1.285 -0.000 -0.752) 1.488 36.006 ( 1.443 -0.000 0.463) 1.515 36.759 ( -0.356 0.000 -0.390) 0.528 36.985 ( -1.142 0.000 0.436) 1.223 43.221 ( 15.420 -0.000 -1.552) 15.498 43.297 ( 7.254 -0.000 2.518) 7.678 43.638 ( 17.545 -0.000 -4.443) 18.099 43.807 ( 8.633 -0.000 3.179) 9.200 45.133 ( -9.029 0.000 1.749) 9.197 45.208 ( -9.345 0.000 -2.978) 9.808 45.564 ( -17.365 0.000 3.677) 17.750 45.811 ( -13.394 0.000 -2.438) 13.614 57.142 ( 39.903 -0.000 -6.955) 40.504 57.421 ( 56.407 -0.000 7.242) 56.870 59.341 ( 45.660 -0.000 10.451) 46.841 62.830 ( -45.274 0.000 -23.526) 51.022 64.870 ( -26.174 0.000 -0.109) 26.174 65.888 ( -8.843 0.000 3.504) 9.512 70.402 ( -14.582 0.000 -3.379) 14.968 72.590 ( 1.947 -0.000 5.328) 5.673 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 6.690 -0.489 -0.471) 6.724 2.102 ( 2.244 -3.510 -0.236) 4.173 2.436 ( -1.583 2.601 -4.226) 5.209 2.728 ( -1.352 2.775 2.863) 4.210 2.832 ( 3.243 -0.081 2.892) 4.346 2.974 ( -2.844 -1.425 -1.326) 3.446 3.109 ( -1.107 -5.569 0.401) 5.692 3.650 ( -1.154 -1.957 -0.481) 2.322 3.925 ( 1.136 1.771 -2.832) 3.528 3.992 ( -2.299 0.795 1.889) 3.080 4.342 ( 1.490 2.039 1.268) 2.825 4.444 ( 0.653 3.347 0.191) 3.415 4.513 ( -0.326 -0.269 -0.762) 0.872 4.585 ( -0.963 -1.512 0.512) 1.864 4.910 ( -2.900 -1.679 0.783) 3.441 5.298 ( 3.071 6.912 -1.268) 7.669 5.602 ( -2.317 -1.570 1.523) 3.186 5.896 ( 15.048 -2.498 -1.190) 15.300 6.064 ( 3.857 5.604 0.974) 6.872 6.122 ( -2.230 0.886 -1.068) 2.626 6.211 ( -7.125 0.664 1.046) 7.232 6.594 ( 5.145 -1.115 -2.761) 5.945 7.200 ( -6.319 3.987 2.596) 7.910 7.364 ( 8.852 3.249 -2.720) 9.814 7.507 ( 23.620 13.654 -0.471) 27.287 7.818 ( 1.956 1.611 2.959) 3.896 8.135 ( -2.611 4.952 0.008) 5.598 8.580 ( 5.832 -1.829 1.040) 6.200 8.958 ( -4.627 1.640 -3.684) 6.137 9.357 ( -22.237 -13.868 1.296) 26.239 10.204 ( 2.998 -1.815 -0.401) 3.527 10.414 ( -12.263 -13.427 0.925) 18.208 14.371 ( 10.049 5.784 -1.289) 11.666 15.158 ( 7.518 9.388 0.981) 12.067 15.267 ( 2.537 3.690 1.577) 4.748 15.766 ( 1.594 4.100 -1.451) 4.632 27.020 ( 0.051 0.117 0.167) 0.210 27.034 ( 0.402 0.541 -0.091) 0.680 27.088 ( 1.364 -0.489 -0.260) 1.472 27.148 ( -0.102 0.066 0.106) 0.161 27.407 ( -1.182 -0.479 0.209) 1.292 27.494 ( -1.795 -0.719 -0.189) 1.942 33.541 ( 0.924 1.829 -0.280) 2.069 33.866 ( -0.271 -0.650 1.434) 1.597 34.209 ( 0.627 -0.007 -1.982) 2.078 34.866 ( -0.717 -0.392 0.815) 1.154 35.823 ( 0.739 0.914 -0.352) 1.227 36.018 ( 0.512 0.258 0.219) 0.614 36.758 ( -0.032 -0.394 -0.211) 0.449 36.990 ( -0.681 -1.830 0.228) 1.966 43.264 ( 9.993 9.047 0.126) 13.480 43.398 ( 2.721 1.329 -0.330) 3.046 43.686 ( 14.266 11.151 -0.132) 18.108 43.940 ( -3.011 -2.414 0.061) 3.860 45.046 ( -2.706 -1.162 0.178) 2.950 45.198 ( -2.369 -9.429 -0.711) 9.748 45.423 ( -9.529 -2.597 1.934) 10.064 45.723 ( -9.543 -5.982 -1.258) 11.333 57.315 ( 42.336 23.443 -2.028) 48.436 57.994 ( 11.818 3.216 2.469) 12.494 59.674 ( 26.957 12.936 6.712) 30.645 61.794 ( -27.334 59.014 -9.917) 65.789 64.945 ( -17.357 -33.770 -2.931) 38.083 65.597 ( -5.920 22.763 1.565) 23.572 70.516 ( -7.020 -29.206 -1.488) 30.075 72.696 ( 0.940 -9.789 2.372) 10.116 ======================= Grid point 47 (30/172) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.000 -2.957 0.000) 2.957 2.150 ( -0.000 -2.907 0.000) 2.907 2.348 ( 0.000 6.214 -0.000) 6.214 2.672 ( 0.000 4.154 -0.000) 4.154 2.919 ( -0.000 -4.391 0.000) 4.391 2.924 ( 0.000 1.601 -0.000) 1.601 3.230 ( -0.000 -9.374 0.000) 9.374 3.659 ( -0.000 -0.177 0.000) 0.177 3.915 ( 0.000 0.058 -0.000) 0.058 3.959 ( 0.000 1.611 -0.000) 1.611 4.275 ( 0.000 7.923 -0.000) 7.923 4.426 ( -0.000 -0.953 0.000) 0.953 4.513 ( -0.000 -0.445 0.000) 0.445 4.610 ( -0.000 -1.982 0.000) 1.982 4.923 ( -0.000 -1.532 0.000) 1.532 5.186 ( 0.000 10.419 -0.000) 10.419 5.627 ( -0.000 -3.152 0.000) 3.152 5.986 ( 0.000 7.366 -0.000) 7.366 6.027 ( 0.000 2.329 -0.000) 2.329 6.063 ( 0.000 2.093 -0.000) 2.093 6.176 ( -0.000 -1.733 0.000) 1.733 6.581 ( 0.000 3.435 -0.000) 3.435 7.093 ( 0.000 4.238 -0.000) 4.238 7.334 ( 0.000 13.172 -0.000) 13.172 7.564 ( 0.000 15.799 -0.000) 15.799 7.604 ( 0.000 7.646 -0.000) 7.646 7.833 ( 0.000 5.322 -0.000) 5.322 8.596 ( 0.000 13.386 -0.000) 13.386 9.252 ( -0.000 -21.930 0.000) 21.930 9.369 ( -0.000 -17.954 0.000) 17.954 10.351 ( -0.000 -7.296 0.000) 7.296 10.575 ( -0.000 -19.126 0.000) 19.126 14.346 ( 0.000 7.088 -0.000) 7.088 14.963 ( 0.000 19.672 -0.000) 19.672 15.175 ( 0.000 8.972 -0.000) 8.972 15.673 ( 0.000 8.475 -0.000) 8.475 27.018 ( 0.000 0.220 -0.000) 0.220 27.028 ( 0.000 0.471 -0.000) 0.471 27.110 ( -0.000 -0.704 0.000) 0.704 27.134 ( 0.000 1.046 -0.000) 1.046 27.418 ( -0.000 -1.489 0.000) 1.489 27.499 ( -0.000 -1.418 0.000) 1.418 33.506 ( 0.000 3.195 -0.000) 3.195 33.879 ( -0.000 -1.092 0.000) 1.092 34.210 ( 0.000 0.171 -0.000) 0.171 34.872 ( -0.000 -0.796 0.000) 0.796 35.809 ( 0.000 1.452 -0.000) 1.452 36.011 ( 0.000 0.805 -0.000) 0.805 36.769 ( -0.000 -0.848 0.000) 0.848 37.024 ( -0.000 -2.866 0.000) 2.866 43.187 ( 0.000 11.343 -0.000) 11.343 43.300 ( 0.000 7.583 -0.000) 7.583 43.637 ( 0.000 13.424 -0.000) 13.424 43.820 ( 0.000 4.641 -0.000) 4.641 45.118 ( -0.000 -7.282 0.000) 7.282 45.411 ( -0.000 -3.739 0.000) 3.739 45.427 ( -0.000 -16.625 0.000) 16.625 45.777 ( -0.000 -9.308 0.000) 9.308 57.464 ( 0.000 11.321 -0.000) 11.321 57.523 ( 0.000 38.869 -0.000) 38.869 59.504 ( 0.000 34.321 -0.000) 34.321 60.505 ( 0.000 79.071 -0.000) 79.071 65.199 ( 0.000 17.802 -0.000) 17.802 65.428 ( -0.000 -39.844 0.000) 39.844 71.027 ( -0.000 -36.689 0.000) 36.689 72.900 ( -0.000 -14.011 0.000) 14.011 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.000 -0.000 0.000) 0.000 2.097 ( 0.000 -0.000 0.000) 0.000 2.443 ( 0.000 -0.000 0.000) 0.000 2.744 ( 0.000 -0.000 0.000) 0.000 2.842 ( 0.000 -0.000 0.000) 0.000 2.953 ( 0.000 -0.000 -0.000) 0.000 3.053 ( 0.000 -0.000 0.000) 0.000 3.630 ( 0.000 -0.000 -0.000) 0.000 3.945 ( -0.000 0.000 0.000) 0.000 3.985 ( 0.000 -0.000 -0.000) 0.000 4.354 ( 0.000 -0.000 0.000) 0.000 4.490 ( 0.000 -0.000 0.000) 0.000 4.511 ( 0.000 -0.000 0.000) 0.000 4.565 ( 0.000 -0.000 0.000) 0.000 4.873 ( 0.000 -0.000 0.000) 0.000 5.362 ( 0.000 -0.000 0.000) 0.000 5.573 ( 0.000 -0.000 0.000) 0.000 6.046 ( 0.000 -0.000 -0.000) 0.000 6.075 ( 0.000 -0.000 0.000) 0.000 6.122 ( 0.000 -0.000 0.000) 0.000 6.130 ( 0.000 -0.000 0.000) 0.000 6.648 ( 0.000 -0.000 -0.000) 0.000 7.188 ( 0.000 -0.000 0.000) 0.000 7.401 ( 0.000 -0.000 0.000) 0.000 7.725 ( -0.000 0.000 0.000) 0.000 8.044 ( 0.000 -0.000 0.000) 0.000 8.227 ( 0.000 -0.000 0.000) 0.000 8.553 ( -0.000 0.000 -0.000) 0.000 8.709 ( 0.000 -0.000 0.000) 0.000 9.239 ( -0.000 0.000 0.000) 0.000 10.172 ( 0.000 -0.000 0.000) 0.000 10.235 ( 0.000 -0.000 0.000) 0.000 14.461 ( 0.000 -0.000 0.000) 0.000 15.281 ( 0.000 -0.000 0.000) 0.000 15.326 ( 0.000 -0.000 0.000) 0.000 15.809 ( 0.000 -0.000 0.000) 0.000 27.022 ( 0.000 -0.000 0.000) 0.000 27.042 ( 0.000 -0.000 0.000) 0.000 27.090 ( 0.000 -0.000 0.000) 0.000 27.151 ( 0.000 -0.000 0.000) 0.000 27.394 ( 0.000 -0.000 0.000) 0.000 27.477 ( 0.000 -0.000 -0.000) 0.000 33.562 ( 0.000 -0.000 0.000) 0.000 33.859 ( 0.000 -0.000 -0.000) 0.000 34.211 ( 0.000 -0.000 0.000) 0.000 34.859 ( 0.000 -0.000 -0.000) 0.000 35.834 ( 0.000 -0.000 0.000) 0.000 36.025 ( 0.000 -0.000 -0.000) 0.000 36.754 ( 0.000 -0.000 0.000) 0.000 36.971 ( 0.000 -0.000 0.000) 0.000 43.394 ( 0.000 -0.000 0.000) 0.000 43.442 ( 0.000 -0.000 0.000) 0.000 43.886 ( 0.000 -0.000 0.000) 0.000 43.901 ( 0.000 -0.000 0.000) 0.000 45.030 ( 0.000 -0.000 0.000) 0.000 45.056 ( 0.000 -0.000 0.000) 0.000 45.345 ( 0.000 -0.000 0.000) 0.000 45.619 ( 0.000 -0.000 0.000) 0.000 57.655 ( 0.000 -0.000 0.000) 0.000 58.251 ( 0.000 -0.000 0.000) 0.000 59.908 ( 0.000 -0.000 0.000) 0.000 62.114 ( 0.000 -0.000 0.000) 0.000 64.529 ( 0.000 -0.000 0.000) 0.000 65.782 ( 0.000 -0.000 0.000) 0.000 70.208 ( 0.000 -0.000 0.000) 0.000 72.622 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/172) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -7.442 0.000 22.234) 23.447 0.489 ( -8.633 0.000 23.599) 25.129 0.856 ( 0.792 -0.000 40.901) 40.909 2.138 ( -1.447 0.000 -13.360) 13.438 2.207 ( 5.154 -0.000 -11.974) 13.036 3.093 ( 2.850 -0.000 3.227) 4.305 3.176 ( 8.512 -0.000 4.247) 9.512 3.360 ( -1.318 0.000 1.141) 1.743 3.584 ( 1.183 -0.000 1.594) 1.985 3.590 ( -3.826 0.000 -15.961) 16.413 4.247 ( -23.287 0.000 -2.075) 23.379 4.276 ( 0.831 -0.000 -3.135) 3.243 4.468 ( 2.715 -0.000 0.873) 2.851 4.504 ( 1.010 -0.000 0.073) 1.013 4.665 ( -1.158 0.000 5.990) 6.101 4.773 ( 4.810 -0.000 4.314) 6.461 4.957 ( -2.494 0.000 -1.858) 3.110 5.137 ( 18.351 -0.000 -0.297) 18.354 5.451 ( 28.601 -0.000 3.043) 28.763 5.943 ( -0.760 0.000 -4.133) 4.202 6.301 ( -1.399 0.000 -0.034) 1.400 6.459 ( 1.591 -0.000 -1.784) 2.390 6.818 ( -38.285 0.000 1.883) 38.332 6.959 ( 12.054 -0.000 -0.366) 12.060 7.027 ( -12.109 0.000 2.303) 12.326 7.311 ( 4.180 -0.000 -2.156) 4.703 8.031 ( -14.107 0.000 0.819) 14.130 8.101 ( 1.560 -0.000 -0.299) 1.588 10.715 ( -5.611 0.000 0.352) 5.622 10.750 ( 107.011 -0.000 -0.175) 107.011 11.763 ( -4.086 0.000 0.517) 4.119 11.862 ( 7.596 -0.000 -1.172) 7.686 11.933 ( -43.949 0.000 1.248) 43.967 12.065 ( 6.461 -0.000 -0.990) 6.537 13.388 ( -0.772 0.000 1.889) 2.041 13.606 ( 0.604 -0.000 -1.353) 1.482 26.955 ( -0.253 0.000 0.508) 0.568 27.035 ( 0.267 -0.000 -0.881) 0.920 27.048 ( 0.175 -0.000 0.154) 0.233 27.059 ( -1.685 0.000 0.228) 1.701 27.659 ( -0.043 0.000 0.809) 0.810 27.770 ( 0.029 -0.000 -0.821) 0.822 33.272 ( -8.967 0.000 2.111) 9.212 33.776 ( 3.476 -0.000 -9.558) 10.170 34.205 ( -4.413 0.000 10.870) 11.731 34.941 ( 2.079 -0.000 -4.464) 4.924 35.684 ( -5.543 0.000 1.809) 5.831 35.859 ( 0.737 -0.000 -1.007) 1.248 36.840 ( -0.584 0.000 1.542) 1.649 37.035 ( 0.550 -0.000 -1.346) 1.454 42.246 ( -0.348 0.000 2.124) 2.152 42.619 ( 0.165 -0.000 -4.645) 4.648 42.809 ( -4.037 0.000 2.296) 4.644 42.869 ( 0.503 -0.000 0.123) 0.517 45.522 ( -1.729 0.000 1.000) 1.997 45.646 ( 1.725 -0.000 -0.831) 1.915 46.823 ( -1.433 0.000 0.431) 1.496 46.885 ( 1.258 -0.000 -0.470) 1.343 53.130 ( 61.922 -0.000 0.687) 61.926 53.210 ( -4.911 0.000 -0.494) 4.935 53.627 ( 3.174 -0.000 0.709) 3.253 53.728 ( -3.343 0.000 -0.774) 3.432 66.938 ( 3.078 -0.000 3.525) 4.679 67.400 ( 1.852 -0.000 -3.247) 3.738 71.831 ( -1.852 0.000 2.101) 2.800 72.161 ( 2.287 -0.000 -2.745) 3.573 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 3.113 -18.170 15.691) 24.209 0.825 ( 13.026 -15.258 16.595) 26.036 1.245 ( 23.522 -24.022 22.677) 40.554 2.125 ( 2.288 0.690 -12.872) 13.092 2.304 ( 9.166 -4.200 -8.109) 12.939 3.074 ( 0.714 3.749 3.185) 4.971 3.363 ( -2.597 2.923 -10.939) 11.617 3.438 ( 4.007 -3.631 -0.872) 5.477 3.587 ( 15.946 -10.770 -2.164) 19.364 3.649 ( 1.977 -3.603 2.390) 4.754 4.008 ( -4.111 3.725 0.855) 5.613 4.293 ( -0.959 -0.923 -2.986) 3.270 4.468 ( -1.065 0.779 0.473) 1.401 4.548 ( 0.797 -1.420 1.539) 2.241 4.660 ( -0.469 1.215 5.399) 5.554 4.842 ( 1.584 0.229 2.340) 2.835 4.985 ( -0.415 -8.276 0.599) 8.308 5.100 ( 6.532 6.450 0.557) 9.197 5.617 ( 9.732 7.087 4.453) 12.836 6.092 ( 0.962 -10.092 -9.659) 14.003 6.257 ( -6.967 3.173 3.559) 8.443 6.317 ( -8.834 5.069 5.365) 11.512 6.472 ( 1.748 0.027 -0.183) 1.758 6.806 ( -14.134 3.352 4.145) 15.106 7.099 ( 12.276 4.674 -1.145) 13.186 7.388 ( 3.434 -4.053 -1.024) 5.410 7.655 ( -4.400 4.889 10.607) 12.481 8.137 ( -3.528 -1.856 -2.217) 4.562 10.628 ( 4.182 3.644 1.428) 5.728 11.141 ( -27.493 11.823 0.381) 29.930 11.730 ( -13.232 -3.593 -1.686) 13.814 11.855 ( 2.151 3.317 -1.151) 4.118 12.048 ( 6.372 3.253 -0.829) 7.202 13.281 ( 68.228 -11.895 -34.118) 77.205 13.529 ( 15.437 -5.641 -8.189) 18.362 13.886 ( 35.063 -24.212 -14.649) 45.058 26.959 ( 0.046 -0.495 0.360) 0.614 27.037 ( 0.308 -0.164 -0.580) 0.677 27.044 ( -0.306 0.238 0.136) 0.411 27.057 ( -0.031 -0.654 0.012) 0.655 27.648 ( -0.919 0.776 0.766) 1.426 27.755 ( -0.843 0.942 -0.876) 1.538 33.242 ( 1.424 -0.389 1.790) 2.320 33.824 ( 3.306 -1.507 -10.495) 11.107 34.194 ( -4.798 -2.311 9.723) 11.086 34.955 ( 1.701 0.340 -3.609) 4.005 35.634 ( -1.737 -0.426 2.899) 3.407 35.884 ( 0.545 -1.513 -1.198) 2.005 36.837 ( -0.640 -0.069 1.443) 1.580 37.050 ( 0.774 -1.091 -1.320) 1.879 42.267 ( 1.612 -0.954 1.878) 2.653 42.520 ( -2.251 1.328 2.108) 3.358 42.739 ( 0.576 -1.009 3.550) 3.736 42.942 ( 2.955 -5.312 -0.884) 6.142 45.607 ( 9.415 3.816 -1.885) 10.332 45.721 ( 0.593 -0.846 -2.914) 3.092 46.756 ( -5.590 3.834 -0.472) 6.795 46.857 ( -1.951 2.041 0.137) 2.827 53.199 ( 10.410 4.118 -0.439) 11.204 53.759 ( 6.000 -5.771 0.039) 8.326 53.994 ( 23.217 -24.561 -0.896) 33.809 56.691 ( 275.319 -6.759 -132.453) 305.598 66.702 ( 1.847 14.883 13.323) 20.060 67.892 ( -19.436 -34.210 -50.570) 64.074 71.925 ( -4.601 -13.941 1.116) 14.723 72.297 ( 3.511 -14.483 -4.166) 15.474 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 6.418 -16.439 9.542) 20.062 1.208 ( 9.658 -14.923 15.991) 23.910 1.927 ( 14.928 -20.028 1.639) 25.033 2.133 ( 4.979 -0.670 -9.515) 10.760 2.539 ( 16.158 -7.812 -0.150) 17.948 3.034 ( -2.500 1.657 1.125) 3.204 3.166 ( -4.780 7.991 -9.781) 13.505 3.519 ( 1.488 -2.963 -0.762) 3.402 3.715 ( -1.518 -3.687 1.952) 4.439 3.957 ( 5.930 -0.405 2.038) 6.284 4.053 ( 12.480 -8.614 -3.578) 15.581 4.314 ( 6.338 -0.134 0.204) 6.343 4.443 ( -0.439 0.085 -2.129) 2.175 4.585 ( 0.979 -1.762 3.964) 4.448 4.622 ( 0.740 3.422 3.134) 4.699 4.836 ( -0.576 0.342 2.545) 2.632 5.100 ( 3.988 -7.324 -1.825) 8.537 5.253 ( 9.614 -6.165 -0.007) 11.420 5.649 ( 3.422 -1.214 9.894) 10.539 6.023 ( -5.090 5.936 -5.103) 9.337 6.228 ( -0.070 0.505 -2.109) 2.170 6.323 ( 1.283 -4.410 -2.552) 5.254 6.471 ( -2.227 1.823 1.249) 3.137 6.717 ( 4.108 -5.729 3.397) 7.826 7.156 ( 10.100 3.870 -1.686) 10.947 7.484 ( 2.559 -3.100 -0.974) 4.136 7.623 ( 0.066 0.374 6.302) 6.313 8.116 ( -2.155 -0.602 -3.144) 3.859 10.587 ( -24.298 17.843 0.640) 30.153 10.643 ( 1.892 0.049 0.505) 1.959 11.458 ( -22.115 9.617 -0.535) 24.121 11.834 ( 4.486 4.102 -0.247) 6.084 12.041 ( -4.116 -2.081 0.841) 4.688 13.550 ( 1.922 -3.729 0.131) 4.198 14.065 ( 36.661 -12.435 -8.763) 39.692 14.665 ( 36.686 -12.640 -17.400) 42.525 26.971 ( 0.296 -0.721 0.238) 0.815 27.031 ( -0.763 0.145 0.301) 0.833 27.047 ( 0.379 -0.116 -0.254) 0.470 27.076 ( 0.971 -1.099 -0.546) 1.565 27.614 ( -1.770 1.646 0.581) 2.486 27.722 ( -1.132 1.338 -0.754) 1.908 33.278 ( 2.627 -0.386 1.174) 2.903 33.858 ( 2.686 -0.277 -9.811) 10.175 34.192 ( -3.754 -2.217 9.257) 10.232 34.957 ( 0.877 0.757 -2.670) 2.910 35.644 ( 0.081 -1.016 1.653) 1.942 35.918 ( 1.359 -1.713 -0.789) 2.325 36.828 ( -1.196 0.049 1.592) 1.992 37.082 ( 0.984 -1.777 -1.585) 2.576 42.308 ( 2.015 -0.720 1.057) 2.387 42.534 ( 0.286 -1.918 0.534) 2.011 42.814 ( 5.777 -3.629 1.149) 6.918 43.152 ( 11.416 -10.545 -0.159) 15.541 45.588 ( -1.906 6.256 -2.318) 6.939 45.718 ( 2.126 -0.929 1.139) 2.584 46.550 ( -11.392 9.127 -1.078) 14.637 46.791 ( -2.974 2.422 0.373) 3.854 53.288 ( 14.397 3.784 -0.215) 14.888 53.969 ( 10.968 -7.291 -0.404) 13.177 54.965 ( 43.205 -45.234 1.775) 62.578 58.765 ( 161.818 32.811 -67.549) 178.394 66.454 ( -6.222 19.570 11.425) 23.500 67.794 ( -23.184 -5.540 -47.676) 53.303 72.083 ( -6.748 -13.433 4.078) 15.576 72.617 ( 3.092 -18.696 -7.589) 20.413 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.920 -10.273 5.572) 13.101 1.585 ( 8.835 -15.671 11.388) 21.292 2.075 ( -1.382 -3.160 -9.785) 10.375 2.290 ( 5.827 -0.877 -4.525) 7.430 2.871 ( -4.933 5.077 -2.458) 7.494 2.952 ( 14.683 -13.060 -1.577) 19.714 3.110 ( 3.834 1.024 6.773) 7.850 3.561 ( -2.055 -3.674 -3.438) 5.435 3.729 ( -0.244 0.185 0.795) 0.852 4.000 ( 4.751 2.336 1.698) 5.560 4.175 ( -1.794 -3.616 -5.627) 6.925 4.386 ( 4.519 2.218 0.717) 5.085 4.474 ( 3.481 -0.299 -0.253) 3.503 4.553 ( -2.055 1.571 0.911) 2.743 4.695 ( 5.027 -2.127 2.468) 5.991 4.842 ( -0.468 -1.481 3.443) 3.777 5.234 ( 1.364 1.069 -0.871) 1.939 5.498 ( 7.168 -13.747 -0.910) 15.530 5.702 ( 0.222 1.362 5.435) 5.607 5.957 ( 7.359 0.489 -1.524) 7.531 6.211 ( -0.258 0.669 -0.076) 0.721 6.248 ( -7.325 3.750 2.830) 8.702 6.599 ( 9.907 -9.357 -4.627) 14.391 7.064 ( 19.437 -17.042 1.960) 25.924 7.230 ( 10.224 1.364 -1.887) 10.486 7.540 ( -0.244 -2.411 -0.058) 2.424 7.633 ( 2.641 1.338 3.207) 4.365 8.097 ( -1.038 -0.071 -3.405) 3.560 9.993 ( -25.727 19.178 0.069) 32.088 10.672 ( 1.513 -0.434 0.239) 1.592 10.959 ( -25.581 15.334 0.914) 29.838 11.827 ( 6.089 4.798 -0.134) 7.754 12.022 ( -7.498 -4.080 1.010) 8.595 13.624 ( 1.249 -3.304 0.113) 3.534 14.657 ( 28.684 -12.465 -3.895) 31.517 15.137 ( 20.424 -7.450 -7.559) 23.018 26.987 ( 0.356 -0.607 0.064) 0.707 27.022 ( -0.546 -0.035 0.361) 0.656 27.051 ( 0.033 -0.044 0.067) 0.086 27.113 ( 1.727 -1.623 -0.709) 2.474 27.557 ( -2.358 2.319 0.334) 3.325 27.689 ( -0.941 1.117 -0.471) 1.534 33.317 ( 2.316 -0.562 1.306) 2.717 33.866 ( 1.652 0.808 -8.639) 8.833 34.207 ( -2.188 -2.464 8.283) 8.914 34.944 ( 0.225 1.147 -2.134) 2.433 35.663 ( 0.217 -0.787 1.108) 1.376 35.968 ( 2.047 -1.860 -0.577) 2.825 36.812 ( -1.511 0.138 1.834) 2.380 37.119 ( 0.850 -1.632 -1.886) 2.635 42.333 ( 1.182 0.025 0.297) 1.219 42.556 ( -0.854 -1.140 0.435) 1.490 42.996 ( 10.112 -6.309 -0.006) 11.919 43.526 ( 16.689 -14.194 0.148) 21.909 45.406 ( -8.315 7.073 -0.625) 10.934 45.780 ( 2.940 -1.414 1.288) 3.507 46.211 ( -14.562 12.505 -1.579) 19.259 46.714 ( -3.193 2.507 0.315) 4.072 53.406 ( 12.505 2.190 -0.116) 12.695 54.221 ( 11.935 -6.323 -0.300) 13.510 56.367 ( 51.264 -56.143 3.495) 76.107 59.689 ( 91.453 29.698 -25.430) 99.460 65.928 ( -18.042 27.633 4.327) 33.284 67.587 ( -10.664 -3.759 -30.828) 32.837 72.193 ( -6.978 -9.636 5.700) 13.192 72.889 ( 1.119 -13.706 -9.074) 16.475 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 1.811 -2.472 1.191) 3.287 1.926 ( 4.304 -14.364 5.313) 15.909 2.139 ( 1.962 -7.550 -3.524) 8.560 2.245 ( 1.605 9.446 -6.415) 11.531 2.718 ( -4.355 4.282 -0.814) 6.162 3.093 ( -1.430 1.616 4.796) 5.259 3.351 ( 11.554 -9.787 3.557) 15.554 3.596 ( -1.855 -4.307 -3.301) 5.735 3.724 ( 1.461 0.818 -2.059) 2.654 3.992 ( 1.230 3.732 1.954) 4.389 4.191 ( -1.909 -2.943 -4.788) 5.935 4.385 ( 2.523 2.786 0.890) 3.862 4.512 ( 1.779 1.401 -0.977) 2.466 4.538 ( 1.788 -2.078 -0.399) 2.771 4.743 ( 1.143 0.728 1.077) 1.731 4.879 ( -1.383 -3.446 3.939) 5.413 5.159 ( -3.466 3.946 0.333) 5.263 5.536 ( -0.859 4.501 -3.247) 5.616 5.857 ( 3.540 -8.510 0.068) 9.217 6.049 ( 2.492 0.581 3.993) 4.742 6.154 ( -1.810 -0.459 3.762) 4.200 6.205 ( 0.050 0.124 1.166) 1.173 6.876 ( 9.805 -7.830 -3.568) 13.045 7.372 ( 10.259 -3.762 -1.580) 11.041 7.518 ( 1.434 -3.684 1.447) 4.210 7.627 ( 9.647 -2.213 1.125) 9.961 7.717 ( 16.216 -13.756 0.298) 21.267 8.093 ( 1.433 -0.353 -3.480) 3.780 9.380 ( -24.635 18.788 0.236) 30.983 10.410 ( -23.226 12.424 0.651) 26.349 10.708 ( 2.225 0.804 0.622) 2.446 11.827 ( 6.468 4.620 -0.140) 7.950 11.996 ( -7.815 -4.155 0.923) 8.899 13.680 ( 0.752 -2.080 0.104) 2.214 15.094 ( 18.093 -7.107 -2.288) 19.573 15.380 ( 6.988 -3.735 -3.759) 8.770 26.996 ( 0.098 -0.156 0.042) 0.189 27.023 ( -0.032 -0.434 0.181) 0.471 27.049 ( -0.171 0.182 0.236) 0.344 27.161 ( 1.670 -1.589 -0.627) 2.388 27.494 ( -1.997 2.015 0.203) 2.844 27.665 ( -0.523 0.608 -0.269) 0.846 33.352 ( 1.346 -0.608 1.529) 2.126 33.849 ( 0.847 1.494 -7.716) 7.904 34.241 ( -1.038 -2.617 7.583) 8.089 34.922 ( -0.006 1.331 -2.219) 2.588 35.677 ( 0.042 -0.543 1.003) 1.141 36.015 ( 1.581 -1.196 -0.592) 2.069 36.797 ( -1.226 0.035 2.114) 2.444 37.145 ( 0.615 -0.858 -2.138) 2.384 42.341 ( 0.548 0.143 -0.045) 0.569 42.557 ( -0.845 -0.445 0.501) 1.079 43.212 ( 8.446 -5.345 -0.243) 9.998 43.949 ( 15.191 -12.538 0.241) 19.698 45.206 ( -6.972 5.104 0.163) 8.642 45.738 ( -10.763 6.945 0.941) 12.843 45.926 ( -1.064 3.568 -1.554) 4.034 46.645 ( -2.385 1.726 0.235) 2.954 53.502 ( 6.770 0.643 -0.228) 6.805 54.424 ( 7.804 -3.605 -0.042) 8.597 57.841 ( 42.045 -53.164 3.505) 67.871 59.941 ( 34.913 31.094 -7.402) 47.334 65.313 ( -14.904 20.385 1.733) 25.312 67.555 ( -1.712 -5.555 -18.778) 19.657 72.230 ( -5.587 -3.378 4.838) 8.126 73.047 ( 0.499 -6.968 -10.011) 12.208 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -2.772 1.325 -1.905) 3.615 2.046 ( -2.232 13.314 -3.672) 13.990 2.128 ( -1.788 -9.871 -1.129) 10.095 2.358 ( 8.544 -9.683 2.283) 13.113 2.616 ( -2.519 3.869 -0.227) 4.623 3.035 ( -2.637 1.894 5.467) 6.358 3.534 ( 2.201 0.668 2.001) 3.049 3.623 ( 0.462 -1.848 -0.845) 2.083 3.740 ( -0.062 -2.298 -4.340) 4.911 3.927 ( -2.721 2.789 0.367) 3.914 4.220 ( -0.647 -3.424 -3.128) 4.683 4.385 ( 1.770 0.381 1.467) 2.330 4.488 ( 3.162 4.238 -1.666) 5.544 4.575 ( -4.598 -1.658 -1.589) 5.140 4.752 ( 4.868 1.088 1.175) 5.125 4.907 ( -2.731 -1.719 3.723) 4.926 5.088 ( -0.104 1.167 1.156) 1.646 5.489 ( 2.095 0.913 -3.972) 4.583 5.906 ( 0.393 4.448 -2.067) 4.920 6.060 ( -4.445 -4.555 5.025) 8.110 6.183 ( 0.246 -1.335 3.623) 3.869 6.209 ( -0.207 -0.354 2.565) 2.598 7.005 ( 2.277 -0.492 -2.404) 3.347 7.460 ( -3.443 0.525 -0.505) 3.519 7.537 ( 0.054 -0.572 0.308) 0.652 7.689 ( 4.053 1.132 1.680) 4.531 8.089 ( 0.774 -3.796 -3.329) 5.108 8.133 ( -0.435 2.838 -0.643) 2.942 8.982 ( 0.109 -0.274 0.750) 0.806 10.129 ( -1.266 0.115 0.486) 1.361 10.716 ( 0.682 0.647 0.351) 1.004 11.831 ( 2.910 2.119 -0.124) 3.602 11.978 ( -3.197 -1.939 0.760) 3.815 13.702 ( -0.315 -0.210 0.103) 0.392 15.287 ( 4.669 0.469 -0.957) 4.789 15.416 ( -4.433 -0.075 -3.935) 5.927 26.997 ( 0.032 -0.015 0.114) 0.119 27.032 ( 0.228 -0.411 -0.069) 0.475 27.041 ( -0.377 0.502 0.346) 0.717 27.187 ( 0.106 -0.138 -0.544) 0.572 27.462 ( 0.003 0.049 0.178) 0.185 27.657 ( 0.004 -0.033 -0.203) 0.205 33.370 ( -0.167 -0.452 1.843) 1.905 33.820 ( 0.694 1.740 -7.510) 7.740 34.284 ( -0.666 -2.438 7.767) 8.168 34.898 ( 0.214 1.244 -2.868) 3.134 35.686 ( -0.107 -0.441 1.132) 1.220 36.033 ( 0.035 0.167 -0.701) 0.722 36.792 ( -0.362 -0.260 2.325) 2.368 37.153 ( 0.421 0.221 -2.290) 2.339 42.345 ( 0.073 -0.187 -0.069) 0.212 42.554 ( -0.220 0.140 0.461) 0.529 43.316 ( 0.189 -0.140 -0.211) 0.316 44.170 ( -0.105 0.052 0.316) 0.337 45.123 ( 0.239 -0.400 0.585) 0.748 45.555 ( 0.207 0.414 -0.417) 0.623 45.922 ( 0.255 -0.047 -0.422) 0.496 46.615 ( -0.365 -0.153 0.174) 0.432 53.538 ( -0.520 -0.404 -0.322) 0.733 54.504 ( 0.152 -0.148 0.159) 0.265 58.694 ( -0.141 2.834 2.755) 3.955 59.744 ( 0.803 -3.047 -2.565) 4.063 65.049 ( -0.335 0.679 2.636) 2.742 67.651 ( 4.122 -7.878 -12.624) 15.441 72.183 ( -2.817 3.379 2.308) 4.968 73.090 ( 1.069 0.960 -10.259) 10.360 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -5.842 4.754 -1.801) 7.744 1.770 ( -6.391 14.488 0.832) 15.857 2.220 ( -2.770 -5.525 -3.480) 7.093 2.519 ( -1.918 4.529 0.728) 4.972 2.584 ( 4.987 -6.295 -3.591) 8.797 3.041 ( 2.691 -2.431 8.058) 8.836 3.385 ( -7.669 11.284 2.939) 13.957 3.644 ( 0.828 1.324 -4.214) 4.494 3.763 ( -2.716 -1.207 -1.371) 3.273 3.877 ( -3.633 -2.912 -0.694) 4.707 4.259 ( -1.636 -2.816 -2.735) 4.253 4.414 ( 1.165 -0.911 2.670) 3.052 4.451 ( 3.292 5.357 -1.764) 6.531 4.518 ( -3.851 -0.935 -1.343) 4.184 4.796 ( 3.877 1.607 2.046) 4.669 4.886 ( -3.425 -0.007 4.029) 5.288 5.112 ( 2.346 -0.693 -0.632) 2.527 5.544 ( 3.836 -2.969 -4.346) 6.513 5.779 ( -3.758 8.688 -0.107) 9.467 6.029 ( -6.888 0.704 1.612) 7.109 6.209 ( -0.080 -0.573 1.969) 2.052 6.236 ( -0.463 -3.589 5.752) 6.795 6.944 ( -6.610 5.049 -1.472) 8.447 7.322 ( -5.387 7.615 -2.459) 9.646 7.513 ( -7.897 -2.427 1.115) 8.336 7.664 ( -11.988 8.452 2.244) 14.838 7.731 ( -10.632 12.771 0.801) 16.637 8.100 ( -0.775 -0.716 -3.617) 3.768 9.387 ( 24.195 -19.064 0.428) 30.806 10.390 ( 21.109 -13.833 0.068) 25.237 10.705 ( 0.175 1.313 0.547) 1.433 11.828 ( -2.213 -1.283 -0.135) 2.561 11.984 ( 2.999 1.271 0.584) 3.309 13.680 ( -1.445 1.602 0.087) 2.159 15.158 ( -13.036 8.618 1.100) 15.666 15.295 ( -11.291 2.919 -7.828) 14.046 26.999 ( 0.139 -0.061 0.120) 0.193 27.025 ( -0.579 0.805 0.395) 1.067 27.039 ( 0.289 -0.155 -0.207) 0.388 27.166 ( -1.450 1.252 -0.439) 1.965 27.493 ( 1.997 -1.912 0.173) 2.770 27.666 ( 0.547 -0.678 -0.251) 0.907 33.367 ( -1.790 -0.352 2.235) 2.885 33.791 ( 1.108 1.648 -7.889) 8.135 34.321 ( -1.063 -1.758 8.653) 8.894 34.882 ( 0.820 0.887 -3.866) 4.050 35.692 ( -0.290 -0.410 1.448) 1.533 36.009 ( -1.466 1.509 -0.814) 2.256 36.803 ( 0.458 -0.489 2.369) 2.462 37.141 ( 0.242 1.299 -2.327) 2.676 42.349 ( -0.457 -0.536 0.171) 0.725 42.548 ( 0.289 0.818 0.224) 0.896 43.221 ( -8.079 5.012 0.006) 9.508 43.949 ( -14.868 12.505 0.263) 19.429 45.222 ( 7.224 -5.579 0.639) 9.150 45.723 ( 9.727 -5.875 0.369) 11.370 45.940 ( 2.878 -4.115 -1.054) 5.131 46.642 ( 1.685 -2.031 0.147) 2.643 53.502 ( -7.612 -1.466 -0.216) 7.755 54.432 ( -7.964 3.107 0.193) 8.551 57.807 ( -41.287 53.896 2.247) 67.929 60.021 ( -33.101 -35.564 -4.714) 48.813 65.253 ( 11.811 -14.618 -0.257) 18.795 67.872 ( 10.409 -11.351 -10.496) 18.638 72.074 ( 0.778 8.583 -0.140) 8.620 73.008 ( 2.094 9.855 -10.181) 14.324 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.761 9.565 2.579) 12.584 1.442 ( -10.336 14.782 5.201) 18.772 2.221 ( -3.452 -0.014 -7.290) 8.066 2.416 ( -5.024 2.353 -5.634) 7.907 2.610 ( -3.877 8.150 1.682) 9.180 3.064 ( -7.075 5.263 5.106) 10.189 3.236 ( 6.591 -4.785 4.769) 9.438 3.590 ( -1.547 3.808 -5.492) 6.860 3.711 ( -3.969 0.849 0.226) 4.065 3.914 ( -2.653 -4.455 -0.029) 5.185 4.243 ( -5.386 -1.098 -3.803) 6.684 4.388 ( 2.410 5.261 0.107) 5.787 4.450 ( -0.359 -1.787 0.855) 2.013 4.532 ( 2.769 -0.202 1.505) 3.157 4.755 ( -8.261 2.892 3.008) 9.255 4.865 ( 1.507 0.786 4.602) 4.906 5.114 ( -2.793 1.151 -3.852) 4.895 5.455 ( -7.360 14.243 -2.208) 16.184 5.615 ( -6.205 3.390 -0.316) 7.078 6.007 ( 3.406 -5.677 0.155) 6.622 6.229 ( 1.506 -1.129 1.703) 2.538 6.297 ( -0.471 -3.148 4.422) 5.449 6.726 ( -11.420 6.490 -0.732) 13.156 7.032 ( -19.528 13.028 0.665) 23.485 7.257 ( -2.837 6.019 -0.891) 6.714 7.479 ( -7.138 -1.585 -0.483) 7.327 7.675 ( -1.119 1.468 3.657) 4.096 8.115 ( 2.630 -0.181 -3.176) 4.128 9.992 ( 23.983 -19.257 0.004) 30.757 10.665 ( -2.530 -0.420 0.030) 2.565 10.952 ( 28.319 -14.199 0.753) 31.688 11.823 ( -3.748 -2.745 -0.248) 4.653 12.002 ( 4.917 2.826 0.379) 5.684 13.623 ( -2.133 2.648 0.082) 3.401 14.757 ( -22.763 14.032 1.414) 26.777 14.995 ( -24.357 6.107 -14.262) 28.878 26.998 ( -0.677 0.528 0.589) 1.041 27.010 ( 0.328 0.311 -0.224) 0.505 27.043 ( 0.298 0.057 -0.207) 0.367 27.126 ( -1.574 1.136 -0.281) 1.961 27.555 ( 2.324 -2.213 0.261) 3.219 27.690 ( 1.012 -1.186 -0.424) 1.615 33.349 ( -3.019 -0.710 2.615) 4.057 33.772 ( 1.835 1.401 -8.521) 8.828 34.336 ( -1.954 -0.569 9.617) 9.830 34.880 ( 1.612 0.356 -4.792) 5.068 35.695 ( -0.727 -0.362 2.042) 2.198 35.957 ( -1.745 2.156 -1.014) 2.954 36.822 ( 0.660 -0.449 2.257) 2.394 37.112 ( 0.058 2.046 -2.237) 3.032 42.348 ( -1.258 -0.399 0.790) 1.538 42.531 ( -0.065 1.633 -0.344) 1.670 43.014 ( -9.926 6.001 0.498) 11.609 43.535 ( -15.691 14.224 0.441) 21.184 45.434 ( 9.257 -7.308 0.124) 11.795 45.762 ( -3.580 0.924 0.798) 3.783 46.226 ( 15.166 -11.970 -1.168) 19.356 46.708 ( 2.516 -2.753 0.156) 3.733 53.411 ( -13.267 -3.241 0.048) 13.657 54.232 ( -13.111 5.527 0.018) 14.228 56.361 ( -50.714 54.343 3.185) 74.399 59.841 ( -90.005 -36.393 -21.331) 99.400 65.689 ( 16.028 -17.034 -3.962) 23.722 68.210 ( 16.508 -11.810 -16.479) 26.145 71.949 ( 4.553 10.475 -0.221) 11.424 72.798 ( 3.107 18.280 -9.922) 21.029 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -7.623 12.185 11.216) 18.232 1.073 ( -13.512 14.871 10.246) 22.554 2.005 ( -18.144 19.430 0.173) 26.584 2.286 ( -5.308 4.933 -10.600) 12.840 2.334 ( -6.685 4.503 0.152) 8.062 3.031 ( 1.654 -1.755 4.228) 4.867 3.410 ( 3.649 -3.716 -1.373) 5.386 3.489 ( -2.492 2.742 -5.567) 6.688 3.647 ( -4.929 1.419 0.117) 5.130 3.878 ( -10.819 3.045 0.717) 11.262 4.144 ( -5.409 2.359 -1.051) 5.994 4.377 ( 5.893 1.155 0.952) 6.080 4.435 ( -5.240 1.001 1.962) 5.684 4.547 ( 0.145 0.955 2.890) 3.047 4.625 ( -2.070 -0.556 2.189) 3.064 4.873 ( -0.435 1.568 3.332) 3.708 4.964 ( -7.952 6.599 -5.910) 11.904 5.189 ( -5.223 9.241 -0.438) 10.624 5.453 ( -6.183 3.700 0.464) 7.221 6.194 ( 3.334 -3.059 -2.781) 5.311 6.301 ( 0.477 -0.644 5.093) 5.156 6.339 ( 7.960 -4.606 -0.170) 9.198 6.472 ( -8.093 5.547 -0.513) 9.825 6.776 ( -10.197 -3.205 4.385) 11.553 7.195 ( -0.456 1.330 -0.832) 1.634 7.400 ( -7.164 0.682 -1.482) 7.347 7.635 ( -2.093 1.870 5.440) 6.121 8.147 ( 4.908 1.541 -2.351) 5.657 10.506 ( 8.762 -12.721 -1.376) 15.508 10.679 ( 10.468 -3.271 1.120) 11.025 11.462 ( 21.910 -9.467 -0.441) 23.872 11.827 ( -2.876 -2.950 -0.457) 4.145 12.010 ( 4.409 3.094 -0.170) 5.389 13.552 ( -2.797 2.510 0.181) 3.762 14.219 ( -24.983 16.032 1.464) 29.721 14.458 ( -42.810 8.156 -29.827) 52.810 26.977 ( -0.785 0.727 0.576) 1.215 27.016 ( 0.754 -0.071 -0.501) 0.908 27.045 ( 0.306 0.136 -0.110) 0.353 27.096 ( -1.292 0.484 -0.072) 1.382 27.611 ( 1.709 -1.597 0.475) 2.387 27.724 ( 1.260 -1.365 -0.681) 1.979 33.331 ( -3.896 -1.854 2.871) 5.183 33.765 ( 2.779 1.172 -9.222) 9.703 34.320 ( -2.770 0.872 10.001) 10.415 34.894 ( 2.215 -0.121 -5.199) 5.652 35.691 ( -1.522 -0.394 2.976) 3.366 35.906 ( -0.522 1.970 -1.409) 2.477 36.836 ( 0.302 -0.229 2.059) 2.094 37.075 ( -0.012 2.117 -2.021) 2.926 42.327 ( -2.436 0.726 1.780) 3.103 42.493 ( -1.193 1.658 -0.654) 2.145 42.832 ( -6.770 3.937 1.524) 7.979 43.177 ( -9.510 11.001 0.561) 14.553 45.632 ( 7.157 -3.079 -1.942) 8.029 45.701 ( -7.256 -3.380 1.353) 8.118 46.563 ( 12.032 -9.049 -0.791) 15.076 46.780 ( 2.276 -2.372 0.109) 3.289 53.301 ( -16.661 -5.816 0.190) 17.648 53.971 ( -12.460 7.004 -0.323) 14.297 55.008 ( -44.835 41.736 3.424) 61.350 58.900 (-160.991 -38.396 -69.969) 179.689 66.116 ( 14.692 -13.954 -1.273) 20.302 68.478 ( 18.154 4.333 -37.416) 41.813 71.874 ( 7.812 8.103 3.687) 11.844 72.495 ( 4.005 22.391 -8.635) 24.330 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -14.108 11.810 14.574) 23.471 0.764 ( -6.748 9.853 25.082) 27.780 1.282 ( -30.466 29.180 16.735) 45.385 2.200 ( -0.283 1.636 -11.490) 11.609 2.221 ( -3.547 2.227 -10.383) 11.196 3.097 ( 4.205 0.166 5.278) 6.750 3.281 ( -10.203 7.960 -2.681) 13.215 3.450 ( -7.362 3.136 -3.970) 8.933 3.566 ( -4.076 -3.212 -6.153) 8.049 3.675 ( -2.235 5.255 0.598) 5.742 4.149 ( -0.069 -6.227 1.193) 6.341 4.374 ( -2.121 -0.193 -2.535) 3.311 4.479 ( 6.302 -0.513 1.208) 6.438 4.577 ( -3.687 -3.815 3.993) 6.641 4.684 ( 16.143 1.745 8.016) 18.108 4.731 ( -9.533 5.850 -2.058) 11.373 4.798 ( -0.556 6.571 1.047) 6.677 5.034 ( -5.880 1.299 1.327) 6.166 5.383 ( -1.903 0.705 1.910) 2.787 6.074 ( -0.900 10.694 -4.488) 11.633 6.306 ( -0.141 -0.615 1.173) 1.332 6.429 ( 0.638 -1.460 -1.385) 2.111 6.655 ( 11.833 -14.170 2.781) 18.669 6.824 ( -6.540 -12.965 7.190) 16.204 7.176 ( -6.648 -2.336 1.918) 7.302 7.292 ( -0.552 4.462 -3.326) 5.592 7.617 ( 1.991 -2.014 11.377) 11.724 8.169 ( 6.830 4.502 -1.536) 8.323 10.547 ( -6.650 -2.193 -0.805) 7.048 11.016 ( 22.126 2.722 -3.746) 22.606 11.704 ( 7.939 0.712 -2.361) 8.313 11.843 ( -0.875 -1.160 -1.600) 2.161 12.019 ( 2.616 1.046 -1.242) 3.079 13.414 ( -63.530 7.654 -36.128) 73.484 13.516 ( -26.385 18.474 -20.407) 38.130 13.749 ( -13.183 10.856 -0.227) 17.079 26.961 ( -0.460 0.353 0.573) 0.815 27.026 ( 0.800 -0.153 -0.745) 1.104 27.046 ( 0.264 0.091 0.025) 0.281 27.078 ( -1.306 -0.040 -0.021) 1.307 27.646 ( 0.854 -0.795 0.703) 1.362 27.756 ( 1.009 -0.952 -0.806) 1.604 33.325 ( -5.775 -3.836 2.188) 7.270 33.770 ( 3.650 1.408 -10.040) 10.775 34.272 ( -3.458 2.464 9.653) 10.546 34.918 ( 2.357 -0.349 -5.005) 5.543 35.689 ( -1.911 -1.661 3.625) 4.421 35.878 ( 0.838 1.844 -1.906) 2.781 36.842 ( -0.234 -0.094 1.832) 1.850 37.044 ( 0.182 1.351 -1.699) 2.178 42.276 ( -2.590 1.609 2.014) 3.654 42.493 ( 2.310 -3.327 2.425) 4.720 42.740 ( -2.292 0.945 3.352) 4.169 42.972 ( -1.385 7.297 -0.205) 7.430 45.623 ( -5.257 -1.005 -0.417) 5.368 45.741 ( -6.428 -3.580 -4.980) 8.884 46.778 ( 5.169 -4.507 0.181) 6.860 46.835 ( 2.400 -1.495 -0.454) 2.863 53.207 ( -17.288 -8.202 -0.229) 19.136 53.741 ( -6.149 7.214 -0.460) 9.490 54.061 ( -27.875 20.966 1.891) 34.931 56.517 (-263.734 22.260 -151.189) 304.810 66.505 ( 11.138 -17.032 8.645) 22.110 68.182 ( 11.866 51.692 -53.292) 75.186 71.875 ( 6.478 5.806 5.223) 10.146 72.224 ( 4.624 14.211 -4.908) 15.730 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 22.521 -0.000 10.701) 24.934 0.909 ( 16.025 -0.000 17.769) 23.928 1.466 ( 36.267 -0.000 17.292) 40.178 2.196 ( 7.703 -0.000 -10.467) 12.996 2.376 ( 12.662 -0.000 -6.726) 14.337 3.208 ( 5.811 -0.000 -1.887) 6.109 3.319 ( -6.687 0.000 -14.555) 16.017 3.452 ( 3.243 -0.000 1.924) 3.771 3.632 ( -2.837 0.000 5.264) 5.980 3.674 ( 22.038 -0.000 1.966) 22.125 4.033 ( 4.326 -0.000 -1.728) 4.658 4.308 ( 5.953 -0.000 1.037) 6.043 4.500 ( -0.523 0.000 1.831) 1.904 4.528 ( 1.217 -0.000 -3.226) 3.448 4.686 ( 1.697 -0.000 6.369) 6.591 4.811 ( -7.289 0.000 0.280) 7.294 4.996 ( 12.344 -0.000 4.924) 13.289 5.208 ( 6.958 -0.000 -3.083) 7.611 5.734 ( -9.484 0.000 6.423) 11.454 5.913 ( -0.904 0.000 -5.332) 5.408 6.262 ( 2.930 -0.000 -2.462) 3.827 6.302 ( -1.289 0.000 0.634) 1.437 6.479 ( 0.344 -0.000 0.022) 0.345 6.643 ( -14.487 0.000 3.797) 14.976 7.315 ( 12.909 -0.000 -1.765) 13.029 7.338 ( -2.487 0.000 2.821) 3.761 7.638 ( -1.644 0.000 5.926) 6.149 8.100 ( -1.156 0.000 -0.875) 1.450 10.762 ( 3.992 -0.000 -1.979) 4.455 11.026 ( -20.335 0.000 2.745) 20.520 11.473 ( -14.922 0.000 -0.223) 14.924 11.766 ( -10.669 0.000 -1.297) 10.747 12.362 ( 16.595 -0.000 3.244) 16.909 13.619 ( 18.590 -0.000 1.713) 18.669 13.761 ( 16.532 -0.000 -3.501) 16.899 14.336 ( 68.772 -0.000 -63.401) 93.538 26.955 ( 0.157 -0.000 0.264) 0.307 27.034 ( -0.530 0.000 -0.071) 0.535 27.050 ( -0.121 0.000 0.396) 0.414 27.052 ( 1.048 -0.000 -0.830) 1.337 27.639 ( -1.786 0.000 0.827) 1.968 27.745 ( -1.725 0.000 -1.030) 2.009 33.280 ( 4.022 -0.000 -0.470) 4.050 33.835 ( 3.724 -0.000 -9.668) 10.360 34.142 ( -3.399 0.000 10.409) 10.950 34.969 ( 0.980 -0.000 -2.743) 2.913 35.627 ( 0.759 -0.000 1.679) 1.843 35.882 ( 1.282 -0.000 -0.416) 1.348 36.830 ( -0.861 0.000 1.385) 1.630 37.044 ( 0.361 -0.000 -0.989) 1.053 42.304 ( 4.943 -0.000 1.741) 5.241 42.513 ( 2.054 -0.000 1.265) 2.412 42.765 ( 4.484 -0.000 2.209) 4.998 42.956 ( 6.768 -0.000 0.198) 6.771 45.707 ( 2.014 -0.000 1.742) 2.662 45.742 ( -0.028 0.000 -6.915) 6.915 46.710 ( -7.837 0.000 -1.287) 7.942 46.811 ( -7.424 0.000 0.849) 7.472 53.751 ( 43.071 -0.000 3.737) 43.233 53.913 ( 23.725 -0.000 0.973) 23.745 54.101 ( 39.683 -0.000 -4.129) 39.897 60.139 ( 242.748 -0.000 -250.078) 348.519 66.865 ( -10.893 0.000 6.530) 12.701 67.169 ( -17.314 0.000 -4.500) 17.890 71.669 ( -11.824 0.000 0.712) 11.845 72.221 ( 5.278 -0.000 -4.540) 6.962 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 19.894 -4.555 8.062) 21.943 1.199 ( 15.395 -8.171 15.511) 23.332 1.961 ( 25.014 -7.439 3.351) 26.311 2.229 ( 7.241 3.760 -9.626) 12.618 2.607 ( 15.981 -6.936 0.092) 17.421 3.127 ( -1.874 8.941 -10.052) 13.583 3.246 ( 5.477 5.950 0.027) 8.088 3.486 ( -1.447 -0.227 0.717) 1.631 3.636 ( -1.589 -5.394 3.122) 6.431 3.983 ( 8.738 -6.558 -0.973) 10.968 4.099 ( 7.148 0.967 -1.594) 7.387 4.418 ( 7.928 0.296 0.508) 7.950 4.486 ( 5.155 0.193 0.612) 5.194 4.559 ( 0.556 -1.212 1.132) 1.749 4.693 ( 1.499 2.247 3.438) 4.372 4.817 ( 3.290 -5.257 1.696) 6.429 5.114 ( 10.721 3.074 0.950) 11.193 5.343 ( 9.837 -0.244 -2.452) 10.141 5.646 ( -0.405 -2.925 8.902) 9.379 5.971 ( -1.886 -6.287 -6.965) 9.571 6.258 ( 0.453 4.661 -2.200) 5.174 6.281 ( -0.449 0.305 -0.921) 1.069 6.435 ( -6.034 -0.177 0.605) 6.067 6.638 ( 4.208 -9.700 1.981) 10.757 7.284 ( -0.654 1.534 2.690) 3.165 7.471 ( 6.929 -1.790 -0.775) 7.198 7.662 ( 3.926 0.463 3.323) 5.164 8.088 ( -0.494 -0.227 -2.504) 2.563 10.559 ( -20.490 15.881 -0.192) 25.925 10.806 ( -1.457 3.269 0.730) 3.653 11.314 ( -19.233 1.219 -0.376) 19.275 11.584 ( -17.656 -2.682 -0.207) 17.860 12.455 ( 24.768 17.564 2.117) 30.437 13.725 ( 18.091 9.399 1.163) 20.420 14.189 ( 25.517 -16.062 -0.947) 30.166 14.914 ( 33.002 -6.250 -32.896) 47.014 26.964 ( 0.453 -0.615 0.124) 0.773 27.025 ( -0.608 0.122 0.189) 0.648 27.048 ( -0.066 -0.007 0.223) 0.233 27.072 ( 1.310 -0.823 -0.912) 1.796 27.609 ( -2.421 0.764 0.710) 2.636 27.714 ( -2.316 0.480 -0.960) 2.552 33.323 ( 3.890 0.576 -0.204) 3.938 33.868 ( 2.735 -0.533 -9.367) 9.773 34.136 ( -2.469 -1.578 9.577) 10.015 34.969 ( 0.115 0.401 -1.905) 1.950 35.650 ( 1.984 -0.139 0.757) 2.128 35.909 ( 1.614 -1.346 -0.348) 2.130 36.818 ( -1.226 0.198 1.445) 1.906 37.058 ( 0.099 -1.554 -1.079) 1.895 42.372 ( 6.945 1.421 1.142) 7.180 42.569 ( 6.786 1.190 -0.268) 6.894 42.849 ( 7.434 -2.022 1.129) 7.786 43.134 ( 11.633 -8.839 0.312) 14.613 45.632 ( -6.645 6.111 -2.730) 9.431 45.741 ( 1.076 -1.217 1.308) 2.085 46.532 ( -12.487 6.911 -1.696) 14.372 46.721 ( -9.422 -1.737 0.830) 9.617 53.841 ( 30.298 22.235 1.139) 37.599 54.608 ( 66.336 20.412 -0.300) 69.406 54.827 ( 48.475 -38.993 5.458) 62.450 61.259 ( 121.198 64.065 -132.818) 190.876 66.648 ( -10.038 12.307 11.242) 19.458 67.139 ( -30.244 -22.983 -28.319) 47.380 71.673 ( -15.352 -18.354 0.161) 23.929 72.396 ( 5.879 -12.770 -8.063) 16.206 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 14.600 -7.913 5.913) 17.628 1.554 ( 17.239 -8.333 11.653) 22.414 2.106 ( 5.326 6.995 -8.829) 12.460 2.359 ( 11.337 -3.364 -4.094) 12.514 2.922 ( 4.644 -0.493 -7.388) 8.740 2.947 ( 5.753 -0.427 2.811) 6.418 3.244 ( 9.150 6.309 6.062) 12.660 3.459 ( -4.490 -2.426 -0.927) 5.187 3.717 ( 0.814 -3.602 0.492) 3.725 4.065 ( -0.163 -1.253 -2.349) 2.667 4.127 ( 1.867 2.323 -1.158) 3.198 4.438 ( 2.169 0.420 -3.754) 4.356 4.546 ( -1.610 1.059 1.472) 2.425 4.590 ( 6.637 1.808 3.447) 7.695 4.709 ( 1.713 -0.870 2.153) 2.886 4.951 ( 13.954 6.493 1.915) 15.509 5.260 ( 1.961 -1.211 -0.148) 2.310 5.401 ( 8.160 -8.563 0.409) 11.836 5.735 ( 0.309 1.276 3.303) 3.554 6.048 ( 7.613 -0.396 -3.069) 8.218 6.185 ( -6.973 -0.242 1.379) 7.113 6.235 ( 0.216 2.469 0.473) 2.523 6.523 ( 6.560 -10.911 -4.383) 13.465 7.002 ( 18.037 -18.801 1.037) 26.074 7.279 ( -1.815 -2.166 2.786) 3.968 7.545 ( 4.539 0.667 -0.459) 4.611 7.715 ( 6.290 1.140 2.217) 6.766 8.092 ( 1.931 0.082 -3.838) 4.297 9.993 ( -24.922 19.410 -0.182) 31.590 10.716 ( -9.581 4.672 1.429) 10.755 10.942 ( -16.113 10.920 -0.821) 19.482 11.504 ( -17.765 -11.751 0.629) 21.309 12.450 ( 27.032 21.732 0.852) 34.695 13.803 ( 18.760 9.162 0.908) 20.898 14.743 ( 23.079 -14.811 -0.062) 27.422 15.260 ( 17.170 -4.396 -15.126) 23.301 26.982 ( 0.620 -0.675 -0.036) 0.917 27.018 ( -0.351 0.104 0.366) 0.517 27.049 ( -0.144 -0.139 0.209) 0.289 27.107 ( 1.603 -1.491 -0.850) 2.348 27.558 ( -2.846 1.647 0.451) 3.319 27.678 ( -2.380 0.230 -0.643) 2.476 33.356 ( 3.386 0.742 0.440) 3.494 33.880 ( 1.327 0.370 -8.077) 8.194 34.160 ( -1.103 -2.313 7.999) 8.400 34.955 ( -0.549 0.701 -1.457) 1.707 35.674 ( 1.917 0.280 0.506) 2.002 35.959 ( 1.923 -2.043 -0.385) 2.832 36.800 ( -1.411 0.239 1.589) 2.138 37.088 ( -0.184 -2.298 -1.378) 2.686 42.415 ( 7.003 3.819 0.314) 7.983 42.611 ( 6.740 3.638 0.079) 7.660 43.025 ( 10.555 -5.666 0.034) 11.980 43.494 ( 15.969 -14.399 0.383) 21.505 45.416 ( -9.324 7.617 -1.089) 12.089 45.770 ( -1.859 -1.985 1.841) 3.284 46.214 ( -15.072 10.506 -1.918) 18.472 46.639 ( -9.661 -2.221 0.371) 9.920 53.858 ( 28.208 20.306 0.490) 34.760 54.988 ( 69.271 34.550 0.480) 77.411 56.180 ( 56.093 -48.085 6.937) 74.207 61.233 ( 59.128 52.813 -48.771) 93.080 66.140 ( -20.659 27.068 0.365) 34.053 67.133 ( -22.482 -21.777 -23.389) 39.073 71.818 ( -14.691 -21.381 1.569) 25.989 72.670 ( 3.709 -14.924 -10.578) 18.665 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 12.908 -5.173 2.759) 14.177 1.857 ( 14.917 0.903 5.787) 16.026 2.060 ( 3.028 -2.571 -5.184) 6.531 2.438 ( 7.218 7.475 -4.061) 11.156 2.769 ( -1.417 6.591 -2.125) 7.068 3.140 ( 4.221 1.617 0.830) 4.595 3.312 ( 4.347 -5.902 6.696) 9.928 3.487 ( -0.453 -4.895 -1.233) 5.068 3.755 ( 1.557 0.418 -2.301) 2.809 4.071 ( -0.311 3.540 2.028) 4.091 4.085 ( -3.791 -3.637 -4.859) 7.156 4.433 ( -0.285 1.837 -1.239) 2.233 4.525 ( 1.131 0.213 -3.549) 3.731 4.625 ( 4.241 2.670 3.860) 6.326 4.745 ( 0.509 -1.264 2.992) 3.288 4.996 ( 15.381 8.607 0.949) 17.651 5.181 ( -3.970 4.052 1.232) 5.805 5.615 ( 3.230 4.147 -3.543) 6.339 5.744 ( 2.560 -9.268 3.000) 10.072 6.104 ( -3.439 2.391 -0.925) 4.289 6.118 ( 1.911 -1.134 2.968) 3.707 6.222 ( 1.262 1.089 1.308) 2.119 6.817 ( 7.422 -11.749 -3.837) 14.417 7.311 ( -3.290 -5.516 2.604) 6.930 7.537 ( 7.408 -3.450 -0.743) 8.206 7.631 ( 16.493 -15.068 0.996) 22.362 7.789 ( 9.623 0.273 1.937) 9.820 8.126 ( 5.610 0.386 -4.757) 7.365 9.377 ( -25.400 18.789 0.088) 31.594 10.343 ( -19.177 11.204 1.034) 22.234 10.783 ( -2.104 1.407 -0.034) 2.531 11.490 ( -17.362 -12.545 0.672) 21.430 12.433 ( 27.302 21.289 0.153) 34.621 13.875 ( 18.375 10.331 0.705) 21.092 15.158 ( 13.622 -8.646 0.562) 16.144 15.417 ( 5.805 -0.341 -8.064) 9.942 26.996 ( 0.422 -0.212 -0.097) 0.482 27.018 ( 0.121 -0.272 0.336) 0.449 27.048 ( -0.179 -0.015 0.231) 0.292 27.152 ( 1.447 -1.731 -0.697) 2.362 27.497 ( -2.528 1.720 0.268) 3.070 27.651 ( -2.061 -0.335 -0.363) 2.120 33.379 ( 2.362 0.919 0.953) 2.707 33.867 ( 0.513 1.088 -7.078) 7.179 34.203 ( -0.176 -2.502 6.974) 7.411 34.932 ( -0.779 0.811 -1.576) 1.936 35.688 ( 1.555 0.574 0.625) 1.771 36.008 ( 1.234 -1.592 -0.505) 2.077 36.786 ( -1.009 -0.055 1.820) 2.081 37.118 ( -0.417 -2.167 -1.701) 2.786 42.425 ( 6.540 4.953 -0.104) 8.205 42.627 ( 6.955 4.464 0.400) 8.274 43.235 ( 8.611 -4.644 -0.244) 9.787 43.917 ( 14.245 -13.614 0.335) 19.708 45.202 ( -7.333 5.261 -0.142) 9.026 45.694 ( -11.831 4.142 1.343) 12.607 45.942 ( -5.563 3.364 -1.604) 6.695 46.568 ( -8.848 -2.987 0.090) 9.339 53.865 ( 25.867 20.134 0.114) 32.779 55.174 ( 60.958 40.405 0.419) 73.135 57.587 ( 46.675 -46.101 5.488) 65.833 60.833 ( 10.937 47.063 -13.781) 50.244 65.460 ( -18.938 23.546 -1.901) 30.277 67.203 ( -16.814 -20.362 -16.027) 30.890 71.978 ( -10.862 -17.123 2.654) 20.450 72.903 ( 2.789 -11.465 -11.430) 16.428 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 13.866 15.819 -3.584) 21.339 1.976 ( 1.934 -8.428 0.812) 8.685 2.254 ( 6.422 2.890 -1.200) 7.144 2.328 ( 5.317 3.050 -0.902) 6.196 2.686 ( 0.914 4.107 3.032) 5.186 3.110 ( 5.174 6.150 3.399) 8.726 3.461 ( -2.539 -7.882 0.743) 8.314 3.552 ( -1.381 -3.698 1.006) 4.074 3.741 ( 0.517 1.809 -4.742) 5.101 3.965 ( -3.830 5.298 -0.772) 6.583 4.129 ( -1.887 -5.219 -1.465) 5.740 4.403 ( 0.538 1.144 -0.449) 1.341 4.525 ( -0.457 0.068 -4.868) 4.890 4.614 ( 2.218 4.139 3.796) 6.038 4.773 ( -0.777 -1.806 2.597) 3.257 5.043 ( 10.469 9.584 1.445) 14.267 5.109 ( 4.677 1.220 0.625) 4.874 5.561 ( 3.942 4.596 -3.039) 6.775 5.897 ( -1.031 -6.763 3.120) 7.519 6.016 ( -1.611 5.018 -1.287) 5.425 6.147 ( -2.139 -2.114 2.524) 3.926 6.227 ( 1.733 0.985 2.364) 3.092 6.971 ( -1.831 -3.733 -2.020) 4.622 7.362 ( -3.838 -5.247 0.313) 6.508 7.526 ( -3.636 2.133 0.719) 4.277 7.778 ( 1.584 3.901 2.894) 5.109 8.051 ( 1.063 -1.912 -3.357) 4.007 8.191 ( 2.536 3.372 -1.929) 4.639 8.966 ( -1.514 -0.739 0.639) 1.802 10.131 ( 2.579 -0.971 0.344) 2.778 10.760 ( -1.447 -0.874 0.290) 1.715 11.485 ( -15.712 -11.798 0.532) 19.655 12.434 ( 27.260 19.988 -0.112) 33.803 13.910 ( 16.769 12.085 0.565) 20.678 15.292 ( -5.529 0.498 0.482) 5.572 15.411 ( 1.435 3.190 -5.431) 6.459 27.000 ( 0.283 0.097 0.083) 0.311 27.027 ( 0.206 -0.458 0.092) 0.510 27.045 ( -0.067 0.327 0.216) 0.397 27.181 ( -0.039 -0.584 -0.576) 0.821 27.460 ( -0.661 0.100 0.227) 0.706 27.639 ( -1.571 -0.977 -0.248) 1.866 33.384 ( 0.850 1.243 1.450) 2.091 33.841 ( 0.519 1.391 -7.072) 7.226 34.252 ( -0.044 -2.350 7.148) 7.524 34.908 ( -0.521 0.700 -2.216) 2.381 35.696 ( 1.289 0.656 0.917) 1.713 36.028 ( -0.417 -0.290 -0.649) 0.824 36.786 ( -0.084 -0.496 2.043) 2.104 37.138 ( -0.565 -1.426 -1.966) 2.493 42.420 ( 6.001 5.013 -0.148) 7.821 42.640 ( 7.585 4.973 0.456) 9.081 43.324 ( 0.129 0.994 -0.231) 1.028 44.150 ( -0.952 -1.714 0.302) 1.984 45.116 ( 0.028 -0.641 0.494) 0.810 45.540 ( -1.008 -1.630 -0.168) 1.924 45.894 ( -3.700 -1.120 -0.345) 3.881 46.533 ( -6.716 -4.707 -0.103) 8.202 53.835 ( 24.224 21.477 -0.006) 32.374 55.175 ( 48.622 42.078 0.001) 64.301 58.593 ( 16.298 -24.614 3.585) 29.738 59.939 ( -29.772 46.509 -3.550) 55.336 65.064 ( -5.660 5.408 2.058) 8.094 67.332 ( -13.128 -21.810 -12.974) 28.572 72.094 ( -5.849 -9.335 2.627) 11.325 73.060 ( 3.122 -5.817 -10.873) 12.720 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.810 16.535 -2.169) 18.860 1.989 ( 0.097 14.529 -2.264) 14.705 2.155 ( 4.543 0.213 1.294) 4.728 2.429 ( -5.084 -3.501 -7.800) 9.947 2.722 ( 12.435 1.554 8.434) 15.106 3.122 ( 8.952 3.450 4.327) 10.524 3.402 ( -10.991 4.603 1.928) 12.071 3.610 ( -0.777 -3.227 -2.453) 4.127 3.718 ( -0.358 -0.784 -3.966) 4.058 3.834 ( -4.108 3.805 -0.679) 5.641 4.182 ( -2.337 -4.097 -1.160) 4.857 4.406 ( 0.704 -0.054 0.401) 0.812 4.503 ( 0.220 1.209 -3.044) 3.282 4.583 ( 3.378 3.820 1.894) 5.440 4.772 ( -4.990 -1.286 2.057) 5.549 4.980 ( 1.586 5.351 2.650) 6.178 5.199 ( 13.260 4.947 -0.591) 14.165 5.568 ( 4.472 0.890 -3.147) 5.540 5.884 ( -2.139 8.621 -1.344) 8.983 5.941 ( -5.519 -2.540 2.902) 6.733 6.156 ( -2.881 -3.071 3.196) 5.287 6.241 ( 2.900 1.052 3.013) 4.312 6.887 ( -12.886 3.235 -1.730) 13.398 7.344 ( -13.256 0.595 3.292) 13.672 7.383 ( -2.792 4.923 -4.743) 7.384 7.645 ( -14.256 8.443 3.077) 16.852 7.812 ( -8.964 11.107 1.283) 14.330 8.094 ( 0.814 0.891 -3.913) 4.095 9.372 ( 24.119 -19.378 0.134) 30.940 10.414 ( 18.910 -13.028 0.060) 22.964 10.782 ( 2.110 -2.421 0.425) 3.239 11.496 ( -11.573 -10.493 0.327) 15.625 12.447 ( 26.671 19.247 -0.164) 32.891 13.892 ( 14.193 13.679 0.387) 19.716 15.049 ( -21.655 7.173 -1.601) 22.869 15.293 ( -6.608 9.034 -3.647) 11.772 27.002 ( 0.320 0.095 0.179) 0.378 27.028 ( -0.546 0.267 0.237) 0.652 27.043 ( 0.604 0.163 -0.093) 0.632 27.164 ( -1.715 0.948 -0.466) 2.014 27.483 ( 1.457 -1.983 0.236) 2.472 27.644 ( -1.009 -1.643 -0.273) 1.947 33.365 ( -0.704 1.492 1.955) 2.558 33.817 ( 1.074 1.368 -7.712) 7.906 34.294 ( -0.649 -1.825 8.090) 8.318 34.893 ( 0.172 0.381 -3.168) 3.195 35.701 ( 1.020 0.702 1.352) 1.833 36.007 ( -1.825 0.954 -0.799) 2.209 36.804 ( 0.661 -0.693 2.136) 2.341 37.142 ( -0.674 -0.334 -2.115) 2.245 42.412 ( 5.322 4.659 0.071) 7.074 42.649 ( 7.678 5.711 0.215) 9.572 43.212 ( -7.850 5.969 0.062) 9.862 43.948 ( -15.940 10.600 0.137) 19.143 45.219 ( 7.149 -5.715 0.806) 9.188 45.725 ( 7.823 -7.443 0.065) 10.798 45.884 ( 0.516 -5.293 -0.582) 5.350 46.557 ( -4.440 -6.534 -0.231) 7.903 53.771 ( 25.485 23.945 0.057) 34.969 55.017 ( 37.188 42.245 -0.352) 56.282 58.233 ( -36.512 57.815 2.280) 68.417 59.128 ( -51.745 -10.707 -3.001) 52.927 65.167 ( 9.765 -12.686 2.944) 16.277 67.556 ( -8.393 -25.783 -13.140) 30.131 72.139 ( -0.978 -1.168 2.539) 2.961 73.119 ( 3.592 1.685 -9.457) 10.255 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 3.830 17.619 3.071) 18.291 1.705 ( 3.837 22.187 0.497) 22.522 2.206 ( 1.891 -0.064 -2.983) 3.533 2.361 ( -5.380 0.289 -7.411) 9.163 2.781 ( 1.397 11.486 4.337) 12.356 3.177 ( -2.067 6.433 2.755) 7.297 3.222 ( 9.125 -0.360 3.580) 9.808 3.591 ( -1.832 0.876 -6.140) 6.467 3.705 ( -1.349 3.121 0.637) 3.459 3.804 ( -2.214 -4.707 0.373) 5.215 4.185 ( -3.148 -1.010 -1.967) 3.847 4.400 ( -2.266 1.243 3.766) 4.568 4.492 ( 2.811 1.740 -3.190) 4.594 4.589 ( 1.582 0.118 0.188) 1.597 4.673 ( -9.644 3.104 2.294) 10.388 4.920 ( -2.494 2.863 2.845) 4.745 5.217 ( 9.292 9.859 -1.847) 13.673 5.547 ( -3.027 4.990 -1.602) 6.052 5.665 ( -5.493 12.302 0.341) 13.477 5.959 ( 2.977 -5.428 1.460) 6.361 6.188 ( -3.679 -4.925 3.090) 6.880 6.281 ( 5.054 0.171 2.445) 5.617 6.625 ( -15.415 3.572 -3.072) 16.119 7.009 ( -21.512 15.013 -0.716) 26.243 7.217 ( -10.620 0.024 4.394) 11.493 7.441 ( -0.127 2.750 -3.705) 4.616 7.701 ( -1.150 2.761 3.968) 4.969 8.119 ( 1.865 -1.792 -3.544) 4.388 9.974 ( 23.410 -18.822 -0.208) 30.039 10.725 ( 7.290 -2.941 1.690) 8.040 11.021 ( 12.795 -16.123 -0.814) 20.599 11.560 ( -0.376 -7.936 -0.029) 7.945 12.458 ( 26.165 19.382 -0.149) 32.562 13.813 ( 8.426 14.030 -0.433) 16.372 14.574 ( -32.051 10.838 -2.627) 33.936 14.946 ( -15.923 16.317 -5.181) 23.380 27.001 ( -0.354 0.539 0.512) 0.824 27.018 ( 0.256 0.303 -0.164) 0.429 27.048 ( 0.435 0.104 -0.113) 0.462 27.123 ( -1.803 1.107 -0.350) 2.145 27.542 ( 1.806 -2.539 0.349) 3.136 27.665 ( -0.408 -2.202 -0.434) 2.281 33.329 ( -1.795 1.378 2.391) 3.292 33.802 ( 1.899 1.136 -8.561) 8.842 34.315 ( -1.776 -0.917 9.082) 9.299 34.892 ( 1.090 -0.055 -4.039) 4.184 35.701 ( 0.402 0.855 1.994) 2.206 35.961 ( -1.877 1.468 -1.053) 2.606 36.826 ( 0.727 -0.506 2.067) 2.249 37.126 ( -0.727 0.791 -2.099) 2.358 42.397 ( 3.936 4.414 0.666) 5.951 42.634 ( 5.800 6.698 -0.698) 8.888 43.003 ( -8.404 6.581 1.006) 10.721 43.551 ( -16.645 12.271 0.034) 20.679 45.424 ( 8.169 -6.855 0.809) 10.694 45.735 ( -4.357 0.925 -0.032) 4.455 46.196 ( 14.008 -13.624 -0.543) 19.548 46.623 ( -3.300 -7.323 -0.320) 8.039 53.705 ( 32.234 27.264 0.147) 42.218 54.748 ( 29.141 41.158 -0.383) 50.432 56.680 ( -51.568 62.111 1.739) 80.747 58.388 ( -94.116 -3.291 -9.691) 94.671 65.594 ( 15.026 -18.305 1.508) 23.730 67.906 ( -3.146 -29.543 -19.286) 35.421 72.125 ( 3.191 4.758 4.089) 7.038 73.055 ( 3.562 10.312 -7.955) 13.502 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.423 17.683 11.648) 21.179 1.393 ( 7.854 26.099 2.433) 27.364 2.152 ( -2.302 10.820 -5.557) 12.379 2.299 ( -0.307 2.069 -6.817) 7.131 2.388 ( -12.598 18.961 5.314) 23.376 3.215 ( 14.912 3.473 2.294) 15.482 3.321 ( 1.747 -3.046 -6.376) 7.279 3.522 ( -4.544 5.002 -3.830) 7.768 3.626 ( -2.699 4.304 2.933) 5.867 3.824 ( -3.041 -0.080 0.221) 3.050 4.118 ( -7.348 3.377 0.635) 8.112 4.300 ( -8.642 -0.942 6.368) 10.776 4.485 ( -2.742 1.436 -2.539) 4.003 4.510 ( 1.198 -0.005 -1.395) 1.839 4.665 ( 5.494 -0.602 1.854) 5.830 4.823 ( -7.771 1.853 0.942) 8.044 5.133 ( 7.393 12.924 -0.306) 14.892 5.352 ( -3.907 14.707 -0.838) 15.240 5.459 ( -2.007 3.567 2.572) 4.834 6.142 ( 2.591 -8.698 0.342) 9.082 6.226 ( -4.117 -4.972 3.241) 7.223 6.378 ( 8.284 -2.291 0.397) 8.604 6.441 ( -7.612 3.041 -2.643) 8.612 6.610 ( -13.493 4.038 -0.010) 14.084 7.127 ( -8.529 -1.116 4.449) 9.684 7.406 ( 2.031 2.957 -4.663) 5.883 7.654 ( -1.621 2.195 5.339) 5.996 8.165 ( 1.006 -2.065 -3.333) 4.048 10.459 ( 12.519 -11.607 1.130) 17.110 10.891 ( 16.567 -4.843 0.846) 17.281 11.316 ( -8.621 -15.528 -0.165) 17.761 11.787 ( 17.767 -5.860 -2.358) 18.856 12.462 ( 27.251 20.493 0.063) 34.097 13.574 ( -21.951 10.789 -8.271) 25.819 14.016 ( -18.116 15.473 -0.069) 23.824 14.422 ( -15.496 22.065 -7.831) 28.077 26.982 ( -0.551 0.881 0.522) 1.163 27.024 ( 0.793 -0.026 -0.386) 0.883 27.049 ( 0.110 0.122 0.009) 0.164 27.090 ( -1.164 0.736 -0.223) 1.395 27.598 ( 0.975 -2.144 0.578) 2.425 27.700 ( 0.150 -2.415 -0.679) 2.513 33.290 ( -2.299 0.915 2.709) 3.669 33.801 ( 2.856 0.782 -9.409) 9.864 34.307 ( -2.998 0.106 9.476) 9.939 34.907 ( 1.820 -0.392 -4.426) 4.802 35.687 ( -0.769 1.044 2.750) 3.040 35.922 ( -0.553 1.216 -1.436) 1.962 36.840 ( 0.249 -0.140 1.877) 1.899 37.096 ( -0.512 1.544 -1.893) 2.495 42.360 ( 0.843 4.366 1.673) 4.751 42.572 ( 2.441 6.547 -1.960) 7.257 42.840 ( -3.604 5.077 2.933) 6.882 43.216 ( -9.722 8.996 -0.518) 13.256 45.574 ( -0.497 -3.260 1.402) 3.583 45.691 ( 1.545 -0.091 -1.437) 2.112 46.538 ( 9.753 -10.528 -0.164) 14.352 46.699 ( -2.903 -7.028 -0.522) 7.622 53.699 ( 43.731 31.063 0.602) 53.644 54.435 ( 24.360 38.089 0.194) 45.214 55.191 ( -46.946 48.538 1.249) 67.538 56.998 (-114.180 13.114 -27.018) 118.064 66.038 ( 11.542 -16.429 3.045) 20.308 68.290 ( -2.700 -25.395 -35.477) 43.713 72.095 ( 6.347 6.904 7.694) 12.130 72.857 ( 3.212 18.040 -6.774) 19.535 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 1.508 17.205 17.823) 24.818 1.075 ( 5.684 26.472 8.013) 28.236 1.619 ( -5.618 36.783 11.998) 39.096 2.175 ( -4.052 1.972 -9.713) 10.708 2.290 ( 6.225 3.961 -7.563) 10.566 3.212 ( -13.353 7.813 -0.937) 15.499 3.364 ( 0.859 -1.092 -11.585) 11.668 3.403 ( 11.196 -0.588 -1.322) 11.289 3.523 ( 4.393 8.238 5.453) 10.812 3.755 ( -0.320 6.036 -0.360) 6.055 4.014 ( -7.188 -2.763 2.062) 7.972 4.298 ( -1.658 -2.313 -1.091) 3.047 4.507 ( 0.664 -1.852 2.974) 3.566 4.526 ( 0.138 -0.979 0.708) 1.216 4.676 ( -6.449 1.252 -2.040) 6.879 4.794 ( 5.902 -3.526 6.058) 9.163 4.980 ( 5.047 10.984 1.942) 12.244 5.139 ( 0.445 9.954 -2.421) 10.254 5.454 ( 7.548 2.035 5.772) 9.717 6.196 ( 0.622 4.038 -6.913) 8.030 6.263 ( -10.090 -9.719 6.861) 15.599 6.322 ( -2.829 0.955 0.536) 3.033 6.449 ( -0.962 -1.755 1.093) 2.280 6.690 ( 6.729 -11.756 -0.885) 13.575 7.048 ( -6.892 -0.065 3.798) 7.869 7.388 ( 4.694 3.121 -3.786) 6.791 7.617 ( -1.074 0.805 8.061) 8.172 8.186 ( -1.661 -1.226 -3.444) 4.015 10.617 ( 1.962 0.147 4.349) 4.773 11.262 ( -3.846 -15.973 -4.450) 17.021 11.399 ( 6.681 -9.468 2.451) 11.844 11.977 ( -0.545 -0.595 -5.988) 6.042 12.375 ( -3.652 18.979 0.728) 19.340 13.030 ( 6.067 19.777 -26.697) 33.774 13.673 ( -6.176 13.964 3.501) 15.665 13.998 ( 10.671 22.713 -7.649) 26.235 26.966 ( -0.109 0.642 0.500) 0.821 27.033 ( 0.762 0.045 -0.612) 0.978 27.047 ( -0.377 -0.033 0.203) 0.430 27.070 ( -0.489 0.562 -0.131) 0.757 27.634 ( -0.016 -1.537 0.747) 1.709 27.737 ( 0.072 -1.953 -0.810) 2.116 33.256 ( -2.021 0.603 2.827) 3.526 33.815 ( 3.514 0.618 -10.277) 10.879 34.268 ( -4.276 1.213 9.101) 10.129 34.931 ( 2.035 -0.476 -4.244) 4.730 35.661 ( -1.790 0.738 3.201) 3.741 35.903 ( 0.388 1.059 -1.766) 2.095 36.842 ( -0.335 0.110 1.642) 1.679 37.066 ( 0.270 1.596 -1.567) 2.253 42.295 ( -0.969 3.195 1.998) 3.891 42.514 ( 2.043 2.891 0.046) 3.540 42.759 ( -0.502 2.857 4.000) 4.941 43.034 ( -2.170 5.914 -1.801) 6.552 45.550 ( -1.749 1.040 1.089) 2.308 45.732 ( 1.103 -0.299 -2.579) 2.821 46.726 ( -1.478 -6.163 0.330) 6.346 46.789 ( 1.611 -5.874 -0.757) 6.138 53.621 ( 2.076 29.969 3.467) 30.241 54.112 ( -20.335 29.187 -0.475) 35.575 54.155 ( 18.508 29.804 0.109) 35.083 55.600 ( 9.799 43.869 -52.303) 68.965 66.400 ( 7.086 -14.472 8.119) 18.044 68.408 ( -10.530 -4.006 -57.057) 58.159 72.075 ( 5.363 7.569 8.020) 12.263 72.564 ( 3.245 21.338 -5.855) 22.363 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 13.759 -0.000 14.161) 19.745 1.371 ( 20.227 -0.000 4.993) 20.834 2.199 ( 20.727 -0.000 -1.391) 20.773 2.316 ( 3.480 -0.000 -9.067) 9.712 2.735 ( 13.979 -0.000 3.489) 14.408 3.127 ( -4.899 0.000 -5.899) 7.668 3.480 ( 9.718 -0.000 3.023) 10.177 3.507 ( -0.195 0.000 0.196) 0.277 3.517 ( 1.912 -0.000 -1.456) 2.403 4.058 ( 10.332 -0.000 0.492) 10.343 4.173 ( 3.290 -0.000 0.367) 3.310 4.476 ( 1.213 -0.000 -4.264) 4.433 4.490 ( 0.178 -0.000 1.829) 1.837 4.610 ( 4.705 -0.000 2.263) 5.221 4.717 ( 2.010 -0.000 0.190) 2.019 4.878 ( 14.622 -0.000 4.282) 15.236 5.405 ( 0.197 -0.000 -3.145) 3.151 5.411 ( 20.742 -0.000 3.202) 20.988 5.638 ( 9.726 -0.000 3.798) 10.441 5.868 ( -0.775 0.000 -5.489) 5.544 6.291 ( 1.165 -0.000 0.893) 1.468 6.306 ( -10.070 0.000 2.180) 10.303 6.397 ( 8.522 -0.000 -7.783) 11.541 6.585 ( 5.648 -0.000 2.730) 6.273 7.243 ( -5.401 0.000 4.923) 7.308 7.562 ( 7.049 -0.000 -0.907) 7.107 7.732 ( 5.978 -0.000 2.958) 6.670 8.094 ( 2.913 -0.000 -4.152) 5.072 10.514 ( -22.945 0.000 -1.329) 22.983 10.611 ( -16.757 0.000 2.082) 16.886 11.107 ( -15.687 0.000 0.683) 15.702 11.333 ( -23.307 0.000 -1.117) 23.334 12.977 ( 31.993 -0.000 2.955) 32.130 14.184 ( 25.597 -0.000 3.563) 25.843 14.247 ( 23.556 -0.000 0.276) 23.557 15.146 ( 22.684 -0.000 -28.673) 36.561 26.968 ( 0.932 -0.000 0.036) 0.932 27.021 ( -0.382 0.000 0.090) 0.392 27.046 ( -0.270 0.000 0.539) 0.603 27.081 ( 1.450 -0.000 -1.056) 1.794 27.584 ( -2.839 0.000 0.834) 2.959 27.682 ( -3.168 0.000 -1.095) 3.352 33.375 ( 3.964 -0.000 -0.541) 4.000 33.880 ( 2.052 -0.000 -8.442) 8.687 34.117 ( -0.920 0.000 8.877) 8.925 34.966 ( -0.745 0.000 -1.292) 1.491 35.682 ( 3.087 -0.000 0.139) 3.090 35.918 ( 1.838 -0.000 -0.195) 1.848 36.807 ( -1.271 0.000 1.372) 1.870 37.041 ( -0.516 0.000 -0.815) 0.964 42.501 ( 11.046 -0.000 1.123) 11.103 42.709 ( 13.072 -0.000 -1.972) 13.220 42.933 ( 8.443 -0.000 1.894) 8.653 43.192 ( 12.627 -0.000 0.115) 12.628 45.608 ( -8.008 0.000 -4.324) 9.101 45.685 ( -5.405 0.000 4.046) 6.752 46.449 ( -12.999 0.000 -3.412) 13.439 46.540 ( -15.317 0.000 2.277) 15.485 54.746 ( 43.988 -0.000 -2.905) 44.084 54.755 ( 45.647 -0.000 3.016) 45.747 55.868 ( 92.940 -0.000 18.604) 94.784 62.653 ( 54.020 -0.000 -137.398) 147.636 66.445 ( -25.868 0.000 6.986) 26.794 66.675 ( -21.106 0.000 -3.393) 21.377 71.295 ( -18.724 0.000 0.306) 18.726 72.359 ( 6.805 -0.000 -8.782) 11.110 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 12.389 -3.348 9.278) 15.836 1.657 ( 16.536 -6.512 5.411) 18.578 2.281 ( 4.038 5.779 -8.278) 10.873 2.437 ( 12.469 -3.257 -4.669) 13.707 2.927 ( 8.064 -5.979 3.526) 10.639 3.027 ( -3.805 5.051 -0.079) 6.324 3.378 ( -6.052 2.086 2.324) 6.810 3.567 ( 9.993 3.975 1.342) 10.838 3.649 ( 6.956 -1.708 -3.084) 7.799 4.110 ( 4.956 5.468 -0.835) 7.427 4.170 ( -1.402 1.888 0.956) 2.538 4.444 ( -0.449 0.729 -4.347) 4.430 4.531 ( -0.635 -1.484 1.397) 2.135 4.655 ( 1.913 -0.581 3.036) 3.635 4.770 ( 7.949 2.833 1.832) 8.636 5.175 ( 14.777 -10.870 0.758) 18.360 5.303 ( -2.359 5.360 0.354) 5.867 5.522 ( 17.434 10.667 0.977) 20.461 5.756 ( 1.762 0.080 0.038) 1.765 6.054 ( 7.904 -9.932 -3.503) 13.168 6.163 ( -3.693 5.122 1.466) 6.483 6.325 ( 5.987 2.992 1.381) 6.834 6.443 ( 5.697 -2.815 -5.865) 8.647 6.919 ( 19.570 -19.848 0.547) 27.879 7.202 ( -4.545 -1.789 4.439) 6.600 7.605 ( 1.407 0.976 0.986) 1.976 7.811 ( 6.717 0.247 3.225) 7.455 8.148 ( 7.920 0.579 -6.022) 9.966 9.996 ( -25.911 18.878 -0.661) 32.066 10.529 ( -19.805 -8.647 2.103) 21.713 10.815 ( -21.817 7.791 -0.711) 23.177 11.146 ( -17.784 -9.017 0.084) 19.939 13.193 ( 33.014 20.315 1.515) 38.794 14.279 ( 25.478 14.111 2.713) 29.251 14.763 ( 21.075 -15.429 1.744) 26.178 15.360 ( 14.017 -2.661 -17.778) 22.795 26.984 ( 1.196 -0.314 -0.068) 1.238 27.017 ( -0.039 0.064 0.222) 0.235 27.045 ( -0.228 -0.108 0.374) 0.451 27.104 ( 1.480 -0.935 -0.864) 1.953 27.543 ( -3.138 0.851 0.704) 3.327 27.641 ( -3.429 -0.186 -0.908) 3.552 33.414 ( 3.670 0.877 -0.148) 3.776 33.884 ( 0.634 0.113 -6.898) 6.928 34.138 ( 0.461 -1.265 7.199) 7.324 34.949 ( -1.376 0.267 -1.020) 1.734 35.714 ( 2.998 0.766 0.070) 3.095 35.953 ( 1.939 -1.386 -0.285) 2.400 36.791 ( -1.235 0.306 1.387) 1.882 37.045 ( -0.928 -1.748 -0.924) 2.184 42.606 ( 12.192 4.927 0.417) 13.157 42.823 ( 14.018 6.567 -0.927) 15.508 43.072 ( 10.362 -4.001 0.507) 11.119 43.467 ( 15.438 -12.002 0.415) 19.559 45.417 ( -9.936 7.202 -1.604) 12.376 45.659 ( -8.366 -4.496 2.444) 9.806 46.175 ( -16.120 8.502 -2.011) 18.336 46.423 ( -15.247 -5.945 0.444) 16.371 54.743 ( 46.074 34.385 0.308) 57.492 55.940 ( 54.288 -33.380 -4.187) 63.866 56.801 ( 91.754 24.061 25.946) 98.341 62.437 ( 18.171 47.067 -72.915) 88.668 66.237 ( -26.943 14.561 -12.513) 33.084 66.393 ( -24.563 -23.003 2.404) 33.738 71.248 ( -19.058 -21.242 0.518) 28.543 72.503 ( 5.047 -9.863 -10.828) 15.492 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 9.024 -5.632 5.561) 12.003 1.968 ( 12.384 -9.095 4.502) 16.011 2.208 ( 5.167 8.349 -7.051) 12.088 2.587 ( 8.558 0.095 -3.014) 9.074 2.871 ( -3.421 8.141 2.294) 9.123 3.117 ( 2.045 -8.377 1.352) 8.728 3.307 ( -3.715 -0.571 1.632) 4.098 3.606 ( 12.077 8.000 1.279) 14.542 3.743 ( 2.460 -3.400 -2.858) 5.078 4.050 ( 1.808 5.612 -2.593) 6.441 4.104 ( -2.711 2.810 1.538) 4.196 4.430 ( -1.110 -0.503 -3.244) 3.466 4.528 ( -0.691 0.299 -1.172) 1.393 4.684 ( 0.668 -0.419 3.138) 3.235 4.795 ( 5.877 4.865 2.778) 8.119 5.165 ( -5.724 2.508 1.832) 6.512 5.438 ( 20.576 10.827 -1.410) 23.294 5.626 ( 6.196 -7.329 1.667) 9.740 5.755 ( 3.537 3.252 -1.328) 4.985 6.070 ( -0.669 2.172 0.072) 2.274 6.157 ( 0.540 0.883 -0.503) 1.151 6.317 ( 7.808 6.807 0.343) 10.364 6.684 ( 5.390 -13.431 -3.744) 14.949 7.203 ( -2.248 -3.684 3.056) 5.288 7.539 ( 14.761 -12.734 -0.321) 19.497 7.595 ( 6.006 -6.949 2.334) 9.477 7.899 ( 8.071 -0.538 3.634) 8.867 8.232 ( 10.127 2.049 -6.642) 12.282 9.364 ( -26.924 19.038 -0.247) 32.976 10.303 ( -15.046 8.392 1.501) 17.293 10.563 ( -20.661 -9.694 -0.509) 22.828 11.125 ( -13.952 -11.248 0.420) 17.926 13.209 ( 33.430 26.228 0.218) 42.491 14.359 ( 24.643 14.819 2.335) 28.850 15.158 ( 10.111 -8.837 1.204) 13.483 15.480 ( 6.633 0.655 -9.954) 11.980 27.000 ( 0.836 -0.088 -0.204) 0.865 27.019 ( 0.376 0.019 0.509) 0.633 27.046 ( 0.067 -0.191 0.104) 0.228 27.140 ( 1.223 -1.508 -0.666) 2.053 27.489 ( -2.879 1.246 0.439) 3.167 27.608 ( -3.139 -0.857 -0.545) 3.300 33.434 ( 2.849 1.628 0.390) 3.304 33.872 ( -0.121 0.497 -5.914) 5.937 34.184 ( 1.057 -1.787 6.150) 6.491 34.924 ( -1.564 0.305 -1.214) 2.003 35.730 ( 2.518 1.331 0.342) 2.869 35.997 ( 1.153 -1.471 -0.473) 1.928 36.778 ( -0.728 0.032 1.515) 1.682 37.067 ( -1.153 -2.611 -1.210) 3.100 42.642 ( 11.609 8.174 -0.167) 14.199 42.860 ( 13.757 8.751 0.245) 16.307 43.270 ( 8.799 -4.119 -0.306) 9.720 43.866 ( 13.434 -13.543 0.430) 19.081 45.196 ( -7.806 5.436 -0.372) 9.520 45.582 ( -12.781 -0.143 1.449) 12.864 45.890 ( -11.157 3.225 -1.271) 11.683 46.347 ( -14.314 -6.972 -0.232) 15.923 54.757 ( 47.601 35.069 0.482) 59.126 56.725 ( 66.546 31.360 -1.148) 73.574 57.644 ( 61.361 -14.049 15.786) 64.898 61.600 ( -11.649 52.994 -24.902) 59.701 65.590 ( -21.311 23.559 -8.605) 32.913 66.511 ( -26.742 -29.258 -6.507) 40.168 71.454 ( -14.757 -28.327 1.430) 31.972 72.724 ( 3.547 -13.084 -12.439) 18.398 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 6.358 -5.886 3.409) 9.311 2.107 ( 4.578 9.223 -4.471) 11.225 2.233 ( 5.899 -6.733 -0.287) 8.956 2.591 ( 4.979 11.408 -0.155) 12.449 2.753 ( 1.208 2.003 6.052) 6.488 3.221 ( -3.172 -5.087 -1.410) 6.158 3.328 ( 0.700 -3.889 0.751) 4.022 3.611 ( 9.025 7.248 1.184) 11.635 3.785 ( 2.266 1.576 -3.441) 4.412 3.975 ( -1.818 4.005 -1.749) 4.734 4.053 ( -1.219 -0.366 0.607) 1.409 4.423 ( 0.112 -0.061 -1.771) 1.776 4.514 ( -0.067 0.215 -3.062) 3.070 4.693 ( 0.702 0.944 3.121) 3.335 4.771 ( 1.939 4.408 2.070) 5.242 5.078 ( -4.518 1.360 1.853) 5.069 5.477 ( 18.189 10.731 -2.211) 21.234 5.741 ( 8.761 7.521 -1.217) 11.610 5.784 ( -0.033 -5.997 4.582) 7.547 6.054 ( 0.454 0.833 -2.247) 2.439 6.113 ( -2.015 2.222 -0.104) 3.001 6.321 ( 8.828 5.406 1.588) 10.473 6.844 ( -5.310 -6.168 -1.966) 8.373 7.257 ( -1.295 -3.509 1.337) 3.972 7.505 ( -4.723 1.133 1.933) 5.227 7.845 ( 1.522 1.452 3.188) 3.819 8.043 ( -3.357 3.482 -2.542) 5.464 8.300 ( 6.903 3.665 -3.413) 8.528 8.930 ( -2.242 -0.790 0.564) 2.443 10.155 ( 4.363 -1.584 0.343) 4.654 10.514 ( -19.280 -13.330 -0.010) 23.439 11.159 ( -10.439 -11.537 0.282) 15.561 13.196 ( 34.430 26.264 -0.344) 43.305 14.396 ( 21.946 16.499 1.905) 27.522 15.225 ( -8.202 2.552 -1.116) 8.662 15.491 ( 3.092 3.863 -4.290) 6.549 27.007 ( 0.505 0.146 -0.040) 0.527 27.024 ( 0.036 -0.106 0.402) 0.417 27.052 ( 0.809 0.111 -0.023) 0.817 27.167 ( -0.196 -0.803 -0.542) 0.988 27.451 ( -1.119 0.063 0.327) 1.168 27.592 ( -2.637 -1.536 -0.346) 3.072 33.430 ( 1.527 2.337 0.979) 2.958 33.851 ( -0.023 0.715 -6.093) 6.135 34.234 ( 0.884 -1.774 6.400) 6.700 34.901 ( -1.252 0.119 -1.840) 2.229 35.737 ( 2.170 1.450 0.742) 2.713 36.016 ( -0.492 -0.382 -0.655) 0.904 36.781 ( 0.179 -0.589 1.723) 1.830 37.092 ( -1.194 -2.545 -1.548) 3.209 42.637 ( 10.777 9.155 -0.240) 14.143 42.886 ( 14.156 9.128 0.455) 16.850 43.350 ( 0.232 1.955 -0.310) 1.993 44.097 ( -1.870 -2.776 0.300) 3.360 45.106 ( 0.004 -0.819 0.443) 0.931 45.477 ( -2.133 -4.108 -0.024) 4.629 45.792 ( -7.920 -2.784 -0.112) 8.396 46.310 ( -12.193 -8.773 -0.553) 15.032 54.773 ( 50.841 37.227 0.696) 63.017 56.739 ( 63.078 59.129 0.949) 86.463 58.452 ( 19.095 -15.486 4.863) 25.062 60.385 ( -38.222 60.110 -5.570) 71.450 65.100 ( -8.889 10.498 -0.851) 13.782 66.659 ( -24.648 -30.480 -9.148) 40.252 71.745 ( -8.291 -24.156 2.720) 25.683 72.945 ( 3.395 -11.391 -12.369) 17.154 ======================= Grid point 131 (55/172) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 3.717 12.942 -2.154) 13.636 2.064 ( 5.565 -2.748 1.294) 6.339 2.310 ( -4.433 -2.799 -3.545) 6.329 2.417 ( 4.227 14.876 1.715) 15.560 2.849 ( 8.602 -2.788 8.159) 12.179 3.192 ( -10.271 -1.527 -3.540) 10.971 3.419 ( 7.363 -0.545 0.991) 7.450 3.617 ( 4.336 1.588 1.256) 4.785 3.742 ( 2.211 6.036 -3.483) 7.311 3.881 ( 1.052 5.990 -1.086) 6.178 4.078 ( -2.264 -4.238 -0.388) 4.820 4.432 ( 1.812 0.238 -0.971) 2.069 4.513 ( 1.034 0.106 -2.620) 2.819 4.681 ( 3.042 4.617 2.056) 5.899 4.711 ( -4.200 1.389 1.601) 4.705 5.008 ( -4.022 1.803 1.372) 4.617 5.540 ( 15.465 7.313 -2.342) 17.266 5.715 ( 9.056 9.593 0.207) 13.194 5.841 ( -2.484 -3.284 4.285) 5.943 5.982 ( -1.889 6.596 -1.363) 6.996 6.085 ( -2.500 -1.115 -0.196) 2.744 6.359 ( 10.733 5.115 2.435) 12.136 6.752 ( -14.733 1.720 -2.914) 15.117 7.210 ( -9.821 0.836 4.908) 11.011 7.444 ( -2.048 6.117 -4.535) 7.886 7.599 ( -19.766 11.037 2.584) 22.785 7.855 ( -5.267 4.729 2.123) 7.390 8.160 ( 0.283 7.785 -3.755) 8.648 9.352 ( 24.520 -19.963 0.149) 31.619 10.424 ( 14.611 -11.960 1.132) 18.916 10.519 ( -16.644 -16.093 -0.908) 23.169 11.253 ( -4.573 -12.173 -0.166) 13.005 13.205 ( 36.242 25.880 -0.577) 44.538 14.352 ( 14.769 18.190 1.278) 23.466 14.933 ( -19.208 11.011 -1.485) 22.190 15.370 ( -5.256 10.106 -2.646) 11.694 27.010 ( 0.408 0.206 0.190) 0.495 27.024 ( -0.384 -0.053 0.177) 0.426 27.060 ( 1.251 0.558 -0.056) 1.371 27.154 ( -1.878 0.584 -0.454) 2.018 27.467 ( 1.021 -1.881 0.336) 2.166 27.593 ( -1.985 -2.215 -0.345) 2.994 33.400 ( 0.191 2.836 1.561) 3.243 33.833 ( 0.561 0.714 -6.954) 7.013 34.276 ( 0.090 -1.353 7.415) 7.538 34.887 ( -0.500 -0.250 -2.706) 2.763 35.739 ( 1.764 1.474 1.253) 2.618 35.997 ( -1.692 0.727 -0.855) 2.030 36.803 ( 0.738 -0.900 1.898) 2.227 37.111 ( -1.044 -1.770 -1.843) 2.761 42.615 ( 9.731 9.117 0.001) 13.335 42.902 ( 12.760 9.956 -0.081) 16.185 43.226 ( -6.632 6.968 0.422) 9.628 43.907 ( -16.600 8.974 -0.116) 18.871 45.216 ( 7.525 -5.936 0.914) 9.628 45.663 ( 2.032 -8.268 -0.364) 8.521 45.785 ( 1.748 -8.490 0.138) 8.670 46.332 ( -9.824 -10.649 -0.759) 14.508 54.808 ( 57.335 39.961 0.993) 69.894 56.460 ( 54.137 63.109 -0.573) 83.150 58.428 ( -42.535 4.353 0.022) 42.757 58.809 ( -46.960 69.389 0.058) 83.786 65.099 ( 7.541 -9.457 4.346) 12.853 66.884 ( -18.879 -33.701 -11.947) 40.434 71.999 ( -2.607 -14.854 4.127) 15.635 73.111 ( 3.457 -6.225 -10.841) 12.970 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.618 15.968 2.495) 16.373 2.079 ( 5.066 11.525 -0.752) 12.612 2.244 ( -0.957 4.389 -2.779) 5.282 2.322 ( 2.285 0.630 0.977) 2.564 2.942 ( -0.668 7.539 1.400) 7.697 3.061 ( -8.581 -4.410 -0.776) 9.680 3.501 ( 8.500 2.676 1.552) 9.045 3.659 ( 6.031 8.522 -2.420) 10.718 3.684 ( -1.358 -6.390 0.114) 6.534 3.828 ( 7.916 7.398 1.012) 10.882 4.109 ( -2.766 -3.401 -1.467) 4.623 4.444 ( 2.701 3.065 2.119) 4.602 4.517 ( -4.508 2.883 -3.725) 6.520 4.546 ( -5.033 3.613 1.187) 6.308 4.690 ( 1.524 1.028 1.070) 2.127 4.912 ( -5.637 3.327 0.493) 6.564 5.544 ( 6.113 8.992 0.389) 10.880 5.647 ( 7.905 11.818 1.251) 14.273 5.803 ( -4.414 11.336 -0.579) 12.179 5.899 ( 0.298 -5.566 2.437) 6.083 6.066 ( -4.094 -2.777 -0.428) 4.965 6.417 ( 10.051 4.573 2.320) 11.284 6.519 ( -8.644 4.219 -4.397) 10.577 6.982 ( -21.991 14.789 -0.410) 26.504 7.108 ( -8.267 0.672 5.296) 9.841 7.491 ( 2.099 2.178 -3.146) 4.364 7.743 ( -2.250 3.991 3.513) 5.774 8.116 ( 1.377 0.278 -3.457) 3.732 9.956 ( 22.839 -18.447 -0.047) 29.359 10.537 ( -16.507 -16.303 0.099) 23.200 10.842 ( 9.703 -14.742 1.529) 17.715 11.451 ( 2.615 -14.389 -1.749) 14.728 13.244 ( 39.438 26.524 -0.602) 47.531 14.071 ( -18.375 18.807 -2.542) 26.416 14.536 ( -4.452 16.567 2.190) 17.294 15.045 ( -10.243 17.031 -3.680) 20.212 27.007 ( -0.231 0.525 0.427) 0.715 27.022 ( 0.233 -0.094 -0.066) 0.260 27.063 ( 0.946 0.833 -0.039) 1.261 27.117 ( -1.693 0.843 -0.414) 1.936 27.520 ( 1.184 -2.574 0.474) 2.872 27.614 ( -1.005 -2.826 -0.513) 3.043 33.354 ( -0.606 2.890 2.022) 3.579 33.823 ( 1.343 0.506 -7.985) 8.113 34.298 ( -1.180 -0.550 8.465) 8.565 34.890 ( 0.451 -0.697 -3.433) 3.532 35.733 ( 0.785 1.661 1.874) 2.624 35.960 ( -1.298 1.131 -1.125) 2.056 36.827 ( 0.510 -0.717 1.958) 2.146 37.116 ( -0.631 -0.554 -1.996) 2.166 42.574 ( 6.659 9.052 0.719) 11.260 42.843 ( 3.670 10.181 -2.800) 11.178 43.051 ( -0.772 8.073 3.429) 8.805 43.537 ( -15.087 10.668 -0.863) 18.498 45.420 ( 7.890 -6.147 1.129) 10.066 45.659 ( -6.416 -2.581 -0.343) 6.924 46.130 ( 12.371 -14.727 -0.009) 19.234 46.401 ( -8.151 -11.520 -0.958) 14.144 54.891 ( 63.752 42.264 1.820) 76.511 56.075 ( 48.268 61.902 -1.381) 78.508 57.007 ( -66.323 59.019 -2.345) 88.812 57.552 ( -63.798 28.679 -0.836) 69.952 65.466 ( 10.231 -18.106 5.635) 21.547 67.251 ( -9.622 -36.586 -18.181) 41.973 72.159 ( 1.294 -5.532 6.258) 8.452 73.175 ( 2.776 1.443 -8.834) 9.372 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 3.367 18.074 8.293) 20.168 1.856 ( 2.629 20.883 2.033) 21.146 2.189 ( -2.172 0.306 -5.958) 6.349 2.360 ( 4.723 2.450 -1.535) 5.538 2.648 ( -2.426 20.594 2.552) 20.893 3.084 ( -6.851 -7.081 -5.626) 11.346 3.503 ( -7.022 4.352 -0.471) 8.274 3.592 ( 5.287 6.909 -1.727) 8.870 3.742 ( -0.693 -0.654 2.402) 2.584 3.863 ( 16.239 6.204 2.330) 17.539 4.078 ( -7.678 3.508 0.746) 8.474 4.228 ( -5.585 3.349 1.479) 6.678 4.473 ( 2.138 0.298 0.134) 2.163 4.551 ( 2.330 1.215 -1.434) 2.993 4.689 ( -2.433 0.137 -1.262) 2.744 4.807 ( -0.034 3.257 0.998) 3.406 5.441 ( -0.982 14.313 2.312) 14.531 5.542 ( 3.948 11.562 1.648) 12.328 5.544 ( 1.418 8.771 1.164) 8.961 5.959 ( -8.041 -7.259 -0.400) 10.841 6.143 ( 3.456 -5.789 -0.752) 6.784 6.393 ( -2.245 -0.529 -3.256) 3.990 6.490 ( 3.373 4.609 2.202) 6.122 6.612 ( 0.373 9.291 -0.662) 9.322 7.042 ( -4.096 -0.004 4.398) 6.010 7.478 ( 3.186 2.708 -4.024) 5.804 7.677 ( -2.049 2.229 4.649) 5.548 8.135 ( 0.278 -1.518 -3.562) 3.882 10.384 ( 1.746 -12.886 2.028) 13.161 10.683 ( -3.602 -19.800 -2.557) 20.286 11.119 ( 4.031 -10.722 4.338) 12.249 11.704 ( -2.695 -14.388 -4.286) 15.253 13.149 ( -7.602 29.325 0.564) 30.300 13.548 ( 12.605 15.816 -7.783) 21.670 14.226 ( -7.775 19.354 4.123) 21.261 14.682 ( 5.800 20.019 -4.741) 21.374 26.992 ( -0.240 0.844 0.381) 0.957 27.030 ( 0.491 -0.222 -0.042) 0.541 27.055 ( -0.116 0.668 0.017) 0.678 27.093 ( -0.107 0.786 -0.419) 0.897 27.568 ( -0.081 -2.453 0.621) 2.532 27.656 ( 0.100 -2.995 -0.681) 3.073 33.306 ( -0.585 2.485 2.267) 3.415 33.825 ( 2.163 0.137 -8.913) 9.173 34.290 ( -2.543 0.407 9.016) 9.376 34.908 ( 1.160 -0.999 -3.661) 3.968 35.708 ( -0.660 1.895 2.307) 3.057 35.935 ( 0.351 1.011 -1.286) 1.673 36.840 ( -0.243 -0.319 1.895) 1.937 37.109 ( 0.167 0.669 -1.963) 2.081 42.472 ( -0.656 8.142 1.406) 8.288 42.716 ( 2.193 8.284 -4.083) 9.492 42.926 ( -1.748 7.812 5.478) 9.700 43.278 ( -0.350 9.159 -1.855) 9.352 45.536 ( -1.507 -2.483 1.216) 3.148 45.669 ( 1.239 -3.238 -0.856) 3.571 46.435 ( -2.291 -12.121 0.215) 12.337 46.519 ( 2.263 -10.911 -1.101) 11.197 54.778 ( -0.315 41.317 4.736) 41.589 55.465 ( -24.277 55.730 -4.897) 60.985 55.625 ( 31.480 60.173 3.872) 68.020 56.493 ( -6.023 22.986 -13.550) 27.354 65.856 ( 2.724 -19.497 6.920) 20.867 67.697 ( -5.004 -32.423 -29.493) 44.115 72.234 ( 3.282 0.822 9.092) 9.701 73.098 ( 1.572 9.886 -7.219) 12.342 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 4.541 18.288 13.742) 23.322 1.480 ( -5.548 24.346 5.467) 25.561 2.139 ( -0.790 4.472 -9.223) 10.281 2.192 ( 2.751 19.646 0.433) 19.842 2.480 ( 14.470 9.636 1.551) 17.454 3.113 ( -6.228 -8.069 -9.459) 13.905 3.194 ( -15.242 7.908 0.162) 17.172 3.551 ( 2.480 4.186 -1.447) 5.076 3.757 ( 0.064 -0.080 3.485) 3.486 3.949 ( -2.705 1.631 2.353) 3.938 3.985 ( 22.263 10.173 -0.164) 24.478 4.250 ( 1.244 -3.310 -1.148) 3.718 4.514 ( -1.648 2.377 -0.973) 3.052 4.522 ( 3.330 -0.065 2.593) 4.221 4.625 ( -3.582 0.099 -0.566) 3.628 4.823 ( 3.285 0.365 2.237) 3.991 5.179 ( -0.843 10.086 -0.376) 10.128 5.364 ( 4.806 14.761 -0.492) 15.532 5.581 ( 6.938 1.038 8.636) 11.126 5.983 ( -7.403 -8.266 -3.007) 11.497 6.221 ( 0.331 -1.374 -1.831) 2.313 6.374 ( -3.114 1.723 -0.063) 3.559 6.437 ( 3.387 -0.517 -0.898) 3.542 6.673 ( 12.330 2.223 1.967) 12.682 7.033 ( 2.891 -0.360 1.104) 3.115 7.478 ( 4.288 2.125 -3.480) 5.918 7.633 ( -1.732 1.364 6.272) 6.648 8.145 ( -1.364 -0.891 -3.831) 4.163 10.502 ( -11.553 -13.283 2.565) 17.790 10.840 ( -14.783 -5.371 -0.938) 15.756 11.388 ( 8.388 -14.058 2.773) 16.603 11.716 ( -20.042 -6.643 -5.270) 21.762 12.444 ( -23.500 19.349 -0.392) 30.443 13.749 ( 47.386 15.290 -11.580) 51.121 13.787 ( -11.944 14.702 2.685) 19.132 14.562 ( 24.288 18.389 -4.604) 30.810 26.979 ( 0.168 0.770 0.340) 0.859 27.037 ( -0.357 -0.208 0.266) 0.491 27.045 ( 0.210 0.311 -0.286) 0.471 27.083 ( 0.720 0.979 -0.420) 1.286 27.599 ( -1.057 -2.201 0.612) 2.517 27.700 ( -0.002 -2.384 -0.698) 2.484 33.274 ( 0.505 1.710 2.122) 2.772 33.841 ( 2.695 -0.126 -9.589) 9.962 34.253 ( -3.618 1.371 9.068) 9.859 34.934 ( 1.294 -0.997 -3.348) 3.725 35.671 ( -1.082 1.696 2.235) 3.007 35.927 ( 1.278 1.191 -1.168) 2.101 36.838 ( -0.926 -0.040 1.762) 1.991 37.096 ( 1.083 1.420 -1.825) 2.554 42.348 ( -1.822 4.594 1.182) 5.081 42.606 ( -0.460 6.239 -1.228) 6.375 42.826 ( 1.730 4.566 3.050) 5.757 43.192 ( 9.152 9.948 -1.316) 13.582 45.539 ( -2.069 -2.419 0.083) 3.184 45.716 ( 0.437 -0.510 -0.362) 0.763 46.521 ( -9.811 -10.685 -0.635) 14.520 46.715 ( 2.981 -7.013 -0.072) 7.620 53.712 ( -43.968 30.394 0.999) 53.460 54.426 ( -21.336 37.916 -0.161) 43.507 55.211 ( 42.716 51.207 2.169) 66.720 56.960 ( 118.666 10.823 -27.880) 122.376 66.177 ( -3.055 -20.187 9.135) 22.367 67.965 ( -11.317 -17.908 -42.807) 47.762 72.236 ( 1.631 5.211 9.390) 10.862 72.890 ( 1.246 16.510 -6.639) 17.838 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 12.146 -0.000 8.429) 14.784 1.786 ( 13.353 -0.000 4.062) 13.957 2.339 ( 1.752 -0.000 -8.404) 8.585 2.555 ( 11.541 -0.000 -4.701) 12.462 2.955 ( 3.799 -0.000 3.212) 4.975 3.008 ( -5.741 0.000 3.602) 6.778 3.320 ( -7.809 0.000 4.934) 9.238 3.563 ( 2.597 -0.000 -4.002) 4.771 3.804 ( 6.733 -0.000 -2.580) 7.210 4.158 ( -3.146 0.000 1.972) 3.713 4.257 ( 5.865 -0.000 0.373) 5.877 4.449 ( -0.743 0.000 -4.974) 5.029 4.508 ( 0.182 -0.000 2.215) 2.222 4.660 ( -0.277 0.000 3.242) 3.254 4.991 ( 15.358 -0.000 1.818) 15.465 5.185 ( 8.145 -0.000 -1.675) 8.316 5.280 ( -2.334 0.000 1.689) 2.881 5.732 ( 1.630 -0.000 1.430) 2.169 5.946 ( 8.096 -0.000 -3.628) 8.872 6.002 ( 11.547 -0.000 -0.451) 11.556 6.185 ( 0.745 -0.000 -1.336) 1.530 6.341 ( 2.616 -0.000 -0.993) 2.798 6.746 ( 24.036 -0.000 -5.219) 24.596 6.909 ( 22.345 -0.000 2.785) 22.518 7.150 ( -2.298 0.000 3.879) 4.508 7.601 ( -3.701 0.000 2.744) 4.607 7.895 ( 6.196 -0.000 4.506) 7.662 8.270 ( 12.580 -0.000 -7.612) 14.703 9.906 ( -27.319 0.000 -3.870) 27.592 10.081 ( -26.131 0.000 4.490) 26.514 10.744 ( -14.463 0.000 1.132) 14.507 10.750 ( -22.919 0.000 -0.953) 22.938 13.737 ( 28.173 -0.000 1.957) 28.240 14.779 ( 21.504 -0.000 5.152) 22.112 14.804 ( 21.070 -0.000 0.363) 21.073 15.470 ( 11.710 -0.000 -15.310) 19.275 27.001 ( 1.746 -0.000 0.016) 1.746 27.019 ( 0.260 -0.000 0.007) 0.260 27.041 ( -0.211 0.000 0.382) 0.437 27.112 ( 1.391 -0.000 -0.713) 1.563 27.513 ( -3.250 0.000 0.881) 3.367 27.593 ( -3.856 0.000 -1.046) 3.996 33.464 ( 3.456 -0.000 -0.217) 3.463 33.878 ( -0.280 0.000 -5.484) 5.491 34.152 ( 1.662 -0.000 6.014) 6.239 34.929 ( -1.952 0.000 -0.931) 2.162 35.759 ( 2.996 -0.000 0.023) 2.996 35.964 ( 1.959 -0.000 -0.349) 1.990 36.782 ( -1.057 0.000 1.290) 1.668 37.015 ( -1.296 0.000 -0.780) 1.512 42.824 ( 15.203 -0.000 0.237) 15.205 43.090 ( 18.539 -0.000 -2.106) 18.658 43.158 ( 9.502 -0.000 1.208) 9.578 43.538 ( 15.285 -0.000 0.789) 15.305 45.376 ( -9.681 0.000 -3.497) 10.293 45.475 ( -12.557 0.000 4.348) 13.289 46.092 ( -15.077 0.000 -4.884) 15.849 46.114 ( -20.280 0.000 3.428) 20.567 55.884 ( 50.701 -0.000 -5.916) 51.045 56.070 ( 61.237 -0.000 5.169) 61.455 58.163 ( 84.024 -0.000 34.391) 90.790 62.786 ( -6.986 0.000 -73.066) 73.400 65.701 ( -36.028 0.000 4.595) 36.320 66.188 ( -17.653 0.000 -5.846) 18.596 70.824 ( -19.640 0.000 2.035) 19.745 72.461 ( 4.110 -0.000 -11.688) 12.390 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 10.017 -0.644 5.929) 11.658 1.988 ( 9.945 -5.828 4.583) 12.405 2.325 ( 2.404 3.065 -6.826) 7.859 2.676 ( 8.494 -0.735 -3.449) 9.197 2.912 ( -6.058 3.630 4.371) 8.305 3.016 ( -0.943 -4.426 0.493) 4.552 3.244 ( -5.224 -0.782 4.168) 6.729 3.624 ( 0.803 -4.468 -3.197) 5.552 3.833 ( 3.605 2.595 -1.996) 4.869 4.105 ( -3.462 1.941 1.987) 4.439 4.266 ( 5.763 6.330 -0.084) 8.561 4.409 ( -0.317 1.817 -4.173) 4.562 4.520 ( -0.396 -0.385 1.242) 1.359 4.665 ( -1.404 -1.162 3.158) 3.646 5.022 ( 5.398 6.365 1.485) 8.477 5.140 ( -1.342 5.748 -0.001) 5.902 5.521 ( 11.469 -10.485 -0.106) 15.539 5.752 ( -1.663 -2.957 1.486) 3.704 5.868 ( 10.055 13.209 -2.438) 16.779 6.129 ( 1.337 -0.081 -1.148) 1.764 6.186 ( 2.525 2.768 -1.425) 4.008 6.501 ( 3.581 -11.963 -1.261) 12.551 6.771 ( 25.455 20.360 -1.656) 32.638 7.164 ( 2.728 -1.679 1.971) 3.761 7.503 ( 13.777 -13.351 0.934) 19.207 7.550 ( 4.799 -7.108 2.621) 8.967 7.982 ( 7.212 -1.168 5.446) 9.113 8.394 ( 11.588 2.719 -7.714) 14.184 9.334 ( -27.542 18.346 -1.270) 33.117 9.989 ( -25.298 -17.331 1.622) 30.708 10.342 ( -14.617 10.360 -0.075) 17.916 10.757 ( -14.826 -13.400 0.389) 19.988 13.917 ( 25.669 15.151 1.118) 29.828 14.857 ( 20.060 11.869 3.272) 23.537 15.152 ( 10.157 -6.707 0.660) 12.190 15.567 ( 8.038 1.005 -9.779) 12.699 27.015 ( 1.032 0.451 -0.113) 1.132 27.027 ( 0.476 0.019 0.614) 0.777 27.045 ( 0.710 -0.432 -0.234) 0.863 27.134 ( 1.067 -0.813 -0.525) 1.441 27.470 ( -2.975 0.664 0.708) 3.129 27.553 ( -3.495 -0.810 -0.794) 3.675 33.492 ( 2.784 1.248 0.079) 3.052 33.862 ( -0.764 0.078 -4.754) 4.815 34.191 ( 2.017 -0.794 5.439) 5.855 34.902 ( -2.066 0.001 -1.227) 2.403 35.782 ( 2.467 1.096 0.313) 2.718 35.992 ( 1.330 -0.740 -0.556) 1.621 36.773 ( -0.580 0.023 1.329) 1.451 37.013 ( -1.392 -1.792 -0.909) 2.444 42.936 ( 14.665 8.041 -0.323) 16.728 43.205 ( 16.385 9.298 1.222) 18.879 43.318 ( 10.224 -2.680 -1.672) 10.701 43.825 ( 12.513 -10.827 0.874) 16.570 45.185 ( -8.256 5.324 -0.632) 9.844 45.390 ( -12.841 -4.553 1.283) 13.685 45.787 ( -15.291 4.412 -0.109) 15.915 46.024 ( -17.042 -8.837 -1.071) 19.227 56.008 ( 57.292 38.571 -0.656) 69.069 57.219 ( 49.789 -27.636 0.201) 56.945 58.867 ( 67.260 29.645 29.822) 79.323 62.123 ( -23.256 43.720 -38.763) 62.887 65.465 ( -30.468 -12.992 -9.992) 34.597 65.892 ( -18.568 3.509 0.510) 18.903 70.823 ( -15.591 -25.010 3.223) 29.647 72.558 ( 2.540 -9.156 -13.388) 16.417 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 8.492 -2.727 4.920) 10.186 2.174 ( 3.748 -5.043 3.560) 7.221 2.277 ( 2.506 5.763 -4.843) 7.934 2.765 ( 3.069 5.118 -0.035) 5.968 2.784 ( -0.409 0.163 3.430) 3.458 3.048 ( -6.811 -5.011 -2.733) 8.887 3.260 ( -0.533 -5.252 3.264) 6.207 3.678 ( -2.125 -2.704 -2.429) 4.210 3.829 ( 3.478 2.012 -1.679) 4.355 4.030 ( -3.121 2.370 0.881) 4.017 4.207 ( 6.864 10.243 0.745) 12.353 4.394 ( -0.663 -1.425 -4.006) 4.303 4.519 ( 0.206 0.172 0.827) 0.870 4.670 ( -1.944 -1.494 2.713) 3.657 4.979 ( 5.013 6.939 0.123) 8.561 5.047 ( -0.764 4.324 0.254) 4.398 5.702 ( -0.678 -3.622 2.818) 4.639 5.803 ( 11.952 10.868 -2.765) 16.390 5.839 ( 5.517 -5.261 0.525) 7.642 6.112 ( -0.825 2.172 -0.668) 2.417 6.152 ( 2.045 3.911 -1.950) 4.825 6.638 ( -2.777 -3.563 0.090) 4.518 6.771 ( 23.620 16.557 -1.704) 28.895 7.233 ( 1.391 0.046 2.270) 2.662 7.456 ( -3.910 -0.982 2.280) 4.631 7.870 ( 2.796 -1.975 3.050) 4.585 8.076 ( -7.792 9.323 -0.828) 12.179 8.449 ( 10.742 1.918 -3.992) 11.619 8.899 ( -2.245 0.600 -0.276) 2.341 9.969 ( -26.488 -18.399 0.475) 32.255 10.183 ( 3.760 -1.424 0.006) 4.020 10.815 ( -12.516 -14.716 0.083) 19.319 13.952 ( 26.993 19.005 0.313) 33.013 14.874 ( 14.455 13.794 2.516) 20.138 15.204 ( -3.449 4.840 -1.451) 6.118 15.591 ( 4.060 4.310 -4.475) 7.422 27.017 ( 0.638 0.357 -0.116) 0.740 27.026 ( -0.160 0.217 0.570) 0.631 27.068 ( 1.770 -0.200 -0.235) 1.796 27.152 ( -0.310 -0.561 -0.435) 0.775 27.436 ( -1.330 -0.110 0.513) 1.430 27.532 ( -2.797 -1.523 -0.518) 3.227 33.490 ( 1.662 2.478 0.605) 3.044 33.845 ( -0.633 0.079 -5.033) 5.073 34.237 ( 1.686 -1.006 5.854) 6.174 34.879 ( -1.675 -0.249 -1.864) 2.518 35.789 ( 2.051 1.515 0.736) 2.654 36.007 ( -0.077 -0.060 -0.777) 0.783 36.777 ( 0.179 -0.588 1.509) 1.629 37.032 ( -1.263 -2.696 -1.225) 3.220 42.946 ( 13.171 11.006 -0.311) 17.166 43.242 ( 15.676 10.609 0.771) 18.945 43.398 ( 2.851 3.397 -0.791) 4.505 44.024 ( -2.929 -2.675 0.444) 3.992 45.091 ( -0.286 -1.135 0.516) 1.279 45.355 ( -3.087 -7.396 -0.253) 8.018 45.632 ( -10.173 -2.938 0.696) 10.612 45.983 ( -14.935 -10.678 -1.344) 18.408 56.102 ( 62.101 39.663 0.520) 73.689 57.864 ( 21.990 4.825 1.938) 22.597 59.011 ( 43.954 40.655 12.346) 61.133 60.891 ( -33.447 60.504 -11.859) 70.143 65.180 ( -8.729 11.356 -7.209) 16.035 65.834 ( -26.718 -28.466 -1.642) 39.076 71.175 ( -8.359 -33.877 4.161) 35.140 72.751 ( 1.899 -13.812 -14.149) 19.864 ======================= Grid point 141 (62/172) ======================= q-point: (-0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 6.480 -2.850 3.432) 7.867 2.176 ( -0.773 6.637 -3.142) 7.384 2.247 ( 3.007 0.404 4.719) 5.610 2.616 ( -2.544 8.687 1.347) 9.151 2.904 ( 7.753 -2.834 2.831) 8.726 2.993 ( -11.977 -3.513 -5.459) 13.623 3.395 ( 2.776 -8.581 2.430) 9.340 3.641 ( -2.640 2.543 -1.050) 3.813 3.849 ( 3.447 1.581 -2.825) 4.729 3.971 ( -2.466 0.298 -0.115) 2.486 4.128 ( 5.213 8.513 1.416) 10.082 4.415 ( -0.292 -2.273 -3.629) 4.292 4.529 ( 1.311 -0.255 1.162) 1.770 4.672 ( -1.993 -0.980 1.846) 2.887 4.912 ( 7.802 12.056 -1.002) 14.395 4.978 ( -3.996 1.170 0.728) 4.227 5.729 ( -2.436 -2.445 2.606) 4.325 5.796 ( 10.935 7.416 -0.848) 13.240 5.947 ( 3.988 0.864 2.039) 4.561 6.031 ( -3.133 4.745 -0.523) 5.711 6.119 ( 3.058 4.110 -2.780) 5.828 6.569 ( -9.804 1.280 -1.766) 10.044 6.793 ( 23.885 16.512 -0.897) 29.050 7.157 ( -6.048 3.259 6.161) 9.228 7.499 ( 4.278 -0.925 -2.026) 4.823 7.546 ( -27.510 19.007 -0.383) 33.440 7.858 ( -3.055 2.053 3.449) 5.044 8.326 ( 0.235 13.093 -3.900) 13.663 9.329 ( 25.149 -20.538 0.369) 32.472 9.955 ( -25.763 -19.655 -0.238) 32.405 10.415 ( 12.335 -11.148 0.866) 16.649 10.937 ( -8.490 -17.221 -0.950) 19.223 13.987 ( 29.038 18.656 -0.236) 34.515 14.683 ( -8.958 18.758 -0.777) 20.802 15.014 ( 1.110 12.784 1.590) 12.930 15.484 ( -1.737 10.471 -3.132) 11.066 27.018 ( 0.176 0.307 0.266) 0.442 27.021 ( -0.043 0.105 0.124) 0.168 27.089 ( 2.055 0.469 -0.160) 2.114 27.137 ( -1.972 0.396 -0.381) 2.047 27.449 ( 0.472 -1.730 0.494) 1.860 27.533 ( -1.738 -2.155 -0.483) 2.810 33.457 ( 0.522 3.347 1.203) 3.595 33.831 ( -0.139 0.001 -5.943) 5.945 34.277 ( 0.854 -0.713 6.865) 6.955 34.867 ( -0.878 -0.683 -2.650) 2.874 35.786 ( 1.402 1.644 1.254) 2.498 35.992 ( -0.869 0.830 -1.012) 1.571 36.797 ( 0.459 -1.038 1.760) 2.095 37.060 ( -0.796 -2.674 -1.627) 3.230 42.912 ( 11.098 11.775 0.085) 16.181 43.183 ( -0.896 10.221 -1.666) 10.395 43.342 ( 10.275 10.270 2.112) 14.680 43.840 ( -15.750 7.511 -0.451) 17.455 45.207 ( 6.722 -6.748 1.208) 9.601 45.510 ( -4.633 -7.792 -1.209) 9.146 45.668 ( 5.051 -12.070 1.443) 13.164 46.005 ( -11.589 -12.586 -1.637) 17.187 56.246 ( 67.733 40.894 1.595) 79.137 57.633 ( -19.783 23.711 1.103) 30.900 58.568 ( 16.843 60.837 0.558) 63.128 59.443 ( -32.707 70.541 -0.980) 77.761 65.076 ( 4.367 -2.472 3.371) 6.045 66.079 ( -16.474 -36.407 -8.369) 40.828 71.626 ( -2.533 -28.424 5.221) 29.011 72.971 ( 1.776 -12.928 -13.160) 18.533 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 1.797 10.449 1.140) 10.664 2.132 ( -1.467 1.189 -0.215) 1.900 2.352 ( 10.588 -0.815 6.209) 12.302 2.433 ( -2.971 10.429 0.356) 10.850 2.852 ( -14.654 -1.939 -5.197) 15.669 3.036 ( 5.693 -0.474 -0.265) 5.719 3.529 ( -5.884 -4.650 -0.209) 7.503 3.612 ( 7.795 -0.561 2.447) 8.190 3.813 ( 1.705 6.195 -1.860) 6.689 3.981 ( 0.377 -3.115 -1.685) 3.562 4.073 ( 0.791 3.984 2.473) 4.755 4.427 ( -2.658 -0.760 -4.500) 5.281 4.559 ( 1.326 -0.279 1.451) 1.985 4.641 ( -0.652 4.621 1.665) 4.954 4.753 ( -0.749 10.883 -0.394) 10.916 4.922 ( -0.007 2.553 -0.068) 2.554 5.707 ( 2.939 8.006 4.412) 9.602 5.784 ( -5.944 -2.375 0.471) 6.418 5.887 ( -4.267 6.571 -1.281) 7.939 5.958 ( 6.838 6.876 1.683) 9.842 6.063 ( 2.162 4.647 -2.405) 5.662 6.447 ( -2.786 2.457 -3.882) 5.373 6.775 ( 6.864 14.507 2.023) 16.176 6.990 ( -9.628 13.251 -1.522) 16.450 7.082 ( 1.972 3.973 5.301) 6.912 7.550 ( 4.000 1.274 -1.887) 4.602 7.772 ( -3.767 3.423 2.600) 5.715 8.172 ( 1.008 6.247 -3.020) 7.011 9.893 ( -0.811 -17.824 0.660) 17.855 10.025 ( 0.018 -21.509 -1.403) 21.555 10.717 ( 2.725 -13.301 3.490) 14.019 11.164 ( -2.015 -18.809 -3.129) 19.174 14.016 ( -10.608 14.443 -1.424) 17.977 14.122 ( 12.778 28.835 -1.440) 31.573 14.803 ( -3.807 16.095 3.393) 16.884 15.253 ( 2.514 15.624 -3.365) 16.179 27.011 ( -0.284 0.379 0.268) 0.544 27.024 ( 0.322 -0.090 0.146) 0.365 27.090 ( -0.321 1.394 -0.112) 1.434 27.113 ( 0.350 0.333 -0.392) 0.622 27.488 ( -0.197 -2.453 0.532) 2.518 27.561 ( 0.184 -2.738 -0.547) 2.798 33.405 ( -0.116 3.597 1.693) 3.977 33.824 ( 0.489 -0.212 -7.018) 7.039 34.297 ( -0.342 0.039 7.854) 7.861 34.872 ( 0.047 -1.177 -3.226) 3.435 35.770 ( -0.049 1.895 1.731) 2.567 35.968 ( 0.105 1.049 -1.184) 1.586 36.820 ( -0.086 -0.951 1.961) 2.181 37.090 ( 0.029 -1.884 -1.963) 2.721 42.801 ( -0.584 12.151 0.894) 12.198 42.998 ( 2.054 9.350 -3.334) 10.137 43.248 ( -2.190 12.161 4.425) 13.125 43.578 ( 0.762 9.083 -1.774) 9.286 45.383 ( -0.703 -6.952 1.588) 7.165 45.541 ( 0.751 -4.704 -0.731) 4.819 45.976 ( -3.035 -16.334 0.521) 16.622 46.128 ( 2.787 -13.032 -1.608) 13.423 56.180 ( -5.986 45.763 4.875) 46.409 56.921 ( 12.173 23.571 -6.783) 27.382 57.743 ( -3.868 68.841 2.427) 68.992 57.893 ( -2.409 76.108 -0.370) 76.147 65.267 ( -1.398 -14.799 6.820) 16.355 66.573 ( 2.673 -37.169 -13.811) 39.742 71.993 ( 0.388 -17.805 6.488) 18.954 73.136 ( 1.136 -7.344 -11.119) 13.374 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 4.951 15.342 6.469) 17.370 2.088 ( -1.202 3.842 -0.684) 4.084 2.183 ( -6.459 11.149 -1.659) 12.991 2.466 ( 4.612 3.818 -0.412) 6.001 2.740 ( -7.518 -5.094 -1.064) 9.143 3.045 ( 5.422 6.384 -2.142) 8.645 3.463 ( -10.585 3.764 0.104) 11.235 3.690 ( -2.007 -1.114 1.845) 2.945 3.719 ( 1.213 6.204 -1.428) 6.481 3.995 ( -4.469 2.425 4.676) 6.908 4.071 ( 5.095 -4.677 -1.364) 7.050 4.298 ( -1.753 6.778 -4.401) 8.269 4.537 ( 1.569 1.364 0.640) 2.175 4.622 ( 5.093 1.829 1.537) 5.626 4.648 ( -3.802 2.241 -0.811) 4.487 4.906 ( 5.137 3.417 0.322) 6.178 5.577 ( -10.424 11.245 0.416) 15.339 5.639 ( -4.024 5.215 2.276) 6.969 5.792 ( 2.342 1.909 1.176) 3.243 5.862 ( 3.971 9.539 -0.257) 10.336 6.115 ( 4.092 -3.042 0.201) 5.103 6.356 ( -5.901 2.667 -1.439) 6.634 6.591 ( 3.204 6.308 -0.328) 7.083 6.931 ( 15.598 8.115 -1.118) 17.618 7.085 ( 10.651 6.920 3.577) 13.196 7.556 ( 3.563 2.802 -2.151) 5.017 7.686 ( -3.231 2.403 2.857) 4.937 8.123 ( 0.019 0.904 -2.963) 3.098 9.959 ( -23.486 -19.337 0.038) 30.422 10.504 ( 14.917 -15.073 -0.714) 21.219 10.923 ( -5.741 -15.580 4.314) 17.155 11.395 ( -4.765 -13.538 -4.011) 14.902 13.210 ( -36.967 26.930 -1.462) 45.760 14.207 ( 27.677 15.631 1.182) 31.808 14.401 ( -7.749 19.827 -1.771) 21.361 15.102 ( 13.671 15.477 -1.829) 20.731 27.002 ( -0.159 0.530 0.188) 0.585 27.030 ( 0.196 -0.191 0.299) 0.406 27.061 ( -0.949 0.747 -0.136) 1.215 27.117 ( 1.737 1.044 -0.418) 2.069 27.519 ( -1.354 -2.647 0.431) 3.005 27.615 ( 1.180 -2.770 -0.472) 3.048 33.352 ( -0.014 3.168 1.956) 3.723 33.829 ( 1.148 -0.579 -7.968) 8.071 34.290 ( -1.535 1.004 8.376) 8.574 34.893 ( 0.667 -1.497 -3.281) 3.668 35.731 ( -1.342 2.037 1.824) 3.046 35.962 ( 1.693 0.966 -1.057) 2.218 36.829 ( -0.912 -0.589 2.040) 2.310 37.113 ( 0.931 -0.660 -2.127) 2.414 42.568 ( -6.895 9.172 0.488) 11.485 42.875 ( -2.307 10.387 -2.790) 11.000 43.022 ( -0.733 7.598 3.579) 8.431 43.536 ( 15.150 11.168 -0.886) 18.843 45.408 ( -8.381 -5.658 0.719) 10.137 45.671 ( 6.795 -2.791 0.079) 7.346 46.104 ( -12.802 -15.167 -0.817) 19.864 46.421 ( 8.329 -11.272 -0.335) 14.019 54.874 ( -63.169 41.247 1.265) 75.453 56.109 ( -46.941 65.980 -0.325) 80.975 57.105 ( 61.039 59.102 1.339) 84.974 57.431 ( 67.482 25.923 -5.174) 72.475 65.486 ( -10.927 -21.023 6.595) 24.594 67.179 ( 9.944 -29.539 -20.294) 37.192 72.215 ( 0.890 -8.024 8.097) 11.434 73.180 ( -0.093 0.851 -9.145) 9.185 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -3.205 19.031 9.231) 21.393 1.779 ( -1.335 19.628 3.693) 20.017 2.129 ( 0.458 -0.897 -5.235) 5.331 2.341 ( -5.540 5.207 -8.416) 11.342 2.825 ( 3.466 -3.665 3.824) 6.330 2.997 ( 9.236 9.775 -3.430) 13.879 3.171 ( -11.215 7.272 3.247) 13.755 3.634 ( 0.317 4.578 -3.226) 5.610 3.713 ( -0.762 -2.810 1.051) 3.095 3.957 ( -0.157 0.473 2.447) 2.497 4.217 ( 1.736 -2.362 -3.013) 4.204 4.253 ( 7.743 0.300 0.770) 7.787 4.544 ( -2.719 5.048 -0.563) 5.761 4.547 ( -1.487 -1.428 -1.104) 2.339 4.658 ( 5.587 2.075 2.142) 6.333 4.902 ( 2.081 4.622 2.127) 5.497 5.273 ( -6.671 5.750 -0.603) 8.828 5.603 ( -2.658 0.317 -0.393) 2.706 5.711 ( 8.921 12.767 4.925) 16.336 5.871 ( 4.679 -1.128 -1.036) 4.923 6.191 ( 0.340 -2.692 0.385) 2.740 6.270 ( -6.037 -1.374 1.976) 6.499 6.596 ( 11.273 6.438 -3.149) 13.358 7.029 ( 20.699 8.130 -0.802) 22.253 7.114 ( 11.559 6.167 1.231) 13.159 7.555 ( 4.107 2.420 -2.831) 5.545 7.628 ( -3.215 0.655 4.753) 5.775 8.113 ( -1.045 -0.485 -3.382) 3.573 9.983 ( -24.287 -19.780 0.079) 31.323 10.726 ( -2.043 -2.410 1.560) 3.524 11.046 ( -22.218 -14.620 0.065) 26.597 11.514 ( 6.146 -9.292 -1.465) 11.237 12.460 ( -23.945 18.599 -0.011) 30.319 13.866 ( -14.689 15.129 1.509) 21.141 14.465 ( 35.972 12.553 -5.746) 38.530 15.068 ( 18.441 12.736 -2.033) 22.504 26.993 ( 0.134 0.568 0.138) 0.600 27.030 ( -0.518 0.107 0.384) 0.653 27.050 ( 0.032 0.029 -0.088) 0.098 27.118 ( 1.809 1.445 -0.541) 2.378 27.542 ( -1.877 -2.636 0.352) 3.255 27.666 ( 0.504 -2.140 -0.428) 2.240 33.317 ( 0.889 2.106 1.870) 2.954 33.845 ( 1.618 -0.900 -8.574) 8.772 34.257 ( -2.275 1.878 8.432) 8.933 34.921 ( 0.703 -1.469 -2.837) 3.271 35.688 ( -1.155 1.662 1.585) 2.570 35.968 ( 2.222 1.270 -0.805) 2.683 36.824 ( -1.401 -0.265 2.001) 2.457 37.125 ( 1.373 0.552 -2.121) 2.586 42.388 ( -4.036 4.721 0.340) 6.220 42.661 ( -6.687 6.175 0.074) 9.103 42.984 ( 8.811 6.688 0.522) 11.074 43.540 ( 16.944 12.965 -0.321) 21.338 45.400 ( -8.104 -6.001 0.098) 10.085 45.754 ( 4.298 0.567 0.561) 4.371 46.174 ( -13.901 -14.056 -1.193) 19.805 46.637 ( 3.044 -7.154 0.101) 7.776 53.712 ( -31.873 26.904 0.337) 41.711 54.754 ( -29.643 41.867 -0.191) 51.299 56.704 ( 49.790 63.091 2.712) 80.417 58.318 ( 96.331 -2.480 -11.970) 97.104 65.701 ( -15.523 -25.122 5.828) 30.100 67.588 ( 2.773 -14.841 -27.671) 31.522 72.295 ( -1.088 -0.229 8.584) 8.655 73.083 ( -0.552 8.726 -8.211) 11.995 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 8.541 -0.000 5.432) 10.122 2.048 ( 7.192 -0.000 4.958) 8.736 2.369 ( 2.887 -0.000 -4.346) 5.217 2.749 ( 5.467 -0.000 -4.078) 6.820 2.870 ( -6.467 0.000 3.199) 7.215 2.961 ( -2.433 0.000 -1.184) 2.706 3.180 ( -4.769 0.000 5.743) 7.465 3.595 ( 0.848 -0.000 -3.388) 3.493 3.882 ( 2.425 -0.000 -0.711) 2.527 4.085 ( -3.288 0.000 2.814) 4.328 4.303 ( -0.368 0.000 -5.269) 5.282 4.463 ( 1.776 -0.000 -0.280) 1.797 4.515 ( 0.222 -0.000 1.560) 1.576 4.638 ( -1.997 0.000 3.006) 3.609 4.995 ( -6.531 0.000 3.504) 7.411 5.276 ( 2.174 -0.000 -4.072) 4.616 5.616 ( 18.981 -0.000 -1.481) 19.039 5.688 ( -4.479 0.000 2.558) 5.158 6.071 ( 3.394 -0.000 -2.389) 4.150 6.128 ( 0.655 -0.000 1.455) 1.596 6.334 ( 11.901 -0.000 -5.593) 13.150 6.350 ( -3.975 0.000 0.824) 4.059 7.211 ( 9.024 -0.000 0.195) 9.026 7.411 ( 25.812 -0.000 -1.847) 25.878 7.434 ( -6.947 0.000 4.777) 8.431 7.573 ( 25.509 -0.000 0.797) 25.522 8.060 ( 7.286 -0.000 7.185) 10.233 8.540 ( 8.408 -0.000 -7.874) 11.520 9.196 ( -29.762 0.000 -3.938) 30.021 9.484 ( -22.080 0.000 3.213) 22.313 10.313 ( -12.320 0.000 -0.462) 12.328 10.427 ( -12.000 0.000 1.147) 12.055 14.276 ( 15.868 -0.000 2.032) 15.998 15.182 ( 9.763 -0.000 -2.980) 10.208 15.195 ( 11.180 -0.000 5.090) 12.284 15.662 ( 7.740 -0.000 -7.455) 10.746 27.030 ( -0.073 0.000 0.749) 0.752 27.031 ( 0.631 -0.000 -0.109) 0.641 27.055 ( 1.875 -0.000 -0.498) 1.940 27.139 ( 0.859 -0.000 -0.391) 0.944 27.441 ( -2.773 0.000 0.854) 2.902 27.505 ( -2.796 0.000 -0.884) 2.933 33.534 ( 2.242 -0.000 0.097) 2.244 33.844 ( -1.115 0.000 -4.179) 4.325 34.220 ( 2.315 -0.000 5.306) 5.789 34.874 ( -2.084 0.000 -1.610) 2.633 35.817 ( 1.755 -0.000 0.547) 1.838 36.002 ( 1.199 -0.000 -0.770) 1.425 36.769 ( -0.388 0.000 1.316) 1.372 36.981 ( -1.219 0.000 -0.879) 1.502 43.194 ( 14.719 -0.000 -0.957) 14.750 43.348 ( 5.545 -0.000 2.135) 5.942 43.558 ( 19.461 -0.000 -3.010) 19.692 43.861 ( 9.217 -0.000 1.999) 9.431 45.155 ( -7.372 0.000 -2.226) 7.701 45.175 ( -11.289 0.000 2.324) 11.525 45.640 ( -18.619 0.000 3.627) 18.969 45.741 ( -11.737 0.000 -4.343) 12.515 57.028 ( 42.798 -0.000 -3.866) 42.972 57.550 ( 54.726 -0.000 5.004) 54.954 59.788 ( 37.761 -0.000 32.822) 50.032 62.176 ( -22.438 0.000 -38.382) 44.459 64.895 ( -27.699 0.000 2.327) 27.796 65.826 ( -10.141 0.000 -8.559) 13.270 70.435 ( -12.445 0.000 6.579) 14.077 72.479 ( 0.810 -0.000 -15.235) 15.257 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 6.660 -0.763 5.545) 8.700 2.143 ( 1.254 -2.709 3.836) 4.860 2.389 ( 5.102 2.899 -0.139) 5.870 2.762 ( -4.436 1.545 -0.462) 4.719 2.815 ( -0.697 -1.922 -3.395) 3.963 2.941 ( -1.673 -0.377 -1.598) 2.344 3.173 ( -2.090 -3.906 5.195) 6.828 3.615 ( -0.111 -2.068 -2.904) 3.567 3.900 ( 3.165 1.636 0.317) 3.577 4.032 ( -2.989 2.278 1.907) 4.214 4.302 ( -0.289 -1.124 -4.690) 4.831 4.429 ( 0.989 5.072 -0.869) 5.241 4.525 ( 0.446 -0.103 1.832) 1.889 4.628 ( -1.949 -1.130 2.559) 3.410 4.944 ( -4.380 -1.409 2.610) 5.289 5.244 ( 4.337 6.394 -3.862) 8.638 5.643 ( -3.882 -1.336 2.461) 4.787 5.860 ( 12.611 -4.088 -2.714) 13.532 6.066 ( 6.023 5.226 -0.664) 8.002 6.116 ( -1.841 1.150 0.657) 2.267 6.222 ( -3.532 4.081 0.361) 5.409 6.516 ( 3.504 -3.521 -4.422) 6.650 7.270 ( -2.164 4.150 3.805) 6.032 7.362 ( 6.443 3.327 2.136) 7.559 7.488 ( 21.779 12.501 -1.335) 25.147 7.883 ( 3.899 0.247 3.214) 5.059 8.142 ( -7.945 11.033 0.884) 13.625 8.568 ( 10.614 -4.050 -2.720) 11.681 8.881 ( -4.292 -1.481 -2.986) 5.434 9.380 ( -22.812 -12.869 0.747) 26.202 10.199 ( 2.494 -1.598 -0.100) 2.964 10.429 ( -12.444 -12.919 0.369) 17.941 14.380 ( 11.512 6.158 2.244) 13.247 15.162 ( 3.314 9.878 -2.536) 10.723 15.284 ( 2.871 3.320 1.897) 4.781 15.706 ( 4.959 3.576 -4.081) 7.350 27.027 ( -0.296 0.162 0.474) 0.582 27.032 ( 0.528 0.548 -0.087) 0.766 27.083 ( 1.702 -0.612 -0.227) 1.823 27.145 ( -0.118 0.113 -0.394) 0.426 27.416 ( -1.457 -0.393 0.692) 1.661 27.485 ( -1.495 -0.803 -0.658) 1.820 33.543 ( 1.273 1.631 0.442) 2.116 33.826 ( -1.039 -0.200 -4.395) 4.521 34.258 ( 2.007 -0.358 5.865) 6.209 34.851 ( -1.601 -0.280 -2.278) 2.798 35.829 ( 1.169 0.826 0.906) 1.694 36.009 ( 0.278 0.273 -1.008) 1.080 36.772 ( 0.047 -0.458 1.473) 1.543 36.981 ( -0.839 -1.704 -1.099) 2.194 43.261 ( 11.084 8.804 -0.342) 14.159 43.396 ( 0.316 2.048 0.181) 2.080 43.678 ( 16.973 9.258 -0.555) 19.342 43.951 ( -4.311 -0.886 0.886) 4.490 45.056 ( -2.389 -1.402 0.758) 2.871 45.181 ( -2.665 -9.064 -0.903) 9.490 45.470 ( -10.601 -2.324 2.441) 11.124 45.679 ( -8.372 -6.562 -2.814) 11.003 57.289 ( 43.216 20.900 -0.338) 48.005 58.048 ( 10.865 5.123 2.368) 12.243 59.963 ( 14.148 19.429 20.808) 31.791 61.495 ( -9.814 49.600 -18.458) 53.826 64.887 ( -11.888 -25.481 -2.212) 28.204 65.554 ( -8.132 16.284 -5.256) 18.945 70.581 ( -5.078 -28.096 7.935) 29.634 72.539 ( -0.267 -10.108 -16.822) 19.627 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -3.090 -0.718 4.341) 5.376 2.185 ( 3.357 -2.522 3.450) 5.434 2.406 ( 7.640 4.773 4.950) 10.279 2.661 ( -4.668 3.639 -1.176) 6.035 2.808 ( -8.539 -2.202 -6.339) 10.860 2.956 ( 4.927 -1.297 -0.788) 5.156 3.266 ( -1.014 -8.190 3.263) 8.875 3.647 ( 1.913 -1.517 -1.610) 2.924 3.912 ( 3.590 2.105 0.169) 4.166 3.958 ( -2.784 2.312 -0.036) 3.619 4.269 ( -1.400 5.271 -0.896) 5.527 4.379 ( 0.232 -0.040 -3.200) 3.209 4.540 ( 1.008 -0.397 2.318) 2.558 4.634 ( -1.125 -1.459 1.701) 2.507 4.932 ( -2.071 -1.000 0.779) 2.428 5.159 ( 2.242 9.768 -2.539) 10.338 5.651 ( -1.764 -3.664 2.325) 4.684 5.981 ( 0.369 2.235 -1.950) 2.989 6.022 ( -0.183 6.844 1.120) 6.937 6.073 ( 1.110 1.897 0.912) 2.379 6.158 ( -0.122 -1.107 -1.331) 1.735 6.534 ( 3.367 3.203 -4.283) 6.320 7.149 ( -4.088 4.196 4.993) 7.697 7.359 ( 6.128 13.755 2.218) 15.221 7.544 ( -20.427 17.387 -1.826) 26.887 7.589 ( 16.114 5.088 -1.589) 16.973 7.885 ( -0.758 6.320 4.809) 7.978 8.542 ( 0.134 12.363 -4.997) 13.336 9.266 ( 0.646 -21.078 1.275) 21.127 9.365 ( -0.250 -17.984 -0.394) 17.990 10.362 ( 2.180 -8.146 1.163) 8.513 10.559 ( -2.383 -18.329 -1.515) 18.546 14.370 ( 1.420 7.946 2.431) 8.430 14.918 ( -1.077 19.176 -4.724) 19.779 15.201 ( -2.013 8.504 2.956) 9.225 15.643 ( 2.195 8.615 -2.864) 9.340 27.021 ( -0.289 0.236 0.275) 0.464 27.029 ( 0.232 0.421 0.088) 0.489 27.108 ( 0.144 -0.593 -0.146) 0.627 27.130 ( 0.035 0.935 -0.385) 1.012 27.424 ( -0.381 -1.475 0.531) 1.613 27.494 ( 0.345 -1.415 -0.501) 1.540 33.515 ( 0.247 2.967 0.976) 3.133 33.813 ( -0.689 -0.442 -5.181) 5.246 34.293 ( 1.266 -0.232 6.816) 6.937 34.840 ( -0.777 -0.753 -3.026) 3.214 35.823 ( 0.317 1.341 1.323) 1.910 35.998 ( -0.148 0.784 -1.217) 1.455 36.787 ( 0.103 -0.926 1.754) 1.986 37.008 ( -0.159 -2.691 -1.503) 3.086 43.191 ( -1.054 11.184 0.421) 11.242 43.286 ( 2.162 8.128 -1.185) 8.494 43.656 ( -2.927 12.570 1.723) 13.020 43.812 ( 2.237 5.164 -0.799) 5.684 45.135 ( -0.414 -7.532 1.526) 7.696 45.360 ( 2.595 -9.196 -2.875) 9.978 45.479 ( -5.167 -10.979 2.982) 12.495 45.755 ( 2.721 -9.361 -2.010) 9.953 57.478 ( 2.815 13.002 1.337) 13.370 57.539 ( -3.452 36.855 1.302) 37.039 59.576 ( -9.474 38.234 6.969) 40.002 60.455 ( 10.091 77.256 -4.964) 78.070 65.176 ( 4.201 9.525 -1.658) 10.542 65.405 ( 0.315 -32.903 -2.447) 32.996 71.101 ( 0.647 -35.392 7.355) 36.154 72.721 ( -0.456 -15.811 -16.588) 22.921 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -6.478 -0.459 1.837) 6.749 2.261 ( 4.484 2.707 4.101) 6.652 2.468 ( 7.861 0.022 8.552) 11.616 2.525 ( -5.166 5.874 -2.496) 8.211 2.675 ( -9.372 2.787 -5.387) 11.164 3.069 ( 5.558 -3.812 -2.880) 7.329 3.369 ( -3.864 -7.044 1.083) 8.107 3.716 ( 6.627 0.423 1.549) 6.819 3.902 ( -1.601 1.540 -0.758) 2.347 3.919 ( 1.671 0.394 -2.207) 2.796 4.131 ( -5.110 6.041 1.515) 8.056 4.388 ( -0.791 -0.680 -3.802) 3.943 4.566 ( 0.689 -0.635 1.774) 2.007 4.646 ( -0.063 -0.463 1.300) 1.381 4.873 ( -5.772 7.612 -2.009) 9.762 4.998 ( 0.178 5.974 0.935) 6.050 5.686 ( -5.587 -0.771 -0.471) 5.660 5.798 ( -4.541 3.795 1.930) 6.224 5.937 ( -4.551 4.873 1.023) 6.746 6.088 ( 4.760 2.238 0.670) 5.302 6.161 ( 1.096 3.356 -1.349) 3.779 6.527 ( 3.495 6.213 -2.939) 7.711 6.860 ( -19.124 12.897 1.032) 23.090 7.084 ( 3.788 4.693 3.127) 6.793 7.440 ( 12.461 7.485 -0.788) 14.557 7.687 ( 16.789 7.949 0.389) 18.580 7.778 ( -3.244 4.359 2.297) 5.900 8.335 ( 1.019 12.413 -3.486) 12.933 9.314 ( -25.263 -20.290 -0.031) 32.402 9.957 ( 24.860 -19.107 -0.174) 31.355 10.458 ( -10.953 -12.360 2.394) 16.688 10.900 ( 7.713 -16.850 -2.294) 18.673 13.992 ( -28.442 20.427 -0.010) 35.017 14.709 ( 12.630 15.321 -0.323) 19.858 14.955 ( -7.160 14.189 -0.086) 15.893 15.519 ( 4.741 10.568 -1.922) 11.741 27.014 ( -0.274 0.294 0.130) 0.422 27.027 ( 0.096 0.046 0.296) 0.314 27.086 ( -1.932 0.636 -0.249) 2.049 27.141 ( 2.064 0.339 -0.275) 2.110 27.445 ( -0.774 -1.848 0.341) 2.033 27.537 ( 1.998 -2.049 -0.347) 2.883 33.463 ( -0.364 3.553 1.480) 3.866 33.808 ( -0.243 -0.707 -6.163) 6.208 34.313 ( 0.261 0.397 7.655) 7.670 34.847 ( 0.076 -1.283 -3.507) 3.735 35.795 ( -1.142 1.875 1.557) 2.691 35.987 ( 0.859 0.640 -1.205) 1.613 36.803 ( -0.486 -0.913 2.030) 2.278 37.054 ( 0.739 -2.775 -1.918) 3.453 42.910 ( -10.729 11.847 -0.003) 15.983 43.225 ( 7.285 10.002 -1.832) 12.509 43.297 ( -16.652 10.414 2.218) 19.765 43.851 ( 15.772 7.766 -0.130) 17.581 45.205 ( -7.007 -6.630 1.168) 9.717 45.538 ( 9.588 -5.523 -0.869) 11.099 45.607 ( -10.756 -14.941 -0.071) 18.410 46.036 ( 12.317 -12.152 -0.580) 17.312 56.214 ( -67.154 41.456 0.625) 78.922 57.752 ( 31.246 16.182 5.282) 35.582 58.432 ( -33.823 62.388 -4.052) 71.082 59.492 ( 37.424 76.283 0.415) 84.970 65.069 ( -5.060 -0.948 3.011) 5.964 66.152 ( 23.903 -34.980 -6.048) 42.797 71.646 ( 2.246 -28.083 6.345) 28.878 72.942 ( -0.589 -14.689 -14.574) 20.700 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -3.382 -3.401 -0.227) 4.802 2.204 ( 2.537 11.961 7.032) 14.105 2.305 ( -6.600 11.258 -4.379) 13.765 2.475 ( -12.811 0.117 -4.672) 13.637 2.633 ( 7.125 -1.577 6.943) 10.073 3.184 ( 8.504 -0.835 -2.475) 8.896 3.373 ( -8.980 0.370 -0.470) 9.000 3.671 ( -7.443 4.696 3.618) 9.515 3.819 ( 0.176 5.280 -2.059) 5.670 3.969 ( -1.053 -1.710 -1.636) 2.591 4.064 ( 5.058 -2.728 2.232) 6.165 4.342 ( -1.704 3.256 -4.168) 5.557 4.540 ( -3.017 1.719 -1.333) 3.719 4.646 ( 0.533 1.169 1.230) 1.779 4.710 ( 0.064 2.633 1.236) 2.910 4.989 ( 2.924 0.814 0.857) 3.154 5.537 ( -10.448 3.500 -2.820) 11.374 5.648 ( -15.194 11.916 -0.172) 19.310 5.840 ( 2.124 -1.844 2.739) 3.926 6.067 ( 3.872 5.767 2.566) 7.405 6.143 ( 2.361 0.719 0.620) 2.545 6.338 ( -7.170 4.977 0.971) 8.782 6.772 ( 9.983 2.628 -1.447) 10.424 7.110 ( 11.872 3.949 0.299) 12.515 7.483 ( 10.241 4.439 -1.008) 11.207 7.663 ( 1.027 6.785 4.714) 8.326 7.758 ( 14.132 8.584 -2.434) 16.713 8.181 ( 0.538 7.375 -2.659) 7.858 9.339 ( -24.512 -20.348 -0.199) 31.858 10.421 ( -0.737 -12.845 0.641) 12.882 10.574 ( 1.257 -15.466 1.227) 15.566 11.204 ( 5.505 -11.628 -1.737) 12.982 13.201 ( -34.739 26.515 -0.628) 43.706 14.403 ( -19.672 17.022 3.190) 26.209 14.850 ( 22.283 11.235 -4.350) 25.331 15.429 ( 7.147 9.526 -0.944) 11.946 27.006 ( -0.260 0.300 0.089) 0.407 27.030 ( 0.121 -0.174 0.392) 0.446 27.057 ( -1.144 0.492 -0.182) 1.259 27.156 ( 1.972 0.737 -0.378) 2.139 27.464 ( -1.101 -1.997 0.235) 2.292 27.596 ( 2.058 -2.126 -0.261) 2.970 33.405 ( -0.375 3.289 1.806) 3.771 33.812 ( 0.280 -1.090 -7.071) 7.160 34.309 ( -0.681 1.326 8.023) 8.160 34.870 ( 0.570 -1.650 -3.452) 3.868 35.746 ( -1.873 1.991 1.491) 3.113 35.995 ( 1.848 0.420 -0.948) 2.119 36.809 ( -1.067 -0.633 2.207) 2.532 37.102 ( 1.356 -1.985 -2.203) 3.261 42.613 ( -9.455 9.352 -0.040) 13.299 42.916 ( -14.246 9.684 0.345) 17.229 43.211 ( 8.012 7.145 0.007) 10.735 43.911 ( 16.522 9.290 0.021) 18.955 45.210 ( -7.601 -5.531 0.770) 9.432 45.685 ( -7.621 -10.277 0.565) 12.807 45.737 ( 3.994 -7.212 -1.577) 8.393 46.355 ( 9.657 -10.277 -0.073) 14.102 54.795 ( -56.067 39.305 0.587) 68.475 56.524 ( -57.507 66.348 1.368) 87.812 58.324 ( 39.402 1.969 -2.764) 39.548 58.863 ( 52.332 69.557 1.290) 87.054 65.084 ( -8.695 -10.025 3.708) 13.779 66.937 ( 24.861 -25.854 -10.194) 37.288 72.034 ( 1.037 -17.029 5.847) 18.034 73.097 ( -1.165 -8.162 -11.953) 14.521 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -16.768 17.344 1.756) 24.188 2.071 ( 1.766 -3.851 -1.914) 4.649 2.107 ( 4.041 12.455 3.252) 13.492 2.306 ( -7.088 4.405 -7.006) 10.896 2.718 ( -3.385 -3.871 2.705) 5.810 3.143 ( -9.253 4.214 5.020) 11.339 3.303 ( 13.543 3.954 -0.992) 14.144 3.630 ( -1.381 -2.710 -0.090) 3.043 3.741 ( 0.923 4.911 -2.583) 5.625 3.959 ( -0.663 -0.113 0.959) 1.172 4.208 ( 4.344 -2.360 -1.754) 5.245 4.297 ( 2.209 -0.363 -0.731) 2.355 4.498 ( -2.296 -0.858 -2.806) 3.725 4.607 ( -0.044 4.725 1.528) 4.966 4.715 ( 1.334 -0.410 0.996) 1.714 4.992 ( -0.122 4.314 2.622) 5.050 5.214 ( -13.979 4.024 0.065) 14.547 5.512 ( -3.245 -1.779 -3.767) 5.281 5.889 ( 1.475 -0.630 -1.323) 2.079 6.041 ( 6.995 7.141 6.653) 12.008 6.158 ( -0.435 -0.735 2.336) 2.488 6.232 ( -3.002 2.009 1.949) 4.105 6.848 ( 11.390 4.520 -2.568) 12.520 7.237 ( 17.052 2.636 -2.086) 17.380 7.539 ( 10.088 3.717 -1.083) 10.806 7.586 ( -2.867 2.147 4.200) 5.520 7.757 ( 17.527 15.162 -0.970) 23.196 8.107 ( -0.165 1.947 -2.896) 3.494 9.366 ( -24.126 -19.734 0.001) 31.169 10.466 ( -20.314 -14.021 1.696) 24.741 10.750 ( -2.407 -0.682 -0.663) 2.588 11.470 ( 13.114 -11.367 -0.429) 17.360 12.460 ( -25.526 18.885 0.258) 31.754 13.915 ( -16.136 13.929 1.097) 21.345 14.970 ( 22.142 7.786 -3.796) 23.776 15.383 ( 7.763 7.336 -1.160) 10.743 26.999 ( -0.132 0.227 0.085) 0.276 27.030 ( -0.136 0.331 0.226) 0.423 27.047 ( -0.238 -0.218 0.090) 0.335 27.163 ( 1.847 1.219 -0.507) 2.270 27.482 ( -1.479 -2.082 0.200) 2.562 27.645 ( 1.043 -1.575 -0.241) 1.905 33.362 ( 0.255 2.220 1.843) 2.897 33.827 ( 0.733 -1.454 -7.670) 7.841 34.281 ( -1.193 2.165 7.946) 8.321 34.899 ( 0.511 -1.664 -2.934) 3.412 35.700 ( -1.318 1.492 1.304) 2.380 36.009 ( 1.960 0.649 -0.727) 2.189 36.806 ( -1.275 -0.304 2.253) 2.607 37.137 ( 1.345 -0.665 -2.303) 2.748 42.408 ( -5.172 4.978 -0.026) 7.178 42.659 ( -8.361 5.352 0.502) 9.940 43.203 ( 8.348 6.232 -0.189) 10.419 43.947 ( 16.059 10.944 0.113) 19.433 45.208 ( -7.068 -5.150 0.485) 8.759 45.733 ( -10.240 -9.383 0.391) 13.894 45.862 ( 2.368 -4.020 -1.283) 4.839 46.571 ( 4.026 -6.277 0.173) 7.459 53.780 ( -24.960 23.768 0.323) 34.468 55.026 ( -38.334 43.327 -0.098) 57.851 58.233 ( 34.889 53.756 2.414) 64.131 59.100 ( 54.410 -6.133 -3.987) 54.899 65.176 ( -11.493 -15.960 3.303) 19.943 67.459 ( 14.258 -11.293 -15.635) 23.985 72.230 ( -1.602 -7.066 5.807) 9.285 73.128 ( -1.208 0.136 -10.057) 10.131 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.928 -0.000 6.703) 6.767 2.137 ( -0.483 0.000 3.815) 3.845 2.486 ( 6.573 -0.000 3.732) 7.559 2.724 ( -5.574 0.000 -1.833) 5.868 2.747 ( -1.977 0.000 -7.176) 7.444 2.944 ( 1.278 -0.000 -1.507) 1.976 3.124 ( -1.709 0.000 5.595) 5.850 3.600 ( 0.861 -0.000 -2.822) 2.951 3.948 ( 2.327 -0.000 0.148) 2.332 4.034 ( -1.009 0.000 4.711) 4.818 4.273 ( -0.356 0.000 -6.608) 6.617 4.472 ( -1.049 0.000 -1.585) 1.901 4.535 ( 0.795 -0.000 2.179) 2.319 4.603 ( -1.149 0.000 2.279) 2.552 4.897 ( -1.554 0.000 2.396) 2.856 5.326 ( 2.983 -0.000 -3.403) 4.525 5.585 ( -3.526 0.000 1.320) 3.765 5.975 ( 9.212 -0.000 -5.449) 10.703 6.102 ( -3.118 0.000 1.820) 3.610 6.131 ( 2.255 -0.000 0.119) 2.258 6.147 ( -9.326 0.000 1.964) 9.530 6.597 ( 7.543 -0.000 -4.633) 8.852 7.230 ( -6.920 0.000 3.693) 7.844 7.441 ( 6.636 -0.000 2.994) 7.281 7.737 ( 0.187 -0.000 1.537) 1.548 8.035 ( -1.056 0.000 -0.968) 1.432 8.225 ( -12.164 0.000 0.018) 12.164 8.521 ( 2.493 -0.000 -3.088) 3.969 8.748 ( 11.505 -0.000 3.613) 12.059 9.197 ( -3.055 0.000 -3.859) 4.921 10.178 ( 1.011 -0.000 0.589) 1.170 10.235 ( -2.201 0.000 -0.054) 2.202 14.499 ( 1.872 -0.000 3.727) 4.170 15.247 ( -2.428 0.000 -7.322) 7.714 15.325 ( -1.731 0.000 4.058) 4.412 15.782 ( 2.826 -0.000 -2.653) 3.877 27.025 ( -0.354 0.000 0.296) 0.462 27.042 ( 0.115 -0.000 -0.059) 0.130 27.091 ( 0.651 -0.000 0.114) 0.661 27.145 ( -0.266 0.000 -0.581) 0.639 27.400 ( -0.481 0.000 0.564) 0.741 27.472 ( 0.445 -0.000 -0.501) 0.670 33.568 ( 0.440 -0.000 0.574) 0.723 33.804 ( -1.094 0.000 -4.405) 4.539 34.288 ( 1.779 -0.000 6.469) 6.709 34.828 ( -1.053 0.000 -2.972) 3.153 35.846 ( 0.431 -0.000 1.154) 1.232 36.012 ( -0.237 0.000 -1.241) 1.263 36.771 ( 0.164 -0.000 1.601) 1.609 36.959 ( -0.239 0.000 -1.193) 1.217 43.395 ( -2.304 0.000 0.059) 2.305 43.436 ( 2.828 -0.000 -0.571) 2.885 43.891 ( 4.863 -0.000 0.471) 4.886 43.905 ( -4.990 0.000 0.337) 5.002 45.031 ( -1.108 0.000 0.131) 1.116 45.057 ( 1.695 -0.000 0.038) 1.695 45.357 ( -3.453 0.000 1.261) 3.676 45.598 ( 2.720 -0.000 -2.035) 3.397 57.695 ( 7.774 -0.000 3.763) 8.637 58.212 ( -9.676 0.000 -3.731) 10.370 60.084 ( -16.196 0.000 16.623) 23.209 61.998 ( 24.224 -0.000 -11.136) 26.661 64.576 ( 1.232 -0.000 4.620) 4.782 65.662 ( -1.181 0.000 -11.243) 11.305 70.329 ( 1.855 -0.000 11.677) 11.824 72.409 ( -1.995 0.000 -19.748) 19.849 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -7.357 0.865 6.227) 9.677 2.158 ( -1.267 -3.868 5.056) 6.491 2.548 ( 3.563 1.692 6.106) 7.270 2.652 ( -1.359 2.457 -4.458) 5.269 2.732 ( 0.135 0.210 -5.898) 5.904 2.962 ( 0.613 -1.721 -2.434) 3.044 3.156 ( -0.595 -4.534 4.318) 6.289 3.632 ( 2.230 -2.655 -2.238) 4.127 3.955 ( -0.502 0.653 -1.260) 1.505 4.015 ( 2.627 4.037 5.124) 7.032 4.266 ( -1.942 -0.353 -5.244) 5.603 4.415 ( -1.196 3.634 -2.072) 4.351 4.548 ( 0.566 -0.258 2.624) 2.697 4.609 ( 0.130 -1.165 1.771) 2.124 4.910 ( 1.203 -0.783 0.792) 1.640 5.294 ( -0.201 6.889 -1.665) 7.090 5.583 ( -0.729 -2.923 -0.078) 3.013 5.921 ( -15.444 -2.102 1.151) 15.628 6.032 ( -3.025 6.013 -1.969) 7.014 6.134 ( 4.522 0.932 -0.389) 4.634 6.184 ( 5.554 -1.162 -0.826) 5.735 6.614 ( -0.717 0.428 -1.084) 1.369 7.180 ( 1.009 2.528 0.866) 2.857 7.462 ( -10.710 10.629 4.934) 15.875 7.517 ( -18.490 9.572 1.581) 20.881 7.765 ( -1.132 1.527 -1.841) 2.646 8.140 ( -3.311 -0.927 0.563) 3.484 8.535 ( -0.600 2.910 -3.212) 4.376 9.007 ( 1.310 4.455 0.603) 4.683 9.336 ( 25.050 -17.466 -0.449) 30.541 10.212 ( -3.348 -2.133 0.300) 3.981 10.397 ( 11.960 -13.061 -0.564) 17.719 14.430 ( -8.663 6.912 4.365) 11.911 15.105 ( -5.348 8.148 -5.989) 11.439 15.245 ( -7.339 3.718 1.591) 8.379 15.758 ( -0.136 4.179 -2.260) 4.753 27.020 ( -0.347 0.105 0.133) 0.387 27.036 ( -0.283 0.402 0.102) 0.502 27.093 ( -1.036 -0.127 0.232) 1.069 27.140 ( 0.113 -0.158 -0.623) 0.652 27.408 ( 0.814 -0.495 0.356) 1.017 27.492 ( 2.086 -0.696 -0.341) 2.226 33.554 ( -0.516 1.744 0.966) 2.060 33.788 ( -0.876 -0.425 -4.972) 5.066 34.317 ( 1.129 -0.015 7.376) 7.462 34.818 ( -0.239 -0.478 -3.720) 3.758 35.842 ( -0.377 0.913 1.434) 1.741 36.001 ( -0.672 0.189 -1.410) 1.573 36.780 ( 0.180 -0.432 1.849) 1.907 36.972 ( 0.466 -1.736 -1.490) 2.334 43.257 ( -9.537 8.654 -0.423) 12.885 43.407 ( -3.004 1.306 0.470) 3.310 43.682 ( -13.384 11.931 -0.452) 17.935 43.949 ( 2.206 -2.786 0.848) 3.653 45.049 ( 1.932 -1.872 0.455) 2.728 45.207 ( 4.411 -8.417 -0.004) 9.503 45.397 ( 6.182 -3.008 -0.375) 6.885 45.728 ( 11.608 -5.874 -0.735) 13.031 57.360 ( -45.818 27.974 1.865) 53.715 57.962 ( -7.376 -3.307 -0.392) 8.093 59.689 ( -36.155 15.705 7.917) 40.206 61.884 ( 39.676 61.611 -1.618) 73.299 65.003 ( 20.576 -33.601 2.883) 39.506 65.481 ( 3.416 18.548 -9.534) 21.133 70.643 ( 7.310 -26.438 10.952) 29.536 72.445 ( -2.526 -11.758 -20.911) 24.123 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -10.146 -0.511 4.490) 11.107 2.216 ( -5.702 -6.681 4.473) 9.857 2.488 ( -5.365 3.853 0.230) 6.609 2.623 ( 5.001 6.213 0.291) 7.981 2.716 ( 2.921 2.754 -1.205) 4.192 3.033 ( 2.346 -6.085 -3.290) 7.304 3.240 ( -0.627 -5.520 2.191) 5.972 3.736 ( 3.697 -5.431 -0.924) 6.635 3.906 ( -1.880 3.369 0.194) 3.863 3.994 ( 2.067 4.119 1.413) 4.820 4.156 ( -6.456 5.932 -2.599) 9.145 4.379 ( 0.522 0.412 -2.590) 2.673 4.564 ( 0.067 -0.466 1.452) 1.527 4.644 ( 1.459 -1.359 2.045) 2.856 4.903 ( -2.808 4.110 -2.090) 5.399 5.096 ( -4.582 9.622 1.450) 10.755 5.614 ( -4.044 -1.751 -0.789) 4.477 5.784 ( -5.087 1.690 -0.960) 5.446 5.896 ( -8.246 1.565 1.051) 8.459 6.157 ( 2.125 1.174 0.543) 2.487 6.221 ( 1.683 2.887 -0.486) 3.377 6.606 ( -5.674 4.030 -0.744) 6.999 6.815 ( -18.010 10.327 0.203) 20.762 7.240 ( 8.707 3.234 0.599) 9.307 7.464 ( -6.064 -2.233 5.629) 8.570 7.762 ( -0.124 -0.222 -2.579) 2.592 8.114 ( 0.094 1.710 1.076) 2.022 8.435 ( -3.979 4.940 -4.160) 7.586 8.934 ( 1.854 3.730 0.592) 4.207 9.961 ( 24.945 -18.129 0.227) 30.838 10.209 ( -3.368 -3.485 0.824) 4.916 10.779 ( 12.555 -14.498 -1.018) 19.206 13.998 ( -26.365 21.470 1.885) 34.053 14.859 ( -15.256 10.798 2.064) 18.804 15.111 ( 1.733 4.195 -4.676) 6.517 15.665 ( -0.843 5.519 -1.997) 5.929 27.014 ( -0.341 0.179 -0.020) 0.385 27.027 ( -0.360 0.119 0.344) 0.512 27.072 ( -1.608 0.381 -0.008) 1.653 27.154 ( 0.563 -0.806 -0.406) 1.064 27.428 ( 1.175 -0.331 0.220) 1.240 27.540 ( 2.935 -1.306 -0.257) 3.222 33.508 ( -1.162 2.814 1.438) 3.367 33.781 ( -0.556 -0.796 -5.806) 5.886 34.336 ( 0.292 0.375 8.117) 8.131 34.826 ( 0.506 -1.005 -4.183) 4.332 35.810 ( -1.606 1.878 1.494) 2.888 35.995 ( -0.003 -0.373 -1.288) 1.341 36.790 ( -0.217 -0.447 2.116) 2.173 37.017 ( 1.199 -2.846 -1.858) 3.604 42.953 ( -12.423 11.291 -0.136) 16.788 43.237 ( -18.161 8.627 0.610) 20.115 43.407 ( -0.089 5.931 -0.503) 5.953 44.026 ( 1.807 -3.498 0.506) 3.969 45.092 ( 0.665 -1.245 0.595) 1.532 45.360 ( 2.266 -5.996 -0.078) 6.410 45.577 ( 11.113 -5.041 -1.072) 12.250 46.025 ( 14.876 -9.659 -0.007) 17.737 56.088 ( -62.460 40.832 0.163) 74.623 58.013 ( -8.242 -6.726 7.016) 12.744 58.644 ( -60.407 40.321 -1.441) 72.642 61.200 ( 42.235 78.490 -0.167) 89.132 65.226 ( 7.104 17.292 -4.642) 19.262 65.954 ( 35.339 -36.563 0.404) 50.851 71.229 ( 7.417 -30.960 7.137) 32.626 72.633 ( -2.094 -18.076 -19.266) 26.501 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -8.892 -4.902 1.240) 10.229 2.180 ( -16.737 -1.856 -2.763) 17.065 2.376 ( 0.691 4.768 6.170) 7.828 2.530 ( 2.559 10.548 0.215) 10.857 2.700 ( 0.006 2.220 0.000) 2.220 3.196 ( 4.496 -8.345 -2.252) 9.743 3.296 ( -1.228 -0.355 1.421) 1.911 3.659 ( -13.835 9.127 3.478) 16.935 3.864 ( -1.261 0.403 -1.090) 1.715 3.937 ( 1.608 -0.652 -3.801) 4.178 4.104 ( 5.559 -1.260 1.194) 5.824 4.364 ( -0.225 1.867 -3.315) 3.811 4.537 ( -2.970 2.715 -1.836) 4.423 4.676 ( 1.418 0.638 2.059) 2.580 4.731 ( -3.604 2.903 1.432) 4.844 5.034 ( 2.829 1.381 0.425) 3.176 5.491 ( -11.626 7.920 -2.172) 14.234 5.635 ( -13.427 7.672 0.053) 15.464 5.800 ( -2.435 -2.306 0.451) 3.384 6.138 ( -0.072 0.801 1.785) 1.958 6.182 ( 0.722 1.572 1.186) 2.097 6.342 ( -5.887 4.977 1.692) 7.892 6.831 ( 4.471 -4.740 -1.498) 6.686 7.326 ( 11.577 1.656 1.513) 11.793 7.448 ( -5.971 -4.098 2.835) 7.777 7.743 ( 0.405 2.300 -2.480) 3.406 8.100 ( 0.334 0.503 0.915) 1.096 8.294 ( -3.837 5.511 -3.909) 7.770 8.935 ( 3.140 0.756 0.728) 3.310 10.170 ( -5.236 -3.210 0.772) 6.190 10.521 ( 17.979 -12.575 0.199) 21.941 11.121 ( 10.772 -11.483 -0.875) 15.769 13.219 ( -33.704 27.627 0.398) 43.581 14.403 ( -23.259 15.248 2.220) 27.900 15.134 ( 8.046 1.433 -4.133) 9.158 15.570 ( -1.096 4.596 -1.739) 5.035 27.006 ( -0.355 0.231 -0.014) 0.424 27.027 ( -0.143 -0.350 0.430) 0.572 27.050 ( -0.987 0.315 -0.093) 1.040 27.172 ( 0.432 -0.739 -0.403) 0.946 27.446 ( 1.098 -0.101 0.165) 1.115 27.596 ( 2.665 -1.394 -0.215) 3.016 33.448 ( -1.362 2.938 1.825) 3.717 33.783 ( -0.094 -1.218 -6.663) 6.774 34.336 ( -0.426 1.136 8.369) 8.456 34.848 ( 0.859 -1.407 -4.112) 4.430 35.756 ( -2.050 2.044 1.380) 3.207 36.007 ( 0.577 -0.770 -0.995) 1.384 36.795 ( -0.507 -0.289 2.330) 2.402 37.077 ( 1.521 -2.838 -2.178) 3.888 42.644 ( -10.394 9.518 -0.045) 14.093 42.885 ( -14.807 8.614 0.411) 17.135 43.352 ( 0.450 2.626 -0.227) 2.674 44.099 ( 1.184 -3.144 0.346) 3.377 45.112 ( 0.461 -0.415 0.661) 0.907 45.461 ( 1.898 -3.847 -0.542) 4.324 45.772 ( 8.735 -3.717 -0.690) 9.518 46.335 ( 11.747 -8.249 0.190) 14.355 54.766 ( -49.991 36.607 0.466) 61.963 56.826 ( -67.224 64.760 3.724) 93.417 58.273 ( -15.475 -24.467 -1.165) 28.974 60.530 ( 41.279 68.846 -0.603) 80.276 65.090 ( 7.494 10.730 -0.886) 13.118 66.882 ( 34.087 -25.442 -3.058) 42.645 71.746 ( 4.293 -23.167 3.583) 23.833 72.864 ( -1.571 -16.087 -15.736) 22.558 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -20.009 5.883 -4.605) 21.358 1.924 ( -7.287 -4.420 0.537) 8.539 2.313 ( -3.434 6.602 0.011) 7.441 2.400 ( 6.011 9.239 4.632) 11.956 2.644 ( -4.493 0.677 -1.627) 4.827 3.105 ( -8.983 4.746 2.722) 10.518 3.409 ( 6.192 -6.456 1.639) 9.094 3.573 ( 1.633 -3.495 0.417) 3.880 3.813 ( -0.660 3.619 -2.592) 4.500 3.944 ( -1.435 0.246 -1.038) 1.788 4.240 ( 5.838 -1.939 -0.030) 6.152 4.319 ( 1.341 0.929 -1.747) 2.391 4.463 ( -2.172 0.649 -3.245) 3.958 4.684 ( -1.864 3.397 2.010) 4.365 4.694 ( 0.579 -1.437 1.103) 1.902 5.050 ( 0.321 2.835 1.042) 3.038 5.106 ( -15.648 5.601 1.348) 16.675 5.497 ( 0.090 3.005 -4.216) 5.178 5.838 ( -1.473 -4.657 -0.000) 4.884 6.145 ( -2.543 0.158 2.149) 3.333 6.177 ( 3.016 1.822 4.010) 5.338 6.244 ( -2.253 2.988 2.966) 4.775 6.947 ( 4.849 -2.541 -2.339) 5.953 7.456 ( 3.151 -0.619 -2.376) 3.995 7.460 ( 2.434 -4.632 4.828) 7.120 7.697 ( 1.345 4.120 -1.535) 4.597 8.106 ( -1.009 -1.658 0.394) 1.981 8.170 ( -2.026 4.750 -3.636) 6.315 8.967 ( 2.285 -0.085 0.724) 2.399 10.150 ( -4.664 -1.897 0.880) 5.112 10.741 ( 1.184 -0.336 -0.289) 1.264 11.458 ( 16.073 -12.371 -0.257) 20.284 12.454 ( -26.932 20.125 0.522) 33.625 13.921 ( -17.542 11.951 0.887) 21.245 15.212 ( 7.445 0.229 -2.946) 8.010 15.487 ( -2.497 2.819 -2.149) 4.336 27.000 ( -0.203 0.147 0.074) 0.261 27.033 ( 0.028 -0.271 0.292) 0.400 27.039 ( -0.453 -0.013 -0.003) 0.453 27.184 ( 0.260 -0.355 -0.474) 0.647 27.458 ( 0.664 -0.012 0.156) 0.682 27.641 ( 1.582 -0.895 -0.195) 1.828 33.395 ( -1.029 2.065 1.986) 3.044 33.797 ( 0.420 -1.624 -7.315) 7.505 34.316 ( -0.785 1.961 8.190) 8.458 34.875 ( 0.724 -1.510 -3.586) 3.958 35.709 ( -1.401 1.445 1.281) 2.386 36.024 ( 0.500 -0.647 -0.802) 1.145 36.795 ( -0.512 -0.044 2.429) 2.483 37.129 ( 1.251 -1.828 -2.361) 3.238 42.425 ( -5.795 5.388 -0.032) 7.913 42.640 ( -8.049 4.660 0.442) 9.311 43.325 ( 0.285 1.340 -0.209) 1.385 44.151 ( 0.579 -1.885 0.309) 1.996 45.121 ( 0.456 0.054 0.655) 0.800 45.526 ( 1.214 -2.146 -0.628) 2.544 45.888 ( 4.294 -1.295 -0.473) 4.510 46.546 ( 6.112 -4.380 0.261) 7.524 53.847 ( -23.924 21.212 0.331) 31.975 55.192 ( -49.717 43.783 0.500) 66.249 58.515 ( -14.920 -27.185 0.937) 31.025 60.009 ( 30.525 50.180 -1.136) 58.746 65.047 ( 4.680 4.524 1.506) 6.682 67.498 ( 22.087 -9.360 -8.243) 25.365 72.064 ( 0.338 -13.104 2.061) 13.270 73.029 ( -0.820 -8.877 -12.069) 15.004 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -13.046 0.000 5.983) 14.352 2.082 ( -5.838 0.000 6.436) 8.689 2.542 ( -3.957 0.000 -1.008) 4.083 2.729 ( 8.193 -0.000 0.693) 8.223 2.753 ( 2.407 -0.000 -4.294) 4.923 2.927 ( -2.375 0.000 -2.322) 3.321 3.132 ( 1.550 -0.000 4.100) 4.383 3.628 ( 1.789 -0.000 -1.772) 2.518 3.951 ( -0.682 0.000 -1.286) 1.456 4.098 ( 2.799 -0.000 7.008) 7.547 4.228 ( -2.329 0.000 -6.839) 7.224 4.425 ( -1.307 0.000 -3.406) 3.648 4.552 ( -0.106 0.000 3.354) 3.355 4.609 ( 1.068 -0.000 1.446) 1.798 4.941 ( 3.945 -0.000 0.626) 3.995 5.353 ( -1.493 0.000 -0.236) 1.512 5.564 ( 1.860 -0.000 -3.291) 3.780 5.677 ( -19.778 0.000 2.297) 19.911 6.064 ( -2.134 0.000 -1.847) 2.823 6.164 ( -0.750 0.000 1.500) 1.677 6.263 ( 8.827 -0.000 -3.883) 9.644 6.514 ( -11.524 0.000 2.040) 11.703 7.257 ( 6.091 -0.000 -2.876) 6.736 7.405 ( -14.310 0.000 8.006) 16.397 7.501 ( -29.486 0.000 -2.529) 29.594 7.515 ( -17.779 0.000 4.600) 18.364 7.845 ( -5.509 0.000 -3.487) 6.520 8.661 ( -4.833 0.000 -1.861) 5.179 9.308 ( 18.719 -0.000 -5.139) 19.412 9.405 ( 30.817 -0.000 5.251) 31.262 10.349 ( 12.510 -0.000 1.337) 12.581 10.351 ( 10.909 -0.000 -1.782) 11.054 14.385 ( -12.829 0.000 6.897) 14.566 15.043 ( -12.221 0.000 -9.003) 15.179 15.139 ( -14.240 0.000 2.492) 14.456 15.762 ( -3.677 0.000 -3.272) 4.923 27.016 ( -0.403 0.000 0.031) 0.404 27.032 ( -0.786 0.000 0.004) 0.786 27.080 ( -1.387 0.000 0.683) 1.546 27.132 ( -0.455 0.000 -0.811) 0.930 27.427 ( 2.401 -0.000 0.250) 2.414 27.518 ( 3.146 -0.000 -0.311) 3.161 33.558 ( -1.437 0.000 1.201) 1.873 33.767 ( -0.722 0.000 -5.319) 5.368 34.340 ( 0.492 -0.000 8.284) 8.299 34.810 ( 0.518 -0.000 -4.492) 4.522 35.846 ( -0.819 0.000 1.684) 1.872 35.984 ( -1.636 0.000 -1.635) 2.313 36.784 ( 0.443 -0.000 2.023) 2.071 36.963 ( 0.959 -0.000 -1.626) 1.888 43.249 ( -8.909 0.000 -2.144) 9.163 43.257 ( -15.422 0.000 1.912) 15.540 43.732 ( -15.617 0.000 4.490) 16.250 43.734 ( -8.908 0.000 -3.797) 9.684 45.103 ( 7.322 -0.000 -1.086) 7.402 45.276 ( 12.450 -0.000 3.519) 12.938 45.490 ( 14.465 -0.000 -3.332) 14.844 45.839 ( 15.165 -0.000 0.274) 15.167 57.265 ( -56.292 0.000 -7.530) 56.793 57.303 ( -39.697 0.000 8.368) 40.570 59.347 ( -46.414 0.000 10.595) 47.608 63.084 ( 56.489 -0.000 -0.564) 56.492 64.911 ( 23.186 -0.000 4.148) 23.554 65.674 ( 4.971 -0.000 -16.222) 16.966 70.573 ( 13.977 -0.000 13.138) 19.182 72.270 ( -3.692 0.000 -24.203) 24.483 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -15.727 -0.811 5.285) 16.611 2.029 ( -10.929 -3.889 5.571) 12.869 2.486 ( -2.400 1.509 -2.396) 3.712 2.744 ( -2.588 0.703 -3.388) 4.321 2.791 ( 6.586 4.901 0.980) 8.267 2.943 ( -0.157 -5.420 0.642) 5.460 3.198 ( 4.203 -2.922 2.353) 5.634 3.680 ( 1.232 -4.271 -0.777) 4.512 3.926 ( -1.796 1.913 -0.151) 2.628 4.086 ( -1.229 5.256 3.634) 6.507 4.156 ( -3.861 2.814 -5.600) 7.361 4.397 ( 0.481 1.136 -3.078) 3.316 4.558 ( -0.385 -0.269 2.542) 2.585 4.643 ( 1.978 -1.652 1.800) 3.144 4.941 ( -2.762 5.238 -1.332) 6.070 5.199 ( -4.837 9.599 2.245) 10.981 5.500 ( -8.026 -4.701 -0.840) 9.339 5.676 ( -2.159 -8.127 -1.401) 8.524 5.900 ( -8.478 11.372 -1.022) 14.221 6.169 ( -0.936 -1.509 0.645) 1.889 6.286 ( -0.133 3.853 0.519) 3.890 6.495 ( -6.680 -6.970 -0.909) 9.697 6.795 ( -21.114 16.924 -1.126) 27.082 7.314 ( -11.695 -2.726 9.272) 15.171 7.376 ( 8.188 -0.213 -3.498) 8.906 7.544 ( -23.752 -20.124 1.865) 31.187 7.815 ( -4.163 -1.972 -3.165) 5.589 8.509 ( -9.805 4.496 -2.161) 11.001 9.354 ( 26.183 18.156 -0.778) 31.871 9.988 ( 25.672 -16.657 1.640) 30.647 10.335 ( 13.935 9.154 -0.230) 16.674 10.724 ( 15.116 -13.260 -0.607) 20.117 14.030 ( -24.843 19.120 5.435) 31.817 14.785 ( -20.714 7.616 -0.255) 22.071 15.023 ( -10.784 -7.127 -4.525) 13.696 15.679 ( -5.541 1.953 -4.699) 7.523 27.011 ( -0.466 0.046 -0.064) 0.473 27.022 ( -0.740 0.017 0.120) 0.750 27.060 ( -1.436 0.297 0.464) 1.538 27.135 ( -0.403 -1.065 -0.562) 1.270 27.457 ( 2.903 0.403 0.219) 2.939 27.564 ( 3.565 -0.555 -0.348) 3.624 33.526 ( -2.086 1.528 1.579) 3.029 33.755 ( -0.429 -0.488 -5.999) 6.034 34.353 ( -0.336 0.119 9.051) 9.058 34.817 ( 1.165 -0.490 -5.005) 5.162 35.820 ( -1.752 1.626 1.723) 2.947 35.970 ( -1.493 -1.194 -1.537) 2.453 36.792 ( 0.367 0.084 2.209) 2.241 36.991 ( 1.397 -1.919 -1.853) 3.011 42.961 ( -14.248 9.133 0.415) 16.929 43.132 ( -15.157 3.103 -1.048) 15.507 43.413 ( -11.327 5.291 1.195) 12.559 43.789 ( -13.065 -13.639 -0.122) 18.888 45.174 ( 8.405 3.311 -0.834) 9.072 45.441 ( 12.173 -1.018 3.471) 12.699 45.686 ( 17.015 0.306 -3.793) 17.435 46.087 ( 16.279 -6.180 0.676) 17.426 56.003 ( -59.182 40.147 -0.695) 71.517 57.274 ( -47.359 -36.607 1.037) 59.867 58.489 ( -63.978 29.875 12.904) 71.779 62.943 ( 41.376 76.701 -5.098) 87.298 65.587 ( 10.626 10.124 -16.519) 22.097 65.776 ( 36.967 -41.659 3.817) 55.827 70.949 ( 14.366 -19.942 9.568) 26.374 72.302 ( -3.251 -13.743 -23.975) 27.826 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -15.070 -5.072 3.422) 16.265 1.939 ( -15.885 -3.618 2.306) 16.454 2.436 ( -0.937 2.426 0.601) 2.669 2.653 ( -7.012 3.269 -0.307) 7.743 2.755 ( 2.961 5.709 -3.095) 7.137 3.066 ( 0.024 -8.230 1.282) 8.329 3.319 ( 6.347 -2.438 2.216) 7.151 3.636 ( -16.131 9.990 2.346) 19.119 3.821 ( -2.376 -1.543 0.658) 2.908 3.966 ( 0.519 2.436 -3.742) 4.495 4.141 ( 3.279 -1.197 -1.725) 3.893 4.388 ( 0.766 1.208 -3.022) 3.344 4.542 ( -1.989 1.724 0.112) 2.635 4.701 ( 1.933 -0.817 2.501) 3.264 4.731 ( -6.719 5.089 1.301) 8.529 5.116 ( 3.650 3.912 0.199) 5.354 5.484 ( -19.511 13.613 -0.757) 23.803 5.534 ( -8.110 -5.966 0.015) 10.068 5.742 ( -1.901 -0.660 -1.956) 2.806 6.133 ( -5.648 3.546 1.782) 6.903 6.199 ( -0.321 -0.167 0.936) 1.003 6.349 ( -4.412 3.023 0.769) 5.403 6.747 ( 1.138 -9.125 -1.961) 9.402 7.262 ( -8.834 -4.749 6.968) 12.213 7.467 ( 7.155 -0.237 -2.644) 7.631 7.587 ( -23.390 -20.576 1.480) 31.187 7.784 ( -4.867 -1.345 -2.230) 5.519 8.317 ( -9.456 4.078 -2.479) 10.592 9.379 ( 26.868 18.992 0.186) 32.903 10.289 ( 14.584 7.480 0.996) 16.421 10.571 ( 20.063 -8.993 -0.157) 21.987 11.088 ( 13.895 -11.095 -0.689) 17.794 13.270 ( -33.604 29.244 2.254) 44.604 14.336 ( -25.156 12.510 1.543) 28.137 15.058 ( -7.576 -10.222 -3.553) 13.210 15.567 ( -6.722 1.890 -5.737) 9.037 27.005 ( -0.306 0.085 -0.202) 0.376 27.017 ( -0.673 -0.369 0.530) 0.932 27.044 ( -0.689 0.132 0.035) 0.702 27.149 ( -0.682 -1.444 -0.406) 1.647 27.481 ( 2.890 1.020 0.184) 3.070 27.614 ( 3.151 -0.655 -0.333) 3.236 33.470 ( -2.432 2.283 1.983) 3.881 33.754 ( 0.039 -0.987 -6.798) 6.869 34.355 ( -0.937 0.477 9.311) 9.371 34.836 ( 1.419 -0.855 -5.019) 5.286 35.767 ( -2.159 2.126 1.523) 3.391 35.979 ( -1.075 -1.995 -1.135) 2.535 36.797 ( 0.277 0.205 2.371) 2.396 37.046 ( 1.506 -2.915 -2.107) 3.900 42.660 ( -11.430 8.620 0.359) 14.321 42.842 ( -13.770 7.716 -0.288) 15.787 43.294 ( -8.783 -2.507 0.405) 9.143 43.852 ( -13.719 -14.400 0.010) 19.890 45.205 ( 7.958 4.773 -0.133) 9.280 45.588 ( 12.538 2.060 1.889) 12.845 45.852 ( 12.692 0.974 -2.554) 12.983 46.374 ( 13.453 -6.180 0.531) 14.814 54.746 ( -47.341 34.219 0.176) 58.413 56.907 ( -79.611 48.479 2.109) 93.234 57.361 ( -43.643 -34.374 7.730) 56.090 62.036 ( 19.927 77.185 -8.689) 80.188 65.461 ( 12.804 16.594 -10.530) 23.456 66.899 ( 41.363 -31.373 0.544) 51.918 71.461 ( 9.877 -22.420 2.882) 24.668 72.521 ( -1.624 -20.330 -19.969) 28.543 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -15.837 -6.174 -1.579) 17.071 1.755 ( -16.760 -0.600 3.289) 17.090 2.362 ( -4.039 4.510 -1.882) 6.340 2.507 ( -5.341 2.402 4.812) 7.580 2.679 ( 0.841 5.757 -7.639) 9.602 3.111 ( -3.424 5.255 2.763) 6.854 3.282 ( -6.401 -6.752 5.318) 10.717 3.553 ( 4.640 -5.211 -0.751) 7.017 3.812 ( -3.419 -0.259 -0.574) 3.477 3.948 ( -0.141 1.794 -2.163) 2.813 4.256 ( 5.659 -4.959 -0.837) 7.570 4.354 ( 0.020 2.534 -3.332) 4.186 4.464 ( -2.032 2.957 -0.551) 3.629 4.627 ( -6.559 0.978 0.954) 6.700 4.742 ( 2.139 0.356 2.951) 3.662 5.031 ( -15.586 7.956 2.261) 17.644 5.108 ( 2.746 2.142 -1.039) 3.634 5.561 ( 1.032 0.761 -3.715) 3.930 5.719 ( -4.513 -4.271 0.172) 6.216 6.076 ( -5.673 -2.223 1.711) 6.329 6.212 ( 0.649 0.217 1.491) 1.641 6.286 ( -0.609 2.951 3.922) 4.946 6.888 ( -1.024 -7.811 -1.823) 8.086 7.274 ( -5.921 -6.683 1.985) 9.147 7.545 ( 4.177 -0.499 -0.124) 4.209 7.636 ( -22.293 -19.880 1.241) 29.896 7.732 ( -6.163 -0.906 -0.807) 6.281 8.165 ( -6.197 2.138 -3.066) 7.237 9.392 ( 25.399 19.051 0.519) 31.754 10.339 ( 19.116 11.019 0.914) 22.083 10.764 ( 0.917 1.999 -0.613) 2.283 11.459 ( 17.565 -13.024 -0.259) 21.868 12.460 ( -28.142 22.262 1.012) 35.897 13.876 ( -18.474 9.644 0.741) 20.853 15.123 ( -8.274 -10.105 -1.306) 13.125 15.435 ( -9.842 1.068 -6.780) 11.999 27.000 ( -0.041 0.158 -0.042) 0.169 27.019 ( -0.694 -0.786 0.556) 1.187 27.039 ( 0.030 0.045 -0.201) 0.208 27.161 ( -1.076 -1.436 -0.400) 1.839 27.494 ( 2.543 1.581 0.154) 2.998 27.653 ( 2.080 -0.227 -0.278) 2.110 33.409 ( -2.428 1.879 2.249) 3.806 33.767 ( 0.661 -1.463 -7.510) 7.679 34.344 ( -1.150 1.146 9.098) 9.241 34.860 ( 1.258 -1.029 -4.567) 4.847 35.716 ( -1.523 1.492 1.473) 2.591 35.997 ( -1.117 -1.987 -0.905) 2.452 36.801 ( 0.340 0.302 2.460) 2.502 37.104 ( 1.127 -2.614 -2.320) 3.672 42.438 ( -6.429 5.381 0.267) 8.388 42.617 ( -7.363 4.045 0.087) 8.401 43.247 ( -8.327 -4.081 0.095) 9.274 43.911 ( -14.167 -13.992 0.167) 19.913 45.218 ( 7.598 5.271 0.324) 9.253 45.680 ( 11.427 4.663 0.864) 12.372 45.939 ( 7.042 2.653 -1.605) 7.695 46.578 ( 8.071 -2.609 0.386) 8.491 53.873 ( -25.660 19.569 0.355) 32.272 55.212 ( -62.297 42.942 1.595) 75.680 57.513 ( -43.707 -47.027 2.796) 64.263 61.022 ( -7.155 58.250 -7.302) 59.140 65.348 ( 13.373 16.077 -4.907) 21.480 67.659 ( 30.180 -9.187 -4.659) 31.890 71.854 ( 4.197 -15.974 -1.097) 16.553 72.795 ( 0.160 -17.361 -14.292) 22.488 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -18.980 0.000 6.281) 19.993 1.854 ( -14.867 0.000 5.675) 15.913 2.469 ( -1.603 0.000 -3.415) 3.773 2.668 ( -7.454 0.000 -8.140) 11.037 2.829 ( -8.715 0.000 4.524) 9.819 2.975 ( 11.533 -0.000 3.410) 12.027 3.246 ( 6.662 -0.000 1.706) 6.877 3.646 ( -0.830 0.000 -0.153) 0.844 3.918 ( -3.395 0.000 0.971) 3.531 4.119 ( -4.377 0.000 -6.303) 7.674 4.119 ( -3.053 0.000 2.612) 4.018 4.401 ( -0.140 0.000 -4.534) 4.537 4.559 ( -0.179 0.000 4.406) 4.409 4.652 ( 1.823 -0.000 0.981) 2.070 4.965 ( -5.724 0.000 0.615) 5.757 5.188 ( -13.972 0.000 -1.245) 14.027 5.330 ( -4.517 0.000 4.573) 6.428 5.560 ( -4.929 0.000 -5.491) 7.379 5.970 ( -6.962 0.000 -1.960) 7.232 6.061 ( -5.109 0.000 0.906) 5.189 6.292 ( -7.205 0.000 2.489) 7.623 6.379 ( -0.068 0.000 -1.053) 1.055 6.756 ( -23.122 0.000 -3.761) 23.426 6.926 ( -15.711 0.000 0.713) 15.727 7.231 ( -10.151 0.000 11.026) 14.987 7.466 ( 7.000 -0.000 -3.612) 7.877 7.776 ( -2.447 0.000 -1.722) 2.992 8.386 ( -13.070 0.000 -2.106) 13.238 9.905 ( 28.240 -0.000 -3.519) 28.458 10.100 ( 24.640 -0.000 4.666) 25.078 10.685 ( 16.540 -0.000 -1.024) 16.571 10.761 ( 21.100 -0.000 -0.226) 21.101 13.918 ( -28.418 0.000 10.342) 30.241 14.625 ( -19.641 0.000 -8.958) 21.587 14.693 ( -22.349 0.000 0.842) 22.365 15.593 ( -8.856 0.000 -8.945) 12.588 27.004 ( -0.776 0.000 0.198) 0.801 27.013 ( -0.600 0.000 -0.241) 0.647 27.047 ( -1.140 0.000 0.541) 1.262 27.120 ( -0.383 0.000 -0.495) 0.626 27.500 ( 3.299 -0.000 0.312) 3.314 27.604 ( 3.821 -0.000 -0.536) 3.858 33.512 ( -2.619 0.000 1.834) 3.197 33.738 ( -0.101 0.000 -6.549) 6.549 34.358 ( -1.335 0.000 9.943) 10.033 34.823 ( 1.772 -0.000 -5.608) 5.881 35.816 ( -2.131 0.000 2.258) 3.105 35.931 ( -2.124 0.000 -1.931) 2.870 36.804 ( 0.602 -0.000 2.303) 2.380 36.989 ( 1.463 -0.000 -1.922) 2.415 42.855 ( -16.781 0.000 1.654) 16.862 42.990 ( -11.393 0.000 -3.185) 11.830 43.326 ( -17.562 0.000 5.186) 18.312 43.451 ( -12.862 0.000 -3.141) 13.240 45.330 ( 10.564 -0.000 -2.456) 10.846 45.559 ( 10.157 -0.000 5.042) 11.340 45.945 ( 21.591 -0.000 -4.548) 22.065 46.228 ( 15.795 -0.000 1.520) 15.868 55.838 ( -57.028 0.000 -4.967) 57.244 56.096 ( -57.298 0.000 3.640) 57.413 57.955 ( -72.862 0.000 21.622) 76.002 64.273 ( 37.580 -0.000 -28.960) 47.444 65.583 ( 29.700 -0.000 0.349) 29.702 65.805 ( 12.222 -0.000 -12.354) 17.378 71.007 ( 17.873 -0.000 10.801) 20.883 72.103 ( -3.239 0.000 -25.790) 25.992 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -18.802 -3.687 7.094) 20.431 1.688 ( -18.288 -2.946 4.727) 19.118 2.436 ( -2.518 0.780 -3.075) 4.050 2.562 ( -9.026 -0.259 -7.584) 11.792 2.707 ( -15.250 -3.010 2.699) 15.777 3.099 ( 11.078 2.766 3.581) 11.966 3.356 ( 6.552 -3.381 1.271) 7.482 3.598 ( -11.503 5.908 1.094) 12.977 3.781 ( -7.799 3.775 3.351) 9.290 4.004 ( -0.466 2.877 -3.677) 4.692 4.130 ( 0.147 -2.665 -2.997) 4.013 4.395 ( -0.504 -0.383 -4.114) 4.162 4.549 ( -1.292 1.371 3.373) 3.864 4.695 ( 1.134 -2.526 1.763) 3.282 4.748 ( -8.335 8.105 1.550) 11.729 5.150 ( -12.723 -9.611 0.018) 15.945 5.288 ( -2.905 0.386 0.161) 2.935 5.413 ( -18.999 6.054 -2.484) 20.094 5.727 ( -6.402 4.552 -1.639) 8.025 6.143 ( -1.667 -3.920 0.635) 4.306 6.165 ( -1.737 3.354 0.178) 3.781 6.333 ( -3.466 1.336 0.880) 3.817 6.598 ( -4.691 -6.650 -0.781) 8.176 6.961 ( -13.840 -16.632 0.096) 21.637 7.160 ( -6.296 -1.541 7.021) 9.555 7.532 ( 4.018 -0.427 -2.345) 4.672 7.738 ( -3.663 0.031 -0.445) 3.690 8.225 ( -10.517 1.263 -2.375) 10.855 10.009 ( 26.340 18.635 -0.276) 32.267 10.523 ( 18.912 -7.560 1.826) 20.449 10.809 ( 22.638 6.127 -0.757) 23.465 11.113 ( 17.274 -8.122 -0.938) 19.111 13.316 ( -35.253 25.548 6.339) 43.996 14.209 ( -24.978 10.070 -0.576) 26.938 14.659 ( -18.380 -17.979 -3.581) 25.959 15.454 ( -11.664 -0.045 -12.912) 17.400 26.996 ( -0.862 -0.378 0.374) 1.013 27.007 ( -0.324 0.070 -0.171) 0.373 27.038 ( -0.354 -0.018 0.091) 0.366 27.121 ( -0.621 -0.782 -0.289) 1.040 27.534 ( 3.195 0.691 0.342) 3.287 27.648 ( 3.415 -0.054 -0.608) 3.469 33.470 ( -2.864 1.455 2.168) 3.876 33.733 ( 0.406 -0.575 -7.261) 7.295 34.354 ( -2.058 -0.189 10.333) 10.538 34.840 ( 2.039 -0.266 -5.746) 6.103 35.774 ( -2.452 1.800 2.120) 3.708 35.923 ( -1.840 -2.161 -1.524) 3.222 36.812 ( 0.614 0.327 2.358) 2.458 37.019 ( 1.348 -1.961 -2.026) 3.125 42.626 ( -12.875 4.799 1.178) 13.791 42.796 ( -12.027 5.851 -1.746) 13.488 43.124 ( -12.380 -1.361 1.966) 12.609 43.434 ( -14.988 -13.742 -0.648) 20.344 45.402 ( 9.828 4.876 -1.721) 11.105 45.700 ( 7.798 -1.749 3.599) 8.765 46.129 ( 19.348 6.555 -3.351) 20.702 46.455 ( 13.507 -4.427 1.093) 14.256 54.716 ( -46.107 32.779 -0.422) 56.573 55.938 ( -59.590 -37.174 -3.758) 70.335 56.811 ( -77.973 28.376 23.573) 86.259 63.454 ( -1.838 91.266 -42.635) 100.750 65.797 ( 13.340 9.153 -15.925) 22.701 66.762 ( 41.926 -53.101 -0.452) 67.659 71.334 ( 14.793 -12.045 5.373) 19.818 72.169 ( -1.220 -15.868 -22.268) 27.371 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -16.299 -8.103 5.394) 18.985 1.505 ( -21.021 -2.852 5.737) 21.976 2.334 ( -9.014 2.584 -7.173) 11.806 2.453 ( -5.942 -0.344 -0.443) 5.968 2.609 ( -13.692 -7.127 -3.468) 15.820 3.144 ( -1.397 2.741 3.343) 4.543 3.254 ( -2.348 10.457 5.315) 11.963 3.507 ( 3.228 -5.978 -1.374) 6.932 3.744 ( -4.319 -1.833 0.729) 4.749 3.976 ( 0.140 1.692 -1.749) 2.438 4.227 ( 5.024 -6.104 -1.964) 8.146 4.361 ( -4.549 1.478 -4.550) 6.602 4.493 ( -1.616 3.015 2.445) 4.204 4.587 ( -5.968 3.015 1.239) 6.800 4.747 ( -0.674 -2.788 2.881) 4.065 4.959 ( -14.718 4.734 2.183) 15.614 5.180 ( -1.346 4.818 -1.688) 5.280 5.333 ( -10.826 -14.557 -1.628) 18.214 5.656 ( -6.966 -2.337 -1.598) 7.520 6.060 ( 2.887 6.160 -0.377) 6.813 6.228 ( 1.517 -0.107 1.011) 1.826 6.308 ( -0.425 -0.666 2.834) 2.942 6.686 ( -6.900 -11.022 0.312) 13.007 7.040 ( -17.358 -14.769 3.139) 23.006 7.170 ( 0.496 -4.290 -0.802) 4.393 7.558 ( -1.675 -0.299 0.087) 1.704 7.687 ( -3.911 0.150 1.171) 4.086 8.116 ( -3.722 0.269 -2.992) 4.783 10.009 ( 24.548 19.462 0.267) 31.328 10.722 ( 10.023 3.195 1.726) 10.660 10.920 ( 15.582 13.507 -1.621) 20.685 11.467 ( 17.985 -12.393 -0.448) 21.846 12.484 ( -30.013 24.116 2.040) 38.555 13.791 ( -18.008 7.389 0.426) 19.469 14.728 ( -18.413 -18.020 -0.838) 25.777 15.257 ( -18.464 -0.050 -15.226) 23.932 26.997 ( -0.971 -0.802 0.652) 1.418 27.004 ( 0.268 0.129 -0.292) 0.417 27.039 ( 0.157 -0.132 -0.187) 0.277 27.125 ( -1.100 -1.046 -0.235) 1.536 27.554 ( 2.855 1.512 0.274) 3.242 27.681 ( 2.426 0.324 -0.512) 2.501 33.408 ( -3.225 2.008 2.503) 4.549 33.745 ( 1.177 -1.165 -7.991) 8.160 34.348 ( -2.107 -0.115 10.130) 10.347 34.860 ( 1.923 -0.377 -5.429) 5.772 35.723 ( -1.846 1.491 2.005) 3.106 35.940 ( -1.689 -2.613 -1.115) 3.305 36.817 ( 0.653 0.405 2.376) 2.497 37.069 ( 0.950 -2.725 -2.193) 3.624 42.434 ( -7.194 3.892 0.958) 8.235 42.591 ( -7.051 3.656 -0.621) 7.967 43.048 ( -10.731 -5.066 0.713) 11.888 43.484 ( -15.337 -15.192 0.116) 21.588 45.427 ( 9.772 6.303 -0.794) 11.655 45.775 ( 1.548 0.114 2.082) 2.597 46.210 ( 16.745 9.638 -2.101) 19.435 46.646 ( 8.677 -1.900 0.566) 8.901 53.860 ( -27.497 19.180 0.496) 33.529 55.043 ( -70.665 34.453 2.072) 78.644 56.189 ( -52.901 -42.357 7.303) 68.161 61.673 ( -53.753 76.077 -36.866) 100.181 65.760 ( 15.311 14.227 -10.108) 23.217 67.850 ( 37.085 -20.298 -9.764) 43.390 71.687 ( 8.427 -13.364 -1.327) 15.855 72.459 ( 1.450 -22.181 -15.486) 27.090 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -19.452 0.000 11.553) 22.624 1.434 ( -21.027 0.000 6.164) 21.912 2.400 ( -3.706 0.000 -4.249) 5.638 2.411 ( -28.258 0.000 4.062) 28.548 2.434 ( -9.406 0.000 -9.122) 13.103 3.292 ( 13.155 -0.000 1.501) 13.241 3.369 ( 0.600 -0.000 1.103) 1.255 3.548 ( -7.426 0.000 -0.423) 7.438 3.721 ( -10.375 0.000 6.392) 12.186 4.010 ( -4.304 0.000 -3.450) 5.516 4.075 ( 0.897 -0.000 -1.310) 1.588 4.346 ( -5.829 0.000 -4.488) 7.356 4.552 ( -1.857 0.000 4.448) 4.820 4.636 ( -9.932 0.000 -3.045) 10.388 4.749 ( -10.201 0.000 1.411) 10.298 4.826 ( -3.548 0.000 4.329) 5.597 5.181 ( -20.492 0.000 -6.532) 21.508 5.377 ( 2.797 -0.000 1.382) 3.120 5.640 ( -18.322 0.000 -1.291) 18.368 6.006 ( -1.754 0.000 0.917) 1.979 6.257 ( 7.760 -0.000 -0.827) 7.804 6.319 ( -1.677 0.000 2.081) 2.673 6.469 ( -3.947 0.000 -2.559) 4.705 6.779 ( -1.114 0.000 5.245) 5.362 7.122 ( -0.464 0.000 2.982) 3.018 7.543 ( -1.236 0.000 -1.673) 2.080 7.690 ( -4.473 0.000 1.013) 4.586 8.121 ( -7.003 0.000 -2.798) 7.541 10.539 ( 23.601 -0.000 -1.229) 23.633 10.596 ( 15.952 -0.000 2.231) 16.107 11.105 ( 17.597 -0.000 1.084) 17.630 11.293 ( 21.636 -0.000 -2.728) 21.807 13.123 ( -38.546 0.000 9.824) 39.779 14.102 ( -20.275 0.000 -8.397) 21.945 14.129 ( -23.810 0.000 0.695) 23.820 15.260 ( -16.206 0.000 -23.209) 28.307 26.981 ( -1.036 0.000 0.652) 1.223 27.007 ( 0.182 -0.000 -0.542) 0.572 27.036 ( 0.017 -0.000 0.012) 0.020 27.108 ( -0.556 0.000 -0.086) 0.562 27.577 ( 2.893 -0.000 0.511) 2.938 27.687 ( 3.189 -0.000 -0.844) 3.299 33.454 ( -2.517 0.000 2.309) 3.416 33.724 ( 0.880 -0.000 -7.859) 7.908 34.336 ( -3.187 0.000 10.935) 11.390 34.856 ( 2.432 -0.000 -5.983) 6.459 35.762 ( -2.824 0.000 3.004) 4.123 35.880 ( -1.410 0.000 -2.003) 2.450 36.825 ( 0.544 -0.000 2.317) 2.379 37.015 ( 1.074 -0.000 -1.940) 2.217 42.510 ( -11.880 0.000 1.494) 11.973 42.709 ( -10.698 0.000 -2.115) 10.905 42.976 ( -12.301 0.000 3.936) 12.915 43.147 ( -11.142 0.000 -1.906) 11.304 45.538 ( 6.752 -0.000 -2.674) 7.262 45.786 ( 7.294 -0.000 3.402) 8.049 46.414 ( 17.708 -0.000 -3.403) 18.032 46.566 ( 11.496 -0.000 1.910) 11.654 54.626 ( -41.747 0.000 -2.408) 41.816 54.775 ( -50.605 0.000 0.664) 50.610 56.115 ( -82.886 0.000 25.485) 86.715 64.171 ( -32.788 0.000 -142.859) 146.573 66.243 ( 24.417 -0.000 -1.475) 24.462 66.355 ( 29.513 -0.000 20.360) 35.855 71.442 ( 15.212 -0.000 7.285) 16.866 71.993 ( 0.746 -0.000 -19.720) 19.734 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -16.401 -6.033 14.230) 22.536 1.199 ( -23.980 -2.248 8.718) 25.614 2.081 ( -33.042 -8.385 4.609) 34.399 2.326 ( -7.313 -1.900 -11.494) 13.755 2.362 ( -5.396 -1.835 -4.023) 6.976 3.209 ( -9.549 11.136 2.947) 14.962 3.412 ( 0.335 2.915 0.551) 2.986 3.458 ( 5.624 -1.591 -2.787) 6.475 3.665 ( -3.607 -2.157 2.480) 4.880 3.956 ( -8.661 -3.017 -0.409) 9.181 4.156 ( -0.963 -6.852 0.903) 6.978 4.259 ( -5.530 -2.057 -5.103) 7.801 4.522 ( -0.988 0.160 0.555) 1.145 4.527 ( -6.409 0.873 3.098) 7.172 4.676 ( -2.894 1.108 2.280) 3.847 4.853 ( -4.094 -3.435 1.599) 5.579 4.983 ( -12.556 -5.362 -2.983) 13.975 5.282 ( -6.767 7.718 -1.689) 10.403 5.479 ( -8.728 -3.728 -0.472) 9.503 6.117 ( -1.099 -11.119 -1.213) 11.239 6.287 ( 2.459 3.123 2.001) 4.450 6.326 ( 9.187 5.302 0.041) 10.607 6.466 ( -3.467 -3.775 -0.938) 5.210 6.824 ( -1.039 -3.114 8.099) 8.739 7.149 ( 2.614 -1.261 -1.762) 3.395 7.495 ( -7.471 -0.588 0.083) 7.495 7.641 ( -3.940 -0.543 2.965) 4.961 8.077 ( -0.372 -1.527 -3.050) 3.431 10.565 ( 19.574 15.940 -0.085) 25.243 10.806 ( 0.116 3.638 0.748) 3.716 11.326 ( 19.691 2.872 0.095) 19.899 11.527 ( 17.740 -4.489 -2.114) 18.421 12.483 ( -31.715 20.428 3.385) 37.876 13.695 ( -15.854 6.673 -0.651) 17.213 14.161 ( -21.024 -21.174 -2.597) 29.952 14.952 ( -28.665 1.535 -32.373) 43.267 26.975 ( -0.861 -0.521 0.661) 1.203 27.010 ( 0.569 0.065 -0.573) 0.810 27.039 ( 0.275 -0.130 -0.101) 0.321 27.103 ( -0.856 -0.294 -0.014) 0.905 27.604 ( 2.413 0.722 0.511) 2.570 27.717 ( 2.418 0.495 -0.816) 2.599 33.409 ( -2.865 2.327 2.495) 4.455 33.734 ( 1.756 -0.867 -8.530) 8.752 34.321 ( -3.292 -1.113 10.808) 11.352 34.876 ( 2.432 0.091 -5.756) 6.250 35.724 ( -2.270 1.173 3.019) 3.955 35.883 ( -0.920 -2.049 -1.558) 2.734 36.833 ( 0.444 0.217 2.250) 2.304 37.039 ( 0.747 -1.868 -1.967) 2.813 42.384 ( -7.397 0.758 1.616) 7.609 42.559 ( -7.073 3.015 -0.716) 7.722 42.870 ( -8.760 -2.331 1.943) 9.271 43.117 ( -10.454 -10.315 -0.246) 14.688 45.589 ( 5.521 1.413 -2.265) 6.133 45.822 ( 1.425 4.288 1.824) 4.873 46.535 ( 14.413 6.900 -1.775) 16.078 46.718 ( 7.910 -1.988 0.835) 8.198 53.835 ( -28.120 19.938 0.794) 34.480 54.534 ( -54.403 -4.965 -0.722) 54.634 55.113 ( -62.711 -5.058 14.581) 64.582 62.022 (-111.852 102.620 -137.887) 205.072 66.149 ( 16.656 14.574 -1.499) 22.183 67.685 ( 35.439 -58.211 -19.859) 70.985 71.654 ( 10.698 -5.249 2.789) 12.238 72.138 ( 3.455 -16.777 -12.808) 21.388 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -13.817 0.000 22.902) 26.747 0.915 ( -23.994 0.000 12.870) 27.228 1.492 ( -46.666 0.000 13.092) 48.467 2.235 ( -4.058 0.000 -13.662) 14.252 2.273 ( -4.987 0.000 -7.708) 9.181 3.247 ( -8.578 0.000 3.190) 9.152 3.276 ( -11.421 0.000 -1.850) 11.570 3.533 ( -2.107 0.000 -10.353) 10.565 3.615 ( -2.328 0.000 3.081) 3.861 3.680 ( -12.476 0.000 3.236) 12.889 4.177 ( 9.142 -0.000 4.983) 10.412 4.215 ( 2.613 -0.000 -4.306) 5.037 4.495 ( -0.081 0.000 -0.749) 0.753 4.543 ( 1.733 -0.000 6.936) 7.149 4.687 ( -2.069 0.000 3.739) 4.273 4.746 ( -7.062 0.000 -2.514) 7.496 4.802 ( -8.334 0.000 -2.047) 8.582 5.189 ( -14.962 0.000 -1.074) 15.001 5.419 ( -1.838 0.000 -0.359) 1.873 5.977 ( -0.979 0.000 -2.029) 2.253 6.315 ( -0.112 0.000 1.708) 1.712 6.424 ( 1.068 -0.000 -2.254) 2.495 6.570 ( 15.868 -0.000 -0.685) 15.883 6.868 ( 8.200 -0.000 13.740) 16.001 7.178 ( 3.962 -0.000 -3.347) 5.187 7.368 ( -12.320 0.000 0.851) 12.349 7.596 ( -2.486 0.000 6.426) 6.890 8.058 ( 1.305 -0.000 -2.685) 2.986 10.838 ( 1.316 -0.000 -5.774) 5.922 10.883 ( 0.464 -0.000 4.104) 4.130 11.505 ( 16.086 -0.000 1.115) 16.124 11.692 ( 11.635 -0.000 -4.305) 12.405 12.321 ( -24.815 0.000 1.641) 24.869 13.619 ( -17.455 0.000 1.625) 17.531 13.673 ( -13.078 0.000 -11.713) 17.557 14.439 ( -54.213 0.000 -60.134) 80.964 26.964 ( -0.601 0.000 0.663) 0.895 27.018 ( 0.874 -0.000 -0.748) 1.151 27.041 ( 0.340 -0.000 -0.028) 0.341 27.092 ( -0.836 0.000 -0.001) 0.836 27.635 ( 1.737 -0.000 0.690) 1.869 27.746 ( 1.908 -0.000 -0.916) 2.117 33.411 ( -1.803 0.000 1.358) 2.258 33.735 ( 2.230 -0.000 -8.954) 9.227 34.278 ( -4.335 0.000 11.143) 11.956 34.899 ( 2.604 -0.000 -5.560) 6.140 35.717 ( -1.367 0.000 3.771) 4.011 35.856 ( -0.166 0.000 -1.677) 1.685 36.841 ( 0.143 -0.000 2.116) 2.120 37.028 ( 0.560 -0.000 -1.713) 1.802 42.307 ( -5.529 0.000 1.856) 5.833 42.519 ( -3.008 0.000 1.641) 3.427 42.772 ( -5.498 0.000 3.327) 6.427 42.934 ( -5.867 0.000 -0.820) 5.924 45.625 ( 1.511 -0.000 -1.900) 2.428 45.889 ( -0.838 0.000 -2.699) 2.826 46.746 ( 10.316 -0.000 -1.922) 10.494 46.774 ( 5.246 -0.000 1.526) 5.464 53.764 ( -34.149 0.000 3.062) 34.286 53.864 ( -21.073 0.000 -0.866) 21.091 54.405 ( -57.028 0.000 10.977) 58.075 60.797 (-239.866 0.000 -326.312) 404.988 66.714 ( 14.811 -0.000 0.019) 14.811 67.071 ( 22.317 -0.000 15.191) 26.997 71.745 ( 8.003 -0.000 4.239) 9.057 72.045 ( 6.639 -0.000 -6.861) 9.547 ======================= Grid point 205 (87/172) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -6.582 0.000 21.512) 22.497 0.967 ( -6.784 0.000 22.484) 23.485 1.665 ( 2.487 -0.000 35.370) 35.457 1.803 ( -1.449 0.000 -18.160) 18.218 1.897 ( 6.464 -0.000 -15.184) 16.503 3.034 ( 2.679 -0.000 -23.188) 23.342 3.165 ( -4.057 0.000 3.450) 5.326 3.296 ( 5.561 -0.000 -4.538) 7.178 3.465 ( -2.420 0.000 6.143) 6.602 3.611 ( 0.587 -0.000 0.396) 0.708 4.197 ( -12.593 0.000 -2.316) 12.805 4.208 ( 3.088 -0.000 -2.963) 4.280 4.490 ( 3.579 -0.000 1.144) 3.757 4.512 ( -0.928 0.000 0.333) 0.986 4.774 ( 0.790 -0.000 4.445) 4.514 4.888 ( 4.854 -0.000 6.341) 7.986 4.911 ( -3.499 0.000 -2.541) 4.324 5.106 ( 5.278 -0.000 -2.999) 6.071 5.543 ( 10.679 -0.000 5.791) 12.148 5.828 ( -2.205 0.000 -6.735) 7.087 6.312 ( -2.335 0.000 1.252) 2.649 6.410 ( 2.603 -0.000 -2.764) 3.796 6.865 ( -21.318 0.000 2.494) 21.463 6.945 ( 14.562 -0.000 -1.081) 14.602 7.090 ( -13.089 0.000 3.637) 13.585 7.251 ( 8.005 -0.000 -3.569) 8.764 8.052 ( -6.806 0.000 1.138) 6.900 8.091 ( 2.939 -0.000 -0.646) 3.009 10.724 ( -13.007 0.000 0.537) 13.018 10.745 ( 46.774 -0.000 -0.361) 46.776 11.779 ( -7.428 0.000 1.022) 7.498 11.834 ( 10.030 -0.000 -1.450) 10.135 11.964 ( -26.458 0.000 1.674) 26.511 12.037 ( 12.578 -0.000 -1.632) 12.684 13.441 ( -1.240 0.000 3.024) 3.268 13.565 ( 1.079 -0.000 -2.499) 2.722 26.970 ( -0.462 0.000 0.902) 1.014 27.014 ( 0.566 -0.000 -1.087) 1.225 27.053 ( 0.378 -0.000 0.242) 0.449 27.061 ( -0.987 0.000 -0.047) 0.988 27.682 ( -0.069 0.000 1.405) 1.407 27.746 ( 0.056 -0.000 -1.418) 1.419 33.337 ( -4.507 0.000 4.216) 6.171 33.593 ( 3.154 -0.000 -8.086) 8.680 34.427 ( -4.574 0.000 10.564) 11.511 34.814 ( 3.528 -0.000 -7.617) 8.394 35.731 ( -3.274 0.000 2.565) 4.159 35.829 ( 1.482 -0.000 -1.877) 2.391 36.884 ( -0.995 0.000 2.581) 2.766 36.996 ( 0.961 -0.000 -2.387) 2.573 42.309 ( -0.605 0.000 3.916) 3.963 42.513 ( 0.589 -0.000 -5.404) 5.436 42.848 ( -2.257 0.000 1.380) 2.646 42.871 ( 1.009 -0.000 0.006) 1.009 45.550 ( -2.783 0.000 1.663) 3.242 45.622 ( 2.914 -0.000 -1.496) 3.276 46.836 ( -2.412 0.000 0.760) 2.529 46.871 ( 2.238 -0.000 -0.799) 2.376 53.149 ( 29.491 -0.000 1.120) 29.512 53.195 ( -10.400 0.000 -0.927) 10.441 53.648 ( 5.572 -0.000 1.250) 5.710 53.706 ( -5.741 0.000 -1.315) 5.890 67.039 ( 5.239 -0.000 6.008) 7.972 67.306 ( -3.732 0.000 -5.730) 6.838 71.894 ( -3.367 0.000 3.871) 5.130 72.084 ( 3.803 -0.000 -4.516) 5.904 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 1.286 -11.390 17.736) 21.118 1.136 ( 8.736 -14.605 16.101) 23.428 1.777 ( 5.882 0.136 -4.544) 7.434 1.880 ( 5.340 -7.059 16.704) 18.904 2.085 ( 18.078 -10.049 -9.944) 22.949 2.970 ( -1.866 2.406 -24.133) 24.325 3.134 ( -2.303 1.359 2.461) 3.634 3.411 ( 6.533 -2.720 -2.776) 7.602 3.611 ( 9.224 -7.768 3.558) 12.573 3.707 ( 10.442 -6.629 1.479) 12.456 4.037 ( -5.890 2.869 2.121) 6.886 4.238 ( 4.014 1.159 -1.831) 4.561 4.472 ( -4.370 0.643 0.034) 4.417 4.581 ( 2.632 -4.149 1.294) 5.081 4.761 ( -1.103 4.049 4.095) 5.863 4.866 ( -2.747 -3.189 0.084) 4.210 5.013 ( 3.683 -2.490 1.425) 4.669 5.055 ( 4.287 3.645 -3.766) 6.771 5.676 ( 7.274 -0.220 2.831) 7.809 5.891 ( 2.287 -7.723 -9.350) 12.341 6.295 ( -1.888 -0.671 1.646) 2.592 6.427 ( -1.763 3.356 0.112) 3.792 6.503 ( -14.260 7.232 5.348) 16.859 6.895 ( -9.193 3.933 4.074) 10.797 7.081 ( 8.346 3.221 -0.464) 8.957 7.357 ( 6.553 -2.417 -1.935) 7.248 7.851 ( -7.824 4.087 7.953) 11.882 8.083 ( -2.021 1.471 -2.950) 3.867 10.645 ( -3.100 -1.391 0.091) 3.399 11.107 ( -13.976 12.130 -3.722) 18.877 11.664 ( -3.367 -1.276 -3.822) 5.251 11.833 ( 3.086 2.827 -0.807) 4.262 12.014 ( 8.246 0.024 -1.889) 8.460 12.685 ( 61.414 -29.824 -14.919) 69.884 13.509 ( 0.802 -3.853 0.886) 4.034 13.777 ( 17.458 -17.026 -2.348) 24.499 26.970 ( -0.254 -0.421 0.735) 0.885 27.020 ( 0.587 -0.199 -0.980) 1.159 27.049 ( -0.653 0.151 0.198) 0.698 27.060 ( 0.192 -0.326 0.206) 0.431 27.670 ( -1.126 0.929 1.308) 1.960 27.731 ( -0.807 0.840 -1.360) 1.791 33.312 ( -0.970 -0.404 4.643) 4.760 33.629 ( 3.541 -0.688 -8.366) 9.110 34.401 ( -4.369 -1.262 10.121) 11.096 34.843 ( 3.278 0.085 -6.970) 7.703 35.701 ( -2.402 -0.388 3.322) 4.117 35.854 ( 1.643 -0.968 -1.750) 2.588 36.879 ( -0.900 -0.271 2.569) 2.736 37.010 ( 1.011 -0.754 -2.414) 2.724 42.322 ( 0.751 -0.436 3.364) 3.474 42.496 ( 0.324 0.186 -3.237) 3.258 42.815 ( -2.223 -0.419 2.757) 3.567 42.933 ( 5.260 -4.381 0.052) 6.845 45.578 ( 3.914 0.814 -0.495) 4.028 45.685 ( 3.829 -1.069 -1.136) 4.134 46.753 ( -6.943 4.098 0.110) 8.063 46.855 ( -0.961 2.054 -0.297) 2.287 53.190 ( 10.018 3.309 -0.323) 10.556 53.753 ( 5.053 -5.691 -0.534) 7.629 53.991 ( 25.667 -28.266 0.842) 38.190 54.994 ( 159.890 -47.546 -44.263) 172.583 66.957 ( 1.873 11.739 11.448) 16.503 67.256 ( -15.479 -3.327 -18.757) 24.546 71.958 ( -6.818 -14.298 2.356) 16.014 72.205 ( 1.580 -11.816 -4.857) 12.873 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 2.123 -12.031 12.473) 17.459 1.497 ( 9.301 -12.836 11.692) 19.697 1.821 ( 3.991 -1.180 -12.758) 13.420 2.086 ( 5.395 -6.136 1.218) 8.261 2.537 ( 19.678 -13.651 3.884) 24.262 2.883 ( -1.623 0.790 -11.293) 11.437 3.114 ( 3.313 0.997 1.403) 3.733 3.494 ( 1.377 -2.212 -1.686) 3.104 3.749 ( 1.390 -2.727 0.871) 3.182 3.962 ( 6.263 -0.359 -1.669) 6.492 4.023 ( 1.158 -5.491 0.601) 5.644 4.340 ( 11.811 -0.998 2.240) 12.062 4.410 ( -0.836 -0.294 -0.387) 0.967 4.632 ( -0.610 2.641 0.923) 2.863 4.714 ( 2.520 -0.156 4.962) 5.567 4.899 ( -1.374 -1.662 2.967) 3.668 5.006 ( 5.534 -4.205 -7.031) 9.886 5.241 ( 7.178 -7.509 -0.767) 10.416 5.782 ( 5.390 -4.782 -1.018) 7.277 5.964 ( -3.316 2.222 1.219) 4.174 6.178 ( -3.892 3.467 0.200) 5.216 6.321 ( -0.181 -2.242 1.228) 2.563 6.493 ( 0.221 0.640 0.534) 0.862 6.803 ( 1.767 -3.072 4.284) 5.559 7.123 ( 8.542 3.412 -1.335) 9.295 7.458 ( 5.503 -1.223 -1.438) 5.818 7.769 ( -3.894 0.760 7.489) 8.475 8.034 ( -1.555 0.760 -4.810) 5.112 10.574 ( -24.039 11.938 -1.470) 26.881 10.670 ( 0.305 5.034 1.502) 5.262 11.446 ( -19.454 9.076 -0.561) 21.474 11.826 ( 4.568 3.750 -0.437) 5.927 12.050 ( -1.881 -1.596 -0.089) 2.468 13.551 ( 4.608 -3.392 -0.254) 5.727 13.815 ( 48.493 -19.850 -12.474) 53.862 14.394 ( 25.815 -23.083 -7.687) 35.473 26.979 ( 0.010 -0.660 0.478) 0.815 27.032 ( 0.388 -0.520 -0.640) 0.911 27.040 ( -0.216 0.158 0.032) 0.270 27.072 ( 0.552 -0.711 0.124) 0.909 27.629 ( -2.134 1.940 0.784) 2.989 27.704 ( -0.882 1.003 -0.933) 1.629 33.332 ( 0.999 -0.870 3.999) 4.213 33.665 ( 3.222 -0.281 -8.565) 9.156 34.390 ( -3.827 -1.548 9.634) 10.481 34.864 ( 2.460 0.502 -6.116) 6.611 35.695 ( -1.239 -0.775 2.900) 3.247 35.895 ( 2.168 -1.623 -1.446) 3.070 36.875 ( -1.294 -0.307 2.839) 3.136 37.036 ( 1.134 -1.251 -2.774) 3.247 42.340 ( 0.895 0.128 1.909) 2.112 42.523 ( 1.304 -2.003 -1.515) 2.830 42.845 ( 3.555 -2.941 1.525) 4.859 43.157 ( 12.214 -10.324 0.589) 16.004 45.555 ( -3.083 3.725 -0.749) 4.894 45.735 ( 4.401 -0.323 0.472) 4.438 46.531 ( -12.416 9.138 -0.648) 15.430 46.796 ( -2.461 2.636 0.051) 3.607 53.287 ( 15.428 4.335 0.144) 16.026 53.961 ( 10.720 -7.665 -0.328) 13.183 55.031 ( 46.187 -45.796 4.307) 65.185 57.485 ( 150.515 -27.099 -48.015) 160.296 66.607 ( -19.135 22.573 -1.941) 29.656 67.133 ( -4.655 -3.525 -11.175) 12.608 72.132 ( -9.110 -17.682 1.300) 19.933 72.440 ( -0.251 -16.393 -8.413) 18.428 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 2.490 -4.933 4.768) 7.298 1.792 ( 5.281 -10.466 6.220) 13.271 1.910 ( 2.839 -8.623 -3.900) 9.881 2.159 ( 4.661 3.260 -8.795) 10.474 2.769 ( -3.178 -1.786 -3.139) 4.811 3.002 ( 11.244 -7.908 4.603) 14.497 3.224 ( 10.207 -4.289 2.954) 11.459 3.512 ( -2.629 -1.827 -1.157) 3.404 3.745 ( -1.321 2.028 0.155) 2.425 4.016 ( 6.054 2.167 0.046) 6.430 4.080 ( -2.065 -3.925 -2.991) 5.349 4.365 ( -0.613 -1.673 -1.930) 2.626 4.487 ( 3.897 1.877 1.466) 4.567 4.558 ( -0.999 3.913 -0.184) 4.043 4.785 ( 3.029 -1.195 5.096) 6.047 4.918 ( 0.151 -1.838 3.408) 3.875 5.159 ( 4.057 -0.153 -5.485) 6.824 5.475 ( 6.115 -12.023 -1.263) 13.547 5.745 ( -3.583 5.333 -2.531) 6.906 6.034 ( 8.482 -6.371 9.074) 13.960 6.178 ( 2.372 -0.363 -3.221) 4.016 6.311 ( -4.854 1.514 2.836) 5.822 6.540 ( 7.394 -6.579 -0.572) 9.913 7.108 ( 18.568 -16.369 1.975) 24.832 7.187 ( 9.967 1.728 -1.966) 10.305 7.525 ( 3.598 -0.801 -1.034) 3.828 7.728 ( -2.044 1.282 5.544) 6.046 8.009 ( -0.676 -0.012 -4.930) 4.976 9.994 ( -25.456 19.115 0.074) 31.834 10.676 ( 0.136 -0.275 0.118) 0.329 10.977 ( -24.431 14.584 0.645) 28.461 11.823 ( 5.932 4.527 -0.229) 7.466 12.039 ( -6.257 -3.328 0.463) 7.102 13.626 ( 1.285 -3.234 0.089) 3.481 14.562 ( 34.476 -12.989 -4.661) 37.135 14.968 ( 18.424 -15.548 -7.211) 25.163 26.990 ( 0.104 -0.547 0.236) 0.605 27.030 ( -0.541 -0.020 0.339) 0.639 27.048 ( 0.489 -0.234 -0.379) 0.661 27.102 ( 1.474 -1.538 -0.295) 2.151 27.565 ( -2.576 2.496 0.333) 3.602 27.678 ( -0.733 0.850 -0.477) 1.220 33.368 ( 1.349 -1.042 3.645) 4.024 33.685 ( 2.435 0.444 -8.320) 8.680 34.390 ( -2.826 -1.813 8.963) 9.571 34.866 ( 1.450 1.135 -5.295) 5.606 35.700 ( -0.678 -0.663 2.096) 2.300 35.949 ( 2.434 -1.838 -1.086) 3.238 36.866 ( -1.608 -0.243 3.196) 3.586 37.065 ( 1.047 -1.157 -3.166) 3.529 42.345 ( 0.545 0.537 0.727) 1.055 42.557 ( -0.316 -1.475 -0.355) 1.550 43.002 ( 9.305 -5.949 0.514) 11.056 43.532 ( 16.790 -13.989 0.417) 21.858 45.401 ( -8.227 5.923 0.170) 10.139 45.804 ( 4.333 -1.144 0.919) 4.574 46.179 ( -15.998 12.650 -1.281) 20.436 46.719 ( -2.954 2.713 0.130) 4.013 53.405 ( 12.794 2.628 0.041) 13.061 54.218 ( 12.379 -6.326 0.012) 13.902 56.455 ( 52.764 -54.794 4.283) 76.189 59.156 ( 99.232 -0.543 -21.649) 101.567 65.922 ( -25.279 24.801 -5.562) 35.847 67.167 ( 0.639 -4.121 -6.861) 8.029 72.267 ( -9.792 -12.754 1.098) 16.117 72.658 ( -1.143 -13.658 -11.046) 17.603 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.673 0.532 -1.127) 1.416 1.973 ( -1.028 -10.245 0.288) 10.300 2.098 ( 3.194 4.378 -5.563) 7.766 2.152 ( 7.656 -7.142 1.614) 10.594 2.710 ( -3.106 2.689 0.223) 4.114 3.183 ( 1.712 -2.845 5.008) 6.009 3.428 ( 7.703 -3.955 2.033) 8.894 3.533 ( -0.284 -5.769 -2.636) 6.349 3.692 ( -0.511 2.610 -0.820) 2.783 4.008 ( 0.849 4.222 -0.616) 4.350 4.120 ( 0.020 -3.341 -1.550) 3.683 4.383 ( 0.202 0.014 -0.888) 0.911 4.477 ( 1.863 3.302 -1.457) 4.062 4.528 ( 0.791 -1.752 -0.530) 1.995 4.807 ( 0.289 1.559 4.043) 4.343 4.961 ( -1.546 -3.221 3.532) 5.024 5.126 ( -0.901 2.608 -3.168) 4.201 5.483 ( -1.947 5.600 -1.991) 6.254 5.826 ( 3.871 -5.808 -1.908) 7.236 6.165 ( -1.784 -1.917 4.732) 5.409 6.212 ( 2.853 -0.975 0.674) 3.089 6.262 ( -1.354 -0.678 5.380) 5.589 6.813 ( 10.232 -8.759 -1.993) 13.616 7.326 ( 12.634 -2.657 -2.392) 13.130 7.541 ( 1.517 -2.846 0.741) 3.309 7.666 ( 12.438 -7.819 2.150) 14.848 7.738 ( 11.515 -8.220 2.006) 14.289 8.004 ( 0.827 -0.708 -4.782) 4.904 9.388 ( -24.140 18.614 0.449) 30.487 10.418 ( -22.262 12.419 0.076) 25.492 10.721 ( 1.026 0.813 0.531) 1.413 11.825 ( 6.122 4.288 -0.075) 7.474 12.013 ( -7.078 -3.598 0.589) 7.962 13.683 ( 0.760 -2.089 0.091) 2.225 15.041 ( 20.642 -6.442 -2.425) 21.759 15.289 ( 6.071 -7.587 -4.238) 10.601 26.998 ( 0.047 -0.235 0.113) 0.265 27.027 ( -0.184 -0.197 0.226) 0.352 27.053 ( 0.070 0.040 0.048) 0.094 27.148 ( 1.612 -1.618 -0.513) 2.341 27.499 ( -2.050 2.049 0.191) 2.905 27.659 ( -0.435 0.495 -0.264) 0.710 33.404 ( 0.804 -1.029 3.584) 3.815 33.684 ( 1.462 1.111 -7.760) 7.975 34.408 ( -1.617 -2.202 8.030) 8.482 34.848 ( 0.693 1.627 -4.693) 5.015 35.705 ( -0.360 -0.515 1.519) 1.644 35.999 ( 1.690 -1.151 -0.901) 2.235 36.857 ( -1.359 -0.265 3.443) 3.711 37.085 ( 0.837 -0.537 -3.399) 3.542 42.343 ( 0.299 0.345 0.167) 0.486 42.566 ( -0.681 -0.616 0.224) 0.945 43.210 ( 8.229 -5.205 0.013) 9.737 43.954 ( 15.292 -12.518 0.248) 19.764 45.215 ( -6.944 4.614 0.639) 8.362 45.758 ( -13.949 10.161 0.786) 17.276 45.892 ( 1.950 0.656 -1.460) 2.523 46.649 ( -2.276 1.840 0.138) 2.930 53.497 ( 6.669 0.823 -0.218) 6.723 54.426 ( 8.247 -3.482 0.195) 8.954 57.915 ( 42.139 -51.998 2.854) 66.990 59.792 ( 39.762 21.852 -5.592) 45.714 65.330 ( -15.322 15.386 -0.371) 21.717 67.245 ( 2.121 -5.263 -8.771) 10.447 72.297 ( -7.953 -4.432 0.892) 9.148 72.805 ( -0.157 -7.771 -11.047) 13.507 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -2.408 1.478 -1.172) 3.059 1.994 ( -0.846 7.771 -1.387) 7.939 2.091 ( -1.344 -5.979 -2.110) 6.481 2.355 ( 2.821 -6.770 -1.744) 7.539 2.638 ( 0.384 3.356 1.858) 3.855 3.192 ( -0.713 0.924 8.887) 8.963 3.518 ( 0.840 -1.821 -4.865) 5.262 3.627 ( 0.355 1.983 2.219) 2.997 3.654 ( -0.411 -2.845 -3.501) 4.530 3.931 ( -2.672 2.387 0.147) 3.585 4.172 ( 0.576 -2.680 -1.550) 3.149 4.379 ( -0.470 -0.629 -1.506) 1.698 4.456 ( 4.328 3.134 -1.045) 5.445 4.554 ( -3.103 -0.729 -0.526) 3.231 4.798 ( 2.752 0.690 2.716) 3.928 4.979 ( -2.080 -1.107 2.786) 3.648 5.093 ( 0.270 0.612 -0.715) 0.979 5.416 ( 1.504 1.305 -2.689) 3.346 5.875 ( 0.315 1.958 -0.850) 2.157 6.147 ( -4.651 -1.150 3.242) 5.785 6.257 ( -0.158 -0.031 2.040) 2.046 6.283 ( 0.815 -2.485 4.555) 5.252 6.951 ( 2.083 -0.581 -2.401) 3.232 7.439 ( -1.994 0.776 -1.176) 2.441 7.551 ( -1.268 -1.039 0.746) 1.801 7.740 ( 5.617 1.838 3.251) 6.745 7.992 ( -1.207 -2.374 -5.429) 6.047 8.123 ( 0.243 0.962 -0.373) 1.060 9.000 ( 0.074 -0.287 0.803) 0.856 10.140 ( -1.239 0.125 0.454) 1.326 10.724 ( 0.695 0.646 0.356) 1.014 11.829 ( 2.620 1.915 -0.040) 3.245 11.995 ( -2.937 -1.749 0.728) 3.495 13.705 ( -0.319 -0.212 0.105) 0.397 15.245 ( 5.976 0.752 -3.024) 6.740 15.346 ( -5.732 -0.333 -1.913) 6.052 27.000 ( 0.029 -0.014 0.110) 0.115 27.031 ( 0.116 -0.216 -0.028) 0.247 27.049 ( -0.277 0.320 0.366) 0.560 27.174 ( 0.119 -0.151 -0.599) 0.629 27.467 ( 0.003 0.051 0.187) 0.194 27.652 ( 0.004 -0.035 -0.211) 0.214 33.428 ( -0.356 -0.842 3.772) 3.881 33.663 ( 0.692 1.551 -7.277) 7.472 34.445 ( -0.603 -2.486 7.203) 7.644 34.819 ( 0.339 1.852 -4.428) 4.812 35.712 ( -0.117 -0.446 1.204) 1.289 36.016 ( 0.046 0.193 -0.804) 0.828 36.855 ( -0.566 -0.397 3.518) 3.585 37.090 ( 0.625 0.358 -3.486) 3.560 42.343 ( 0.069 -0.181 -0.059) 0.203 42.564 ( -0.219 0.136 0.450) 0.518 43.311 ( 0.186 -0.138 -0.208) 0.312 44.177 ( -0.099 0.047 0.308) 0.326 45.136 ( 0.233 -0.424 0.639) 0.802 45.545 ( 0.222 0.446 -0.480) 0.692 45.913 ( 0.236 -0.053 -0.408) 0.474 46.619 ( -0.358 -0.151 0.170) 0.424 53.531 ( -0.518 -0.404 -0.321) 0.731 54.508 ( 0.150 -0.150 0.160) 0.266 58.761 ( -0.230 3.359 3.156) 4.615 59.681 ( 0.917 -3.605 -2.983) 4.769 65.114 ( -0.396 0.794 3.142) 3.265 67.365 ( 3.925 -7.647 -12.621) 15.270 72.232 ( -3.523 3.739 1.957) 5.497 72.858 ( 1.884 0.475 -10.079) 10.264 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.980 2.499 1.975) 4.362 1.831 ( -6.076 7.937 4.804) 11.090 2.111 ( -2.148 -0.029 -6.115) 6.482 2.364 ( -5.961 1.414 -7.950) 10.037 2.669 ( 5.856 -0.904 4.192) 7.259 3.219 ( 2.628 -1.253 7.602) 8.140 3.435 ( -8.354 9.078 0.992) 12.376 3.533 ( -1.050 2.442 -4.776) 5.465 3.713 ( -1.049 -3.201 -2.698) 4.316 3.901 ( -2.713 -2.398 2.576) 4.443 4.199 ( -1.245 -1.018 -3.199) 3.581 4.384 ( 1.400 1.337 -1.927) 2.731 4.483 ( 5.528 1.167 0.310) 5.659 4.496 ( -4.875 -0.947 0.469) 4.988 4.848 ( 2.627 -0.626 2.421) 3.626 4.965 ( -1.281 0.405 3.373) 3.631 5.090 ( 0.254 0.831 -1.597) 1.818 5.466 ( 3.179 -3.301 -2.504) 5.222 5.782 ( -3.544 7.351 0.391) 8.170 6.084 ( -6.805 1.266 3.459) 7.738 6.251 ( 0.302 0.345 1.652) 1.714 6.339 ( 0.296 -2.240 3.535) 4.195 6.885 ( -6.620 5.457 -3.848) 9.402 7.285 ( -9.164 5.811 -0.944) 10.892 7.536 ( -5.713 -1.829 0.929) 6.070 7.701 ( -21.113 17.421 0.761) 27.383 7.763 ( 0.254 3.829 2.586) 4.627 7.997 ( -0.896 -0.957 -5.714) 5.862 9.394 ( 23.655 -18.895 0.246) 30.276 10.399 ( 20.265 -13.749 0.668) 24.498 10.718 ( 1.321 1.247 0.627) 1.922 11.825 ( -2.218 -1.206 -0.088) 2.526 12.001 ( 2.536 0.943 0.925) 2.860 13.682 ( -1.474 1.600 0.105) 2.178 15.122 ( -17.965 4.995 -7.154) 19.972 15.186 ( -7.991 9.820 1.119) 12.710 27.001 ( 0.162 0.065 0.016) 0.175 27.035 ( 0.025 0.193 0.037) 0.198 27.037 ( -0.410 0.365 0.438) 0.702 27.154 ( -1.358 1.236 -0.656) 1.950 27.498 ( 2.048 -1.938 0.218) 2.828 27.660 ( 0.460 -0.574 -0.279) 0.787 33.433 ( -1.767 -0.642 4.136) 4.543 33.633 ( 0.484 1.634 -7.216) 7.415 34.490 ( -0.316 -2.326 7.075) 7.454 34.787 ( 0.474 1.823 -4.755) 5.114 35.721 ( 0.100 -0.456 1.090) 1.186 35.991 ( -1.569 1.535 -0.742) 2.317 36.866 ( 0.177 -0.476 3.443) 3.480 37.078 ( 0.433 1.261 -3.465) 3.712 42.350 ( -0.191 -0.745 -0.053) 0.771 42.556 ( 0.105 1.003 0.497) 1.124 43.218 ( -7.870 4.878 -0.243) 9.262 43.955 ( -14.959 12.476 0.240) 19.480 45.231 ( 7.175 -5.066 0.173) 8.785 45.738 ( 11.750 -8.222 1.083) 14.382 45.909 ( 1.022 -2.090 -1.710) 2.887 46.646 ( 1.594 -2.145 0.234) 2.683 53.497 ( -7.513 -1.649 -0.228) 7.695 54.434 ( -8.410 2.974 -0.038) 8.920 57.873 ( -41.397 52.878 3.726) 67.258 59.881 ( -37.934 -26.636 -7.752) 46.996 65.264 ( 11.760 -9.504 1.315) 15.177 67.540 ( 5.596 -9.730 -18.311) 21.478 72.121 ( 2.707 9.458 4.489) 10.814 72.797 ( 4.009 9.965 -8.757) 13.858 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -3.496 3.971 7.724) 9.362 1.616 ( -9.565 8.520 11.157) 16.987 2.037 ( -2.505 3.760 -9.310) 10.348 2.213 ( -6.867 4.897 -10.583) 13.533 2.710 ( -0.570 5.359 4.246) 6.860 3.167 ( -9.383 6.434 3.829) 12.004 3.266 ( -1.233 -1.070 -2.735) 3.185 3.491 ( 0.760 1.857 -1.987) 2.824 3.716 ( -1.965 -0.269 0.155) 1.990 3.933 ( -2.724 -3.883 1.877) 5.102 4.165 ( -3.452 0.362 -3.915) 5.232 4.343 ( 3.074 5.137 -1.866) 6.270 4.509 ( -0.567 -3.694 2.732) 4.630 4.552 ( 4.500 -1.687 -0.045) 4.806 4.822 ( -7.954 2.337 3.433) 8.973 4.963 ( 2.343 1.830 4.111) 5.073 5.038 ( -6.509 1.839 -3.331) 7.539 5.425 ( -5.835 11.258 -0.254) 12.682 5.621 ( -4.429 3.733 1.092) 5.895 6.027 ( 0.733 -2.750 2.063) 3.515 6.260 ( 1.586 0.258 0.668) 1.740 6.366 ( -0.202 -0.458 1.582) 1.659 6.667 ( -11.359 4.495 -4.597) 13.053 7.060 ( -18.761 8.013 1.982) 20.496 7.227 ( -3.485 9.539 -1.876) 10.327 7.484 ( -8.110 -1.830 0.761) 8.348 7.767 ( 0.794 0.630 5.101) 5.201 8.014 ( 2.979 -0.622 -6.188) 6.896 9.993 ( 23.651 -19.172 0.089) 30.445 10.669 ( -0.832 -0.461 0.329) 1.007 10.970 ( 26.947 -13.517 0.863) 30.160 11.819 ( -3.697 -2.558 -0.118) 4.498 12.018 ( 3.650 2.147 1.048) 4.362 13.625 ( -2.279 2.517 0.107) 3.397 14.675 ( -33.779 10.629 -11.699) 37.294 14.810 ( -17.218 18.480 1.030) 25.279 27.002 ( 0.360 0.139 -0.247) 0.458 27.016 ( -0.957 0.852 0.861) 1.543 27.039 ( 0.384 0.042 -0.176) 0.425 27.116 ( -1.376 1.057 -0.646) 1.851 27.562 ( 2.526 -2.361 0.389) 3.480 27.679 ( 0.818 -0.949 -0.504) 1.350 33.421 ( -2.926 -0.720 4.390) 5.325 33.604 ( 0.828 1.422 -7.530) 7.708 34.524 ( -1.251 -1.383 8.084) 8.296 34.763 ( 1.370 1.401 -6.010) 6.322 35.732 ( 0.204 -0.536 1.237) 1.364 35.935 ( -2.190 2.288 -0.860) 3.282 36.882 ( 0.306 -0.374 3.311) 3.346 37.051 ( 0.303 1.869 -3.348) 3.846 42.361 ( -0.504 -1.042 0.318) 1.201 42.531 ( -0.647 2.084 0.340) 2.209 43.019 ( -9.181 5.661 -0.023) 10.786 43.542 ( -15.798 14.011 0.150) 21.116 45.427 ( 9.046 -5.997 -0.680) 10.875 45.787 ( -4.788 0.401 1.437) 5.015 46.193 ( 16.455 -11.965 -1.695) 20.416 46.714 ( 2.308 -2.972 0.319) 3.777 53.411 ( -13.562 -3.706 -0.113) 14.060 54.229 ( -13.593 5.498 -0.296) 14.666 56.445 ( -52.177 52.626 4.379) 74.237 59.299 ( -98.962 -3.706 -26.235) 102.448 65.661 ( 20.555 -14.503 1.661) 25.211 67.713 ( 5.032 -6.624 -26.023) 27.320 72.034 ( 8.892 10.988 7.321) 15.918 72.615 ( 5.487 18.284 -7.011) 20.336 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -8.005 6.141 13.169) 16.590 1.399 ( -6.520 7.865 17.917) 20.625 1.914 ( -4.807 5.079 -7.030) 9.916 2.026 ( -4.046 7.556 -13.500) 15.991 2.423 ( -15.789 15.477 7.523) 23.355 3.109 ( 0.204 -1.203 1.560) 1.981 3.211 ( -5.466 -0.739 -14.244) 15.274 3.446 ( -2.319 4.269 0.033) 4.858 3.676 ( -4.265 1.422 2.354) 5.075 3.897 ( -9.490 1.766 0.898) 9.694 4.112 ( -1.320 0.893 -2.170) 2.693 4.346 ( 7.569 2.630 -1.089) 8.087 4.572 ( -11.146 1.612 5.608) 12.581 4.600 ( -4.781 -3.554 0.371) 5.969 4.630 ( 5.176 1.052 1.875) 5.605 4.875 ( -7.972 3.642 -2.473) 9.107 4.933 ( 0.872 5.485 1.840) 5.851 5.202 ( -4.389 7.752 1.293) 9.002 5.504 ( -3.266 3.258 4.713) 6.595 6.123 ( -1.240 1.328 -3.834) 4.242 6.325 ( 8.926 -4.999 -2.179) 10.460 6.354 ( 0.388 1.419 0.580) 1.581 6.474 ( -5.952 3.184 0.722) 6.789 6.850 ( -10.743 -6.953 2.568) 13.052 7.155 ( 2.960 3.216 -2.602) 5.087 7.399 ( -9.559 -0.485 0.988) 9.623 7.772 ( -0.007 0.050 7.276) 7.276 8.063 ( 5.765 0.279 -5.686) 8.102 10.502 ( 12.252 -10.565 0.961) 16.207 10.696 ( 8.330 -4.315 0.404) 9.390 11.449 ( 19.356 -8.717 -0.695) 21.240 11.819 ( -3.178 -2.717 -0.233) 4.188 12.017 ( 2.189 2.709 0.768) 3.567 13.552 ( -6.048 1.136 -0.300) 6.161 13.896 ( -47.095 23.874 -20.099) 56.496 14.252 ( -22.130 19.853 1.595) 29.773 26.993 ( -0.886 0.704 0.927) 1.463 27.004 ( 0.565 0.199 -0.645) 0.880 27.043 ( 0.467 0.063 -0.039) 0.473 27.089 ( -1.047 0.403 -0.495) 1.226 27.625 ( 2.022 -1.840 0.824) 2.855 27.706 ( 1.058 -1.092 -0.929) 1.782 33.403 ( -3.691 -1.185 4.210) 5.723 33.586 ( 1.529 1.130 -8.001) 8.224 34.521 ( -3.040 0.252 9.341) 9.826 34.762 ( 2.742 0.551 -7.366) 7.879 35.745 ( -0.179 -0.677 1.849) 1.977 35.873 ( -1.411 2.242 -1.468) 3.029 36.892 ( -0.169 -0.145 3.136) 3.144 37.020 ( 0.374 1.838 -3.095) 3.619 42.366 ( -1.234 -0.300 1.710) 2.130 42.479 ( -1.682 1.796 -0.637) 2.542 42.860 ( -4.945 3.196 0.967) 5.967 43.182 ( -10.390 10.797 -0.134) 14.985 45.589 ( 5.881 -1.899 -2.006) 6.498 45.724 ( -7.410 -2.245 0.877) 7.792 46.542 ( 13.047 -9.009 -1.049) 15.890 46.786 ( 1.804 -2.660 0.406) 3.240 53.301 ( -17.849 -6.524 -0.217) 19.005 53.963 ( -12.278 7.327 -0.403) 14.303 55.086 ( -48.394 40.753 3.511) 63.365 57.503 (-150.476 33.663 -52.783) 162.980 66.178 ( 21.300 -17.173 6.915) 28.220 67.737 ( 2.282 4.890 -29.484) 29.974 72.009 ( 11.046 9.350 7.434) 16.270 72.352 ( 5.877 21.187 -5.041) 22.558 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.840 4.310 18.739) 22.581 1.228 ( -8.224 11.103 17.732) 22.480 1.713 ( -8.242 7.859 18.580) 21.793 1.897 ( 2.579 4.401 -16.531) 17.300 2.006 ( -14.694 10.312 -4.022) 18.396 3.059 ( -2.362 1.675 -18.301) 18.529 3.209 ( 0.187 -1.777 -1.149) 2.125 3.316 ( -4.969 3.955 -0.860) 6.409 3.568 ( -8.615 2.314 3.601) 9.619 3.699 ( -6.689 6.677 1.494) 9.569 4.132 ( 1.550 -3.337 -2.066) 4.220 4.320 ( -6.827 -0.292 -3.143) 7.521 4.485 ( 2.932 1.082 -1.013) 3.286 4.574 ( -3.689 5.630 0.262) 6.736 4.744 ( 2.023 -4.679 3.985) 6.470 4.841 ( 4.448 2.374 2.657) 5.699 4.863 ( 7.283 0.089 3.950) 8.285 5.058 ( -6.912 0.838 0.835) 7.012 5.479 ( 2.049 1.292 6.929) 7.341 5.953 ( -4.092 8.523 -6.764) 11.624 6.340 ( -1.537 0.387 1.954) 2.516 6.389 ( 0.859 0.271 -2.132) 2.315 6.661 ( 15.753 -9.996 -1.310) 18.703 6.920 ( -11.147 -13.414 2.701) 17.649 7.167 ( 6.749 1.775 -3.051) 7.617 7.269 ( -10.690 1.874 1.334) 10.934 7.841 ( 4.785 -6.627 8.798) 12.009 8.111 ( 5.824 2.162 -3.800) 7.283 10.570 ( 3.733 3.489 2.701) 5.780 10.972 ( 6.427 0.038 -0.148) 6.429 11.649 ( 5.503 -0.683 -2.528) 6.094 11.819 ( -4.575 -2.800 -0.479) 5.385 11.997 ( 3.515 3.375 -0.809) 4.940 12.733 ( -57.910 26.006 -16.671) 65.634 13.512 ( -0.300 3.926 1.197) 4.116 13.740 ( -15.319 13.240 -0.359) 20.251 26.977 ( -0.574 0.313 0.938) 1.143 27.008 ( 0.705 0.072 -0.966) 1.198 27.048 ( 0.441 0.063 0.113) 0.459 27.074 ( -0.989 0.065 -0.319) 1.041 27.667 ( 0.999 -0.922 1.286) 1.871 27.734 ( 0.999 -0.879 -1.314) 1.870 33.380 ( -4.645 -1.231 3.612) 6.011 33.581 ( 2.372 0.870 -8.300) 8.676 34.478 ( -4.319 1.194 10.023) 10.979 34.784 ( 3.427 0.040 -7.782) 8.504 35.751 ( -1.628 -0.801 2.558) 3.136 35.833 ( 0.402 1.582 -2.334) 2.848 36.892 ( -0.790 0.032 2.821) 2.930 36.998 ( 0.692 1.047 -2.664) 2.945 42.333 ( -2.358 1.363 3.440) 4.388 42.478 ( 1.442 -2.110 -2.918) 3.879 42.810 ( -0.101 -0.598 2.654) 2.722 42.960 ( -3.915 6.579 -0.768) 7.694 45.612 ( -0.197 1.113 -0.974) 1.492 45.666 ( -9.090 -0.868 -1.609) 9.272 46.774 ( 7.325 -4.788 -0.558) 8.769 46.835 ( 0.587 -1.533 0.389) 1.687 53.198 ( -17.789 -7.634 -0.602) 19.367 53.736 ( -5.088 7.227 0.016) 8.838 54.091 ( -31.314 22.480 0.378) 38.550 54.726 (-139.230 65.466 -37.955) 158.466 66.703 ( 15.056 -18.508 10.173) 25.937 67.529 ( -0.466 15.957 -18.940) 24.770 71.980 ( 4.233 8.763 4.965) 10.925 72.127 ( 6.272 13.086 -4.570) 15.214 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 12.972 -0.000 17.665) 21.916 1.193 ( 15.208 -0.000 11.206) 18.891 1.934 ( 8.856 -0.000 18.474) 20.487 1.935 ( 11.666 -0.000 -14.351) 18.495 2.234 ( 26.595 -0.000 0.292) 26.596 2.916 ( -1.344 0.000 -23.071) 23.110 3.197 ( 5.408 -0.000 0.799) 5.466 3.458 ( 4.486 -0.000 -1.763) 4.820 3.727 ( 2.920 -0.000 3.456) 4.524 3.738 ( 17.042 -0.000 3.032) 17.310 4.010 ( 1.027 -0.000 -0.188) 1.044 4.333 ( 8.438 -0.000 1.194) 8.522 4.475 ( 0.363 -0.000 -1.512) 1.555 4.524 ( -1.126 0.000 0.480) 1.225 4.797 ( 0.643 -0.000 4.037) 4.088 4.814 ( -3.838 0.000 0.023) 3.838 5.083 ( 10.964 -0.000 3.583) 11.535 5.096 ( 1.826 -0.000 -7.435) 7.656 5.775 ( -0.700 0.000 -7.741) 7.772 5.786 ( 3.364 -0.000 1.326) 3.616 6.278 ( -1.240 0.000 1.892) 2.262 6.378 ( -12.830 0.000 5.625) 14.009 6.462 ( 1.628 -0.000 -1.602) 2.284 6.742 ( -13.518 0.000 5.657) 14.654 7.274 ( 11.598 -0.000 -2.261) 11.816 7.377 ( 2.294 -0.000 1.048) 2.522 7.771 ( -6.384 0.000 6.482) 9.098 8.058 ( -3.723 0.000 -3.281) 4.962 10.726 ( 6.357 -0.000 -1.454) 6.521 11.062 ( -20.636 0.000 0.635) 20.646 11.481 ( -14.063 0.000 1.089) 14.105 11.706 ( -9.293 0.000 -4.279) 10.231 12.458 ( 20.129 -0.000 6.451) 21.138 13.173 ( 76.484 -0.000 -37.899) 85.359 13.669 ( 19.365 -0.000 3.004) 19.597 13.781 ( 17.830 -0.000 -3.414) 18.154 26.965 ( -0.137 0.000 0.662) 0.676 27.023 ( 0.387 -0.000 -0.885) 0.966 27.044 ( -0.192 0.000 -0.067) 0.204 27.060 ( 0.092 -0.000 0.556) 0.564 27.662 ( -1.904 0.000 1.362) 2.341 27.718 ( -1.831 0.000 -1.482) 2.356 33.319 ( 1.512 -0.000 3.748) 4.042 33.654 ( 3.712 -0.000 -7.760) 8.602 34.358 ( -3.750 0.000 10.441) 11.094 34.871 ( 2.778 -0.000 -6.591) 7.152 35.683 ( -0.808 0.000 3.252) 3.351 35.863 ( 1.711 -0.000 -1.330) 2.167 36.870 ( -0.969 0.000 2.412) 2.600 37.011 ( 0.683 -0.000 -2.199) 2.303 42.356 ( 4.059 -0.000 3.212) 5.176 42.498 ( 2.084 -0.000 -2.429) 3.200 42.825 ( 3.024 -0.000 3.074) 4.312 42.953 ( 6.273 -0.000 -0.596) 6.301 45.631 ( 1.099 -0.000 -3.657) 3.819 45.739 ( 4.855 -0.000 1.352) 5.039 46.691 ( -9.635 0.000 -0.473) 9.647 46.821 ( -6.250 0.000 0.165) 6.253 53.856 ( 34.622 -0.000 3.832) 34.833 53.921 ( 25.577 -0.000 -0.314) 25.578 54.112 ( 65.474 -0.000 9.303) 66.131 56.681 ( 193.534 -0.000 -101.761) 218.657 67.009 ( -10.053 0.000 7.058) 12.283 67.024 ( -16.649 0.000 -7.951) 18.450 71.710 ( -12.613 0.000 3.270) 13.030 72.114 ( 1.131 -0.000 -5.860) 5.968 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 14.802 -3.020 11.972) 19.275 1.470 ( 12.709 -9.154 10.224) 18.704 1.967 ( 8.934 7.183 -11.828) 16.472 2.105 ( 10.305 -3.972 3.030) 11.452 2.620 ( 21.159 -5.277 3.909) 22.155 2.892 ( 4.532 1.065 -10.817) 11.776 3.258 ( 10.768 4.144 0.862) 11.570 3.480 ( -0.417 0.321 -1.250) 1.356 3.728 ( -2.394 -2.475 4.820) 5.924 3.955 ( 5.452 -3.100 -1.711) 6.501 4.081 ( 9.389 1.129 -0.042) 9.456 4.357 ( -2.018 1.240 -4.467) 5.056 4.541 ( 13.347 -0.481 3.787) 13.882 4.601 ( -0.323 -5.610 1.699) 5.871 4.734 ( -1.725 2.381 0.875) 3.068 4.872 ( 6.552 -4.030 2.824) 8.194 5.074 ( 7.453 4.439 -5.018) 10.021 5.288 ( 11.467 -1.660 -1.682) 11.708 5.763 ( 4.613 -4.459 -4.083) 7.604 5.879 ( -5.098 -5.705 3.820) 8.551 6.208 ( -1.664 4.605 -0.673) 4.942 6.303 ( -0.147 0.337 1.675) 1.715 6.460 ( -5.149 -0.898 0.947) 5.312 6.703 ( -0.101 -8.269 4.166) 9.260 7.308 ( 6.423 5.114 -0.547) 8.228 7.464 ( 3.304 -3.684 0.254) 4.955 7.752 ( 0.774 0.330 5.300) 5.367 8.010 ( -2.275 0.047 -4.988) 5.483 10.556 ( -19.189 16.000 -0.074) 24.985 10.823 ( -1.427 3.368 0.746) 3.733 11.309 ( -19.833 2.962 -0.008) 20.053 11.561 ( -16.725 -5.430 -1.923) 17.690 12.524 ( 26.801 22.055 4.311) 34.976 13.746 ( 19.035 9.900 0.245) 21.457 14.082 ( 45.560 -16.093 -14.803) 50.535 14.326 ( 28.218 -22.840 -13.458) 38.717 26.970 ( 0.193 -0.524 0.448) 0.716 27.025 ( -0.236 -0.268 -0.296) 0.463 27.045 ( 0.637 0.206 -0.441) 0.802 27.067 ( 0.325 -0.648 0.393) 0.824 27.627 ( -2.581 1.193 0.981) 3.008 27.690 ( -2.238 0.026 -1.205) 2.542 33.352 ( 2.567 -0.126 2.970) 3.928 33.688 ( 3.296 -0.198 -7.804) 8.474 34.341 ( -3.089 -1.013 10.084) 10.595 34.887 ( 1.775 0.269 -5.876) 6.144 35.689 ( 0.595 -0.091 2.692) 2.759 35.893 ( 1.957 -1.260 -1.204) 2.621 36.860 ( -1.327 -0.045 2.573) 2.896 37.022 ( 0.379 -1.069 -2.368) 2.626 42.407 ( 5.998 2.300 2.142) 6.771 42.549 ( 6.225 0.189 -1.651) 6.443 42.882 ( 6.715 -0.539 1.753) 6.961 43.136 ( 11.413 -9.583 -0.105) 14.903 45.571 ( -5.019 4.004 -2.425) 6.863 45.783 ( 2.184 -0.376 2.167) 3.099 46.498 ( -13.849 6.560 -1.401) 15.388 46.737 ( -8.929 -1.176 0.549) 9.023 53.864 ( 28.791 22.061 0.768) 36.279 54.579 ( 54.999 3.914 -1.532) 55.159 55.110 ( 78.607 -10.383 21.224) 82.082 58.808 ( 143.193 -19.206 -92.584) 171.596 66.631 ( -25.000 16.119 -13.295) 32.582 66.942 ( -12.294 -7.879 8.028) 16.663 71.689 ( -15.309 -16.825 1.715) 22.812 72.207 ( 0.962 -10.538 -9.431) 14.174 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 12.957 -4.974 7.905) 15.973 1.779 ( 12.169 -7.763 8.969) 16.994 1.920 ( 6.383 6.577 -9.371) 13.108 2.275 ( 10.925 -0.174 -5.090) 12.053 2.773 ( 6.181 3.825 -3.697) 8.156 3.029 ( 8.629 -5.884 4.274) 11.285 3.340 ( 12.297 2.921 2.434) 12.871 3.446 ( -4.521 -0.531 -0.331) 4.564 3.751 ( -1.807 -1.740 2.377) 3.456 3.988 ( -1.098 -1.331 -3.442) 3.850 4.131 ( 3.543 2.881 0.284) 4.575 4.342 ( 1.146 -1.276 -4.512) 4.827 4.574 ( -0.959 4.464 0.934) 4.660 4.639 ( 5.271 2.833 1.183) 6.100 4.771 ( 1.655 -3.100 3.243) 4.782 4.995 ( 9.751 5.354 1.872) 11.281 5.220 ( 6.826 -1.860 -3.096) 7.723 5.386 ( 8.268 -7.546 -1.467) 11.290 5.777 ( -5.158 4.417 -1.703) 7.001 6.033 ( 9.216 -7.980 3.598) 12.711 6.189 ( 1.340 -0.871 -2.178) 2.701 6.266 ( -4.443 1.417 2.852) 5.466 6.487 ( 3.385 -7.966 1.236) 8.744 7.027 ( 16.213 -18.627 1.246) 24.726 7.318 ( 3.355 0.893 0.642) 3.531 7.537 ( 3.611 -0.566 -0.157) 3.658 7.777 ( 5.016 1.822 3.727) 6.509 7.993 ( 0.060 -0.382 -5.417) 5.431 9.994 ( -25.028 19.185 0.260) 31.536 10.754 ( -5.891 5.246 2.049) 8.151 10.912 ( -19.324 10.024 -1.923) 21.855 11.506 ( -17.555 -12.150 -0.437) 21.354 12.484 ( 27.096 23.660 2.176) 36.038 13.822 ( 19.975 10.199 0.792) 22.442 14.734 ( 28.511 -12.979 -1.194) 31.349 14.924 ( 19.369 -16.030 -14.121) 28.836 26.984 ( 0.367 -0.574 0.191) 0.707 27.025 ( -0.261 -0.094 0.272) 0.389 27.049 ( 0.277 -0.053 -0.235) 0.367 27.094 ( 1.320 -1.473 -0.257) 1.995 27.568 ( -2.965 2.016 0.402) 3.607 27.663 ( -2.228 -0.227 -0.611) 2.322 33.389 ( 2.537 -0.026 2.775) 3.760 33.710 ( 2.477 0.410 -7.777) 8.172 34.346 ( -2.163 -1.620 9.364) 9.746 34.885 ( 0.645 0.697 -5.131) 5.218 35.702 ( 1.088 0.243 1.985) 2.277 35.943 ( 2.077 -2.007 -1.029) 3.066 36.848 ( -1.587 -0.144 2.890) 3.300 37.044 ( 0.144 -1.691 -2.729) 3.214 42.429 ( 6.331 4.454 0.891) 7.792 42.606 ( 6.905 2.727 -0.593) 7.448 43.033 ( 10.143 -4.922 0.690) 11.295 43.500 ( 15.778 -14.541 0.123) 21.457 45.397 ( -8.698 6.282 -0.626) 10.748 45.815 ( -0.611 -1.706 2.229) 2.873 46.167 ( -16.493 10.691 -2.345) 19.795 46.649 ( -9.690 -1.898 0.515) 9.887 53.870 ( 27.870 20.565 0.496) 34.640 55.019 ( 70.315 34.827 2.232) 78.499 56.375 ( 62.917 -36.740 10.752) 73.647 60.222 ( 81.291 0.357 -40.766) 90.941 65.964 ( -27.125 22.077 -13.775) 37.589 66.962 ( -12.924 -11.771 4.396) 18.026 71.832 ( -14.611 -22.310 0.080) 26.669 72.403 ( 0.413 -14.455 -13.221) 19.593 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 14.688 7.750 0.183) 16.608 1.860 ( 3.523 -2.417 -1.089) 4.409 2.089 ( 9.254 -8.563 5.539) 13.771 2.327 ( 10.701 8.932 -6.622) 15.431 2.760 ( 3.546 3.840 1.535) 5.448 3.179 ( 3.403 -2.583 2.784) 5.100 3.393 ( -4.178 -2.092 0.789) 4.739 3.476 ( 6.234 -3.059 -0.060) 6.944 3.734 ( 0.066 2.246 0.606) 2.328 4.005 ( -3.337 -3.489 -2.886) 5.625 4.097 ( -0.547 2.088 0.538) 2.224 4.371 ( -0.001 -1.277 -3.674) 3.889 4.489 ( -1.261 3.663 -0.332) 3.888 4.668 ( 7.771 3.605 0.589) 8.586 4.813 ( -0.425 -0.683 3.152) 3.253 5.023 ( 10.368 5.493 1.361) 11.812 5.172 ( -0.291 5.400 -1.843) 5.713 5.558 ( 1.786 4.147 -2.146) 5.000 5.765 ( 4.553 -7.844 -0.761) 9.102 6.122 ( -3.436 0.303 2.855) 4.478 6.205 ( -2.164 -2.700 3.590) 4.986 6.248 ( 2.139 0.033 1.583) 2.661 6.754 ( 7.650 -11.708 -1.655) 14.084 7.354 ( -0.846 -3.239 1.258) 3.576 7.529 ( 8.043 -4.987 0.122) 9.464 7.653 ( 16.751 -14.231 0.994) 22.002 7.834 ( 9.156 2.025 2.161) 9.623 8.008 ( 3.524 -0.800 -5.853) 6.878 9.384 ( -25.272 18.351 0.504) 31.236 10.365 ( -19.330 11.879 0.903) 22.706 10.776 ( -1.882 0.604 -0.599) 2.065 11.495 ( -17.404 -12.663 -0.242) 21.525 12.446 ( 26.788 21.836 1.041) 34.576 13.892 ( 19.492 11.273 0.863) 22.533 15.169 ( 17.250 -6.931 0.239) 18.592 15.230 ( 5.222 -6.373 -8.341) 11.724 26.996 ( 0.334 -0.318 0.032) 0.462 27.025 ( 0.114 -0.055 0.345) 0.368 27.052 ( -0.094 -0.100 0.029) 0.140 27.138 ( 1.453 -1.764 -0.488) 2.337 27.502 ( -2.533 1.839 0.184) 3.135 27.643 ( -1.989 -0.546 -0.301) 2.084 33.419 ( 1.826 0.197 2.925) 3.454 33.709 ( 1.552 1.193 -7.465) 7.717 34.370 ( -1.050 -2.106 8.435) 8.757 34.866 ( -0.161 1.057 -4.633) 4.755 35.713 ( 1.221 0.461 1.534) 2.014 35.992 ( 1.235 -1.558 -0.933) 2.196 36.840 ( -1.259 -0.472 3.178) 3.451 37.067 ( -0.068 -1.610 -3.048) 3.447 42.427 ( 6.211 5.173 0.248) 8.087 42.633 ( 7.133 4.109 0.104) 8.232 43.233 ( 8.395 -4.401 0.098) 9.479 43.923 ( 14.274 -13.685 0.156) 19.775 45.204 ( -7.058 4.560 0.322) 8.409 45.725 ( -14.745 6.978 1.438) 16.376 45.899 ( -2.797 0.921 -2.172) 3.660 46.573 ( -9.068 -2.870 0.384) 9.519 53.870 ( 26.128 20.587 0.361) 33.266 55.197 ( 61.955 42.381 1.604) 75.081 57.697 ( 46.546 -41.557 3.976) 62.525 60.565 ( 21.209 28.902 -9.488) 37.083 65.364 ( -17.794 14.578 -6.350) 23.863 67.011 ( -13.438 -14.117 -1.616) 19.557 72.010 ( -10.280 -18.159 0.245) 20.869 72.616 ( 1.086 -13.480 -13.914) 19.403 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 12.635 13.322 -2.098) 18.480 1.984 ( 1.759 -3.728 0.081) 4.123 2.237 ( 9.776 11.944 -0.783) 15.455 2.301 ( 3.092 -3.256 -0.031) 4.490 2.759 ( 7.415 4.264 2.433) 8.893 3.210 ( 0.409 0.809 5.818) 5.888 3.413 ( -4.169 -5.818 -4.231) 8.314 3.573 ( 1.449 -3.209 -0.053) 3.521 3.698 ( 0.132 3.185 1.085) 3.367 3.939 ( -5.082 3.389 -1.543) 6.301 4.113 ( -1.177 -3.912 -0.265) 4.094 4.374 ( 0.306 -0.172 -2.322) 2.348 4.443 ( -0.609 0.606 -2.479) 2.624 4.677 ( 3.900 5.144 2.116) 6.794 4.814 ( -0.980 -0.844 1.391) 1.899 5.084 ( 10.114 7.886 2.135) 13.002 5.096 ( 2.621 0.355 -1.768) 3.181 5.495 ( 4.125 5.248 -2.986) 7.312 5.901 ( 2.734 -1.655 -1.642) 3.593 6.066 ( -5.691 -0.560 4.519) 7.289 6.222 ( -3.779 -2.967 4.284) 6.437 6.279 ( 2.612 -0.030 2.110) 3.358 6.919 ( -1.081 -3.857 -2.467) 4.704 7.373 ( -4.570 -2.642 0.400) 5.294 7.546 ( -2.387 2.411 1.461) 3.694 7.848 ( 2.538 4.556 3.454) 6.255 7.946 ( 0.139 -1.379 -6.213) 6.366 8.152 ( 2.813 0.823 -1.568) 3.324 8.981 ( -1.830 -0.663 0.717) 2.074 10.145 ( 2.418 -0.736 0.851) 2.667 10.761 ( -1.533 -1.243 -0.261) 1.991 11.488 ( -15.955 -11.874 -0.241) 19.890 12.438 ( 26.608 19.885 0.528) 33.221 13.927 ( 17.848 12.933 0.956) 22.062 15.235 ( -8.503 1.558 -5.586) 10.292 15.353 ( 5.227 1.034 0.406) 5.344 27.002 ( 0.293 -0.021 0.065) 0.301 27.030 ( 0.341 -0.173 0.156) 0.413 27.049 ( -0.273 0.164 0.203) 0.378 27.168 ( 0.033 -0.589 -0.533) 0.795 27.464 ( -0.613 0.121 0.171) 0.648 27.634 ( -1.588 -1.029 -0.208) 1.904 33.433 ( 0.593 0.552 3.333) 3.430 33.688 ( 0.897 1.735 -7.220) 7.479 34.412 ( -0.170 -2.429 7.688) 8.065 34.836 ( -0.450 1.220 -4.512) 4.696 35.722 ( 1.330 0.512 1.365) 1.974 36.011 ( -0.485 -0.279 -0.892) 1.053 36.845 ( -0.406 -0.812 3.362) 3.482 37.081 ( -0.240 -1.009 -3.298) 3.457 42.419 ( 5.924 5.004 -0.019) 7.755 42.650 ( 7.629 4.912 0.430) 9.083 43.319 ( 0.089 0.993 -0.205) 1.018 44.157 ( -1.007 -1.690 0.301) 1.990 45.130 ( 0.264 -0.893 0.681) 1.153 45.531 ( -1.326 -1.223 -0.651) 1.918 45.884 ( -3.367 -1.364 -0.483) 3.665 46.535 ( -7.052 -4.739 0.270) 8.501 53.839 ( 24.802 21.948 0.337) 33.121 55.181 ( 48.532 42.998 0.495) 64.842 58.650 ( 15.090 -24.434 1.236) 28.745 59.881 ( -27.676 44.825 -1.469) 52.702 65.108 ( -3.509 0.990 1.830) 4.080 67.092 ( -12.754 -17.197 -8.202) 22.927 72.149 ( -3.916 -9.705 2.495) 10.759 72.798 ( 2.559 -8.775 -12.425) 15.425 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 11.906 13.379 2.191) 18.043 1.949 ( 0.475 9.605 -1.358) 9.712 2.166 ( 5.142 6.734 -0.092) 8.473 2.318 ( -3.033 1.137 -2.826) 4.299 2.822 ( 12.050 3.958 1.055) 12.728 3.220 ( -1.269 -1.246 3.823) 4.216 3.399 ( -5.880 0.416 -1.254) 6.026 3.586 ( -1.756 6.379 0.473) 6.634 3.658 ( 1.697 -2.925 -1.657) 3.766 3.849 ( -3.373 0.388 1.971) 3.926 4.147 ( -2.517 -2.747 -2.118) 4.285 4.395 ( 1.815 -1.352 -0.877) 2.427 4.436 ( 0.214 -0.268 -3.079) 3.098 4.628 ( 2.703 5.484 1.830) 6.382 4.810 ( -4.371 -1.601 1.562) 4.910 5.029 ( -1.431 2.516 1.288) 3.169 5.181 ( 13.838 6.253 -0.665) 15.200 5.496 ( 5.636 1.547 -3.196) 6.661 5.866 ( -1.170 6.600 -0.511) 6.722 6.018 ( -5.779 -0.732 4.302) 7.242 6.231 ( -3.072 -2.991 3.444) 5.499 6.317 ( 2.018 -0.464 3.552) 4.112 6.826 ( -14.560 4.234 -3.680) 15.603 7.291 ( -6.184 6.850 -3.980) 10.050 7.419 ( -9.667 -0.167 3.707) 10.354 7.693 ( -17.888 11.196 1.104) 21.132 7.846 ( -3.347 7.718 2.272) 8.714 7.987 ( 1.006 0.916 -5.862) 6.018 9.373 ( 23.471 -19.230 -0.001) 30.342 10.432 ( 20.301 -13.138 1.572) 24.233 10.782 ( 0.709 -2.769 -0.513) 2.904 11.495 ( -12.151 -10.598 -0.414) 16.129 12.448 ( 25.881 18.888 0.250) 32.041 13.910 ( 15.258 14.578 1.175) 21.136 14.967 ( -21.895 8.040 -5.304) 23.920 15.259 ( -6.689 9.747 0.301) 11.825 27.005 ( 0.379 0.089 0.060) 0.394 27.035 ( -0.356 -0.021 0.338) 0.491 27.042 ( 0.289 0.457 0.048) 0.543 27.153 ( -1.610 0.948 -0.551) 1.948 27.488 ( 1.575 -1.994 0.221) 2.551 27.638 ( -1.139 -1.585 -0.259) 1.970 33.425 ( -0.825 0.882 3.919) 4.101 33.658 ( 0.814 1.862 -7.368) 7.643 34.461 ( -0.073 -2.319 7.603) 7.949 34.806 ( -0.118 1.162 -4.918) 5.055 35.733 ( 1.450 0.504 1.439) 2.104 35.988 ( -2.059 0.982 -0.916) 2.458 36.863 ( 0.298 -0.831 3.420) 3.532 37.082 ( -0.363 -0.124 -3.462) 3.484 42.412 ( 5.532 4.440 -0.027) 7.093 42.657 ( 7.298 5.867 0.491) 9.376 43.211 ( -7.351 5.793 -0.187) 9.361 43.951 ( -16.298 10.641 0.114) 19.465 45.234 ( 7.270 -5.477 0.517) 9.116 45.730 ( 9.489 -9.352 0.373) 13.328 45.863 ( -0.914 -3.523 -1.317) 3.871 46.556 ( -4.852 -6.692 0.190) 8.268 53.775 ( 26.115 24.398 0.328) 35.740 55.012 ( 36.765 42.342 -0.099) 56.076 58.290 ( -37.535 58.226 2.812) 69.333 59.045 ( -52.793 -7.527 -4.418) 53.510 65.244 ( 11.197 -10.830 3.917) 16.063 67.228 ( -11.438 -20.466 -15.692) 28.212 72.232 ( 2.399 -1.329 6.198) 6.778 72.899 ( 3.742 -0.958 -10.523) 11.210 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 11.117 13.280 8.620) 19.345 1.746 ( 0.600 15.845 3.720) 16.287 2.106 ( 0.563 5.243 -5.474) 7.601 2.228 ( -0.973 5.319 -5.676) 7.839 2.839 ( 0.389 8.199 0.850) 8.252 3.178 ( -7.685 -0.919 -3.459) 8.477 3.271 ( 3.741 10.396 2.052) 11.237 3.527 ( 1.919 0.969 -0.199) 2.159 3.715 ( 2.119 0.115 0.637) 2.216 3.847 ( -1.859 -2.930 3.454) 4.896 4.130 ( -3.105 -0.575 -3.185) 4.485 4.432 ( 2.279 1.738 -2.483) 3.792 4.455 ( 1.036 -3.063 1.143) 3.430 4.585 ( -1.217 2.254 -0.210) 2.570 4.738 ( -8.895 1.582 3.813) 9.806 4.946 ( -7.570 2.204 -0.882) 7.934 5.198 ( 12.272 10.795 0.188) 16.345 5.522 ( 2.128 3.922 -0.466) 4.486 5.681 ( -4.947 10.582 1.082) 11.731 6.000 ( 0.818 -2.707 2.772) 3.961 6.260 ( -2.349 -4.203 2.845) 5.593 6.346 ( 1.905 0.582 3.526) 4.050 6.515 ( -18.142 3.045 -7.284) 19.785 6.996 ( -18.861 12.025 -0.464) 22.373 7.303 ( -7.429 4.674 2.831) 9.223 7.373 ( -4.333 1.541 -2.108) 5.059 7.792 ( -0.226 1.520 4.773) 5.014 8.015 ( 2.311 -1.727 -6.111) 6.758 9.973 ( 23.681 -19.109 0.113) 30.430 10.768 ( 7.690 -1.745 2.038) 8.144 11.006 ( 13.604 -17.108 -0.489) 21.863 11.544 ( -3.357 -8.244 -1.410) 9.012 12.455 ( 25.230 18.938 -0.065) 31.547 13.821 ( 7.146 15.306 1.320) 16.943 14.456 ( -29.932 14.450 -7.291) 34.028 14.896 ( -16.656 17.834 0.177) 24.403 27.009 ( 0.421 0.143 0.005) 0.444 27.020 ( -0.743 0.768 0.528) 1.192 27.046 ( 0.611 0.122 -0.083) 0.629 27.113 ( -1.695 1.047 -0.550) 2.067 27.551 ( 2.137 -2.650 0.424) 3.430 27.655 ( -0.720 -2.035 -0.490) 2.214 33.400 ( -1.943 0.934 4.455) 4.949 33.630 ( 1.269 1.631 -7.858) 8.125 34.498 ( -1.178 -1.497 8.336) 8.551 34.786 ( 1.011 0.803 -5.921) 6.060 35.744 ( 1.312 0.519 1.883) 2.353 35.936 ( -2.495 1.628 -1.241) 3.227 36.884 ( 0.350 -0.473 3.379) 3.430 37.067 ( -0.358 0.763 -3.476) 3.577 42.409 ( 4.771 3.827 0.368) 6.127 42.627 ( 3.823 6.969 0.044) 7.949 43.019 ( -6.100 6.334 0.462) 8.806 43.548 ( -17.544 12.127 -0.314) 21.330 45.434 ( 8.594 -6.241 0.060) 10.621 45.742 ( -5.470 0.817 0.620) 5.566 46.175 ( 14.932 -13.627 -1.255) 20.254 46.621 ( -3.824 -7.568 0.138) 8.480 53.711 ( 33.097 27.758 0.343) 43.198 54.741 ( 29.054 40.892 -0.192) 50.163 56.734 ( -52.980 61.113 3.144) 80.942 58.140 ( -96.272 11.477 -12.280) 97.728 65.668 ( 19.698 -15.929 5.538) 25.931 67.401 ( -10.565 -21.056 -25.228) 34.517 72.275 ( 7.096 4.491 9.492) 12.673 72.874 ( 3.966 8.316 -8.774) 12.723 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.584 19.692 7.620) 21.417 1.545 ( 6.116 11.179 16.248) 20.649 1.995 ( -0.797 7.306 -8.275) 11.067 2.130 ( 4.018 7.435 -9.448) 12.677 2.524 ( -13.503 18.640 7.471) 24.199 3.085 ( -9.042 -0.679 -12.628) 15.546 3.266 ( 15.967 6.471 -0.074) 17.228 3.480 ( -5.028 5.257 -0.945) 7.336 3.705 ( 2.101 4.605 4.432) 6.727 3.852 ( -2.899 0.876 2.483) 3.916 4.095 ( -3.255 0.343 -2.023) 3.848 4.367 ( -15.659 2.226 -3.749) 16.255 4.474 ( 2.286 0.592 2.082) 3.148 4.530 ( 1.879 -4.164 4.419) 6.356 4.674 ( -0.074 0.322 0.322) 0.462 4.822 ( -5.309 0.920 -1.264) 5.534 5.144 ( 8.710 12.373 0.712) 15.148 5.339 ( -5.112 14.436 -0.333) 15.318 5.554 ( 2.453 2.909 6.635) 7.649 6.094 ( -1.170 -2.540 -3.959) 4.847 6.317 ( -4.407 -7.310 3.580) 9.256 6.350 ( -1.510 -4.181 -4.445) 6.286 6.398 ( 3.931 0.203 0.360) 3.953 6.628 ( -15.487 4.318 1.629) 16.160 7.214 ( -4.059 0.824 3.179) 5.222 7.318 ( -0.565 1.888 -3.281) 3.828 7.777 ( -0.894 0.464 6.504) 6.582 8.063 ( 1.194 -2.445 -6.288) 6.852 10.502 ( 17.128 -14.276 2.731) 22.464 10.889 ( 10.160 -3.242 -1.147) 10.727 11.344 ( -1.680 -13.235 2.996) 13.674 11.699 ( 10.298 -5.485 -5.772) 13.017 12.455 ( 26.774 20.085 -0.582) 33.475 13.406 ( -40.028 18.356 -6.281) 44.482 13.968 ( 4.058 19.331 -3.398) 20.042 14.342 ( -19.757 22.096 -0.343) 29.643 26.996 ( -0.714 0.813 0.828) 1.363 27.014 ( 0.688 0.255 -0.566) 0.926 27.050 ( 0.450 0.108 0.102) 0.474 27.083 ( -1.133 0.553 -0.449) 1.338 27.614 ( 1.389 -2.304 0.920) 2.843 27.682 ( -0.205 -2.240 -0.982) 2.454 33.367 ( -2.530 0.663 4.749) 5.422 33.615 ( 2.082 1.222 -8.461) 8.798 34.500 ( -2.999 -0.089 9.084) 9.566 34.789 ( 2.492 0.232 -6.802) 7.248 35.749 ( 0.104 0.630 2.894) 2.964 35.883 ( -1.166 1.517 -2.140) 2.871 36.894 ( -0.155 0.025 3.216) 3.220 37.042 ( -0.031 1.297 -3.245) 3.495 42.399 ( 2.240 3.465 1.839) 4.517 42.533 ( -0.298 5.834 -1.531) 6.039 42.899 ( 0.670 5.288 2.379) 5.837 43.195 ( -12.216 8.811 -1.364) 15.124 45.595 ( 2.984 -3.603 0.174) 4.681 45.668 ( -2.361 1.388 -0.403) 2.768 46.528 ( 10.917 -10.607 -0.694) 15.237 46.694 ( -3.913 -7.272 0.027) 8.258 53.718 ( 47.515 31.775 1.058) 57.170 54.437 ( 25.304 37.951 -0.067) 45.613 55.238 ( -49.407 48.127 3.228) 69.049 56.413 (-112.383 38.584 -24.808) 121.384 66.172 ( 18.162 -16.232 9.909) 26.297 67.524 ( -11.139 -15.241 -33.656) 38.589 72.286 ( 8.026 8.018 9.639) 14.887 72.706 ( 3.285 16.386 -7.315) 18.242 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 5.171 18.766 12.139) 22.940 1.402 ( -3.525 15.236 17.209) 23.253 1.841 ( -0.382 8.570 -4.933) 9.895 2.043 ( -4.993 11.114 1.942) 12.338 2.099 ( 7.116 16.214 -0.699) 17.720 2.983 ( -4.288 -1.353 -19.586) 20.096 3.265 ( -10.985 5.389 1.171) 12.291 3.367 ( 11.869 3.916 -2.786) 12.805 3.650 ( 7.623 9.279 5.840) 13.354 3.760 ( -1.502 6.532 0.782) 6.748 4.043 ( -5.906 -2.811 1.578) 6.729 4.227 ( -3.615 -0.441 -5.233) 6.376 4.528 ( -0.054 -0.769 1.575) 1.754 4.605 ( -2.464 3.590 -0.380) 4.371 4.665 ( 1.475 -7.198 5.027) 8.903 4.871 ( 4.856 -6.731 -0.032) 8.300 5.012 ( 0.403 11.353 1.700) 11.487 5.096 ( 0.536 9.685 -1.649) 9.839 5.597 ( 8.550 2.820 8.080) 12.097 6.008 ( -3.178 4.595 -10.475) 11.872 6.344 ( -2.154 2.293 1.628) 3.542 6.377 ( -2.736 -5.423 2.036) 6.406 6.497 ( -9.677 -9.106 4.405) 13.999 6.659 ( 10.397 -12.301 -2.217) 16.258 7.137 ( -8.561 0.774 4.512) 9.709 7.311 ( 6.279 2.288 -3.836) 7.705 7.794 ( -0.276 -2.809 8.574) 9.026 8.090 ( -1.553 -2.153 -5.646) 6.239 10.744 ( 1.538 -0.885 7.783) 7.983 11.126 ( 0.152 -10.152 -8.624) 13.322 11.472 ( 4.368 -6.744 4.679) 9.298 11.792 ( -1.861 1.584 -10.684) 10.960 12.398 ( -6.368 19.246 1.632) 20.338 12.604 ( 8.460 25.982 -12.657) 30.114 13.739 ( -7.094 15.944 3.119) 17.727 13.883 ( 9.616 19.539 -4.211) 22.181 26.980 ( -0.345 0.580 0.803) 1.049 27.017 ( 0.716 0.267 -0.870) 1.158 27.052 ( -0.100 0.006 0.324) 0.339 27.066 ( -0.426 0.318 -0.275) 0.598 27.655 ( -0.062 -1.638 1.294) 2.089 27.715 ( 0.099 -1.888 -1.331) 2.312 33.335 ( -2.512 0.437 4.813) 5.447 33.615 ( 2.976 0.892 -8.832) 9.362 34.461 ( -4.249 1.151 9.418) 10.396 34.813 ( 3.251 -0.065 -7.026) 7.742 35.732 ( -1.984 0.591 3.467) 4.038 35.858 ( 0.983 1.225 -2.535) 2.982 36.890 ( -0.715 0.342 2.896) 3.003 37.020 ( 0.651 1.235 -2.791) 3.121 42.349 ( -1.509 2.805 3.155) 4.483 42.486 ( 2.240 1.347 -2.603) 3.689 42.852 ( 0.831 3.178 4.372) 5.469 42.988 ( -2.827 5.575 -2.539) 6.746 45.581 ( -2.831 1.112 1.867) 3.569 45.676 ( 2.391 0.934 -2.674) 3.706 46.736 ( -2.743 -6.281 0.625) 6.882 46.770 ( 2.836 -6.150 -0.947) 6.838 53.731 ( 4.121 32.130 7.301) 33.206 54.066 ( -22.203 27.606 -4.435) 35.704 54.184 ( 19.286 34.365 2.814) 39.508 54.695 ( 6.221 56.248 -31.572) 64.802 66.626 ( 11.550 -15.772 13.521) 23.769 67.480 ( -13.396 -3.984 -32.863) 35.711 72.209 ( 2.351 12.412 5.483) 13.771 72.439 ( 2.562 18.871 -6.023) 19.973 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 12.004 -0.000 7.672) 14.246 1.542 ( 16.412 -0.000 11.195) 19.866 2.081 ( 4.467 -0.000 -13.223) 13.957 2.207 ( 11.366 -0.000 1.296) 11.440 2.841 ( 15.673 -0.000 7.924) 17.562 2.977 ( 8.353 -0.000 -8.538) 11.944 3.461 ( 14.923 -0.000 -0.189) 14.925 3.481 ( -1.150 0.000 -1.988) 2.297 3.632 ( -6.889 0.000 6.969) 9.799 4.064 ( 10.776 -0.000 -0.426) 10.784 4.182 ( 4.902 -0.000 1.062) 5.016 4.339 ( -2.058 0.000 -7.851) 8.117 4.526 ( 3.043 -0.000 1.484) 3.386 4.667 ( 4.947 -0.000 2.243) 5.431 4.744 ( 1.057 -0.000 1.965) 2.231 4.942 ( 10.669 -0.000 1.815) 10.822 5.269 ( 11.149 -0.000 -8.358) 13.934 5.461 ( 19.389 -0.000 2.029) 19.495 5.738 ( 0.061 -0.000 -6.886) 6.886 5.777 ( 0.058 -0.000 7.898) 7.898 6.270 ( 4.377 -0.000 -3.633) 5.689 6.330 ( 2.720 -0.000 1.796) 3.260 6.357 ( -9.402 0.000 2.380) 9.699 6.640 ( 4.525 -0.000 2.702) 5.270 7.342 ( -4.774 0.000 4.639) 6.657 7.525 ( 9.818 -0.000 -2.856) 10.225 7.812 ( 6.039 -0.000 4.721) 7.665 7.981 ( -0.329 0.000 -6.483) 6.492 10.497 ( -25.494 0.000 -0.290) 25.495 10.648 ( -13.710 0.000 1.273) 13.769 11.127 ( -15.956 0.000 1.391) 16.017 11.289 ( -22.471 0.000 -3.030) 22.675 13.118 ( 30.693 -0.000 10.956) 32.589 14.230 ( 26.048 -0.000 -2.232) 26.143 14.282 ( 27.668 -0.000 6.038) 28.319 14.478 ( 37.360 -0.000 -32.578) 49.569 26.972 ( 0.691 -0.000 0.366) 0.781 27.019 ( -0.260 0.000 -0.218) 0.339 27.060 ( 1.212 -0.000 -0.683) 1.391 27.060 ( -0.033 0.000 0.637) 0.638 27.606 ( -2.910 0.000 1.279) 3.178 27.654 ( -3.090 0.000 -1.554) 3.459 33.392 ( 3.257 -0.000 2.150) 3.903 33.713 ( 2.952 -0.000 -7.283) 7.858 34.317 ( -2.159 0.000 10.029) 10.259 34.895 ( 0.697 -0.000 -5.421) 5.465 35.710 ( 2.036 -0.000 2.320) 3.086 35.903 ( 1.968 -0.000 -1.208) 2.309 36.848 ( -1.400 0.000 2.487) 2.854 37.009 ( -0.303 0.000 -2.187) 2.208 42.537 ( 10.212 -0.000 2.299) 10.468 42.661 ( 11.840 -0.000 -2.609) 12.124 42.984 ( 8.584 -0.000 2.882) 9.054 43.181 ( 12.842 -0.000 -1.267) 12.905 45.532 ( -7.207 0.000 -2.843) 7.747 45.766 ( -4.048 0.000 3.600) 5.418 46.382 ( -15.251 0.000 -2.843) 15.514 46.577 ( -14.055 0.000 1.375) 14.122 54.670 ( 41.055 -0.000 -3.793) 41.230 54.804 ( 47.600 -0.000 1.592) 47.627 56.590 ( 111.452 -0.000 53.065) 123.440 59.965 ( 103.752 -0.000 -114.711) 154.671 66.529 ( -21.274 0.000 -8.607) 22.949 66.583 ( -27.161 0.000 5.889) 27.793 71.342 ( -18.046 0.000 4.237) 18.537 72.123 ( 1.856 -0.000 -12.679) 12.814 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 11.337 -0.871 7.585) 13.669 1.819 ( 13.446 -7.104 9.272) 17.811 2.082 ( 5.254 4.024 -10.737) 12.613 2.368 ( 10.730 -2.875 -2.407) 11.366 2.977 ( 7.883 4.175 0.749) 8.952 3.035 ( 3.712 -1.966 1.874) 4.600 3.405 ( -4.080 3.043 0.015) 5.090 3.600 ( 7.971 -0.856 -1.373) 8.133 3.634 ( 1.647 -0.681 4.990) 5.299 4.086 ( 6.986 9.247 -1.431) 11.677 4.182 ( -1.036 2.562 -0.323) 2.783 4.311 ( -0.834 -1.467 -6.538) 6.752 4.588 ( -1.609 -0.516 2.946) 3.396 4.709 ( 2.089 -0.359 1.772) 2.763 4.807 ( 8.193 1.515 1.469) 8.460 5.185 ( 12.335 -12.273 0.199) 17.402 5.274 ( 4.790 7.413 -2.833) 9.270 5.539 ( 14.484 11.178 0.476) 18.302 5.740 ( -2.759 -1.417 -2.215) 3.811 6.011 ( 10.249 -10.191 0.406) 14.459 6.210 ( -3.424 4.089 2.476) 5.880 6.317 ( 6.941 5.274 -3.152) 9.270 6.394 ( 2.242 -6.172 2.525) 7.035 6.933 ( 18.393 -18.911 0.611) 26.387 7.293 ( -4.819 -0.782 4.286) 6.496 7.612 ( 5.504 0.823 -0.500) 5.587 7.893 ( 8.212 1.255 4.418) 9.409 7.996 ( 4.133 -0.331 -7.935) 8.953 9.986 ( -26.629 17.893 -0.248) 32.083 10.578 ( -19.148 -9.944 2.198) 21.688 10.793 ( -21.827 10.584 -1.238) 24.290 11.137 ( -17.160 -9.899 -0.867) 19.829 13.275 ( 31.750 24.443 6.228) 40.550 14.336 ( 27.002 14.979 2.328) 30.966 14.796 ( 19.706 -14.508 0.223) 24.472 14.940 ( 24.829 -11.145 -18.845) 33.103 26.985 ( 0.980 -0.195 0.162) 1.012 27.020 ( 0.038 -0.317 0.016) 0.319 27.054 ( -0.084 0.371 0.402) 0.554 27.088 ( 1.436 -1.144 -0.554) 1.918 27.559 ( -3.234 1.408 0.708) 3.598 27.620 ( -3.247 -0.798 -0.949) 3.476 33.431 ( 3.175 0.367 1.915) 3.726 33.732 ( 2.143 0.250 -6.997) 7.322 34.320 ( -1.157 -0.896 9.463) 9.576 34.887 ( -0.415 0.288 -4.913) 4.939 35.735 ( 2.442 0.714 1.854) 3.148 35.937 ( 1.933 -1.394 -1.162) 2.651 36.834 ( -1.437 0.091 2.604) 2.975 37.011 ( -0.669 -1.379 -2.309) 2.771 42.624 ( 11.363 5.742 1.173) 12.785 42.793 ( 14.193 4.077 -1.728) 14.868 43.098 ( 9.998 -1.811 1.756) 10.312 43.467 ( 15.676 -12.473 -0.464) 20.038 45.382 ( -9.210 5.255 -1.473) 10.706 45.726 ( -8.003 -3.223 3.607) 9.351 46.112 ( -16.646 7.750 -3.638) 18.719 46.442 ( -15.522 -4.754 1.132) 16.273 54.740 ( 45.426 32.851 -0.599) 56.063 55.880 ( 56.954 -28.542 -1.518) 63.724 57.525 ( 97.504 45.095 41.126) 115.030 60.899 ( 55.628 -8.337 -65.758) 86.534 65.942 ( -27.890 19.581 -12.743) 36.382 66.513 ( -24.800 -16.639 6.098) 30.481 71.293 ( -17.067 -18.969 4.040) 25.835 72.199 ( 1.504 -9.248 -16.669) 19.121 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 8.652 -2.965 6.206) 11.053 2.058 ( 6.829 6.178 -7.190) 11.683 2.094 ( 10.365 -6.967 7.473) 14.553 2.519 ( 9.406 -0.506 -3.990) 10.229 2.928 ( 2.770 7.561 2.933) 8.570 3.124 ( -1.903 -5.650 -0.730) 6.006 3.333 ( -2.566 0.341 0.753) 2.696 3.652 ( 10.551 7.463 2.696) 13.202 3.704 ( -1.249 -5.962 0.081) 6.092 4.006 ( 5.380 8.540 -2.124) 10.314 4.112 ( -2.842 2.648 -0.968) 4.003 4.327 ( -1.002 -2.518 -4.809) 5.520 4.542 ( -0.878 3.430 1.519) 3.852 4.738 ( 0.894 -0.525 1.865) 2.133 4.837 ( 2.958 2.957 0.992) 4.298 5.177 ( -2.183 4.332 -0.847) 4.925 5.421 ( 15.372 9.096 -0.078) 17.862 5.633 ( 10.437 -5.272 -0.830) 11.722 5.732 ( 3.590 1.160 -0.911) 3.881 6.094 ( -3.130 1.289 2.046) 3.955 6.166 ( -0.222 0.654 1.400) 1.561 6.325 ( 8.150 4.704 0.041) 9.411 6.629 ( 5.399 -13.242 -1.028) 14.338 7.271 ( -3.807 -2.534 3.257) 5.614 7.530 ( 18.993 -15.560 -0.481) 24.558 7.643 ( 4.140 -3.806 2.253) 6.058 7.985 ( 9.204 1.704 4.328) 10.313 8.061 ( 8.987 0.105 -9.193) 12.856 9.363 ( -26.958 18.282 0.160) 32.573 10.333 ( -15.733 10.266 1.137) 18.821 10.553 ( -19.738 -11.143 -0.340) 22.669 11.123 ( -14.087 -11.420 -0.634) 18.146 13.236 ( 32.714 28.281 2.249) 43.302 14.412 ( 26.011 16.208 2.432) 30.744 15.137 ( 5.256 -8.216 -5.711) 11.302 15.289 ( 15.098 -5.014 -4.378) 16.500 26.998 ( 0.747 -0.082 -0.023) 0.751 27.029 ( 0.635 -0.120 0.347) 0.734 27.049 ( -0.226 0.009 0.152) 0.272 27.127 ( 1.328 -1.575 -0.513) 2.123 27.497 ( -2.872 1.530 0.262) 3.265 27.597 ( -3.042 -1.219 -0.403) 3.302 33.459 ( 2.505 0.906 2.121) 3.405 33.732 ( 1.219 0.904 -6.703) 6.873 34.346 ( -0.140 -1.575 8.638) 8.782 34.863 ( -1.155 0.485 -4.605) 4.773 35.751 ( 2.367 1.202 1.536) 3.067 35.979 ( 1.046 -1.487 -1.096) 2.122 36.824 ( -0.984 -0.327 2.802) 2.988 37.026 ( -0.860 -2.079 -2.555) 3.405 42.644 ( 11.149 8.455 0.312) 13.996 42.860 ( 14.226 7.958 -0.246) 16.302 43.271 ( 8.308 -3.557 0.405) 9.046 43.871 ( 13.688 -13.642 0.014) 19.325 45.191 ( -7.256 4.485 -0.099) 8.531 45.622 ( -15.149 2.041 2.295) 15.457 45.843 ( -8.873 1.539 -3.055) 9.509 46.351 ( -14.890 -6.701 0.594) 16.339 54.763 ( 47.577 34.528 0.124) 58.786 56.746 ( 66.473 22.717 2.661) 70.298 57.963 ( 61.552 14.068 12.043) 64.278 61.123 ( 5.467 22.360 -16.140) 28.113 65.351 ( -19.167 13.611 -11.569) 26.200 66.500 ( -25.964 -19.330 3.913) 32.605 71.505 ( -11.856 -27.275 3.798) 29.982 72.383 ( 1.717 -14.396 -18.465) 23.477 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 6.768 -2.142 3.979) 8.137 2.020 ( 7.369 8.037 -3.895) 11.579 2.282 ( 4.130 -3.239 5.293) 7.453 2.557 ( 7.795 8.979 -3.023) 12.269 2.876 ( 1.442 0.787 4.134) 4.448 3.155 ( -6.737 -5.197 -3.892) 9.356 3.345 ( 2.670 -1.472 0.742) 3.138 3.654 ( 6.323 5.364 2.773) 8.743 3.752 ( 1.178 0.140 0.732) 1.394 3.938 ( 2.404 6.397 -2.346) 7.225 4.053 ( -2.295 -0.202 -0.468) 2.351 4.349 ( -0.354 -2.187 -4.223) 4.769 4.490 ( 1.896 3.545 0.246) 4.027 4.746 ( -0.299 0.450 1.818) 1.897 4.803 ( -0.515 2.934 0.870) 3.103 5.092 ( -3.279 2.245 -0.719) 4.039 5.432 ( 14.171 9.034 -1.728) 16.894 5.715 ( 12.965 8.804 -1.073) 15.708 5.862 ( 3.219 -6.215 1.651) 7.191 6.034 ( -2.773 1.762 1.219) 3.505 6.139 ( -3.723 -0.502 2.304) 4.406 6.358 ( 8.600 3.944 1.467) 9.575 6.798 ( -4.969 -6.089 -1.791) 8.061 7.292 ( -1.097 -2.815 1.340) 3.305 7.548 ( -5.333 2.947 2.553) 6.607 7.911 ( 3.651 -2.461 0.629) 4.448 7.975 ( -3.775 9.160 -1.818) 10.073 8.219 ( 6.719 1.140 -3.784) 7.795 8.944 ( -2.205 -0.953 0.660) 2.491 10.168 ( 3.923 -1.568 0.785) 4.297 10.516 ( -18.964 -13.112 0.143) 23.056 11.153 ( -10.948 -11.606 -0.806) 15.975 13.197 ( 33.810 27.007 0.426) 43.274 14.446 ( 23.323 17.637 2.582) 29.354 15.147 ( -8.927 2.366 -5.740) 10.874 15.437 ( 4.753 1.703 -0.528) 5.076 27.006 ( 0.546 -0.011 -0.003) 0.546 27.035 ( 0.196 0.198 0.535) 0.603 27.051 ( 0.478 -0.046 -0.156) 0.505 27.156 ( -0.068 -0.804 -0.454) 0.925 27.457 ( -1.015 0.144 0.197) 1.044 27.585 ( -2.681 -1.658 -0.246) 3.162 33.467 ( 1.358 1.533 2.653) 3.352 33.713 ( 0.637 1.478 -6.615) 6.808 34.390 ( 0.547 -1.983 8.016) 8.276 34.832 ( -1.318 0.512 -4.642) 4.853 35.762 ( 2.332 1.256 1.495) 3.041 35.996 ( -0.686 -0.410 -1.096) 1.356 36.832 ( -0.089 -0.960 3.031) 3.181 37.045 ( -0.944 -2.009 -2.884) 3.639 42.634 ( 10.654 9.141 -0.031) 14.037 42.896 ( 14.305 9.039 0.400) 16.926 43.343 ( 0.098 1.901 -0.224) 1.917 44.104 ( -1.907 -2.659 0.337) 3.290 45.118 ( 0.502 -1.254 0.664) 1.506 45.471 ( -2.788 -3.313 -0.522) 4.362 45.782 ( -7.154 -3.299 -0.748) 7.914 46.306 ( -12.872 -8.794 0.228) 15.591 54.786 ( 51.153 37.122 0.452) 63.205 56.790 ( 64.437 62.885 3.585) 90.109 58.503 ( 14.822 -11.136 -0.725) 18.553 60.307 ( -33.241 53.101 -0.932) 62.654 65.075 ( -4.589 1.255 -1.270) 4.924 66.526 ( -25.279 -22.951 -2.748) 34.254 71.830 ( -4.973 -24.076 5.675) 25.231 72.618 ( 2.672 -14.690 -17.336) 22.880 ======================= Grid point 231 (110/172) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.140 9.330 0.329) 11.174 2.082 ( 6.160 2.261 0.793) 6.610 2.310 ( -0.259 2.274 2.882) 3.681 2.439 ( 4.731 12.990 0.322) 13.828 2.940 ( 2.459 -2.668 -1.116) 3.796 3.110 ( -10.400 -3.061 -2.070) 11.037 3.432 ( 7.564 -0.781 -0.016) 7.604 3.649 ( -0.942 0.091 1.034) 1.402 3.732 ( 4.667 6.325 3.165) 8.473 3.869 ( 5.368 6.265 -0.181) 8.252 4.053 ( -3.176 -3.176 -1.838) 4.853 4.376 ( 0.106 -2.165 -3.891) 4.453 4.481 ( 4.299 2.578 -0.322) 5.023 4.719 ( 0.774 4.094 1.254) 4.351 4.747 ( -3.999 0.520 1.739) 4.392 5.014 ( -4.824 1.947 -0.895) 5.279 5.489 ( 13.932 5.078 -2.124) 14.979 5.712 ( 13.946 12.203 -0.559) 18.540 5.928 ( -1.984 -1.404 3.084) 3.926 5.966 ( -1.497 4.525 0.357) 4.779 6.122 ( -5.452 -3.676 3.548) 7.472 6.410 ( 10.324 4.166 1.715) 11.264 6.679 ( -17.790 3.027 -3.287) 18.343 7.306 ( -2.151 -0.024 1.397) 2.565 7.364 ( -10.056 9.560 -0.593) 13.888 7.637 ( -19.476 9.994 0.827) 21.907 7.910 ( -1.901 3.696 3.414) 5.379 8.058 ( 0.236 8.335 -5.858) 10.190 9.351 ( 24.112 -19.550 -0.219) 31.043 10.453 ( 15.903 -14.465 1.112) 21.526 10.512 ( -16.766 -13.972 0.631) 21.833 11.233 ( -6.252 -12.042 -1.580) 13.660 13.191 ( 35.319 25.974 -0.614) 43.846 14.401 ( 14.818 19.218 3.162) 24.472 14.864 ( -16.569 11.015 -4.740) 20.453 15.334 ( -6.548 9.812 -0.531) 11.808 27.012 ( 0.539 0.080 0.049) 0.547 27.031 ( -0.513 0.100 0.467) 0.701 27.058 ( 1.169 0.469 -0.171) 1.271 27.144 ( -1.771 0.620 -0.423) 1.923 27.474 ( 1.246 -1.876 0.280) 2.270 27.586 ( -2.205 -2.196 -0.304) 3.127 33.451 ( 0.073 2.080 3.381) 3.970 33.684 ( 0.638 1.672 -6.953) 7.179 34.441 ( 0.414 -1.915 8.010) 8.246 34.805 ( -0.788 0.328 -5.109) 5.180 35.772 ( 2.276 1.188 1.756) 3.111 35.974 ( -2.109 0.739 -1.243) 2.558 36.858 ( 0.510 -1.140 3.259) 3.490 37.056 ( -0.857 -1.396 -3.246) 3.636 42.614 ( 10.009 8.884 -0.040) 13.383 42.904 ( 11.250 10.311 0.327) 15.264 43.231 ( -4.820 6.469 0.021) 8.067 43.906 ( -17.326 9.245 0.024) 19.638 45.235 ( 7.846 -5.845 0.815) 9.818 45.658 ( 2.704 -9.505 -0.040) 9.883 45.775 ( 1.502 -7.251 -1.044) 7.478 46.323 ( -10.580 -10.852 -0.049) 15.155 54.826 ( 58.112 40.087 0.594) 70.599 56.469 ( 54.186 65.629 1.340) 85.118 58.388 ( -48.679 6.515 -3.399) 49.231 58.834 ( -42.121 67.274 1.956) 79.396 65.206 ( 11.163 -11.524 5.159) 16.853 66.620 ( -22.236 -26.435 -11.310) 36.348 72.131 ( 0.491 -15.299 8.662) 17.588 72.832 ( 3.169 -10.125 -14.913) 18.302 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.791 10.625 5.415) 12.852 2.057 ( 3.730 8.081 -0.949) 8.951 2.215 ( 2.229 11.179 0.316) 11.403 2.339 ( 3.897 5.662 -0.184) 6.876 2.905 ( -6.521 3.956 -3.221) 8.279 3.042 ( -7.644 -1.909 -1.737) 8.068 3.520 ( 7.857 2.302 -0.097) 8.188 3.596 ( 0.869 4.743 -1.690) 5.109 3.758 ( 3.896 -1.705 5.415) 6.885 3.876 ( 10.609 5.694 3.174) 12.451 4.055 ( -3.283 -2.566 -3.586) 5.498 4.387 ( -4.796 -1.394 -5.354) 7.322 4.502 ( 5.594 2.328 0.905) 6.127 4.614 ( -4.757 6.477 4.519) 9.220 4.705 ( -1.860 0.872 0.493) 2.112 4.893 ( -7.382 3.345 -2.392) 8.450 5.559 ( 13.261 8.195 0.859) 15.612 5.657 ( 8.129 10.505 -0.209) 13.284 5.809 ( -3.713 11.206 0.890) 11.838 5.951 ( -2.131 -4.088 2.723) 5.354 6.097 ( -9.427 -3.601 3.590) 10.711 6.383 ( -11.555 4.097 -7.918) 14.594 6.479 ( 12.246 5.256 2.646) 13.587 6.964 ( -20.747 13.664 -1.163) 24.870 7.235 ( -7.202 1.147 6.589) 9.828 7.416 ( 0.180 4.013 -4.289) 5.876 7.826 ( -1.684 3.047 4.576) 5.749 8.019 ( 2.208 0.578 -5.595) 6.043 9.956 ( 23.828 -18.945 0.050) 30.442 10.527 ( -19.247 -16.571 -0.893) 25.413 10.909 ( 14.853 -14.886 4.609) 21.528 11.387 ( -1.310 -13.539 -4.161) 14.224 13.219 ( 38.383 26.029 -1.561) 46.403 14.047 ( -25.265 21.080 0.283) 32.906 14.553 ( 7.582 17.376 -0.685) 18.970 14.983 ( -14.438 17.353 -1.766) 22.643 27.016 ( 0.138 0.293 0.322) 0.456 27.022 ( -0.191 0.204 0.126) 0.306 27.062 ( 1.097 0.721 -0.012) 1.313 27.107 ( -1.762 0.876 -0.501) 2.031 27.532 ( 1.663 -2.668 0.603) 3.201 27.601 ( -1.479 -2.697 -0.642) 3.142 33.416 ( -0.843 2.289 4.056) 4.733 33.658 ( 1.130 1.470 -7.606) 7.829 34.478 ( -0.862 -1.151 8.577) 8.697 34.792 ( 0.513 -0.119 -5.875) 5.899 35.781 ( 1.518 1.245 2.499) 3.178 35.928 ( -1.918 1.265 -1.819) 2.930 36.884 ( 0.318 -0.741 3.429) 3.522 37.058 ( -0.448 -0.477 -3.494) 3.554 42.589 ( 8.191 8.444 0.616) 11.780 42.798 ( -1.022 10.429 -1.405) 10.573 43.112 ( 4.823 7.800 2.187) 9.428 43.516 ( -17.498 10.872 -1.020) 20.626 45.442 ( 8.801 -5.924 0.789) 10.639 45.655 ( -7.500 -2.490 0.015) 7.902 46.120 ( 13.548 -14.568 -0.852) 19.912 46.386 ( -9.288 -11.848 -0.303) 15.057 54.928 ( 67.924 42.539 1.426) 80.158 56.054 ( 44.902 61.308 -0.502) 75.994 56.976 ( -72.440 53.443 -0.310) 90.021 57.503 ( -59.293 40.860 -3.509) 72.094 65.635 ( 15.579 -17.249 10.156) 25.365 66.798 ( -15.610 -27.717 -22.535) 38.984 72.343 ( 3.431 -6.430 11.047) 13.235 72.945 ( 2.498 -2.002 -12.574) 12.975 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.760 12.671 9.064) 16.027 1.923 ( 3.890 15.416 3.994) 16.394 2.067 ( -2.580 6.445 -4.511) 8.279 2.283 ( 2.527 7.081 -5.858) 9.531 2.720 ( 0.177 13.270 4.280) 13.945 2.951 ( -7.678 -0.462 -6.721) 10.214 3.491 ( -6.557 6.333 -0.527) 9.131 3.542 ( 5.553 6.063 -2.710) 8.657 3.820 ( -1.785 -1.784 5.257) 5.831 3.948 ( 18.004 8.000 5.041) 20.336 4.046 ( -3.659 -0.478 -3.035) 4.778 4.202 ( -13.065 1.794 -4.554) 13.952 4.531 ( 2.459 1.091 4.376) 5.137 4.547 ( 4.352 1.587 1.328) 4.819 4.661 ( -3.597 0.967 -0.827) 3.816 4.793 ( -0.057 1.315 -2.537) 2.858 5.468 ( -2.599 15.824 0.813) 16.057 5.521 ( 3.238 15.134 -1.401) 15.540 5.677 ( 8.628 2.945 8.408) 12.402 5.936 ( -12.664 -6.067 -2.430) 14.251 6.139 ( 0.977 -5.636 0.964) 5.801 6.302 ( 1.259 -2.307 -5.274) 5.892 6.538 ( 2.717 5.536 2.225) 6.556 6.598 ( -0.657 8.087 -0.764) 8.149 7.155 ( -5.325 0.892 6.094) 8.142 7.388 ( 3.984 2.776 -4.785) 6.817 7.784 ( -1.808 0.927 5.693) 6.045 8.036 ( 0.870 -0.992 -5.790) 5.939 10.444 ( 3.098 -14.729 3.634) 15.483 10.615 ( -4.493 -18.758 -3.937) 19.686 11.241 ( 5.359 -10.727 7.221) 13.997 11.578 ( -4.553 -13.068 -7.616) 15.796 13.173 ( -13.868 28.175 1.993) 31.466 13.374 ( 17.798 22.200 -8.045) 29.570 14.325 ( -9.862 19.556 5.294) 22.533 14.565 ( 8.961 20.986 -6.138) 23.630 27.003 ( -0.494 0.712 0.602) 1.056 27.026 ( 0.795 0.153 -0.373) 0.891 27.058 ( -0.162 0.542 0.344) 0.661 27.082 ( -0.112 0.658 -0.630) 0.918 27.586 ( -0.148 -2.562 1.083) 2.786 27.636 ( 0.165 -2.866 -1.136) 3.087 33.376 ( -1.077 2.084 4.475) 5.053 33.644 ( 1.923 0.988 -8.324) 8.600 34.479 ( -2.647 0.061 9.007) 9.388 34.804 ( 1.963 -0.598 -6.292) 6.618 35.768 ( -0.924 1.490 3.303) 3.739 35.896 ( 0.662 1.163 -2.442) 2.785 36.896 ( -0.435 -0.130 3.393) 3.423 37.052 ( 0.356 0.433 -3.431) 3.476 42.513 ( -1.258 7.719 2.430) 8.190 42.637 ( 2.062 7.531 -3.517) 8.564 43.039 ( -0.998 8.227 5.341) 9.860 43.224 ( -0.346 8.985 -3.391) 9.610 45.569 ( -2.518 -2.326 1.889) 3.913 45.645 ( 2.258 -2.690 -1.506) 3.821 46.443 ( -4.070 -12.051 0.633) 12.735 46.490 ( 4.049 -11.298 -1.501) 12.095 54.921 ( 0.566 42.273 8.924) 43.209 55.331 ( -15.351 50.289 -8.272) 53.226 55.724 ( 31.204 59.432 6.099) 67.402 56.168 ( -15.574 40.888 -15.939) 46.566 66.074 ( 5.094 -19.047 14.378) 24.401 67.028 ( -6.841 -21.923 -31.851) 39.267 72.446 ( 3.206 0.934 10.889) 11.389 72.906 ( 0.946 7.308 -10.805) 13.079 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 3.459 15.924 7.936) 18.125 1.640 ( -5.997 17.657 12.721) 22.573 1.920 ( -1.783 7.236 -11.383) 13.606 2.166 ( -1.430 5.942 -5.337) 8.115 2.557 ( 16.121 18.706 7.826) 25.904 2.897 ( -1.827 -1.584 -10.283) 10.563 3.216 ( -11.630 7.443 1.210) 13.860 3.515 ( 3.059 3.560 -2.016) 5.108 3.797 ( -2.613 1.315 1.009) 3.094 3.955 ( -1.645 2.226 -1.261) 3.042 4.043 ( 13.827 7.767 3.882) 16.328 4.199 ( 6.102 -2.133 -2.061) 6.785 4.498 ( -5.233 3.110 -0.164) 6.090 4.583 ( 0.145 -3.258 0.153) 3.264 4.655 ( 4.142 -0.290 5.297) 6.730 4.839 ( 4.878 -2.580 -1.527) 5.725 5.159 ( -5.421 12.101 -0.983) 13.296 5.350 ( 5.907 14.450 -0.745) 15.629 5.767 ( 9.167 3.691 7.338) 12.308 5.918 ( -6.960 -8.211 -3.371) 11.279 6.178 ( -3.173 -2.477 -0.340) 4.040 6.384 ( -3.019 4.559 0.751) 5.520 6.424 ( 3.246 -5.599 -0.700) 6.510 6.692 ( 15.364 1.062 -0.288) 15.403 7.092 ( -2.792 1.563 4.262) 5.330 7.406 ( 5.717 1.362 -3.496) 6.838 7.771 ( -1.730 -0.738 7.028) 7.275 8.044 ( -0.684 -0.901 -5.739) 5.849 10.551 ( -17.576 -16.808 1.650) 24.375 10.830 ( -7.590 -2.900 0.187) 8.128 11.455 ( 1.184 -11.301 3.646) 11.934 11.589 ( -11.322 -6.810 -6.452) 14.704 12.439 ( -22.858 18.922 -0.007) 29.674 13.503 ( 47.408 22.560 -10.449) 53.532 13.846 ( -12.201 16.094 2.724) 20.379 14.455 ( 23.542 21.233 -4.909) 32.081 26.989 ( -0.126 0.666 0.560) 0.879 27.032 ( 0.905 0.364 -0.699) 1.200 27.046 ( -0.840 0.104 0.343) 0.913 27.076 ( 0.706 0.712 -0.259) 1.036 27.615 ( -1.546 -2.381 0.906) 2.980 27.682 ( 0.419 -2.181 -0.989) 2.431 33.343 ( -0.485 1.597 4.516) 4.814 33.648 ( 2.752 0.469 -8.787) 9.219 34.444 ( -3.755 1.097 9.187) 9.986 34.833 ( 2.602 -0.689 -6.245) 6.800 35.729 ( -2.137 1.331 3.116) 4.006 35.894 ( 2.252 1.306 -2.001) 3.283 36.890 ( -1.063 0.279 3.136) 3.323 37.044 ( 1.135 1.016 -3.115) 3.467 42.382 ( -3.226 3.893 1.889) 5.397 42.567 ( 2.307 5.300 -2.247) 6.201 42.894 ( -2.841 4.701 2.872) 6.199 43.168 ( 12.029 9.828 -0.714) 15.550 45.551 ( -4.096 -2.051 1.044) 4.698 45.702 ( 2.909 0.138 -0.964) 3.068 46.512 ( -10.805 -10.791 -0.194) 15.271 46.709 ( 3.828 -7.223 -0.437) 8.186 53.731 ( -47.923 31.079 0.697) 57.123 54.425 ( -21.470 37.747 0.148) 43.426 55.269 ( 42.688 51.894 3.027) 67.264 56.376 ( 118.459 34.288 -23.986) 125.633 66.401 ( -7.920 -22.070 11.246) 26.006 67.175 ( -3.162 -8.878 -29.461) 30.932 72.401 ( -1.363 8.857 6.675) 11.174 72.714 ( -0.277 14.703 -9.500) 17.507 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 10.188 -0.000 8.039) 12.978 1.930 ( 13.078 -0.000 9.565) 16.202 2.155 ( 5.267 -0.000 -9.056) 10.476 2.463 ( 9.964 -0.000 -4.300) 10.852 3.017 ( -0.242 0.000 2.791) 2.801 3.062 ( -2.524 0.000 1.195) 2.792 3.432 ( -7.106 0.000 5.725) 9.125 3.469 ( 1.968 -0.000 -4.924) 5.303 3.785 ( 6.798 -0.000 0.949) 6.864 4.196 ( -1.980 0.000 1.923) 2.760 4.214 ( -0.310 0.000 -5.166) 5.175 4.343 ( 6.297 -0.000 -4.080) 7.503 4.567 ( -0.744 0.000 3.062) 3.151 4.713 ( -0.228 0.000 1.516) 1.533 5.039 ( 17.686 -0.000 2.725) 17.895 5.133 ( 4.500 -0.000 -3.300) 5.580 5.324 ( -2.425 0.000 2.306) 3.346 5.708 ( 3.024 -0.000 -3.833) 4.882 5.891 ( 9.018 -0.000 -1.358) 9.119 5.998 ( 12.040 -0.000 0.473) 12.049 6.190 ( -3.924 0.000 1.901) 4.360 6.336 ( 1.625 -0.000 0.240) 1.642 6.670 ( 26.108 -0.000 -2.143) 26.195 6.948 ( 21.610 -0.000 1.028) 21.634 7.234 ( -4.349 0.000 4.084) 5.967 7.650 ( -0.745 0.000 1.980) 2.115 8.009 ( 8.221 -0.000 6.568) 10.522 8.073 ( 10.991 -0.000 -11.232) 15.715 9.844 ( -28.668 0.000 -2.047) 28.741 10.163 ( -25.439 0.000 3.194) 25.639 10.724 ( -21.968 0.000 -1.457) 22.016 10.758 ( -14.547 0.000 0.206) 14.549 13.849 ( 25.943 -0.000 8.932) 27.438 14.771 ( 18.642 -0.000 -4.118) 19.092 14.915 ( 21.734 -0.000 8.008) 23.162 15.091 ( 22.607 -0.000 -19.354) 29.760 27.001 ( 1.689 -0.000 0.077) 1.691 27.018 ( 0.213 -0.000 -0.135) 0.252 27.055 ( -0.419 0.000 0.944) 1.033 27.096 ( 1.664 -0.000 -0.875) 1.880 27.535 ( -3.305 0.000 1.222) 3.524 27.566 ( -3.675 0.000 -1.432) 3.944 33.476 ( 3.182 -0.000 1.457) 3.500 33.745 ( 1.418 -0.000 -6.282) 6.440 34.320 ( -0.079 0.000 9.108) 9.108 34.870 ( -1.401 0.000 -4.696) 4.901 35.778 ( 2.802 -0.000 1.771) 3.315 35.946 ( 1.817 -0.000 -1.366) 2.274 36.823 ( -1.258 0.000 2.500) 2.798 36.985 ( -1.090 0.000 -2.147) 2.408 42.840 ( 14.028 -0.000 1.277) 14.086 43.019 ( 18.050 -0.000 -3.588) 18.403 43.221 ( 9.814 -0.000 3.735) 10.501 43.537 ( 16.313 -0.000 -0.913) 16.339 45.317 ( -9.268 0.000 -2.158) 9.516 45.569 ( -13.002 0.000 4.686) 13.821 45.982 ( -15.984 0.000 -5.601) 16.937 46.177 ( -19.305 0.000 2.633) 19.484 55.780 ( 51.095 -0.000 -3.810) 51.237 56.155 ( 62.465 -0.000 2.895) 62.532 59.197 ( 82.679 -0.000 66.002) 105.792 61.195 ( 30.877 -0.000 -77.154) 83.103 65.787 ( -38.301 0.000 3.267) 38.440 66.001 ( -19.355 0.000 -10.719) 22.125 70.934 ( -16.339 0.000 8.612) 18.470 72.109 ( 0.855 -0.000 -20.507) 20.524 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 9.207 0.319 8.138) 12.292 2.131 ( 8.845 -4.612 8.551) 13.139 2.192 ( 7.088 2.494 -5.591) 9.366 2.585 ( 8.039 -2.273 -5.624) 10.071 2.977 ( -7.212 2.402 0.930) 7.658 3.015 ( -4.265 -2.215 0.151) 4.808 3.335 ( -2.300 2.028 3.774) 4.862 3.557 ( -0.954 -6.814 -2.427) 7.296 3.828 ( 4.732 2.916 1.495) 5.756 4.121 ( -2.950 3.444 -1.446) 4.759 4.236 ( 0.105 -1.910 -1.831) 2.648 4.326 ( 6.371 8.558 -3.012) 11.086 4.564 ( -0.751 0.267 2.505) 2.629 4.717 ( -1.491 -1.263 1.629) 2.544 5.013 ( 7.111 10.030 -2.182) 12.487 5.171 ( -6.218 1.724 2.653) 6.977 5.509 ( 11.715 -10.824 -0.963) 15.979 5.756 ( 3.577 -0.770 -1.558) 3.977 5.834 ( 6.702 10.349 -0.250) 12.332 6.113 ( 1.335 1.218 0.115) 1.811 6.186 ( 0.416 0.310 0.916) 1.053 6.474 ( 3.922 -11.571 -0.901) 12.251 6.751 ( 26.930 20.060 -0.249) 33.580 7.215 ( -0.453 -1.398 2.530) 2.926 7.507 ( 23.358 -18.830 -0.189) 30.004 7.616 ( -3.038 -1.113 3.348) 4.656 8.114 ( 8.377 0.591 7.242) 11.089 8.193 ( 12.264 1.434 -11.520) 16.887 9.312 ( -28.012 16.445 -0.706) 32.490 10.025 ( -26.314 -16.058 1.601) 30.868 10.338 ( -13.745 10.403 -0.277) 17.240 10.755 ( -14.624 -13.046 -0.583) 19.606 13.985 ( 24.957 18.308 5.178) 31.383 14.915 ( 17.007 7.877 1.390) 18.794 15.116 ( 10.591 -0.246 -5.345) 11.866 15.378 ( 14.657 -5.049 -5.238) 16.363 27.012 ( 0.973 0.500 -0.097) 1.099 27.035 ( 1.408 -0.706 -0.086) 1.578 27.048 ( -0.416 0.335 0.790) 0.954 27.121 ( 1.275 -0.908 -0.646) 1.693 27.484 ( -2.965 1.189 0.498) 3.234 27.536 ( -3.371 -1.374 -0.622) 3.694 33.508 ( 2.650 0.810 1.497) 3.149 33.744 ( 0.560 0.462 -5.764) 5.810 34.345 ( 0.866 -0.785 8.498) 8.578 34.841 ( -1.981 0.099 -4.629) 5.036 35.804 ( 2.552 1.069 1.658) 3.226 35.971 ( 1.097 -0.819 -1.425) 1.976 36.814 ( -0.758 -0.156 2.539) 2.655 36.980 ( -1.219 -1.505 -2.199) 2.930 42.936 ( 13.904 8.230 0.291) 16.160 43.195 ( 19.252 7.187 -1.793) 20.628 43.325 ( 7.340 -0.886 1.983) 7.655 43.834 ( 13.269 -10.725 -0.042) 17.062 45.169 ( -7.273 3.603 -0.772) 8.153 45.435 ( -15.314 -2.526 2.940) 15.797 45.744 ( -12.365 3.221 -3.839) 13.342 46.027 ( -18.619 -8.053 1.193) 20.321 55.992 ( 57.154 36.192 -0.755) 67.654 57.242 ( 52.904 -25.788 1.617) 58.877 59.575 ( 59.264 58.259 31.521) 88.882 61.338 ( -0.681 6.254 -28.547) 29.232 65.271 ( -23.824 7.442 -8.245) 26.286 65.885 ( -25.432 -13.854 -0.780) 28.971 70.961 ( -11.349 -22.018 10.335) 26.841 72.162 ( 0.271 -10.142 -22.982) 25.122 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 8.481 -0.797 7.114) 11.098 2.184 ( 4.577 3.940 -2.494) 6.534 2.314 ( 6.617 -1.380 7.850) 10.359 2.694 ( 6.265 -0.960 -6.040) 8.755 2.835 ( -9.045 1.632 0.037) 9.191 2.994 ( -6.544 -3.243 -1.627) 7.482 3.339 ( 1.188 -2.603 3.450) 4.482 3.624 ( -3.746 -5.026 -2.221) 6.650 3.825 ( 4.242 4.025 1.236) 5.976 4.031 ( -3.266 2.649 -0.815) 4.284 4.223 ( 6.799 9.470 0.705) 11.680 4.297 ( 0.272 -1.826 -4.517) 4.880 4.556 ( 1.267 1.210 2.283) 2.878 4.716 ( -2.502 -1.265 1.499) 3.180 4.942 ( 6.556 8.733 -3.034) 11.334 5.074 ( -5.136 1.845 1.628) 5.695 5.708 ( 10.412 4.417 -3.109) 11.730 5.785 ( 2.944 0.943 2.223) 3.807 5.856 ( 4.612 -6.137 0.692) 7.708 6.098 ( 2.618 3.206 -0.257) 4.147 6.145 ( -1.413 3.613 0.863) 3.974 6.614 ( -6.924 -6.003 -2.028) 9.386 6.764 ( 26.680 18.690 1.025) 32.591 7.274 ( 4.216 -1.708 0.987) 4.655 7.514 ( -7.115 1.530 3.472) 8.064 7.917 ( 3.949 -2.338 0.146) 4.591 8.077 ( -7.605 12.039 1.962) 14.374 8.336 ( 10.936 0.960 -6.273) 12.644 8.904 ( -1.461 -1.397 0.656) 2.125 9.977 ( -26.842 -17.331 0.209) 31.952 10.192 ( 3.843 -2.200 0.809) 4.502 10.805 ( -12.844 -14.271 -0.958) 19.223 13.978 ( 27.460 21.522 2.033) 34.949 14.924 ( 8.036 11.510 1.783) 14.151 15.135 ( 3.502 6.892 -4.606) 8.999 15.517 ( 4.479 1.826 -1.934) 5.209 27.016 ( 0.715 0.274 -0.035) 0.767 27.039 ( -0.459 0.342 0.574) 0.810 27.062 ( 1.822 -0.216 -0.189) 1.844 27.142 ( -0.175 -0.611 -0.439) 0.772 27.446 ( -1.110 0.097 0.330) 1.162 27.522 ( -2.928 -1.753 -0.365) 3.432 33.516 ( 1.660 1.769 1.989) 3.137 33.727 ( 0.039 0.936 -5.671) 5.748 34.388 ( 1.372 -1.275 8.067) 8.281 34.809 ( -1.973 -0.013 -4.828) 5.216 35.815 ( 2.372 1.379 1.701) 3.229 35.982 ( -0.423 -0.141 -1.478) 1.544 36.822 ( 0.076 -0.890 2.735) 2.877 36.992 ( -1.182 -2.221 -2.482) 3.534 42.942 ( 13.066 10.910 -0.117) 17.023 43.259 ( 16.836 11.595 0.729) 20.455 43.382 ( 1.697 2.181 -0.625) 2.834 44.035 ( -2.951 -2.306 0.489) 3.777 45.103 ( 0.679 -1.757 0.614) 1.981 45.350 ( -4.710 -6.491 -0.169) 8.022 45.628 ( -8.038 -3.250 -1.095) 8.739 45.968 ( -16.397 -10.853 0.090) 19.664 56.108 ( 62.272 38.787 0.073) 73.363 57.945 ( 23.101 1.205 5.234) 23.717 59.191 ( 38.956 63.290 2.165) 74.350 60.719 ( -27.416 44.299 -1.892) 52.131 65.036 ( -3.752 -0.112 -5.169) 6.388 65.826 ( -28.292 -20.599 0.606) 35.001 71.329 ( -4.537 -31.532 11.001) 33.702 72.354 ( 0.766 -16.885 -22.581) 28.206 ======================= Grid point 241 (117/172) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 4.675 6.090 0.274) 7.682 2.178 ( 4.417 1.658 4.449) 6.484 2.379 ( 5.780 1.489 6.703) 8.975 2.624 ( -3.251 8.406 -0.699) 9.040 2.837 ( -3.489 -6.600 -6.413) 9.842 2.953 ( -5.822 -2.610 -0.484) 6.398 3.450 ( 3.848 -6.262 2.190) 7.670 3.611 ( -3.729 0.009 -1.577) 4.049 3.821 ( 3.856 2.810 0.449) 4.792 3.964 ( -3.567 0.295 -0.501) 3.614 4.157 ( 6.509 8.297 1.239) 10.617 4.328 ( -0.531 -2.293 -4.192) 4.808 4.569 ( 3.110 0.972 2.399) 4.046 4.702 ( -2.706 -0.796 0.954) 2.978 4.878 ( 6.740 9.468 -2.001) 11.793 4.986 ( -5.272 2.180 -0.113) 5.706 5.741 ( 14.224 7.297 -2.354) 16.158 5.817 ( -2.476 -3.485 4.127) 5.942 5.999 ( 4.151 -2.510 0.835) 4.922 6.040 ( -5.315 4.362 1.802) 7.108 6.071 ( 5.029 6.904 -0.642) 8.565 6.497 ( -15.375 1.205 -4.630) 16.103 6.802 ( 25.677 16.579 1.477) 30.599 7.295 ( -3.063 2.398 6.325) 7.426 7.420 ( -3.904 7.443 -4.260) 9.423 7.557 ( -21.556 11.449 0.217) 24.409 7.951 ( -1.878 3.975 5.531) 7.066 8.216 ( 0.517 11.732 -6.542) 13.443 9.332 ( 24.974 -19.873 -0.062) 31.916 9.950 ( -25.894 -19.113 -0.167) 32.184 10.451 ( 14.301 -12.689 2.399) 19.269 10.901 ( -10.727 -16.215 -2.288) 19.576 13.987 ( 30.237 21.002 0.248) 36.816 14.658 ( -16.863 16.424 -1.493) 23.587 15.051 ( 11.086 13.606 1.675) 17.631 15.417 ( -4.576 9.912 -2.761) 11.261 27.021 ( 0.594 0.128 0.053) 0.610 27.029 ( -0.516 0.280 0.438) 0.732 27.084 ( 1.991 0.394 -0.284) 2.050 27.129 ( -1.850 0.426 -0.306) 1.923 27.460 ( 0.905 -1.662 0.510) 1.960 27.522 ( -2.152 -2.200 -0.515) 3.120 33.498 ( 0.526 2.594 2.760) 3.824 33.702 ( 0.065 1.152 -6.100) 6.208 34.437 ( 1.057 -1.247 8.133) 8.296 34.783 ( -1.270 -0.362 -5.321) 5.483 35.823 ( 1.938 1.353 2.118) 3.174 35.962 ( -1.380 0.825 -1.780) 2.398 36.849 ( 0.443 -1.325 3.098) 3.399 37.012 ( -0.805 -2.204 -2.980) 3.793 42.913 ( 11.912 11.472 -0.001) 16.538 43.160 ( -3.513 11.376 -0.523) 11.918 43.375 ( 13.671 8.717 0.927) 16.240 43.834 ( -17.498 8.215 -0.146) 19.331 45.236 ( 7.925 -6.657 1.335) 10.436 45.487 ( -5.464 -9.112 -0.928) 10.665 45.684 ( 6.835 -10.486 -0.072) 12.517 45.978 ( -13.658 -13.097 -0.692) 18.935 56.270 ( 69.221 39.941 0.513) 79.919 57.700 ( -28.705 25.727 4.998) 38.870 58.532 ( 26.048 67.066 -3.907) 72.052 59.440 ( -34.706 66.405 0.713) 74.931 65.169 ( 10.239 -10.115 5.062) 15.257 65.894 ( -21.344 -27.452 -8.085) 35.701 71.800 ( -0.415 -27.496 11.845) 29.941 72.613 ( 1.377 -17.253 -20.056) 26.492 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.831 6.155 2.700) 6.772 2.149 ( 2.747 6.848 0.945) 7.439 2.430 ( -1.959 10.300 0.695) 10.508 2.461 ( 6.467 3.010 1.788) 7.354 2.787 ( -10.633 -2.937 0.418) 11.039 2.986 ( 1.714 -1.577 -4.456) 5.027 3.538 ( -5.965 -2.795 1.045) 6.669 3.623 ( 7.678 -0.814 -1.835) 7.936 3.817 ( 2.990 2.933 2.799) 5.038 3.945 ( -2.681 -3.208 -2.038) 4.652 4.127 ( 4.035 4.193 2.915) 6.508 4.315 ( -3.946 1.110 -5.905) 7.188 4.599 ( 2.526 0.737 2.417) 3.572 4.680 ( -1.947 0.266 0.851) 2.142 4.750 ( -1.310 11.296 1.236) 11.438 4.896 ( 0.559 3.620 -2.624) 4.506 5.791 ( -4.212 4.500 1.549) 6.355 5.802 ( 3.945 2.897 1.447) 5.103 5.890 ( -3.960 4.855 2.294) 6.672 5.997 ( 4.719 10.082 -0.968) 11.174 6.020 ( 1.160 0.351 2.689) 2.950 6.332 ( -2.410 2.289 -7.179) 7.911 6.828 ( 9.928 13.968 2.934) 17.386 6.948 ( -10.350 14.076 -2.472) 17.645 7.218 ( -1.916 3.155 7.332) 8.208 7.483 ( 4.409 2.523 -4.555) 6.822 7.852 ( -4.048 3.668 5.011) 7.412 8.085 ( 2.050 5.807 -5.194) 8.056 9.914 ( -1.120 -18.415 1.328) 18.497 9.988 ( 0.381 -20.494 -2.012) 20.596 10.815 ( 4.285 -14.688 5.818) 16.369 11.072 ( -3.636 -17.750 -5.539) 18.947 13.998 ( -13.062 18.360 -0.019) 22.532 14.076 ( 14.858 25.809 -2.844) 29.916 14.900 ( -5.102 15.941 5.759) 17.700 15.158 ( 4.192 16.050 -5.677) 17.533 27.019 ( -0.516 0.314 0.380) 0.714 27.027 ( 0.579 -0.010 0.075) 0.584 27.088 ( -0.611 1.163 0.011) 1.314 27.102 ( 0.615 0.510 -0.556) 0.973 27.503 ( -0.337 -2.499 0.925) 2.686 27.546 ( 0.324 -2.660 -0.939) 2.839 33.459 ( -0.257 2.979 3.507) 4.609 33.677 ( 0.513 1.013 -6.854) 6.948 34.470 ( -0.289 -0.513 8.502) 8.522 34.777 ( 0.111 -0.960 -5.821) 5.901 35.818 ( -0.110 1.535 2.764) 3.164 35.932 ( 0.168 1.086 -2.266) 2.518 36.877 ( -0.129 -1.073 3.441) 3.607 37.033 ( 0.071 -1.632 -3.425) 3.795 42.828 ( -1.152 11.726 1.724) 11.908 42.929 ( 2.052 10.460 -3.145) 11.114 43.347 ( -2.265 10.885 4.931) 12.163 43.525 ( 1.405 9.468 -3.298) 10.124 45.426 ( -1.171 -6.576 2.432) 7.108 45.517 ( 1.242 -5.240 -1.581) 5.613 45.995 ( -5.226 -15.575 1.387) 16.487 46.084 ( 4.959 -13.592 -2.471) 14.678 56.321 ( -11.479 44.025 8.616) 46.306 56.740 ( 16.588 32.332 -10.171) 37.735 57.799 ( 0.151 68.277 2.724) 68.331 57.879 ( -5.357 72.906 -1.026) 73.110 65.475 ( -2.766 -16.936 13.305) 21.715 66.211 ( 4.020 -28.358 -19.866) 34.856 72.186 ( 0.478 -18.178 12.100) 21.842 72.835 ( 1.055 -11.555 -16.936) 20.529 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 3.368 7.504 2.764) 8.677 2.061 ( 1.285 6.268 -0.981) 6.473 2.187 ( -7.809 13.558 2.120) 15.789 2.380 ( -4.916 8.309 -5.562) 11.142 2.797 ( 0.623 -4.113 4.338) 6.010 2.993 ( 6.985 5.558 -2.352) 9.231 3.473 ( -9.053 2.795 0.862) 9.514 3.643 ( 1.233 4.387 -2.996) 5.453 3.795 ( -3.899 2.300 5.482) 7.109 3.982 ( -2.682 -2.225 -3.085) 4.654 4.083 ( -2.450 -0.800 -2.055) 3.296 4.227 ( 4.894 3.471 -0.300) 6.008 4.551 ( -4.451 1.269 -0.117) 4.629 4.638 ( -0.596 3.312 0.335) 3.381 4.679 ( 5.117 1.777 3.925) 6.689 4.883 ( 7.579 3.838 -2.588) 8.880 5.577 ( -13.417 11.051 -0.123) 17.383 5.660 ( -10.687 1.737 -0.281) 10.831 5.838 ( 2.387 6.154 -0.349) 6.610 5.919 ( 12.874 9.221 8.274) 17.867 6.104 ( 3.993 -3.315 -0.714) 5.238 6.303 ( 2.321 1.106 -3.910) 4.679 6.571 ( -3.979 6.768 -1.450) 7.983 6.923 ( 17.345 9.779 0.298) 19.914 7.185 ( 5.403 5.333 5.815) 9.563 7.482 ( 5.332 3.849 -4.626) 8.040 7.775 ( -3.856 1.106 5.220) 6.583 8.040 ( 0.749 1.594 -4.852) 5.162 9.959 ( -24.483 -19.832 -0.015) 31.508 10.497 ( 17.663 -15.383 0.118) 23.423 11.008 ( -12.407 -16.333 3.113) 20.746 11.308 ( 0.665 -12.009 -3.438) 12.509 13.188 ( -35.972 26.468 -0.538) 44.664 14.164 ( 37.263 18.909 -4.164) 41.992 14.430 ( -21.071 19.420 3.599) 28.880 15.044 ( 16.514 15.933 -3.333) 23.188 27.008 ( -0.378 0.442 0.352) 0.680 27.035 ( 0.597 -0.073 0.038) 0.603 27.059 ( -1.218 0.629 0.011) 1.371 27.107 ( 1.797 1.119 -0.491) 2.173 27.531 ( -1.860 -2.759 0.620) 3.385 27.603 ( 1.680 -2.623 -0.657) 3.183 33.414 ( -0.391 2.794 3.999) 4.894 33.663 ( 1.218 0.545 -7.672) 7.787 34.469 ( -1.913 0.569 8.603) 8.831 34.798 ( 1.402 -1.458 -5.794) 6.137 35.779 ( -2.240 1.718 2.505) 3.774 35.930 ( 2.505 0.983 -1.838) 3.259 36.888 ( -0.994 -0.510 3.498) 3.672 37.053 ( 1.018 -0.685 -3.513) 3.722 42.582 ( -8.259 8.643 0.758) 11.978 42.821 ( 2.368 10.334 -2.247) 10.837 43.094 ( -6.444 7.501 2.957) 10.322 43.515 ( 17.529 11.414 -0.996) 20.942 45.428 ( -9.137 -5.376 1.128) 10.661 45.669 ( 7.776 -2.734 -0.314) 8.248 46.093 ( -13.839 -15.087 -0.106) 20.473 46.407 ( 9.281 -11.554 -0.880) 14.846 54.909 ( -67.086 41.425 1.875) 78.868 56.089 ( -43.759 65.676 -1.467) 78.933 57.086 ( 70.967 47.037 -3.439) 85.210 57.371 ( 59.080 44.381 0.279) 73.893 65.670 ( -17.464 -22.089 10.355) 30.002 66.719 ( 17.196 -19.465 -21.169) 33.507 72.414 ( -1.068 -8.631 10.703) 13.791 72.930 ( -0.149 -2.328 -14.055) 14.247 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -14.862 16.952 1.353) 22.585 1.907 ( 5.962 13.274 7.910) 16.562 2.022 ( 3.202 3.865 -4.711) 6.884 2.162 ( -7.172 4.532 -8.276) 11.852 2.836 ( -3.864 -1.168 -1.279) 4.235 3.001 ( 14.917 10.802 3.160) 18.686 3.247 ( -4.374 7.360 3.248) 9.156 3.574 ( -0.754 3.350 -2.185) 4.070 3.743 ( -3.727 -1.816 1.275) 4.337 3.962 ( 0.631 0.031 -1.108) 1.275 4.124 ( 0.858 -0.448 -4.531) 4.633 4.309 ( 6.955 -2.433 3.299) 8.073 4.503 ( -3.769 0.039 -2.181) 4.354 4.558 ( -1.086 3.901 1.058) 4.186 4.734 ( 4.894 0.278 4.596) 6.719 4.928 ( 7.344 3.139 -0.156) 7.988 5.240 ( -9.103 8.018 -1.928) 12.283 5.577 ( -3.875 1.367 -1.805) 4.488 5.747 ( 1.254 4.655 -1.709) 5.115 5.989 ( 11.982 5.402 11.551) 17.497 6.160 ( 1.555 -0.567 -3.120) 3.531 6.317 ( -2.802 -2.434 2.056) 4.243 6.526 ( 9.957 5.586 -3.609) 11.974 7.006 ( 17.375 5.401 -1.035) 18.224 7.175 ( 9.939 9.226 4.100) 14.167 7.489 ( 5.331 2.134 -3.423) 6.685 7.738 ( -3.460 -0.794 5.724) 6.736 8.024 ( -0.370 0.112 -5.007) 5.022 9.982 ( -24.514 -20.048 -0.148) 31.668 10.764 ( -1.296 -1.633 1.914) 2.830 11.035 ( -24.877 -15.051 -1.110) 29.097 11.496 ( 9.813 -9.747 -0.053) 13.831 12.459 ( -23.088 18.166 -0.114) 29.378 13.886 ( -15.704 16.407 0.023) 22.712 14.354 ( 37.177 14.925 -3.953) 40.256 15.001 ( 18.102 15.406 -3.818) 24.075 26.998 ( -0.097 0.487 0.305) 0.583 27.038 ( -0.567 0.121 0.335) 0.669 27.045 ( 0.371 0.150 -0.339) 0.525 27.107 ( 1.691 1.416 -0.408) 2.243 27.551 ( -2.221 -2.759 0.418) 3.567 27.655 ( 0.827 -1.959 -0.496) 2.183 33.379 ( 0.189 2.097 4.085) 4.596 33.667 ( 1.969 -0.069 -8.267) 8.498 34.437 ( -2.802 1.409 8.644) 9.195 34.833 ( 1.796 -1.469 -5.498) 5.968 35.730 ( -2.047 1.386 2.197) 3.307 35.944 ( 2.866 1.298 -1.340) 3.420 36.882 ( -1.448 -0.017 3.383) 3.680 37.066 ( 1.421 0.310 -3.393) 3.691 42.399 ( -4.758 4.223 0.630) 6.393 42.653 ( -4.503 6.394 -0.734) 7.855 43.002 ( 6.174 6.381 1.050) 8.941 43.537 ( 17.862 12.828 0.017) 21.991 45.409 ( -8.455 -5.437 0.761) 10.081 45.762 ( 5.425 0.548 0.084) 5.453 46.153 ( -14.907 -14.148 -0.607) 20.561 46.635 ( 3.551 -7.378 -0.302) 8.194 53.717 ( -32.728 27.385 0.153) 42.674 54.748 ( -29.552 41.608 -0.386) 51.036 56.766 ( 50.532 62.363 2.671) 80.311 58.063 ( 99.007 11.704 -10.426) 100.240 65.813 ( -22.471 -24.868 3.532) 33.703 67.086 ( 12.136 -7.076 -16.707) 21.828 72.456 ( -4.744 1.146 6.428) 8.071 72.861 ( -1.195 7.145 -11.705) 13.765 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 8.166 -0.000 8.628) 11.880 2.185 ( 4.345 -0.000 6.879) 8.137 2.307 ( 9.959 -0.000 -0.932) 10.002 2.631 ( 4.266 -0.000 -7.279) 8.437 2.911 ( -8.664 0.000 0.795) 8.700 2.926 ( -4.785 0.000 -2.128) 5.237 3.316 ( -4.421 0.000 7.116) 8.378 3.504 ( 1.493 -0.000 -5.318) 5.523 3.903 ( 3.624 -0.000 2.357) 4.323 4.148 ( -2.063 0.000 3.610) 4.158 4.160 ( -1.136 0.000 -7.668) 7.752 4.446 ( 1.567 -0.000 -1.883) 2.450 4.558 ( -0.133 0.000 2.358) 2.362 4.684 ( -2.262 0.000 1.213) 2.566 5.091 ( -6.869 0.000 5.622) 8.877 5.174 ( 1.705 -0.000 -5.601) 5.855 5.575 ( 15.193 -0.000 -2.427) 15.386 5.737 ( -2.527 0.000 2.182) 3.338 6.028 ( 5.483 -0.000 -1.721) 5.747 6.157 ( 0.674 -0.000 1.228) 1.401 6.225 ( 7.860 -0.000 -4.540) 9.077 6.384 ( -0.562 0.000 2.721) 2.779 7.233 ( 6.461 -0.000 1.146) 6.562 7.382 ( 28.231 -0.000 -0.682) 28.240 7.524 ( 0.603 -0.000 3.469) 3.521 7.583 ( 17.881 -0.000 0.615) 17.891 8.230 ( 8.027 -0.000 9.082) 12.121 8.333 ( 10.483 -0.000 -11.901) 15.860 9.138 ( -28.210 0.000 -1.478) 28.248 9.535 ( -25.600 0.000 1.619) 25.651 10.307 ( -11.585 0.000 -0.107) 11.585 10.435 ( -12.080 0.000 -0.334) 12.085 14.373 ( 15.287 -0.000 7.295) 16.938 15.049 ( 6.522 -0.000 -9.764) 11.742 15.327 ( 10.213 -0.000 7.500) 12.671 15.496 ( 14.382 -0.000 -7.912) 16.415 27.028 ( 0.601 -0.000 -0.184) 0.628 27.042 ( 0.255 -0.000 -0.142) 0.292 27.055 ( 1.386 -0.000 0.950) 1.681 27.127 ( 0.972 -0.000 -0.716) 1.207 27.462 ( -2.919 0.000 1.128) 3.129 27.483 ( -2.502 0.000 -1.186) 2.769 33.547 ( 2.278 -0.000 1.275) 2.610 33.742 ( -0.191 0.000 -4.999) 5.002 34.367 ( 1.691 -0.000 8.161) 8.335 34.808 ( -2.364 0.000 -4.780) 5.333 35.842 ( 1.962 -0.000 1.832) 2.684 35.976 ( 0.924 -0.000 -1.751) 1.980 36.809 ( -0.466 0.000 2.461) 2.505 36.950 ( -1.148 0.000 -2.077) 2.374 43.183 ( 13.530 -0.000 -0.167) 13.531 43.369 ( 7.051 -0.000 -0.365) 7.061 43.531 ( 18.010 -0.000 0.723) 18.024 43.885 ( 10.449 -0.000 0.272) 10.453 45.116 ( -6.173 0.000 -1.498) 6.352 45.228 ( -13.994 0.000 2.879) 14.287 45.638 ( -10.174 0.000 -5.434) 11.534 45.713 ( -18.832 0.000 3.427) 19.141 56.987 ( 46.959 -0.000 -0.118) 46.959 57.615 ( 51.412 -0.000 0.992) 51.422 60.665 ( 20.670 -0.000 50.941) 54.975 61.315 ( 3.602 -0.000 -43.525) 43.674 64.961 ( -25.976 0.000 4.139) 26.303 65.581 ( -11.804 0.000 -14.051) 18.351 70.672 ( -7.764 0.000 16.356) 18.105 72.028 ( -1.612 0.000 -26.618) 26.667 ======================= Grid point 250 (122/172) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.237 -0.082 8.604) 11.243 2.239 ( 1.202 -0.501 4.929) 5.098 2.425 ( 9.554 0.837 3.132) 10.089 2.652 ( -2.659 -2.773 -8.026) 8.898 2.787 ( -7.263 2.214 -0.738) 7.629 2.897 ( -2.160 -1.106 -2.666) 3.605 3.298 ( -2.323 -2.375 6.454) 7.259 3.533 ( 0.177 -2.632 -4.888) 5.554 3.927 ( 2.958 2.048 1.886) 4.063 4.056 ( -1.570 5.022 -0.770) 5.318 4.214 ( -0.267 -4.168 -1.472) 4.428 4.399 ( 0.147 5.114 -2.384) 5.644 4.573 ( 0.876 -0.496 2.376) 2.581 4.667 ( -2.538 -1.047 1.013) 2.926 5.017 ( -5.376 0.612 4.363) 6.950 5.145 ( 4.407 5.567 -5.513) 8.989 5.706 ( -2.963 -2.070 3.429) 4.983 5.784 ( 7.946 -5.131 -4.053) 10.290 6.050 ( 8.469 4.896 -0.739) 9.810 6.136 ( -1.681 1.599 1.005) 2.529 6.231 ( 4.413 5.778 -0.008) 7.270 6.437 ( -4.594 -4.862 -2.180) 7.036 7.332 ( 8.272 1.851 1.367) 8.586 7.433 ( -0.091 4.642 4.129) 6.213 7.459 ( 19.222 13.951 -0.826) 23.765 7.934 ( 3.547 -0.932 1.097) 3.828 8.181 ( -8.481 13.191 3.024) 15.971 8.462 ( 10.537 -2.381 -6.853) 12.793 8.860 ( 0.028 -4.223 0.930) 4.324 9.386 ( -25.115 -13.895 -0.148) 28.703 10.201 ( 2.358 -1.699 0.302) 2.922 10.427 ( -12.347 -12.096 -0.557) 17.294 14.466 ( 12.837 8.168 5.958) 16.340 15.029 ( -2.011 6.260 -9.022) 11.164 15.374 ( 5.998 5.925 5.674) 10.163 15.610 ( 6.579 2.541 -4.902) 8.589 27.030 ( 0.619 0.427 -0.092) 0.758 27.037 ( -0.546 0.167 0.395) 0.694 27.081 ( 1.908 -0.384 0.178) 1.954 27.134 ( -0.227 -0.034 -0.636) 0.676 27.433 ( -1.355 -0.162 0.819) 1.592 27.469 ( -1.500 -1.026 -0.803) 1.987 33.562 ( 1.448 1.206 1.562) 2.448 33.726 ( -0.662 0.361 -4.757) 4.817 34.407 ( 2.050 -0.529 7.964) 8.240 34.774 ( -2.174 -0.191 -5.127) 5.572 35.859 ( 1.465 0.731 1.962) 2.555 35.978 ( -0.036 0.234 -1.921) 1.935 36.815 ( 0.094 -0.632 2.578) 2.656 36.946 ( -0.893 -1.416 -2.226) 2.785 43.253 ( 11.436 8.265 -0.406) 14.116 43.403 ( -1.567 2.677 0.436) 3.132 43.667 ( 18.713 8.433 -0.348) 20.529 43.970 ( -4.673 -0.045 0.763) 4.735 45.072 ( -0.701 -2.484 0.668) 2.666 45.165 ( -5.158 -7.708 -0.414) 9.284 45.509 ( -6.546 -1.284 0.569) 6.695 45.625 ( -11.496 -8.059 -1.484) 14.118 57.303 ( 46.755 21.769 1.538) 51.597 58.074 ( 6.143 1.838 -0.195) 6.415 60.467 ( 6.640 38.923 23.514) 45.957 61.088 ( -0.138 31.964 -17.055) 36.230 64.876 ( -5.213 -13.084 1.732) 14.191 65.404 ( -12.450 2.055 -8.627) 15.286 70.847 ( -1.685 -24.057 17.854) 30.005 72.063 ( -2.066 -12.564 -27.507) 30.311 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -3.455 3.010 6.575) 8.014 2.284 ( 6.338 -0.527 5.513) 8.417 2.502 ( 7.731 1.927 2.406) 8.323 2.615 ( -6.819 0.748 -3.892) 7.887 2.705 ( -5.334 -1.866 -1.175) 5.771 2.897 ( 1.314 -1.251 -4.622) 4.965 3.355 ( -2.102 -5.926 5.131) 8.116 3.580 ( 2.637 -2.979 -4.684) 6.146 3.925 ( 2.427 2.506 0.756) 3.570 3.959 ( -1.030 4.821 -0.114) 4.931 4.243 ( -2.346 0.259 -0.498) 2.413 4.325 ( 1.024 2.779 -2.367) 3.791 4.599 ( 1.347 -0.418 3.133) 3.436 4.660 ( -1.527 -1.198 0.534) 2.013 4.954 ( -4.132 1.276 1.478) 4.570 5.087 ( 4.188 7.895 -4.167) 9.861 5.720 ( -3.558 -4.239 4.185) 6.938 5.911 ( 4.568 -1.318 -4.310) 6.417 6.052 ( -3.983 5.700 1.187) 7.055 6.098 ( 6.411 2.545 0.061) 6.898 6.159 ( -6.050 1.807 3.223) 7.089 6.418 ( 4.885 3.093 -6.646) 8.809 7.272 ( -4.585 4.323 6.345) 8.942 7.414 ( 10.984 12.986 2.774) 17.233 7.492 ( -17.798 16.281 -3.142) 24.325 7.542 ( 9.341 7.251 -2.719) 12.134 8.022 ( -0.850 7.228 8.281) 11.025 8.401 ( 0.527 10.317 -8.414) 13.324 9.298 ( 0.814 -19.587 1.633) 19.672 9.352 ( -0.434 -18.117 -0.859) 18.142 10.399 ( 3.751 -10.393 2.334) 11.293 10.515 ( -3.972 -16.202 -2.670) 16.894 14.451 ( 2.287 10.198 5.565) 11.840 14.775 ( -2.082 16.541 -8.480) 18.705 15.297 ( -3.000 8.716 6.036) 11.018 15.558 ( 3.324 8.848 -5.316) 10.844 27.027 ( -0.551 0.255 0.308) 0.681 27.031 ( 0.463 0.313 0.101) 0.568 27.106 ( 0.275 -0.270 -0.009) 0.386 27.120 ( -0.066 0.633 -0.566) 0.851 27.439 ( -0.642 -1.444 0.910) 1.824 27.479 ( 0.606 -1.411 -0.880) 1.770 33.548 ( 0.426 2.349 2.250) 3.280 33.703 ( -0.665 0.525 -5.130) 5.200 34.452 ( 1.640 -0.536 8.089) 8.271 34.750 ( -1.350 -0.680 -5.623) 5.823 35.861 ( 0.457 1.099 2.280) 2.573 35.962 ( -0.295 0.782 -2.176) 2.331 36.837 ( 0.206 -1.197 2.935) 3.176 36.964 ( -0.261 -2.235 -2.683) 3.502 43.204 ( -2.022 10.737 0.875) 10.961 43.257 ( 2.984 9.147 -1.541) 9.745 43.700 ( -4.429 10.685 2.394) 11.812 43.788 ( 3.882 6.585 -1.562) 7.802 45.178 ( -0.672 -8.161 2.549) 8.577 45.299 ( 1.602 -9.320 -3.053) 9.937 45.545 ( -6.083 -10.282 3.516) 12.453 45.698 ( 4.892 -9.532 -3.395) 11.239 57.514 ( 7.067 17.552 1.983) 19.025 57.560 ( -7.841 31.355 0.415) 32.323 59.781 ( -16.429 48.683 12.360) 52.846 60.300 ( 17.182 71.466 -9.974) 74.176 65.161 ( 6.846 -3.533 0.823) 7.747 65.324 ( -2.281 -22.813 -5.125) 23.492 71.340 ( 1.300 -31.670 16.010) 35.511 72.273 ( -1.205 -20.442 -25.167) 32.446 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -6.715 3.298 4.024) 8.495 2.327 ( 4.068 4.618 0.547) 6.179 2.465 ( -6.182 4.016 -1.195) 7.468 2.598 ( -0.673 4.370 -1.629) 4.712 2.645 ( 0.419 -3.154 6.863) 7.564 2.983 ( 5.959 -4.095 -4.613) 8.576 3.405 ( -5.066 -4.641 2.292) 7.243 3.692 ( 7.568 -2.804 -3.507) 8.799 3.880 ( -2.678 0.353 -1.381) 3.034 3.919 ( 3.372 4.409 1.927) 5.875 4.149 ( -7.096 3.132 0.425) 7.768 4.315 ( 0.455 1.178 -2.947) 3.206 4.605 ( -2.300 0.486 1.686) 2.893 4.678 ( 1.759 -0.442 1.524) 2.368 4.836 ( -5.976 6.729 -1.100) 9.067 5.002 ( 2.646 5.302 -0.621) 5.958 5.680 ( -11.571 3.559 0.113) 12.107 5.858 ( -5.059 -1.015 3.246) 6.096 5.968 ( -1.202 3.283 1.171) 3.687 6.078 ( 3.258 2.622 -1.301) 4.380 6.133 ( 1.864 2.117 -0.702) 2.907 6.456 ( 10.180 6.387 -3.525) 12.524 6.865 ( -21.200 13.688 -0.620) 25.243 7.179 ( 0.366 5.019 5.611) 7.537 7.440 ( 13.840 9.053 0.394) 16.542 7.632 ( 13.600 4.921 -3.947) 14.992 7.892 ( -1.106 8.028 7.171) 10.821 8.233 ( 1.588 10.238 -6.054) 11.999 9.318 ( -25.040 -19.612 0.360) 31.809 9.952 ( 25.028 -18.601 -0.227) 31.184 10.502 ( -13.799 -14.175 1.332) 19.828 10.857 ( 10.764 -15.521 -1.427) 18.942 13.994 ( -29.737 22.888 0.113) 37.526 14.674 ( 21.002 12.727 -2.424) 24.677 14.994 ( -17.118 15.052 3.313) 23.034 15.458 ( 7.201 10.107 -3.538) 12.904 27.017 ( -0.489 0.245 0.205) 0.584 27.033 ( 0.352 0.043 0.259) 0.439 27.081 ( -1.853 0.638 -0.215) 1.971 27.133 ( 1.941 0.338 -0.401) 2.011 27.455 ( -1.191 -1.825 0.583) 2.256 27.526 ( 2.395 -2.049 -0.571) 3.204 33.509 ( -0.311 2.987 3.012) 4.253 33.680 ( -0.329 0.431 -5.877) 5.902 34.481 ( 0.349 0.165 8.177) 8.186 34.749 ( 0.011 -1.439 -5.821) 5.996 35.834 ( -1.778 1.702 2.049) 3.203 35.954 ( 1.460 0.515 -1.831) 2.398 36.860 ( -0.488 -1.122 3.242) 3.465 37.001 ( 0.766 -2.384 -3.099) 3.984 42.910 ( -11.470 11.563 0.081) 16.287 43.186 ( 5.962 11.644 -1.666) 13.187 43.346 ( -16.059 8.377 2.119) 18.236 43.844 ( 17.397 8.448 -0.452) 19.345 45.234 ( -8.169 -6.499 1.404) 10.533 45.505 ( 7.539 -8.868 -1.774) 11.774 45.628 ( -9.178 -11.569 1.687) 14.864 46.013 ( 13.866 -12.467 -1.514) 18.708 56.237 ( -68.546 40.677 1.456) 79.720 57.838 ( 49.117 14.372 1.932) 51.213 58.379 ( -51.950 71.571 -0.289) 88.438 59.488 ( 39.285 72.844 -0.790) 82.765 65.156 ( -10.807 -7.641 4.915) 14.119 65.974 ( 28.654 -26.925 -9.882) 40.542 71.845 ( 0.167 -26.474 12.944) 29.469 72.559 ( -0.303 -19.785 -20.903) 28.783 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -5.318 -0.065 -0.262) 5.325 2.195 ( -9.957 7.632 -5.294) 13.617 2.335 ( 3.619 11.526 4.899) 13.036 2.427 ( -6.604 7.214 -0.475) 9.792 2.753 ( 0.736 -3.453 4.431) 5.666 3.132 ( 10.961 -2.088 -1.994) 11.335 3.385 ( -7.216 -0.537 1.393) 7.369 3.727 ( 0.150 5.162 -1.056) 5.271 3.790 ( -9.864 6.254 2.181) 11.881 3.913 ( 0.424 -3.857 -3.085) 4.957 4.070 ( 2.909 -1.150 -2.324) 3.897 4.284 ( 0.365 1.499 -0.766) 1.722 4.511 ( -5.584 2.708 -1.318) 6.344 4.689 ( 1.273 2.067 2.398) 3.413 4.740 ( 1.287 1.012 1.829) 2.454 4.995 ( 3.938 1.099 -0.398) 4.108 5.483 ( -10.609 2.484 -1.978) 11.074 5.664 ( -16.542 13.751 1.288) 21.550 5.889 ( -1.811 -0.283 1.912) 2.649 6.119 ( 4.668 -0.213 -2.468) 5.285 6.144 ( 5.117 1.253 4.017) 6.625 6.357 ( -3.340 4.536 0.935) 5.710 6.724 ( 11.240 4.195 -3.093) 12.390 7.147 ( 7.469 5.387 3.269) 9.772 7.473 ( 11.475 5.935 -0.397) 12.924 7.676 ( 5.893 4.191 -2.532) 7.662 7.797 ( 7.936 9.799 5.612) 13.802 8.103 ( 0.664 6.696 -4.613) 8.159 9.339 ( -24.085 -19.929 0.161) 31.262 10.437 ( 2.908 -14.364 0.882) 14.682 10.583 ( -4.075 -14.342 -0.653) 14.924 11.181 ( 7.689 -11.463 -0.189) 13.804 13.189 ( -33.874 26.585 -0.471) 43.063 14.466 ( -23.399 18.447 2.284) 29.883 14.767 ( 23.968 10.709 -2.853) 26.407 15.392 ( 7.850 9.365 -2.350) 12.444 27.009 ( -0.378 0.233 0.179) 0.479 27.039 ( 0.283 -0.153 0.348) 0.475 27.053 ( -1.108 0.467 -0.182) 1.216 27.146 ( 1.864 0.782 -0.487) 2.079 27.471 ( -1.315 -2.004 0.360) 2.424 27.589 ( 2.266 -2.095 -0.368) 3.108 33.461 ( -0.503 2.945 3.595) 4.674 33.666 ( 0.254 0.013 -6.746) 6.750 34.478 ( -1.011 1.147 7.861) 8.009 34.776 ( 1.059 -2.001 -5.359) 5.818 35.781 ( -2.488 1.795 1.582) 3.452 35.970 ( 2.368 0.329 -1.229) 2.688 36.870 ( -1.077 -0.717 3.371) 3.610 37.043 ( 1.405 -1.766 -3.303) 4.000 42.613 ( -9.726 9.124 0.002) 13.336 42.919 ( -12.571 10.068 -0.112) 16.106 43.216 ( 6.035 6.609 0.454) 8.961 43.910 ( 17.242 9.565 -0.122) 19.718 45.230 ( -7.904 -5.393 0.979) 9.619 45.683 ( -11.180 -14.200 -0.953) 18.098 45.724 ( 7.172 -3.364 0.622) 7.946 46.346 ( 10.349 -10.453 -0.717) 14.727 54.812 ( -56.788 39.421 0.956) 69.136 56.534 ( -57.779 69.112 -0.488) 90.084 58.290 ( 44.658 2.265 -0.212) 44.716 58.879 ( 48.551 69.081 0.237) 84.436 65.185 ( -12.460 -12.395 5.423) 18.392 66.680 ( 28.216 -18.500 -12.658) 36.036 72.195 ( -2.770 -17.243 9.277) 19.775 72.789 ( -0.126 -12.214 -16.158) 20.255 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -19.369 12.931 -3.069) 23.490 2.002 ( -0.290 -3.412 -3.844) 5.148 2.170 ( -0.299 12.350 1.147) 12.407 2.251 ( 1.352 10.195 1.259) 10.361 2.748 ( -7.045 -1.247 1.233) 7.260 3.211 ( -0.833 2.394 1.536) 2.964 3.342 ( 9.547 1.268 3.930) 10.402 3.621 ( -1.244 3.045 -1.172) 3.492 3.690 ( -2.105 1.156 -1.942) 3.088 3.951 ( 0.456 -1.966 -1.309) 2.405 4.139 ( 3.231 0.392 -3.280) 4.621 4.322 ( 3.662 -3.217 1.866) 5.219 4.438 ( -3.420 -0.594 -2.564) 4.316 4.637 ( -0.828 6.066 1.091) 6.218 4.766 ( 1.112 -1.308 3.419) 3.826 5.032 ( 2.889 1.466 0.770) 3.330 5.202 ( -14.372 6.514 -0.936) 15.807 5.455 ( -4.693 -2.108 -1.556) 5.375 5.866 ( 0.606 2.452 -0.715) 2.625 6.168 ( 2.129 -0.755 -1.429) 2.674 6.193 ( 5.819 2.903 7.090) 9.621 6.287 ( -2.502 1.294 2.908) 4.049 6.795 ( 12.695 6.060 -2.349) 14.262 7.207 ( 14.349 4.093 -0.505) 14.930 7.523 ( 9.645 3.976 -0.869) 10.468 7.654 ( -1.105 0.715 2.150) 2.520 7.765 ( 16.535 14.760 2.261) 22.279 8.028 ( -0.269 2.212 -4.449) 4.976 9.368 ( -23.489 -19.581 0.166) 30.581 10.487 ( -22.418 -14.282 0.046) 26.581 10.746 ( -0.286 -0.873 0.395) 1.000 11.469 ( 13.696 -11.463 0.346) 17.864 12.462 ( -24.780 18.538 -0.114) 30.947 13.934 ( -17.422 14.840 0.535) 22.892 14.897 ( 23.139 8.259 -2.685) 24.716 15.339 ( 7.326 8.384 -2.685) 11.453 27.002 ( -0.190 0.220 0.163) 0.334 27.035 ( -0.496 0.293 0.185) 0.605 27.048 ( 0.231 -0.208 0.034) 0.313 27.151 ( 1.756 1.253 -0.523) 2.220 27.487 ( -1.596 -2.099 0.251) 2.649 27.639 ( 1.172 -1.512 -0.286) 1.935 33.421 ( -0.100 2.227 3.826) 4.428 33.667 ( 0.952 -0.611 -7.471) 7.556 34.449 ( -1.654 1.863 7.742) 8.133 34.815 ( 1.192 -2.008 -4.887) 5.416 35.731 ( -1.770 1.328 1.481) 2.663 35.990 ( 2.227 0.601 -0.977) 2.505 36.868 ( -1.285 -0.212 3.471) 3.707 37.075 ( 1.404 -0.683 -3.441) 3.779 42.409 ( -5.374 4.764 0.072) 7.182 42.667 ( -7.985 5.501 0.210) 9.698 43.202 ( 7.838 6.049 0.070) 9.902 43.950 ( 16.425 10.991 0.125) 19.763 45.223 ( -7.190 -4.888 0.836) 8.734 45.741 ( -13.407 -12.499 0.196) 18.330 45.839 ( 5.301 -1.082 -0.745) 5.461 46.570 ( 4.432 -6.428 -0.225) 7.811 53.784 ( -25.579 24.211 0.060) 35.220 55.021 ( -37.922 43.439 -0.352) 57.664 58.294 ( 35.381 53.514 2.905) 64.218 59.012 ( 55.994 -2.258 -3.696) 56.161 65.256 ( -13.412 -14.830 3.710) 20.337 67.138 ( 17.305 -6.381 -12.823) 22.464 72.349 ( -5.714 -7.232 4.913) 10.445 72.876 ( -0.336 -1.797 -12.215) 12.351 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 0.649 -0.000 6.876) 6.907 2.250 ( 1.290 -0.000 9.646) 9.732 2.547 ( 7.975 -0.000 -0.421) 7.986 2.584 ( -1.864 0.000 -8.331) 8.537 2.698 ( -8.109 0.000 1.276) 8.208 2.887 ( 0.802 -0.000 -4.001) 4.081 3.255 ( -2.402 0.000 6.874) 7.281 3.518 ( 1.681 -0.000 -4.980) 5.256 3.957 ( 0.048 -0.000 1.089) 1.090 4.125 ( -0.186 0.000 -7.044) 7.046 4.162 ( 2.276 -0.000 7.189) 7.541 4.417 ( -2.475 0.000 -3.944) 4.656 4.586 ( 1.636 -0.000 2.413) 2.916 4.633 ( -1.679 0.000 0.528) 1.760 4.974 ( -3.334 0.000 5.091) 6.086 5.229 ( 4.423 -0.000 -5.824) 7.313 5.632 ( -5.670 0.000 3.312) 6.566 5.848 ( 8.072 -0.000 -6.453) 10.334 6.128 ( -1.856 0.000 0.605) 1.952 6.133 ( 3.495 -0.000 0.086) 3.496 6.217 ( -12.416 0.000 4.911) 13.352 6.477 ( 10.915 -0.000 -6.605) 12.757 7.322 ( -9.778 0.000 4.850) 10.915 7.471 ( 10.565 -0.000 -0.780) 10.594 7.811 ( 2.484 -0.000 5.566) 6.095 8.002 ( -2.946 0.000 -2.382) 3.788 8.242 ( -18.131 0.000 1.925) 18.233 8.430 ( 8.351 -0.000 -5.535) 10.019 8.846 ( 16.015 -0.000 5.550) 16.949 9.094 ( -8.300 0.000 -5.850) 10.155 10.194 ( 2.051 -0.000 0.966) 2.267 10.230 ( -3.193 0.000 -0.487) 3.230 14.617 ( 3.118 -0.000 7.769) 8.371 15.048 ( -3.498 0.000 -11.241) 11.772 15.437 ( -3.048 0.000 6.453) 7.137 15.700 ( 3.968 -0.000 -5.171) 6.518 27.032 ( -0.588 0.000 0.333) 0.676 27.040 ( 0.287 -0.000 -0.095) 0.302 27.096 ( 1.045 -0.000 0.454) 1.139 27.129 ( -0.599 0.000 -0.920) 1.098 27.416 ( -0.810 0.000 0.950) 1.249 27.458 ( 0.775 -0.000 -0.889) 1.179 33.589 ( 0.776 -0.000 1.560) 1.742 33.710 ( -1.160 0.000 -4.289) 4.443 34.442 ( 2.313 -0.000 7.972) 8.301 34.739 ( -1.852 0.000 -5.584) 5.883 35.880 ( 0.645 -0.000 2.070) 2.168 35.976 ( -0.457 0.000 -2.142) 2.190 36.815 ( 0.322 -0.000 2.584) 2.604 36.923 ( -0.395 0.000 -2.184) 2.220 43.398 ( -4.024 0.000 0.275) 4.033 43.421 ( 4.521 -0.000 -0.768) 4.585 43.903 ( 8.303 -0.000 0.570) 8.322 43.912 ( -8.408 0.000 0.220) 8.411 45.036 ( -2.120 0.000 0.373) 2.152 45.055 ( 2.807 -0.000 -0.307) 2.824 45.398 ( -5.791 0.000 2.722) 6.399 45.540 ( 4.963 -0.000 -3.395) 6.013 57.804 ( 14.138 -0.000 6.580) 15.595 58.104 ( -16.062 0.000 -6.559) 17.350 60.551 ( -31.718 0.000 27.244) 41.812 61.661 ( 40.163 -0.000 -21.375) 45.497 64.727 ( 3.170 -0.000 10.301) 10.778 65.355 ( -3.441 0.000 -17.322) 17.660 70.683 ( 3.483 -0.000 22.417) 22.687 71.872 ( -3.770 0.000 -30.450) 30.683 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -8.585 2.055 7.771) 11.760 2.294 ( -0.275 -3.160 7.606) 8.241 2.530 ( -7.182 1.276 -6.736) 9.929 2.604 ( 4.843 -1.218 -5.603) 7.505 2.684 ( 4.644 1.343 5.456) 7.289 2.892 ( 1.233 -0.885 -3.789) 4.082 3.267 ( -1.691 -2.850 6.125) 6.964 3.561 ( 3.444 -2.927 -4.516) 6.389 3.944 ( -1.027 1.163 0.508) 1.633 4.067 ( 1.539 4.474 -2.664) 5.429 4.217 ( -0.304 -0.233 3.269) 3.291 4.358 ( -1.751 2.079 -3.585) 4.499 4.607 ( 0.152 0.069 2.272) 2.279 4.636 ( 0.886 -1.532 1.053) 2.059 4.945 ( -1.233 1.639 2.777) 3.452 5.229 ( 3.316 5.680 -4.488) 7.962 5.608 ( -4.335 -4.336 2.486) 6.616 5.907 ( -3.013 -3.446 -3.535) 5.783 6.012 ( -11.066 6.525 0.780) 12.870 6.128 ( 0.908 0.824 0.667) 1.395 6.180 ( 3.520 -0.185 0.005) 3.525 6.553 ( 5.561 0.563 -4.370) 7.095 7.230 ( -5.318 0.759 3.613) 6.474 7.484 ( -27.620 20.867 -0.729) 34.624 7.579 ( 6.574 1.249 0.190) 6.694 7.788 ( -3.443 3.175 5.199) 6.998 8.164 ( -10.009 -6.586 2.037) 12.153 8.451 ( 4.867 8.834 -4.800) 11.169 8.979 ( -2.533 2.471 -3.009) 4.645 9.346 ( 27.743 -18.261 1.228) 33.236 10.215 ( -3.223 -2.309 -0.098) 3.966 10.395 ( 11.869 -12.110 0.367) 16.961 14.545 ( -9.575 10.284 6.256) 15.381 14.935 ( -1.608 3.575 -8.901) 9.726 15.326 ( -10.839 5.409 5.356) 13.245 15.678 ( -0.209 3.651 -5.184) 6.344 27.024 ( -0.583 0.149 0.221) 0.641 27.038 ( -0.106 0.200 0.130) 0.261 27.097 ( -1.054 0.457 0.094) 1.153 27.125 ( 0.250 -0.619 -0.679) 0.952 27.421 ( 0.495 -0.425 0.790) 1.025 27.481 ( 2.308 -0.757 -0.754) 2.544 33.584 ( -0.150 1.413 2.018) 2.468 33.688 ( -1.257 0.069 -4.464) 4.638 34.482 ( 1.899 -0.031 8.174) 8.392 34.716 ( -1.009 -0.571 -6.099) 6.209 35.879 ( -0.415 0.933 2.065) 2.304 35.963 ( -0.629 0.037 -2.158) 2.248 36.830 ( 0.351 -0.572 2.796) 2.875 36.931 ( 0.306 -1.480 -2.427) 2.859 43.249 ( -10.050 8.180 -0.288) 12.961 43.413 ( -0.917 1.856 0.113) 2.074 43.671 ( -15.437 10.887 -0.475) 18.896 43.968 ( 2.838 -1.714 0.820) 3.416 45.062 ( 0.433 -3.177 0.764) 3.296 45.195 ( 7.249 -6.509 -1.087) 9.803 45.414 ( 2.640 -3.589 2.067) 4.911 45.696 ( 13.684 -6.078 -2.263) 15.143 57.376 ( -50.445 29.238 -0.533) 58.308 57.983 ( -1.585 -6.863 2.326) 7.418 59.976 ( -39.942 24.512 19.037) 50.582 61.708 ( 42.730 55.323 -15.731) 71.652 65.071 ( 17.344 -23.388 3.241) 29.298 65.241 ( 2.997 5.728 -11.567) 13.251 70.968 ( 6.036 -21.277 20.507) 30.161 71.906 ( -3.186 -15.373 -29.272) 33.216 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -11.233 2.174 5.565) 12.723 2.298 ( -10.132 -0.791 1.719) 10.308 2.443 ( -1.608 -0.921 -1.312) 2.270 2.659 ( 0.026 2.626 -3.074) 4.043 2.688 ( 5.282 2.198 2.450) 6.224 2.984 ( 7.092 -4.806 -0.748) 8.600 3.300 ( -2.262 -3.140 3.382) 5.139 3.689 ( 5.837 -6.423 -3.273) 9.275 3.891 ( -1.275 3.439 -1.025) 3.809 4.034 ( 3.174 3.514 -0.183) 4.739 4.110 ( -9.818 6.147 0.881) 11.617 4.330 ( 0.104 0.706 -2.443) 2.545 4.595 ( -1.515 1.120 1.138) 2.201 4.691 ( 2.450 -1.799 2.417) 3.884 4.868 ( -3.780 5.550 -0.971) 6.784 5.114 ( -0.646 7.876 0.108) 7.903 5.615 ( -7.219 0.694 0.862) 7.303 5.778 ( -6.731 0.214 0.541) 6.756 5.910 ( -6.345 -1.688 0.029) 6.566 6.144 ( 3.406 0.797 -1.701) 3.890 6.199 ( 2.095 2.994 -1.261) 3.865 6.589 ( -2.786 3.296 -0.840) 4.397 6.815 ( -19.750 11.026 -0.412) 22.623 7.247 ( 3.973 0.739 0.665) 4.096 7.613 ( 2.173 2.568 5.691) 6.611 7.719 ( -3.881 0.224 0.355) 3.904 8.143 ( -5.857 -2.580 1.832) 6.657 8.325 ( 0.769 8.883 -6.170) 10.842 8.936 ( 1.290 1.522 -0.388) 2.032 9.969 ( 25.188 -17.053 0.444) 30.421 10.219 ( -3.421 -4.285 0.055) 5.483 10.768 ( 12.948 -13.988 0.070) 19.061 14.030 ( -27.073 24.666 0.807) 36.633 14.909 ( -4.745 4.212 2.194) 6.713 15.031 ( -8.887 9.084 -2.049) 12.872 15.598 ( -1.444 3.815 -4.041) 5.742 27.015 ( -0.570 0.174 0.053) 0.598 27.035 ( -0.222 -0.055 0.405) 0.465 27.070 ( -1.373 0.666 -0.172) 1.535 27.143 ( 0.451 -0.937 -0.503) 1.156 27.437 ( 0.986 -0.228 0.524) 1.140 27.531 ( 3.033 -1.432 -0.527) 3.395 33.550 ( -0.878 2.380 2.690) 3.698 33.666 ( -1.060 -0.032 -5.091) 5.201 34.507 ( 0.765 0.629 7.986) 8.047 34.718 ( 0.206 -1.479 -6.020) 6.202 35.842 ( -2.082 1.981 1.334) 3.168 35.964 ( 0.480 -0.689 -1.377) 1.612 36.845 ( -0.158 -0.624 2.931) 3.001 36.969 ( 1.166 -2.496 -2.648) 3.821 42.948 ( -12.359 11.173 -0.306) 16.663 43.253 ( -19.507 9.060 0.836) 21.524 43.391 ( 1.254 5.260 -0.851) 5.474 44.037 ( 1.868 -3.097 0.431) 3.642 45.106 ( -0.344 -1.978 0.570) 2.086 45.356 ( 4.126 -4.699 -0.299) 6.261 45.570 ( 9.148 -5.734 0.484) 10.808 46.012 ( 15.972 -9.738 -1.139) 18.741 56.095 ( -62.662 40.040 0.485) 74.363 58.100 ( -9.494 -15.249 0.448) 17.968 58.755 ( -56.367 60.093 12.012) 83.263 61.098 ( 38.208 71.116 -9.511) 81.288 65.105 ( 2.434 5.708 -6.385) 8.904 65.917 ( 35.732 -29.710 -3.195) 46.580 71.449 ( 3.178 -26.264 14.043) 29.952 72.163 ( -0.914 -23.654 -23.789) 33.560 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -10.643 -0.105 2.413) 10.914 2.128 ( -12.815 3.001 -2.301) 13.361 2.433 ( -3.418 1.905 1.109) 4.067 2.561 ( 1.582 8.293 -2.362) 8.767 2.712 ( -1.524 0.083 4.671) 4.914 3.158 ( 4.274 -5.764 -1.324) 7.297 3.333 ( 1.814 -1.665 1.490) 2.878 3.745 ( -16.332 9.158 4.003) 19.148 3.817 ( 0.168 4.175 -2.642) 4.943 3.867 ( 2.984 -3.537 -2.816) 5.417 4.084 ( 4.338 -2.590 -2.328) 5.563 4.304 ( -0.485 1.611 -2.205) 2.774 4.514 ( -3.321 4.531 -0.566) 5.646 4.736 ( 1.885 0.817 3.259) 3.852 4.760 ( -1.178 1.198 1.266) 2.104 5.045 ( 1.767 2.132 0.518) 2.817 5.442 ( -8.775 7.106 -2.069) 11.480 5.657 ( -17.113 10.474 1.605) 20.128 5.817 ( -4.119 -4.028 1.357) 5.919 6.164 ( 1.944 0.941 -1.189) 2.465 6.182 ( 2.792 -1.458 0.492) 3.188 6.366 ( -5.243 3.503 0.538) 6.328 6.805 ( 3.276 -4.640 -1.145) 5.794 7.317 ( 9.018 0.928 -0.990) 9.119 7.587 ( -4.531 -0.702 9.010) 10.109 7.685 ( 1.655 2.553 -3.216) 4.427 8.121 ( -2.629 -0.971 1.213) 3.054 8.188 ( -1.828 6.213 -6.021) 8.842 8.949 ( 3.085 0.482 0.535) 3.168 10.183 ( -4.772 -3.254 0.325) 5.785 10.523 ( 17.559 -12.257 -0.055) 21.414 11.114 ( 11.351 -11.579 0.319) 16.218 13.221 ( -33.084 28.428 -0.224) 43.620 14.456 ( -25.191 16.460 2.449) 30.191 15.054 ( 9.223 0.594 -2.903) 9.687 15.514 ( -2.664 2.942 -3.156) 5.071 27.006 ( -0.453 0.080 0.022) 0.461 27.037 ( -0.152 -0.299 0.480) 0.585 27.048 ( -0.778 0.414 -0.124) 0.890 27.161 ( 0.331 -0.748 -0.581) 1.003 27.451 ( 1.000 -0.045 0.335) 1.055 27.589 ( 2.702 -1.491 -0.352) 3.107 33.501 ( -1.196 2.628 3.356) 4.427 33.650 ( -0.590 -0.405 -5.958) 6.001 34.504 ( -0.269 1.513 7.201) 7.363 34.746 ( 0.956 -2.144 -5.134) 5.645 35.783 ( -2.315 1.960 0.977) 3.187 35.985 ( 0.858 -0.912 -0.910) 1.548 36.855 ( -0.451 -0.482 3.105) 3.174 37.021 ( 1.482 -2.480 -2.930) 4.114 42.640 ( -10.286 9.489 -0.238) 13.996 42.894 ( -14.951 8.529 0.455) 17.219 43.346 ( 0.583 2.572 -0.308) 2.655 44.106 ( 1.236 -3.016 0.292) 3.272 45.125 ( -0.078 -0.871 0.506) 1.010 45.454 ( 2.597 -2.996 -0.087) 3.966 45.762 ( 8.020 -4.263 -0.144) 9.084 46.332 ( 12.371 -8.276 -0.520) 14.893 54.779 ( -50.294 36.519 0.659) 62.157 56.882 ( -69.149 69.245 1.107) 97.866 58.305 ( -11.120 -22.152 4.207) 25.141 60.470 ( 37.104 63.598 -4.904) 73.793 65.071 ( 3.620 2.715 -0.848) 4.604 66.738 ( 33.738 -19.587 -9.470) 40.145 71.865 ( -1.041 -21.737 7.510) 23.021 72.500 ( 0.958 -21.051 -16.886) 27.004 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -17.382 5.608 -2.547) 18.441 1.951 ( -5.545 0.275 1.793) 5.834 2.270 ( -7.490 7.769 -3.141) 11.240 2.448 ( 2.250 8.241 -2.233) 8.829 2.652 ( -6.430 0.391 3.957) 7.560 3.181 ( -2.934 -0.553 4.360) 5.284 3.445 ( 7.642 -3.221 -0.169) 8.295 3.574 ( -3.808 -3.059 0.553) 4.915 3.744 ( -0.296 4.671 -3.272) 5.710 3.927 ( 0.407 -0.870 -0.611) 1.138 4.184 ( 3.641 -0.266 -3.553) 5.095 4.310 ( 3.497 -3.512 -0.080) 4.956 4.422 ( -1.500 2.946 -0.728) 3.385 4.703 ( -5.671 4.119 0.353) 7.018 4.755 ( 2.019 -0.208 3.772) 4.284 5.061 ( 1.536 -0.287 -0.064) 1.564 5.129 ( -14.160 6.549 0.558) 15.611 5.436 ( -1.355 4.120 -1.321) 4.533 5.845 ( -2.109 -3.297 0.732) 3.982 6.178 ( -0.065 -0.180 0.471) 0.509 6.248 ( 0.943 -1.965 2.825) 3.568 6.300 ( 0.057 2.593 1.777) 3.144 6.904 ( 3.490 -2.456 -1.614) 4.563 7.407 ( 6.451 0.174 -1.970) 6.747 7.572 ( -4.578 -2.747 4.716) 7.124 7.674 ( 5.794 3.288 0.323) 6.669 8.072 ( -2.197 4.109 -5.478) 7.192 8.114 ( -1.717 -1.263 0.428) 2.174 8.984 ( 2.549 -0.010 0.685) 2.640 10.163 ( -4.504 -1.658 0.296) 4.809 10.741 ( 1.320 -0.720 0.278) 1.529 11.461 ( 16.294 -12.439 0.555) 20.507 12.459 ( -26.309 20.052 -0.048) 33.079 13.938 ( -18.683 12.807 0.651) 22.661 15.153 ( 8.687 0.202 -2.214) 8.966 15.430 ( -4.495 1.694 -2.876) 5.598 27.001 ( -0.227 0.042 0.084) 0.246 27.035 ( -0.233 0.208 -0.063) 0.319 27.045 ( -0.134 -0.404 0.416) 0.595 27.172 ( 0.214 -0.341 -0.621) 0.740 27.462 ( 0.617 0.001 0.235) 0.660 27.635 ( 1.598 -0.940 -0.255) 1.872 33.455 ( -1.038 2.070 3.779) 4.432 33.648 ( 0.097 -1.010 -6.788) 6.864 34.479 ( -0.670 2.158 6.899) 7.259 34.786 ( 0.878 -2.212 -4.539) 5.125 35.735 ( -1.483 1.338 1.025) 2.245 36.006 ( 0.605 -0.699 -0.793) 1.218 36.859 ( -0.531 -0.121 3.385) 3.429 37.067 ( 1.266 -1.650 -3.309) 3.908 42.423 ( -5.727 5.366 -0.143) 7.849 42.650 ( -8.089 4.605 0.450) 9.319 43.320 ( 0.321 1.336 -0.228) 1.392 44.157 ( 0.646 -1.853 0.293) 1.984 45.135 ( 0.200 -0.167 0.561) 0.618 45.516 ( 1.561 -1.781 -0.253) 2.381 45.879 ( 3.946 -1.527 -0.325) 4.244 46.548 ( 6.449 -4.417 -0.104) 7.817 53.851 ( -24.490 21.671 -0.004) 32.702 55.198 ( -49.649 44.750 0.014) 66.840 58.562 ( -13.672 -27.152 3.385) 30.588 59.960 ( 28.499 48.759 -3.352) 56.576 65.090 ( 2.573 0.327 2.279) 3.452 67.255 ( 21.143 -5.408 -13.090) 25.449 72.128 ( -3.379 -13.779 3.640) 14.646 72.759 ( 1.622 -11.608 -11.801) 16.633 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -13.792 0.000 6.974) 15.455 2.250 ( -5.622 0.000 9.283) 10.853 2.440 ( -5.846 0.000 -7.201) 9.275 2.617 ( 0.177 -0.000 -8.555) 8.557 2.799 ( 8.780 -0.000 4.211) 9.738 2.901 ( 3.360 -0.000 -0.210) 3.366 3.244 ( -0.457 0.000 6.382) 6.398 3.568 ( 3.329 -0.000 -4.077) 5.264 3.947 ( -0.449 0.000 1.400) 1.470 4.081 ( -2.297 0.000 -6.686) 7.070 4.250 ( 1.472 -0.000 7.152) 7.302 4.342 ( -1.809 0.000 -4.656) 4.995 4.623 ( 0.736 -0.000 -0.217) 0.768 4.629 ( 0.904 -0.000 3.627) 3.738 4.975 ( 1.793 -0.000 2.807) 3.331 5.318 ( 2.289 -0.000 -3.487) 4.171 5.514 ( -3.879 0.000 -0.972) 3.999 5.732 ( -15.856 0.000 2.761) 16.095 6.023 ( -2.409 0.000 -1.903) 3.070 6.182 ( -0.639 0.000 0.247) 0.685 6.189 ( 6.384 -0.000 -2.750) 6.951 6.518 ( -7.450 0.000 -1.714) 7.644 7.225 ( 1.954 -0.000 -0.194) 1.964 7.445 ( -30.571 0.000 -2.727) 30.693 7.506 ( -24.700 0.000 2.550) 24.831 7.653 ( 3.145 -0.000 3.935) 5.038 7.832 ( -12.827 0.000 5.619) 14.004 8.578 ( -5.949 0.000 -6.028) 8.469 9.205 ( 21.700 -0.000 -4.452) 22.152 9.498 ( 30.190 -0.000 3.525) 30.395 10.323 ( 10.509 -0.000 -0.997) 10.556 10.381 ( 12.210 -0.000 1.707) 12.329 14.567 ( -9.844 0.000 10.579) 14.451 14.819 ( -12.498 0.000 -12.172) 17.446 15.222 ( -16.145 0.000 5.242) 16.975 15.652 ( -6.339 0.000 -6.954) 9.409 27.019 ( -0.526 0.000 0.198) 0.561 27.033 ( -0.888 0.000 0.085) 0.892 27.095 ( -1.162 0.000 0.761) 1.389 27.110 ( -0.378 0.000 -1.292) 1.346 27.438 ( 2.275 -0.000 0.809) 2.414 27.506 ( 3.121 -0.000 -0.836) 3.231 33.592 ( -0.984 0.000 2.197) 2.407 33.664 ( -1.478 0.000 -4.414) 4.655 34.517 ( 1.573 -0.000 8.574) 8.717 34.693 ( -0.306 0.000 -6.752) 6.759 35.887 ( -0.616 0.000 2.209) 2.293 35.941 ( -1.793 0.000 -2.416) 3.009 36.837 ( 0.671 -0.000 2.916) 2.992 36.920 ( 0.746 -0.000 -2.486) 2.596 43.211 ( -10.491 0.000 -1.500) 10.598 43.298 ( -14.476 0.000 2.083) 14.625 43.654 ( -10.192 0.000 -3.901) 10.913 43.816 ( -13.795 0.000 3.482) 14.227 45.089 ( 6.227 -0.000 -0.248) 6.232 45.330 ( 18.750 -0.000 0.407) 18.755 45.451 ( 7.725 -0.000 0.818) 7.768 45.825 ( 16.852 -0.000 -1.594) 16.928 57.122 ( -54.427 0.000 -6.126) 54.770 57.469 ( -42.487 0.000 7.289) 43.108 59.749 ( -40.009 0.000 27.617) 48.615 62.739 ( 42.979 -0.000 -33.458) 54.467 65.049 ( 19.417 -0.000 9.306) 21.532 65.317 ( 6.654 -0.000 -15.674) 17.028 70.937 ( 10.866 -0.000 21.891) 24.439 71.686 ( -3.246 0.000 -30.167) 30.341 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -14.826 0.420 7.624) 16.677 2.146 ( -13.861 -0.510 4.023) 14.442 2.408 ( -0.360 -1.217 -2.858) 3.127 2.581 ( -6.597 -2.411 -10.564) 12.686 2.858 ( 7.538 5.171 4.260) 10.085 2.996 ( 5.149 -3.644 2.811) 6.906 3.265 ( 1.254 -1.305 3.894) 4.294 3.643 ( 3.314 -5.059 -2.784) 6.658 3.930 ( -0.017 2.189 0.666) 2.288 4.030 ( -4.262 0.471 -5.166) 6.714 4.175 ( -4.684 8.692 4.177) 10.721 4.330 ( -0.187 -0.223 -3.354) 3.367 4.609 ( 0.033 1.628 1.424) 2.163 4.684 ( 1.973 -2.943 2.445) 4.305 4.928 ( -2.987 7.189 0.224) 7.788 5.236 ( -1.657 7.867 0.860) 8.085 5.485 ( -7.856 -4.949 -0.435) 9.295 5.668 ( -5.144 -7.503 0.837) 9.136 5.873 ( -7.962 9.626 -1.421) 12.573 6.167 ( -0.773 -0.954 -0.930) 1.540 6.263 ( 3.631 1.309 -2.263) 4.474 6.481 ( -8.750 -5.957 -0.571) 10.601 6.772 ( -23.180 16.632 -0.960) 28.546 7.311 ( 6.714 -0.412 -2.727) 7.258 7.464 ( -22.375 -15.020 3.487) 27.173 7.660 ( -10.256 -5.349 9.902) 15.227 7.756 ( -5.384 -2.542 -2.144) 6.328 8.422 ( -9.530 4.190 -6.051) 12.041 9.330 ( 26.866 16.126 -1.319) 31.362 10.025 ( 26.584 -15.144 1.634) 30.639 10.332 ( 13.097 9.064 -0.083) 15.928 10.722 ( 14.892 -12.877 0.385) 19.691 14.128 ( -24.288 25.965 2.805) 35.665 14.783 ( -14.669 -6.211 0.698) 15.946 14.963 ( -16.549 2.013 -0.540) 16.680 15.542 ( -9.707 -0.641 -7.670) 12.388 27.010 ( -0.619 0.236 0.007) 0.662 27.025 ( -0.788 -0.406 0.205) 0.910 27.069 ( -1.191 0.867 0.309) 1.505 27.120 ( -0.408 -1.406 -0.780) 1.659 27.467 ( 2.880 0.578 0.690) 3.018 27.551 ( 3.452 -0.769 -0.772) 3.620 33.568 ( -1.679 1.295 2.651) 3.395 33.641 ( -1.376 -0.170 -4.871) 5.065 34.539 ( 0.617 0.637 8.506) 8.552 34.692 ( 0.639 -1.048 -6.758) 6.869 35.853 ( -1.956 2.281 1.027) 3.176 35.937 ( -1.176 -1.954 -1.256) 2.603 36.848 ( 0.492 0.108 2.918) 2.961 36.944 ( 1.287 -1.831 -2.505) 3.359 42.960 ( -13.160 9.444 -0.441) 16.204 43.128 ( -17.211 2.241 0.640) 17.368 43.414 ( -9.418 5.541 -1.139) 10.986 43.800 ( -13.987 -13.365 1.035) 19.374 45.160 ( 7.497 2.176 -0.451) 7.819 45.521 ( 16.164 3.382 3.521) 16.885 45.610 ( 13.006 -3.245 -2.831) 13.701 46.085 ( 17.344 -5.994 -0.767) 18.366 55.989 ( -58.954 37.834 -0.593) 70.053 57.282 ( -51.329 -33.044 -0.092) 61.045 58.944 ( -54.456 39.164 29.707) 73.360 62.487 ( 19.171 57.535 -39.157) 72.188 65.256 ( 9.506 5.560 -11.868) 16.190 65.834 ( 35.871 -35.131 1.978) 50.248 71.215 ( 9.056 -13.309 15.565) 22.392 71.771 ( -0.156 -18.344 -24.432) 30.553 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -13.932 -0.509 7.062) 15.627 1.985 ( -13.989 -0.639 1.338) 14.067 2.405 ( -3.863 0.284 -1.452) 4.137 2.510 ( -8.954 -2.697 -10.604) 14.139 2.830 ( 1.448 7.113 6.705) 9.882 3.102 ( 1.900 -3.954 1.437) 4.616 3.348 ( 5.898 -3.151 0.313) 6.695 3.686 ( -14.224 5.978 1.715) 15.524 3.834 ( -4.728 3.314 0.519) 5.797 3.896 ( 2.811 1.599 -2.527) 4.104 4.085 ( 2.084 -1.420 -2.280) 3.400 4.318 ( 0.081 0.868 -3.192) 3.309 4.562 ( -0.959 4.244 1.043) 4.474 4.755 ( -0.577 -0.577 0.996) 1.288 4.769 ( -1.781 2.441 3.487) 4.614 5.125 ( 1.035 5.552 0.603) 5.680 5.455 ( -11.641 7.434 -1.354) 13.878 5.564 ( -15.261 0.375 2.054) 15.403 5.708 ( -2.779 -2.066 -0.893) 3.577 6.168 ( -3.856 2.166 1.605) 4.705 6.196 ( -0.033 -0.342 -1.354) 1.397 6.348 ( -3.376 0.934 -0.868) 3.608 6.694 ( -0.289 -9.332 -2.774) 9.740 7.372 ( -2.185 -1.359 0.045) 2.573 7.456 ( -6.523 -7.847 3.573) 10.812 7.647 ( -20.431 -15.341 5.018) 26.037 7.743 ( -0.633 -0.054 -1.502) 1.631 8.232 ( -9.110 4.104 -5.482) 11.397 9.378 ( 26.927 18.199 -0.279) 32.501 10.316 ( 15.273 8.839 1.490) 17.709 10.564 ( 19.115 -9.858 -0.531) 21.513 11.085 ( 14.048 -11.299 0.450) 18.034 13.303 ( -32.856 31.855 0.552) 45.766 14.387 ( -26.965 13.392 3.079) 30.265 14.986 ( -5.502 -11.451 -2.736) 12.996 15.423 ( -12.108 -2.018 -7.044) 14.153 27.001 ( -0.452 0.009 -0.136) 0.472 27.027 ( -0.419 -0.584 0.394) 0.820 27.046 ( -0.801 0.487 0.218) 0.963 27.136 ( -0.668 -1.513 -0.735) 1.810 27.488 ( 2.878 1.210 0.449) 3.154 27.604 ( 3.058 -0.925 -0.548) 3.241 33.523 ( -2.100 1.977 3.291) 4.376 33.624 ( -0.956 -0.520 -5.684) 5.788 34.537 ( -0.142 1.411 7.403) 7.538 34.718 ( 1.092 -1.886 -5.594) 6.003 35.791 ( -2.108 2.225 0.576) 3.119 35.958 ( -0.915 -2.245 -0.710) 2.526 36.856 ( 0.357 0.070 2.935) 2.957 36.993 ( 1.399 -2.600 -2.636) 3.958 42.662 ( -10.878 8.986 -0.203) 14.110 42.842 ( -14.331 6.872 0.272) 15.895 43.295 ( -8.285 -1.984 -0.321) 8.526 43.857 ( -13.982 -14.495 0.448) 20.144 45.199 ( 7.385 3.807 -0.369) 8.316 45.639 ( 15.362 6.023 2.641) 16.710 45.797 ( 9.987 -2.371 -2.461) 10.555 46.378 ( 14.013 -6.014 -0.238) 15.251 54.753 ( -47.333 33.748 0.435) 58.134 56.885 ( -74.063 24.352 -2.915) 78.018 57.665 ( -48.344 4.259 18.828) 52.055 61.650 ( 2.412 53.686 -26.753) 60.031 65.254 ( 11.648 7.924 -7.808) 16.107 66.799 ( 36.680 -26.196 -8.246) 45.822 71.564 ( 4.160 -17.842 6.301) 19.374 72.124 ( 3.194 -25.029 -15.155) 29.434 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -14.842 1.888 3.429) 15.349 1.850 ( -11.048 -1.545 5.291) 12.347 2.247 ( -11.293 5.008 -6.235) 13.838 2.432 ( -7.775 -2.203 -9.819) 12.716 2.704 ( -1.437 6.979 6.233) 9.467 3.179 ( 3.328 -0.951 3.166) 4.690 3.402 ( -7.370 -1.903 5.112) 9.169 3.492 ( 0.916 -3.682 -4.192) 5.654 3.778 ( -2.334 1.996 -2.164) 3.757 3.935 ( 1.488 0.306 0.726) 1.683 4.185 ( 3.911 -4.188 -4.492) 7.281 4.311 ( 1.708 -0.637 -0.797) 1.989 4.477 ( -0.284 4.555 0.868) 4.646 4.649 ( -9.162 3.040 0.995) 9.704 4.810 ( 2.919 0.239 3.215) 4.350 5.060 ( -7.481 3.371 -0.286) 8.210 5.103 ( -3.820 5.059 1.131) 6.439 5.511 ( -0.033 3.317 -1.004) 3.466 5.721 ( -4.706 -6.271 0.373) 7.849 6.125 ( -5.760 -2.413 2.839) 6.860 6.233 ( 1.126 -1.008 0.187) 1.522 6.338 ( 1.467 0.171 0.767) 1.664 6.827 ( -1.193 -7.976 -3.565) 8.818 7.325 ( -9.296 -3.240 2.418) 10.138 7.546 ( 2.035 -3.624 0.017) 4.156 7.665 ( -23.251 -19.104 1.106) 30.113 7.734 ( 0.185 0.485 1.748) 1.823 8.073 ( -6.335 2.498 -5.340) 8.653 9.399 ( 25.248 18.601 0.084) 31.361 10.361 ( 19.336 11.707 1.030) 22.627 10.756 ( 0.666 1.172 -0.057) 1.350 11.463 ( 17.590 -13.137 0.691) 21.965 12.475 ( -27.692 22.926 0.279) 35.951 13.894 ( -19.629 10.517 0.810) 22.284 15.092 ( -5.514 -10.331 -1.502) 11.806 15.288 ( -15.682 -3.141 -6.152) 17.135 26.999 ( -0.094 -0.097 -0.090) 0.162 27.033 ( -0.450 -0.640 0.630) 1.005 27.035 ( -0.220 0.135 -0.046) 0.262 27.148 ( -1.020 -1.428 -0.721) 1.897 27.498 ( 2.543 1.676 0.281) 3.058 27.646 ( 2.010 -0.415 -0.368) 2.085 33.471 ( -2.222 1.783 3.886) 4.819 33.620 ( -0.222 -1.096 -6.574) 6.668 34.518 ( -0.355 1.973 6.844) 7.131 34.754 ( 0.904 -2.097 -4.845) 5.356 35.742 ( -1.237 1.449 0.743) 2.045 35.979 ( -1.107 -2.053 -0.660) 2.424 36.863 ( 0.282 0.148 3.223) 3.238 37.044 ( 1.091 -2.313 -3.108) 4.025 42.440 ( -6.064 5.631 -0.126) 8.276 42.622 ( -7.581 3.654 0.411) 8.426 43.245 ( -8.116 -3.840 -0.248) 8.982 43.917 ( -14.184 -14.057 0.339) 19.973 45.220 ( 7.284 4.511 -0.153) 8.569 45.709 ( 13.834 7.583 1.783) 15.876 45.899 ( 4.791 0.201 -2.019) 5.203 46.583 ( 8.316 -2.512 0.074) 8.687 53.879 ( -25.908 19.997 0.110) 32.728 55.236 ( -63.338 45.000 0.493) 77.698 57.608 ( -43.332 -43.091 5.831) 61.388 60.777 ( -17.612 41.441 -14.575) 47.328 65.262 ( 12.354 8.482 -2.808) 15.246 67.417 ( 24.163 -6.872 -15.855) 29.706 71.881 ( 2.231 -15.909 3.590) 16.461 72.520 ( 4.108 -20.229 -10.284) 23.062 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -15.734 0.000 10.447) 18.887 1.963 ( -16.540 0.000 3.684) 16.945 2.388 ( -0.937 0.000 -3.032) 3.173 2.437 ( -9.957 0.000 -12.778) 16.200 2.950 ( -5.676 0.000 5.880) 8.173 3.042 ( 10.386 -0.000 2.347) 10.648 3.298 ( 4.687 -0.000 3.077) 5.607 3.620 ( 0.854 -0.000 -2.388) 2.537 3.956 ( 0.222 -0.000 3.629) 3.636 3.973 ( -4.097 0.000 -7.234) 8.313 4.196 ( -7.907 0.000 4.134) 8.923 4.315 ( 0.172 -0.000 -3.824) 3.827 4.654 ( 1.413 -0.000 -0.779) 1.614 4.655 ( 0.059 -0.000 4.241) 4.241 4.994 ( -2.548 0.000 2.261) 3.407 5.152 ( -15.585 0.000 -2.226) 15.743 5.450 ( -5.494 0.000 6.741) 8.696 5.453 ( -5.389 0.000 -4.601) 7.086 5.926 ( -7.153 0.000 -2.164) 7.473 6.058 ( -5.955 0.000 -1.147) 6.065 6.329 ( -7.070 0.000 1.101) 7.156 6.330 ( 4.557 -0.000 -3.433) 5.705 6.690 ( -23.631 0.000 -2.501) 23.763 6.939 ( -18.341 0.000 0.787) 18.358 7.391 ( 7.117 -0.000 -3.680) 8.012 7.493 ( -13.161 0.000 13.291) 18.705 7.749 ( 0.448 -0.000 -0.712) 0.841 8.300 ( -12.149 0.000 -5.931) 13.519 9.846 ( 29.241 -0.000 -2.059) 29.313 10.179 ( 24.286 -0.000 2.680) 24.433 10.677 ( 18.240 -0.000 0.290) 18.242 10.756 ( 18.562 -0.000 -0.136) 18.562 14.188 ( -25.998 0.000 15.727) 30.385 14.389 ( -19.579 0.000 -13.693) 23.892 14.734 ( -24.156 0.000 2.943) 24.335 15.355 ( -16.229 0.000 -12.713) 20.615 27.008 ( -0.916 0.000 -0.238) 0.946 27.009 ( -0.430 0.000 0.261) 0.502 27.061 ( -1.548 0.000 0.754) 1.722 27.103 ( 0.011 -0.000 -1.088) 1.088 27.513 ( 3.383 -0.000 0.934) 3.509 27.586 ( 3.608 -0.000 -1.087) 3.768 33.559 ( -2.303 0.000 2.834) 3.652 33.616 ( -1.270 0.000 -5.216) 5.369 34.562 ( -0.321 0.000 9.503) 9.509 34.684 ( 1.375 -0.000 -7.763) 7.884 35.865 ( -1.769 0.000 2.349) 2.941 35.883 ( -2.220 0.000 -2.659) 3.463 36.863 ( 0.653 -0.000 3.240) 3.305 36.940 ( 1.431 -0.000 -2.738) 3.089 42.897 ( -17.133 0.000 2.355) 17.294 42.928 ( -11.882 0.000 -2.825) 12.213 43.380 ( -11.708 0.000 -3.723) 12.286 43.426 ( -17.555 0.000 4.314) 18.077 45.293 ( 9.741 -0.000 -1.026) 9.795 45.655 ( 8.833 -0.000 3.587) 9.533 45.860 ( 22.614 -0.000 -2.932) 22.803 46.241 ( 16.879 -0.000 -0.233) 16.881 55.758 ( -54.740 0.000 -2.648) 54.804 56.158 ( -60.870 0.000 2.313) 60.914 58.629 ( -66.080 0.000 43.401) 79.058 62.863 ( -24.524 0.000 -94.204) 97.344 65.638 ( 26.131 -0.000 5.094) 26.623 65.775 ( 32.930 -0.000 3.479) 33.113 71.290 ( 12.941 -0.000 16.511) 20.978 71.578 ( 2.070 -0.000 -23.100) 23.193 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -14.563 -0.729 12.489) 19.199 1.782 ( -16.406 -2.089 3.525) 16.910 2.317 ( -10.968 -3.063 -13.370) 17.562 2.355 ( -4.809 0.575 -3.571) 6.017 2.827 ( -14.046 0.529 6.292) 15.400 3.155 ( 8.715 0.998 0.921) 8.820 3.372 ( 4.591 -1.613 0.394) 4.883 3.606 ( -9.273 2.022 -0.306) 9.496 3.848 ( -7.123 7.138 0.934) 10.127 3.938 ( 0.549 0.898 -0.985) 1.442 4.086 ( -0.106 0.234 -0.208) 0.330 4.317 ( -0.299 -0.407 -3.302) 3.340 4.612 ( -0.962 2.694 2.172) 3.592 4.724 ( 0.206 -4.029 0.918) 4.138 4.788 ( -7.711 6.842 2.078) 10.516 5.158 ( -10.957 -8.302 0.782) 13.770 5.251 ( -10.769 -0.791 -2.641) 11.116 5.441 ( -13.353 5.591 4.236) 15.083 5.689 ( -5.713 4.025 -1.716) 7.196 6.132 ( -0.145 -7.780 -2.177) 8.080 6.174 ( -5.806 6.519 1.150) 8.805 6.338 ( -0.342 1.322 -0.606) 1.494 6.549 ( -2.574 -6.817 -3.542) 8.102 6.950 ( -13.946 -16.931 -0.580) 21.943 7.345 ( -9.773 1.767 8.050) 12.784 7.490 ( 3.507 -2.902 -0.614) 4.593 7.746 ( -0.793 0.185 1.438) 1.653 8.142 ( -10.121 1.378 -5.395) 11.551 9.999 ( 27.080 17.637 -0.644) 32.323 10.569 ( 18.094 -8.362 2.316) 20.066 10.790 ( 22.860 8.594 -0.962) 24.441 11.103 ( 16.559 -9.156 0.069) 18.922 13.436 ( -34.161 34.111 3.692) 48.416 14.221 ( -27.368 4.312 2.604) 27.828 14.582 ( -17.720 -18.700 -3.331) 25.977 15.147 ( -21.368 -4.826 -14.390) 26.210 26.997 ( -0.353 0.079 -0.278) 0.456 27.011 ( -0.637 -0.662 0.410) 1.006 27.043 ( -0.830 0.285 0.395) 0.963 27.108 ( -0.344 -0.814 -0.871) 1.241 27.546 ( 3.279 0.994 0.802) 3.519 27.631 ( 3.241 -0.412 -0.982) 3.411 33.524 ( -2.668 1.144 3.198) 4.319 33.597 ( -0.832 -0.359 -5.909) 5.978 34.561 ( -1.159 0.656 9.078) 9.175 34.700 ( 1.782 -1.030 -7.258) 7.544 35.805 ( -1.946 2.532 0.349) 3.213 35.896 ( -1.892 -2.967 -0.579) 3.566 36.871 ( 0.600 0.373 3.099) 3.178 36.969 ( 1.337 -1.836 -2.643) 3.485 42.650 ( -12.053 6.051 0.826) 13.512 42.763 ( -12.497 3.388 -1.175) 13.001 43.149 ( -11.590 0.765 0.236) 11.618 43.432 ( -15.341 -14.614 0.504) 21.194 45.372 ( 9.247 3.783 -1.038) 10.045 45.772 ( 6.156 -1.416 2.786) 6.904 46.061 ( 20.748 6.516 -2.652) 21.908 46.468 ( 14.021 -3.865 0.176) 14.545 54.714 ( -45.522 31.499 0.227) 55.358 55.884 ( -59.973 -31.367 -1.522) 67.697 57.429 ( -80.491 41.384 34.863) 96.989 61.923 ( -56.096 25.987 -92.058) 110.891 65.637 ( 22.771 18.498 -0.101) 29.338 66.710 ( 34.541 -37.423 -3.510) 51.048 71.473 ( 9.889 -4.861 5.884) 12.492 71.792 ( 6.520 -19.966 -10.781) 23.609 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -13.048 -0.046 11.240) 17.222 1.655 ( -14.878 -4.311 7.789) 17.338 2.160 ( -13.137 4.348 -8.278) 16.125 2.256 ( -9.359 -4.072 -11.868) 15.653 2.694 ( -10.066 -3.357 5.122) 11.783 3.212 ( 1.531 1.289 1.417) 2.452 3.330 ( -9.835 5.623 1.387) 11.413 3.447 ( 1.492 -2.833 -2.409) 4.007 3.758 ( -3.417 0.675 0.867) 3.589 3.965 ( 2.289 -0.095 -0.084) 2.292 4.161 ( 4.878 -3.808 -3.129) 6.934 4.292 ( -4.427 -0.237 -2.053) 4.886 4.542 ( -0.956 3.794 2.082) 4.432 4.625 ( -4.934 4.655 1.881) 7.039 4.800 ( -0.962 -4.753 2.089) 5.280 4.998 ( -10.129 1.802 1.134) 10.351 5.164 ( -6.474 6.475 0.013) 9.156 5.319 ( -10.063 -13.650 0.540) 16.967 5.641 ( -5.323 -1.925 0.658) 5.698 6.069 ( 0.174 3.880 1.278) 4.089 6.230 ( 1.810 -2.310 -1.227) 3.181 6.338 ( 0.760 -1.659 0.115) 1.829 6.647 ( -4.731 -9.409 -3.687) 11.158 7.069 ( -12.488 -16.840 -0.417) 20.969 7.215 ( -8.577 1.268 4.424) 9.734 7.554 ( -0.940 -1.401 -0.463) 1.749 7.739 ( 0.088 -0.230 3.862) 3.870 8.025 ( -3.876 0.647 -5.430) 6.702 10.010 ( 24.629 19.246 -0.192) 31.258 10.765 ( 5.083 2.471 2.183) 6.059 10.884 ( 20.023 13.867 -1.605) 24.409 11.469 ( 17.761 -12.790 0.638) 21.896 12.523 ( -30.405 26.595 1.267) 40.415 13.807 ( -19.155 7.709 1.008) 20.672 14.700 ( -17.390 -20.771 -2.118) 27.173 14.933 ( -27.593 -7.342 -12.744) 31.268 26.996 ( 0.132 -0.197 -0.347) 0.420 27.014 ( -0.957 -0.753 0.853) 1.487 27.036 ( 0.047 0.059 -0.065) 0.100 27.114 ( -0.881 -0.987 -0.754) 1.523 27.562 ( 2.950 1.800 0.512) 3.494 27.668 ( 2.293 -0.052 -0.675) 2.391 33.472 ( -3.052 1.611 3.811) 5.142 33.591 ( -0.013 -0.918 -6.771) 6.833 34.546 ( -1.298 0.996 8.294) 8.454 34.731 ( 1.625 -1.459 -6.397) 6.759 35.754 ( -1.046 1.655 0.643) 2.061 35.919 ( -1.921 -2.838 -0.614) 3.481 36.877 ( 0.515 0.312 3.146) 3.203 37.014 ( 0.946 -2.381 -2.935) 3.896 42.450 ( -6.392 4.767 0.419) 7.985 42.583 ( -7.331 2.506 -0.082) 7.748 43.056 ( -10.321 -4.294 0.005) 11.179 43.490 ( -15.130 -15.356 0.414) 21.561 45.407 ( 9.107 5.143 -0.960) 10.503 45.823 ( -0.009 0.375 2.117) 2.150 46.161 ( 18.363 9.684 -2.272) 20.883 46.656 ( 8.796 -1.611 0.311) 8.948 53.870 ( -27.189 19.394 0.446) 33.401 55.073 ( -71.335 33.966 0.593) 79.011 56.386 ( -58.884 -29.406 10.356) 66.628 60.626 ( -82.345 16.792 -54.554) 100.194 65.639 ( 21.102 14.681 -0.951) 25.724 67.503 ( 23.348 -17.091 -18.887) 34.553 71.730 ( 9.064 -11.469 4.701) 15.356 72.214 ( 6.480 -23.337 -7.208) 25.270 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -13.014 0.000 17.070) 21.465 1.562 ( -17.321 0.000 5.384) 18.138 2.134 ( -10.857 0.000 -15.303) 18.763 2.298 ( -5.957 0.000 -4.725) 7.604 2.590 ( -25.774 0.000 9.134) 27.344 3.252 ( 5.643 -0.000 -5.999) 8.236 3.402 ( 1.101 -0.000 1.737) 2.056 3.522 ( -9.802 0.000 -2.006) 10.005 3.863 ( -9.966 0.000 7.613) 12.541 3.908 ( 1.140 -0.000 -6.081) 6.187 4.098 ( 2.915 -0.000 3.005) 4.187 4.274 ( -6.314 0.000 -2.800) 6.907 4.582 ( -10.741 0.000 -1.825) 10.895 4.642 ( -1.915 0.000 3.679) 4.147 4.776 ( -5.674 0.000 0.871) 5.741 4.906 ( -4.978 0.000 3.154) 5.893 5.083 ( -18.834 0.000 -2.131) 18.954 5.443 ( -0.447 0.000 4.642) 4.664 5.595 ( -17.329 0.000 -2.622) 17.526 5.996 ( -2.786 0.000 -1.978) 3.417 6.237 ( 6.046 -0.000 -1.023) 6.132 6.364 ( 0.040 -0.000 1.948) 1.949 6.420 ( -3.351 0.000 -2.217) 4.018 6.783 ( 3.456 -0.000 -3.139) 4.669 7.272 ( -7.568 0.000 9.224) 11.931 7.497 ( 1.259 -0.000 -2.746) 3.021 7.737 ( -1.314 0.000 3.682) 3.909 8.037 ( -7.020 0.000 -5.145) 8.704 10.517 ( 26.036 -0.000 -0.978) 26.055 10.637 ( 13.058 -0.000 1.619) 13.159 11.146 ( 18.968 -0.000 2.857) 19.182 11.229 ( 19.577 -0.000 -3.250) 19.845 13.398 ( -43.061 0.000 17.203) 46.370 13.835 ( -21.971 0.000 -17.847) 28.306 14.158 ( -23.541 0.000 1.948) 23.622 14.757 ( -30.645 0.000 -21.077) 37.193 26.994 ( -0.074 0.000 -0.627) 0.631 26.996 ( -0.773 0.000 0.774) 1.094 27.038 ( -0.318 0.000 0.228) 0.391 27.098 ( -0.241 0.000 -0.797) 0.832 27.594 ( 2.980 -0.000 1.130) 3.187 27.664 ( 3.088 -0.000 -1.331) 3.363 33.506 ( -2.726 0.000 2.998) 4.052 33.576 ( -0.402 0.000 -6.449) 6.461 34.556 ( -2.646 0.000 10.250) 10.586 34.708 ( 2.630 -0.000 -8.272) 8.680 35.822 ( -2.274 0.000 2.645) 3.488 35.830 ( -1.256 0.000 -2.818) 3.085 36.885 ( 0.331 -0.000 3.305) 3.322 36.965 ( 1.273 -0.000 -2.752) 3.032 42.551 ( -11.744 0.000 2.377) 11.982 42.655 ( -9.427 0.000 -2.978) 9.886 43.064 ( -12.976 0.000 4.174) 13.630 43.101 ( -10.052 0.000 -2.497) 10.357 45.498 ( 6.834 -0.000 -1.132) 6.927 45.834 ( 4.606 -0.000 1.016) 4.717 46.355 ( 18.537 -0.000 -1.998) 18.645 46.593 ( 11.965 -0.000 0.704) 11.986 54.595 ( -40.533 0.000 -0.501) 40.536 54.798 ( -50.201 0.000 1.324) 50.218 56.829 ( -93.328 0.000 44.875) 103.556 60.835 (-116.955 0.000 -157.226) 195.955 66.259 ( 23.615 -0.000 3.034) 23.809 66.624 ( 31.380 -0.000 6.434) 32.032 71.626 ( 10.969 -0.000 10.374) 15.098 71.670 ( 9.946 -0.000 -12.076) 15.644 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -11.631 -0.178 17.876) 21.327 1.407 ( -15.580 -4.430 10.462) 19.283 2.025 ( -8.470 -3.965 -15.734) 18.304 2.087 ( -17.590 6.354 -3.348) 19.000 2.398 ( -18.667 -10.887 7.106) 22.748 3.266 ( -2.928 5.601 -1.868) 6.590 3.281 ( -9.236 2.780 -10.009) 13.900 3.422 ( -2.130 -1.747 0.543) 2.807 3.729 ( -5.262 1.647 3.759) 6.673 3.956 ( -2.805 -3.354 -0.675) 4.424 4.161 ( -9.973 -1.284 -3.832) 10.761 4.192 ( 6.223 -3.449 2.576) 7.567 4.547 ( -2.189 -4.403 3.097) 5.811 4.625 ( -3.200 -0.610 3.287) 4.628 4.701 ( -1.886 3.653 0.741) 4.177 4.875 ( -7.816 -2.993 1.137) 8.446 4.946 ( -9.803 -5.808 -0.913) 11.431 5.273 ( -9.268 6.769 0.280) 11.480 5.501 ( -5.167 -3.089 3.137) 6.788 6.068 ( -3.654 -9.958 -3.081) 11.046 6.292 ( 11.513 5.802 -2.077) 13.058 6.338 ( 0.293 1.263 1.064) 1.677 6.453 ( -2.671 -5.076 -0.096) 5.737 6.887 ( 5.251 -3.785 -2.077) 6.798 7.180 ( -5.262 3.058 4.245) 7.420 7.491 ( -5.562 -1.472 -0.462) 5.772 7.742 ( 0.727 -0.774 6.503) 6.589 7.990 ( 0.494 -1.315 -5.179) 5.366 10.560 ( 17.761 16.021 -0.277) 23.921 10.823 ( 0.465 3.849 0.772) 3.953 11.324 ( 20.152 6.240 -0.290) 21.098 11.498 ( 16.674 -8.996 -0.369) 18.950 12.567 ( -36.116 27.102 3.974) 45.328 13.666 ( -16.855 -1.717 -2.336) 17.102 14.038 ( -29.096 -22.440 -10.477) 38.209 14.382 ( -36.751 -8.627 -15.182) 40.688 26.992 ( -0.723 -0.445 0.811) 1.174 26.997 ( 0.210 -0.194 -0.584) 0.650 27.038 ( 0.241 -0.007 0.022) 0.242 27.095 ( -0.621 -0.267 -0.665) 0.948 27.620 ( 2.529 1.052 0.984) 2.910 27.696 ( 2.379 0.146 -1.144) 2.644 33.464 ( -3.214 1.452 3.188) 4.754 33.571 ( 0.491 -0.659 -7.179) 7.226 34.538 ( -3.147 -0.294 10.006) 10.494 34.732 ( 2.823 -0.408 -7.978) 8.473 35.771 ( -1.036 1.896 0.954) 2.362 35.851 ( -1.420 -2.772 -0.909) 3.244 36.891 ( 0.118 0.199 3.154) 3.163 36.988 ( 0.923 -1.534 -2.789) 3.315 42.425 ( -6.668 1.379 2.147) 7.140 42.533 ( -6.055 2.077 -1.716) 6.627 42.907 ( -7.988 -0.037 1.188) 8.076 43.118 ( -10.181 -11.563 0.350) 15.411 45.551 ( 5.312 1.520 -1.254) 5.665 45.838 ( -1.738 2.763 -0.162) 3.269 46.498 ( 15.545 6.446 -1.491) 16.894 46.735 ( 7.761 -1.294 0.661) 7.896 53.854 ( -26.930 19.665 0.910) 33.358 54.535 ( -51.687 -6.777 0.619) 52.133 55.457 ( -82.882 15.939 17.059) 86.107 59.055 (-155.316 -19.431 -119.965) 197.211 66.216 ( 22.660 22.970 6.326) 32.881 67.352 ( 19.389 -29.658 -12.158) 37.461 71.751 ( 11.699 -3.493 4.339) 12.958 71.962 ( 8.211 -16.961 -3.954) 19.254 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -14.936 0.000 12.870) 19.716 1.228 ( -11.841 0.000 20.879) 24.002 1.818 ( -19.285 0.000 5.702) 20.110 1.955 ( -14.891 0.000 -0.500) 14.900 2.069 ( -11.311 0.000 -10.313) 15.307 3.154 ( -11.012 0.000 -17.680) 20.829 3.288 ( -1.957 0.000 -5.500) 5.838 3.330 ( -7.163 0.000 3.951) 8.180 3.690 ( -6.022 0.000 4.058) 7.262 3.737 ( -17.318 0.000 2.304) 17.470 4.121 ( 4.108 -0.000 -4.673) 6.222 4.264 ( 8.311 -0.000 3.567) 9.044 4.502 ( 1.085 -0.000 1.025) 1.493 4.588 ( -7.107 0.000 -3.603) 7.969 4.766 ( 1.515 -0.000 4.054) 4.328 4.780 ( 0.005 -0.000 5.068) 5.068 4.807 ( -4.080 0.000 2.327) 4.697 5.174 ( -11.782 0.000 -0.863) 11.813 5.472 ( -1.350 0.000 5.054) 5.231 5.913 ( -3.105 0.000 -3.804) 4.910 6.360 ( -1.549 0.000 2.598) 3.025 6.374 ( 0.791 -0.000 -2.567) 2.687 6.546 ( 16.445 -0.000 -1.919) 16.556 6.970 ( 11.764 -0.000 -2.732) 12.077 7.167 ( -4.332 0.000 2.352) 4.929 7.382 ( -10.014 0.000 0.498) 10.027 7.786 ( 7.261 -0.000 10.062) 12.409 7.989 ( 3.608 -0.000 -3.976) 5.369 10.738 ( -8.077 0.000 -3.302) 8.726 10.974 ( 5.571 -0.000 4.377) 7.085 11.537 ( 13.783 -0.000 2.299) 13.973 11.597 ( 11.933 -0.000 -4.439) 12.732 12.399 ( -36.628 0.000 6.506) 37.202 13.100 ( -43.260 0.000 -30.945) 53.188 13.664 ( -16.860 0.000 2.617) 17.062 13.845 ( -29.305 0.000 -7.856) 30.340 26.981 ( -0.677 0.000 0.969) 1.182 27.000 ( 0.686 -0.000 -0.930) 1.156 27.042 ( 0.405 -0.000 0.064) 0.410 27.085 ( -0.764 0.000 -0.560) 0.947 27.656 ( 1.799 -0.000 1.288) 2.213 27.723 ( 2.061 -0.000 -1.356) 2.467 33.442 ( -3.713 0.000 2.365) 4.402 33.563 ( 1.289 -0.000 -7.658) 7.766 34.503 ( -4.276 0.000 10.560) 11.393 34.755 ( 3.361 -0.000 -8.250) 8.908 35.781 ( -1.795 0.000 2.607) 3.165 35.811 ( 0.413 -0.000 -2.589) 2.621 36.895 ( -0.413 0.000 2.958) 2.987 36.982 ( 0.894 -0.000 -2.595) 2.745 42.360 ( -5.028 0.000 3.173) 5.946 42.503 ( -1.625 0.000 -2.751) 3.195 42.861 ( -4.329 0.000 4.256) 6.070 42.913 ( -4.712 0.000 -1.271) 4.880 45.594 ( 1.587 -0.000 -1.049) 1.902 45.818 ( -7.630 0.000 -3.244) 8.291 46.711 ( 11.260 -0.000 -1.356) 11.341 46.802 ( 5.005 -0.000 1.079) 5.120 53.835 ( -31.301 0.000 3.495) 31.496 53.856 ( -20.596 0.000 0.134) 20.596 54.707 ( -81.818 0.000 19.611) 84.135 56.260 (-208.299 0.000 -127.720) 244.337 66.756 ( 16.417 -0.000 3.902) 16.874 67.192 ( 14.319 -0.000 0.218) 14.321 71.852 ( 5.284 -0.000 5.977) 7.978 71.919 ( 11.066 -0.000 -6.014) 12.594 ======================= Grid point 305 (142/172) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 6.623 -0.000 -6.596) 9.348 1.292 ( -6.623 0.000 6.596) 9.348 1.527 ( 11.927 -0.000 -7.161) 13.911 1.527 ( -11.927 0.000 7.161) 13.911 2.426 ( -0.338 0.000 -33.504) 33.506 2.426 ( 0.338 -0.000 33.504) 33.506 3.231 ( 5.982 -0.000 -3.020) 6.701 3.231 ( -5.982 0.000 3.020) 6.701 3.578 ( -0.315 0.000 -3.834) 3.847 3.578 ( 0.315 -0.000 3.834) 3.847 4.172 ( -7.053 0.000 0.246) 7.057 4.172 ( 7.053 -0.000 -0.246) 7.057 4.509 ( -2.792 0.000 -0.631) 2.863 4.509 ( 2.792 -0.000 0.631) 2.863 4.852 ( -2.866 0.000 -3.221) 4.311 4.852 ( 2.866 -0.000 3.221) 4.311 5.015 ( -1.215 0.000 -5.607) 5.737 5.015 ( 1.215 -0.000 5.607) 5.737 5.680 ( -4.915 0.000 -7.224) 8.738 5.680 ( 4.915 -0.000 7.224) 8.738 6.353 ( 2.795 -0.000 -2.584) 3.806 6.353 ( -2.795 0.000 2.584) 3.806 6.913 ( -16.567 0.000 2.019) 16.690 6.913 ( 16.567 -0.000 -2.019) 16.690 7.171 ( 11.142 -0.000 -4.053) 11.856 7.171 ( -11.142 0.000 4.053) 11.856 8.074 ( -4.364 0.000 0.991) 4.475 8.074 ( 4.364 -0.000 -0.991) 4.475 10.736 ( -24.748 0.000 0.514) 24.753 10.736 ( 24.748 -0.000 -0.514) 24.753 11.804 ( -9.543 0.000 1.384) 9.643 11.804 ( 9.543 -0.000 -1.384) 9.643 12.000 ( -18.701 0.000 1.832) 18.791 12.000 ( 18.701 -0.000 -1.832) 18.791 13.506 ( 1.321 -0.000 -3.162) 3.427 13.506 ( -1.321 0.000 3.162) 3.427 26.991 ( 0.584 -0.000 -1.103) 1.248 26.991 ( -0.584 0.000 1.103) 1.248 27.058 ( -0.635 0.000 -0.213) 0.670 27.058 ( 0.635 -0.000 0.213) 0.670 27.714 ( 0.072 -0.000 -1.630) 1.631 27.714 ( -0.072 0.000 1.630) 1.631 33.445 ( 3.319 -0.000 -6.251) 7.077 33.445 ( -3.319 0.000 6.251) 7.077 34.635 ( 4.318 -0.000 -9.535) 10.467 34.635 ( -4.318 0.000 9.535) 10.467 35.784 ( 2.273 -0.000 -2.465) 3.353 35.784 ( -2.273 0.000 2.465) 3.353 36.941 ( 1.127 -0.000 -2.858) 3.072 36.941 ( -1.127 0.000 2.858) 3.072 42.403 ( 0.704 -0.000 -5.082) 5.130 42.403 ( -0.704 0.000 5.082) 5.130 42.866 ( -1.547 0.000 0.499) 1.625 42.866 ( 1.547 -0.000 -0.499) 1.625 45.587 ( 3.266 -0.000 -1.820) 3.739 45.587 ( -3.266 0.000 1.820) 3.739 46.853 ( 2.681 -0.000 -0.900) 2.828 46.853 ( -2.681 0.000 0.900) 2.828 53.173 ( -17.550 0.000 -1.182) 17.590 53.173 ( 17.550 -0.000 1.182) 17.590 53.676 ( -6.538 0.000 -1.480) 6.704 53.676 ( 6.538 -0.000 1.480) 6.704 67.174 ( -5.674 0.000 -6.780) 8.841 67.174 ( 5.674 -0.000 6.780) 8.841 71.985 ( 4.140 -0.000 -4.841) 6.370 71.985 ( -4.140 0.000 4.841) 6.370 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 2.188 -8.761 2.910) 9.487 1.428 ( 10.841 -1.631 -11.181) 15.659 1.519 ( -3.472 -7.857 16.005) 18.165 1.808 ( 15.945 -7.619 -7.788) 19.312 2.415 ( 4.512 -4.899 -28.444) 29.213 2.532 ( 6.950 -4.534 29.538) 30.681 3.183 ( -2.997 1.130 2.069) 3.813 3.350 ( 7.561 -3.219 -2.793) 8.680 3.638 ( 4.924 -3.138 -1.915) 6.145 3.717 ( 10.708 -7.203 -0.018) 12.906 4.086 ( -4.684 0.869 2.259) 5.273 4.247 ( 10.176 1.803 2.920) 10.739 4.471 ( -5.807 -0.482 0.059) 5.828 4.592 ( 3.077 -5.354 -0.376) 6.186 4.805 ( -4.181 2.118 -0.803) 4.755 4.863 ( -1.129 0.666 0.218) 1.329 4.943 ( -2.721 2.420 -4.961) 6.154 5.056 ( 6.812 -2.247 1.052) 7.250 5.644 ( -3.368 -2.124 -7.951) 8.893 5.822 ( 8.207 -6.329 4.769) 11.408 6.335 ( -1.733 -0.725 2.171) 2.871 6.393 ( 3.080 -0.772 -2.214) 3.871 6.607 ( -17.009 9.766 3.925) 20.002 6.947 ( 4.427 9.693 0.420) 10.664 7.098 ( -3.275 -1.666 2.581) 4.490 7.312 ( 9.480 -1.652 -2.352) 9.906 7.956 ( -5.862 2.323 -0.504) 6.326 8.037 ( -3.656 3.132 1.136) 4.947 10.626 ( -8.095 -5.046 -2.028) 9.752 11.015 ( -0.930 7.479 -4.062) 8.562 11.620 ( -2.976 0.667 -0.134) 3.053 11.821 ( 4.546 3.356 -0.443) 5.668 11.990 ( 0.815 -3.392 -0.302) 3.502 12.568 ( 44.946 -24.821 1.314) 51.361 13.524 ( -0.635 -2.743 0.177) 2.821 13.744 ( 16.850 -15.478 -0.891) 22.897 26.988 ( -0.517 -0.265 0.953) 1.117 26.998 ( 0.627 -0.258 -1.072) 1.269 27.050 ( -0.637 -0.013 -0.051) 0.639 27.066 ( 0.613 -0.104 0.363) 0.720 27.692 ( -1.588 1.363 -0.295) 2.113 27.708 ( -0.420 0.440 0.287) 0.672 33.428 ( -1.728 -0.479 6.447) 6.691 33.480 ( 3.823 0.051 -5.957) 7.078 34.604 ( -4.096 -0.507 9.302) 10.176 34.677 ( 4.139 -0.477 -8.923) 9.848 35.764 ( -2.038 -0.191 2.400) 3.154 35.815 ( 2.385 -0.926 -1.680) 3.061 36.937 ( -1.015 -0.447 2.586) 2.814 36.955 ( 1.113 -0.554 -2.581) 2.864 42.394 ( -0.480 0.891 2.030) 2.268 42.421 ( 2.120 -1.304 -2.171) 3.303 42.840 ( -1.568 0.120 -0.207) 1.586 42.943 ( 5.591 -5.179 0.811) 7.664 45.586 ( -0.088 -0.644 1.089) 1.268 45.665 ( 7.187 -0.226 -0.783) 7.233 46.760 ( -7.717 4.453 0.599) 8.930 46.846 ( -0.334 1.900 -0.564) 2.010 53.188 ( 13.527 4.814 0.187) 14.359 53.742 ( 4.610 -6.560 -0.488) 8.033 54.040 ( 30.778 -30.827 3.961) 43.742 54.491 ( 114.159 -48.338 -8.476) 124.261 66.929 ( -16.960 12.773 -11.922) 24.350 67.223 ( 3.481 0.616 12.273) 12.772 72.021 ( -8.200 -12.017 3.241) 14.905 72.102 ( -0.034 -11.670 -4.560) 12.529 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 3.786 0.793 -6.769) 7.796 1.571 ( 4.581 -12.259 -0.213) 13.088 1.746 ( 5.677 -11.655 11.979) 17.651 1.940 ( 3.954 0.634 -11.096) 11.797 2.597 ( 6.907 -9.358 -7.662) 13.928 2.857 ( 16.314 -9.766 15.149) 24.311 3.138 ( 0.724 1.861 0.605) 2.087 3.460 ( 2.516 -3.179 -1.312) 4.261 3.732 ( 2.950 -1.310 -2.417) 4.033 3.923 ( 7.851 -2.146 -1.712) 8.317 4.058 ( -1.479 -1.298 2.629) 3.284 4.348 ( -4.126 -1.164 -0.830) 4.367 4.480 ( 12.260 -1.043 6.088) 13.728 4.639 ( -0.919 4.520 -0.360) 4.626 4.769 ( 2.029 -5.061 -3.469) 6.462 4.855 ( 6.333 0.304 -3.370) 7.181 4.942 ( -1.297 -5.190 0.876) 5.420 5.225 ( 5.722 -7.435 -0.863) 9.422 5.646 ( 0.382 -2.547 -8.460) 8.843 6.040 ( 8.029 -5.904 4.230) 10.826 6.246 ( -11.412 7.438 4.792) 14.440 6.347 ( -0.616 -1.019 1.022) 1.569 6.491 ( 3.482 -1.692 -0.654) 3.926 6.866 ( 5.897 2.876 1.311) 6.690 7.114 ( 2.195 -0.335 0.795) 2.359 7.427 ( 7.898 -0.090 -1.502) 8.040 7.908 ( -1.036 -0.646 -1.650) 2.053 7.933 ( -5.630 2.597 2.528) 6.695 10.536 ( -18.372 10.145 -2.041) 21.086 10.693 ( -4.530 5.369 0.656) 7.055 11.440 ( -17.895 8.583 0.085) 19.847 11.819 ( 3.891 3.073 -0.207) 4.962 12.037 ( -0.682 -1.917 -1.024) 2.278 13.541 ( 15.258 -3.264 0.081) 15.603 13.686 ( 38.303 -25.872 1.106) 46.236 14.296 ( 22.464 -21.471 -2.903) 31.210 26.991 ( -0.292 -0.472 0.636) 0.844 27.013 ( 0.909 -0.663 -1.031) 1.526 27.042 ( -0.603 0.041 0.097) 0.612 27.079 ( 0.740 -0.451 0.474) 0.987 27.638 ( -2.458 2.218 -0.147) 3.314 27.693 ( -0.644 0.720 0.115) 0.973 33.438 ( -0.319 -1.012 6.106) 6.197 33.512 ( 3.433 0.319 -6.221) 7.113 34.580 ( -3.659 -0.550 8.318) 9.104 34.716 ( 3.346 -0.329 -7.645) 8.352 35.748 ( -1.543 -0.073 1.707) 2.302 35.866 ( 2.691 -1.887 -0.929) 3.415 36.934 ( -1.204 -0.354 1.715) 2.125 36.978 ( 1.036 -1.190 -1.684) 2.308 42.375 ( -0.074 1.241 1.046) 1.625 42.486 ( 2.686 -2.813 -1.530) 4.179 42.866 ( 3.425 -2.763 0.372) 4.416 43.172 ( 11.669 -10.434 0.715) 15.670 45.557 ( -4.532 2.275 0.907) 5.152 45.737 ( 6.433 0.602 -0.286) 6.468 46.527 ( -13.222 9.126 0.313) 16.068 46.793 ( -1.938 2.749 -0.281) 3.375 53.293 ( 17.241 5.747 0.407) 18.178 53.958 ( 11.361 -7.685 0.080) 13.717 55.109 ( 49.279 -42.942 1.992) 65.394 56.958 ( 139.695 -48.887 -0.820) 148.005 66.386 ( -25.580 18.821 -12.790) 34.236 67.269 ( 2.864 1.843 16.753) 17.096 72.129 ( -11.424 -15.070 -2.836) 19.122 72.312 ( -3.203 -17.156 -2.415) 17.618 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.177 0.655 -5.235) 5.405 1.809 ( 3.428 -10.892 -1.330) 11.496 1.944 ( 4.164 0.014 -6.454) 7.681 2.015 ( 7.759 -7.938 7.982) 13.672 2.752 ( -0.603 -3.345 -0.204) 3.405 3.126 ( 7.544 -4.663 6.776) 11.161 3.238 ( 11.021 -6.105 -0.825) 12.626 3.495 ( -2.475 -1.301 -0.941) 2.951 3.729 ( -0.377 2.169 -1.179) 2.497 3.984 ( 3.818 1.966 -2.704) 5.075 4.088 ( 1.283 -1.665 3.073) 3.723 4.333 ( -2.354 -3.837 -0.790) 4.571 4.527 ( -0.812 2.359 2.035) 3.219 4.547 ( -0.445 4.797 -0.989) 4.918 4.862 ( 3.043 -0.997 1.123) 3.393 4.970 ( 1.673 -3.311 1.898) 4.167 5.050 ( 5.268 -0.768 -4.134) 6.740 5.445 ( 5.519 -10.729 -1.616) 12.174 5.669 ( 1.106 0.164 -3.565) 3.736 6.091 ( 1.969 -0.301 -3.841) 4.327 6.219 ( 1.472 -3.980 5.721) 7.123 6.358 ( -0.988 -0.774 1.732) 2.139 6.573 ( 8.521 -2.971 3.554) 9.699 7.106 ( 19.558 -6.752 -2.120) 20.799 7.185 ( 5.806 -8.674 1.850) 10.600 7.503 ( 6.250 0.728 -1.012) 6.373 7.840 ( -4.523 1.782 2.646) 5.535 7.916 ( 0.221 -0.647 -1.440) 1.594 9.995 ( -24.456 19.116 -0.060) 31.041 10.676 ( -0.234 0.080 -0.204) 0.321 10.982 ( -25.066 13.764 -0.166) 28.597 11.819 ( 4.826 3.461 -0.114) 5.940 12.038 ( -4.353 -2.379 -0.635) 5.001 13.627 ( 1.819 -2.840 -0.033) 3.373 14.522 ( 35.907 -14.794 2.217) 38.898 14.860 ( 17.415 -17.826 -3.581) 25.176 26.996 ( -0.149 -0.404 0.303) 0.527 27.035 ( 0.866 -0.667 -0.843) 1.381 27.035 ( -0.454 0.031 0.192) 0.494 27.104 ( 1.270 -1.188 0.442) 1.794 27.568 ( -2.694 2.546 -0.077) 3.708 27.673 ( -0.642 0.747 0.051) 0.986 33.466 ( 0.272 -1.301 5.780) 5.931 33.532 ( 2.728 0.523 -6.413) 6.988 34.559 ( -2.869 -0.353 6.446) 7.065 34.742 ( 2.224 0.038 -5.720) 6.137 35.735 ( -0.972 -0.021 1.017) 1.407 35.930 ( 2.653 -2.067 -0.504) 3.401 36.924 ( -1.341 -0.132 1.005) 1.681 37.008 ( 0.797 -1.268 -0.934) 1.765 42.359 ( 0.156 1.082 0.498) 1.201 42.544 ( 0.517 -2.018 -0.783) 2.226 43.013 ( 8.863 -5.639 0.503) 10.517 43.541 ( 16.344 -13.895 0.292) 21.454 45.411 ( -8.545 5.406 0.755) 10.139 45.810 ( 5.418 -0.699 -0.507) 5.486 46.169 ( -17.130 12.428 0.426) 21.167 46.719 ( -2.532 2.936 -0.162) 3.880 53.408 ( 13.332 3.399 0.164) 13.759 54.222 ( 13.219 -5.908 0.318) 14.483 56.503 ( 53.213 -52.462 -0.373) 74.726 58.954 ( 101.915 -13.444 4.075) 102.879 65.761 ( -25.149 17.029 -7.668) 31.325 67.275 ( 1.186 3.524 14.950) 15.406 72.202 ( -11.056 -12.319 -7.434) 18.146 72.533 ( -3.960 -15.564 0.003) 16.060 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.078 0.384 -3.023) 3.048 1.953 ( 4.048 -1.571 -6.427) 7.756 2.008 ( 1.957 -4.300 2.892) 5.540 2.229 ( 5.944 -6.253 5.115) 10.029 2.715 ( -3.351 2.359 -0.416) 4.119 3.284 ( 4.024 -4.143 2.793) 6.415 3.424 ( 1.596 -0.538 -0.766) 1.850 3.498 ( 1.952 -6.736 -0.455) 7.028 3.686 ( 0.823 2.992 0.045) 3.104 3.965 ( 1.110 3.051 -3.132) 4.511 4.135 ( 1.321 -1.212 2.510) 3.084 4.366 ( -1.368 -1.365 -0.193) 1.942 4.469 ( 1.165 3.794 0.464) 3.995 4.517 ( -0.490 -2.005 -0.676) 2.172 4.868 ( -0.966 1.786 1.108) 2.313 5.008 ( -2.301 -2.112 0.199) 3.130 5.069 ( 1.824 0.430 -0.980) 2.115 5.451 ( -2.387 4.973 -0.827) 5.578 5.796 ( 3.703 -6.536 -0.991) 7.577 6.156 ( 4.580 -0.720 -3.081) 5.567 6.257 ( -1.288 -1.756 1.456) 2.620 6.355 ( -1.340 0.082 2.328) 2.687 6.814 ( 9.092 -7.500 2.230) 11.995 7.287 ( 11.881 -3.515 -1.144) 12.443 7.548 ( 3.168 -0.143 -0.141) 3.174 7.697 ( 20.956 -17.240 0.870) 27.150 7.793 ( 0.415 -1.054 1.713) 2.054 7.926 ( 1.238 -0.441 -1.060) 1.689 9.395 ( -23.639 18.659 0.194) 30.117 10.413 ( -20.861 13.077 -0.583) 24.628 10.726 ( -0.697 -0.202 -0.075) 0.730 11.824 ( 4.195 2.707 0.009) 4.993 12.016 ( -4.613 -2.100 -0.343) 5.080 13.683 ( 1.118 -1.852 -0.017) 2.163 15.025 ( 19.930 -6.595 1.674) 21.059 15.221 ( 7.156 -9.373 -2.354) 12.025 27.000 ( -0.060 -0.204 0.078) 0.227 27.032 ( -0.247 -0.029 0.186) 0.311 27.049 ( 0.426 -0.286 -0.430) 0.670 27.144 ( 1.432 -1.421 0.202) 2.028 27.500 ( -2.081 2.014 -0.031) 2.896 27.656 ( -0.400 0.478 0.019) 0.624 33.498 ( 0.123 -1.210 5.280) 5.418 33.540 ( 1.729 0.671 -5.812) 6.101 34.543 ( -1.614 -0.149 3.576) 3.926 34.753 ( 1.078 0.158 -3.092) 3.278 35.728 ( -0.448 -0.015 0.465) 0.646 35.985 ( 1.723 -1.334 -0.238) 2.192 36.912 ( -0.943 -0.010 0.484) 1.060 37.031 ( 0.416 -0.772 -0.418) 0.971 42.347 ( 0.124 0.637 0.216) 0.684 42.565 ( -0.306 -0.893 -0.277) 0.984 43.213 ( 7.943 -4.973 0.249) 9.375 43.957 ( 15.173 -12.484 0.022) 19.649 45.227 ( -7.030 4.568 0.476) 8.397 45.760 ( -15.113 11.518 -0.698) 19.015 45.881 ( 2.639 -0.773 0.625) 2.820 46.650 ( -1.889 2.046 -0.088) 2.786 53.495 ( 7.043 1.326 0.012) 7.166 54.431 ( 8.549 -3.165 0.236) 9.119 57.933 ( 41.740 -51.752 -1.327) 66.500 59.759 ( 41.376 19.385 2.754) 45.775 65.301 ( -13.459 9.166 -1.999) 16.406 67.243 ( -0.189 2.962 8.385) 8.895 72.239 ( -6.576 -7.185 -5.877) 11.376 72.690 ( -2.585 -8.737 0.674) 9.137 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.064 ( -0.000 0.000 0.000) 0.000 2.331 ( -0.000 0.000 0.000) 0.000 2.662 ( -0.000 0.000 0.000) 0.000 3.343 ( -0.000 -0.000 -0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.613 ( -0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.155 ( -0.000 0.000 -0.000) 0.000 4.358 ( -0.000 0.000 0.000) 0.000 4.446 ( -0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.833 ( -0.000 0.000 0.000) 0.000 5.008 ( -0.000 0.000 0.000) 0.000 5.080 ( -0.000 0.000 0.000) 0.000 5.387 ( -0.000 0.000 0.000) 0.000 5.867 ( -0.000 0.000 0.000) 0.000 6.183 ( -0.000 0.000 0.000) 0.000 6.277 ( 0.000 -0.000 0.000) 0.000 6.337 ( -0.000 0.000 0.000) 0.000 6.924 ( -0.000 0.000 0.000) 0.000 7.425 ( -0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.795 ( -0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.118 ( -0.000 0.000 0.000) 0.000 9.009 ( -0.000 0.000 0.000) 0.000 10.145 ( -0.000 0.000 0.000) 0.000 10.728 ( -0.000 0.000 0.000) 0.000 11.829 ( -0.000 0.000 0.000) 0.000 12.003 ( -0.000 0.000 0.000) 0.000 13.706 ( -0.000 0.000 0.000) 0.000 15.204 ( -0.000 0.000 0.000) 0.000 15.330 ( -0.000 0.000 0.000) 0.000 27.001 ( -0.000 0.000 0.000) 0.000 27.031 ( -0.000 0.000 0.000) 0.000 27.053 ( -0.000 0.000 0.000) 0.000 27.167 ( -0.000 0.000 0.000) 0.000 27.469 ( -0.000 0.000 0.000) 0.000 27.650 ( 0.000 0.000 0.000) 0.000 33.516 ( -0.000 0.000 -0.000) 0.000 33.538 ( -0.000 -0.000 0.000) 0.000 34.538 ( -0.000 0.000 0.000) 0.000 34.755 ( -0.000 0.000 0.000) 0.000 35.726 ( -0.000 0.000 0.000) 0.000 36.007 ( -0.000 0.000 0.000) 0.000 36.906 ( -0.000 0.000 0.000) 0.000 37.039 ( -0.000 0.000 0.000) 0.000 42.343 ( -0.000 0.000 0.000) 0.000 42.569 ( -0.000 0.000 0.000) 0.000 43.309 ( -0.000 0.000 0.000) 0.000 44.180 ( 0.000 0.000 0.000) 0.000 45.144 ( -0.000 0.000 0.000) 0.000 45.539 ( -0.000 0.000 0.000) 0.000 45.908 ( -0.000 0.000 0.000) 0.000 46.620 ( -0.000 0.000 0.000) 0.000 53.527 ( -0.000 0.000 0.000) 0.000 54.510 ( -0.000 0.000 0.000) 0.000 58.798 ( -0.000 0.000 0.000) 0.000 59.646 ( -0.000 -0.000 0.000) 0.000 65.151 ( -0.000 0.000 0.000) 0.000 67.221 ( -0.000 0.000 0.000) 0.000 72.253 ( -0.000 0.000 0.000) 0.000 72.745 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 8.271 -0.000 0.982) 8.329 1.500 ( 7.558 -0.000 17.350) 18.925 1.619 ( 13.182 -0.000 -15.184) 20.108 1.950 ( 16.757 -0.000 -1.243) 16.803 2.401 ( 11.078 -0.000 -25.957) 28.222 2.658 ( 14.852 -0.000 27.162) 30.957 3.230 ( 4.741 -0.000 2.100) 5.186 3.403 ( 5.628 -0.000 -3.198) 6.473 3.756 ( 10.799 -0.000 -1.547) 10.909 3.764 ( 12.120 -0.000 0.061) 12.120 4.037 ( -2.768 0.000 2.926) 4.028 4.326 ( -1.570 0.000 -2.153) 2.665 4.497 ( 8.938 -0.000 3.755) 9.695 4.522 ( -1.481 0.000 -0.630) 1.609 4.808 ( -0.798 0.000 -0.689) 1.054 4.840 ( -1.436 0.000 -0.224) 1.454 4.927 ( -0.629 0.000 -8.126) 8.150 5.143 ( 10.238 -0.000 2.201) 10.472 5.610 ( 0.067 -0.000 -7.839) 7.840 5.835 ( 5.073 -0.000 3.391) 6.102 6.322 ( -0.536 0.000 2.387) 2.447 6.416 ( 2.238 -0.000 -2.682) 3.493 6.484 ( -16.593 0.000 4.162) 17.107 6.866 ( -12.587 0.000 6.099) 13.986 7.223 ( 9.293 -0.000 -2.651) 9.664 7.387 ( 6.572 -0.000 0.044) 6.572 7.893 ( -6.037 0.000 5.284) 8.023 7.959 ( -7.151 0.000 -6.507) 9.668 10.708 ( 8.718 -0.000 -0.070) 8.718 11.046 ( -14.413 0.000 -2.277) 14.592 11.521 ( -12.999 0.000 2.851) 13.308 11.608 ( -9.649 0.000 -4.569) 10.676 12.626 ( 55.849 -0.000 -16.904) 58.351 12.656 ( 30.388 -0.000 13.856) 33.398 13.721 ( 16.452 -0.000 -2.840) 16.696 13.740 ( 21.239 -0.000 3.907) 21.596 26.981 ( -0.427 0.000 0.896) 0.992 27.002 ( 0.627 -0.000 -1.061) 1.233 27.043 ( -0.423 0.000 -0.061) 0.428 27.072 ( 0.408 -0.000 0.627) 0.749 27.686 ( -1.855 0.000 -1.572) 2.431 27.692 ( -2.028 0.000 1.545) 2.549 33.422 ( -0.172 0.000 6.020) 6.023 33.520 ( 3.842 -0.000 -5.201) 6.466 34.568 ( -3.718 0.000 9.784) 10.467 34.707 ( 3.817 -0.000 -9.086) 9.855 35.751 ( -0.863 0.000 3.215) 3.329 35.828 ( 1.955 -0.000 -2.022) 2.813 36.925 ( -1.022 0.000 2.855) 3.032 36.957 ( 0.735 -0.000 -2.922) 3.013 42.431 ( 2.879 -0.000 3.830) 4.791 42.432 ( 3.857 -0.000 -3.608) 5.282 42.879 ( 3.459 -0.000 2.107) 4.050 42.927 ( 5.165 -0.000 -2.128) 5.586 45.588 ( -0.460 0.000 -0.701) 0.839 45.768 ( 7.490 -0.000 1.702) 7.681 46.692 ( -10.970 0.000 0.516) 10.982 46.818 ( -5.404 0.000 -0.478) 5.425 53.868 ( 21.691 -0.000 -0.856) 21.708 53.896 ( 28.131 -0.000 -2.176) 28.215 54.637 ( 122.056 -0.000 44.436) 129.893 55.304 ( 124.374 -0.000 -41.895) 131.240 66.868 ( -17.041 0.000 -6.797) 18.346 67.137 ( -10.927 0.000 4.947) 11.995 71.800 ( -12.432 0.000 5.262) 13.500 71.984 ( -2.239 0.000 -6.601) 6.970 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 9.899 -5.374 1.534) 11.367 1.680 ( 9.787 4.555 -15.046) 18.518 1.705 ( 10.945 -6.960 14.346) 19.340 2.074 ( 12.315 4.410 -3.287) 13.488 2.587 ( 14.399 -3.364 -9.751) 17.712 2.944 ( 14.511 -5.558 16.035) 22.329 3.278 ( 10.421 5.158 0.780) 11.654 3.446 ( 0.869 -0.777 -1.689) 2.052 3.789 ( 3.440 2.257 -0.355) 4.129 3.930 ( 0.317 -3.526 0.408) 3.564 4.101 ( 10.621 0.393 1.992) 10.813 4.265 ( -5.350 -0.420 -4.242) 6.841 4.604 ( 0.717 -3.259 -0.975) 3.477 4.619 ( 9.242 -6.069 2.479) 11.331 4.731 ( -1.406 4.624 -1.246) 4.991 4.909 ( 8.852 -4.774 0.015) 10.057 4.955 ( 7.116 1.113 -4.126) 8.301 5.276 ( 10.495 2.246 -0.022) 10.733 5.613 ( 2.608 -2.639 -7.335) 8.220 5.991 ( 4.177 -9.913 4.639) 11.714 6.235 ( -9.664 6.641 2.767) 12.048 6.336 ( -0.403 0.890 1.168) 1.523 6.462 ( -0.027 -3.774 -0.610) 3.823 6.802 ( -4.656 -6.122 5.069) 9.212 7.265 ( 8.942 5.547 -3.396) 11.057 7.477 ( 3.234 -2.918 0.798) 4.428 7.868 ( -3.144 0.035 3.844) 4.966 7.890 ( -0.927 -0.689 -4.676) 4.817 10.556 ( -17.688 16.021 0.100) 23.865 10.832 ( -1.113 3.656 0.023) 3.822 11.315 ( -20.372 5.800 0.498) 21.187 11.517 ( -16.054 -8.922 -1.940) 18.469 12.599 ( 33.334 29.822 1.675) 44.758 13.667 ( 27.363 -11.752 -5.301) 30.248 13.885 ( 38.277 -11.491 1.496) 39.993 14.259 ( 25.132 -16.960 1.118) 30.340 26.982 ( -0.097 -0.347 0.653) 0.746 27.012 ( 0.632 -0.501 -0.908) 1.214 27.040 ( -0.026 0.140 -0.118) 0.185 27.080 ( 0.352 -0.351 0.755) 0.904 27.638 ( -2.755 1.739 -0.364) 3.278 27.677 ( -2.165 -0.530 0.312) 2.251 33.439 ( 0.954 -0.391 5.376) 5.474 33.552 ( 3.395 0.463 -5.355) 6.358 34.544 ( -3.190 -0.384 9.397) 9.931 34.737 ( 2.858 -0.238 -8.418) 8.893 35.747 ( 0.077 0.578 2.606) 2.671 35.863 ( 2.155 -1.681 -1.498) 3.117 36.917 ( -1.319 -0.148 2.530) 2.857 36.966 ( 0.403 -0.963 -2.628) 2.828 42.447 ( 5.158 3.462 0.950) 6.285 42.514 ( 6.910 -0.678 -0.914) 7.003 42.910 ( 6.922 0.582 0.776) 6.990 43.129 ( 10.697 -11.000 -0.556) 15.354 45.542 ( -4.927 2.388 -0.446) 5.493 45.821 ( 3.126 0.927 1.436) 3.563 46.482 ( -15.352 6.462 -0.025) 16.657 46.742 ( -8.223 -1.049 -0.039) 8.290 53.868 ( 27.087 20.510 -0.332) 33.977 54.553 ( 51.524 -4.189 -1.044) 51.705 55.570 ( 100.212 29.336 13.960) 105.347 57.740 ( 135.936 -65.202 -0.523) 150.765 66.385 ( -24.729 21.570 -10.015) 34.309 67.135 ( -14.002 -12.978 9.718) 21.423 71.745 ( -14.623 -12.001 3.252) 19.194 72.023 ( -4.297 -10.975 -7.839) 14.155 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 10.453 6.616 -10.883) 16.476 1.725 ( 8.288 -6.678 2.965) 11.049 1.984 ( 11.516 -7.583 9.855) 16.948 2.147 ( 14.477 5.824 -4.221) 16.165 2.753 ( 8.324 -0.315 -0.624) 8.354 3.142 ( 3.639 -3.769 6.393) 8.265 3.348 ( 12.861 2.972 -0.947) 13.234 3.441 ( -2.937 -0.499 -0.416) 3.008 3.778 ( 1.034 2.188 -0.357) 2.446 3.953 ( -3.090 -3.221 0.333) 4.475 4.132 ( -0.103 1.883 0.063) 1.887 4.280 ( 2.417 -2.271 -1.123) 3.502 4.575 ( 0.353 4.967 -0.912) 5.062 4.648 ( 3.646 4.731 -0.280) 5.979 4.817 ( 1.017 -5.251 0.807) 5.409 5.012 ( 7.598 2.936 -0.284) 8.151 5.172 ( 10.053 1.833 -1.065) 10.274 5.350 ( 8.578 -9.672 -1.930) 13.071 5.694 ( 1.649 0.449 -4.316) 4.642 6.106 ( 1.686 0.069 -1.154) 2.044 6.170 ( 1.297 -5.238 3.549) 6.458 6.319 ( -2.340 -0.603 1.885) 3.065 6.555 ( 2.396 -7.120 4.575) 8.796 7.051 ( 13.797 -18.078 1.056) 22.766 7.296 ( 9.257 2.955 -2.749) 10.098 7.542 ( 1.362 -1.735 0.559) 2.276 7.824 ( -0.895 1.017 -2.350) 2.712 7.924 ( 3.427 -0.036 2.178) 4.061 10.002 ( -24.880 19.101 0.448) 31.370 10.788 ( 0.620 3.658 0.632) 3.764 10.875 ( -25.566 11.949 -1.136) 28.243 11.489 ( -17.528 -12.656 -1.077) 21.646 12.524 ( 28.808 26.457 1.232) 39.133 13.826 ( 20.420 9.621 -0.553) 22.580 14.672 ( 27.773 -19.138 -1.806) 33.777 14.802 ( 21.578 -14.469 0.997) 25.999 26.989 ( 0.110 -0.395 0.321) 0.521 27.027 ( 0.101 -0.647 -0.199) 0.685 27.039 ( 0.607 0.142 -0.509) 0.805 27.099 ( 0.854 -1.136 0.639) 1.559 27.571 ( -3.045 2.152 -0.197) 3.734 27.658 ( -2.166 -0.418 0.151) 2.212 33.469 ( 1.320 -0.547 4.972) 5.173 33.570 ( 2.850 0.943 -5.745) 6.482 34.531 ( -2.405 -0.495 8.160) 8.521 34.754 ( 1.547 -0.101 -7.083) 7.250 35.742 ( 0.657 0.892 1.590) 1.938 35.922 ( 2.153 -2.375 -0.809) 3.306 36.906 ( -1.535 -0.194 1.790) 2.366 36.988 ( 0.150 -1.648 -1.820) 2.460 42.447 ( 5.921 5.072 0.675) 7.826 42.590 ( 7.351 2.006 -0.729) 7.655 43.048 ( 10.029 -4.259 0.675) 10.917 43.498 ( 15.354 -14.999 -0.266) 21.466 45.394 ( -8.647 5.207 0.302) 10.098 45.845 ( 1.084 -0.912 0.270) 1.442 46.136 ( -18.822 10.547 -0.221) 21.576 46.657 ( -9.269 -1.633 0.196) 9.414 53.875 ( 27.344 20.050 0.006) 33.907 55.062 ( 71.136 34.324 1.577) 78.999 56.517 ( 65.031 -22.850 0.226) 68.929 59.867 ( 90.315 -21.886 11.228) 93.605 65.720 ( -25.638 18.508 -8.487) 32.739 67.164 ( -15.748 -10.044 13.577) 23.091 71.816 ( -12.246 -16.891 -2.323) 20.993 72.193 ( -4.996 -18.135 -5.556) 19.614 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 12.400 8.141 -5.533) 15.831 1.905 ( 5.174 -4.635 1.517) 7.111 2.195 ( 15.644 6.724 -1.734) 17.116 2.242 ( 8.595 -3.496 6.972) 11.606 2.783 ( 4.438 5.260 -0.864) 6.936 3.219 ( -1.829 -5.046 -0.032) 5.368 3.404 ( -3.887 -0.907 1.962) 4.448 3.473 ( 8.705 -1.098 -0.589) 8.794 3.752 ( 1.886 3.086 0.550) 3.658 3.961 ( -3.791 -2.115 -1.557) 4.611 4.114 ( -1.931 -1.444 1.906) 3.074 4.317 ( -1.305 -1.735 -1.386) 2.576 4.487 ( -0.842 4.823 -0.163) 4.899 4.665 ( 9.832 3.967 -0.570) 10.617 4.850 ( -2.421 -0.533 -0.098) 2.480 5.044 ( 5.437 2.582 0.765) 6.068 5.133 ( 4.689 6.699 -1.573) 8.327 5.519 ( 0.885 4.322 -1.494) 4.658 5.738 ( 5.182 -7.119 -1.291) 8.899 6.170 ( 0.326 -1.315 -0.104) 1.359 6.220 ( 0.659 -2.567 0.418) 2.683 6.314 ( -2.469 -1.412 2.955) 4.102 6.761 ( 4.789 -9.728 2.244) 11.073 7.359 ( 5.184 -1.705 -0.735) 5.507 7.539 ( 4.031 -5.372 0.620) 6.745 7.668 ( 19.319 -15.338 0.492) 24.672 7.813 ( 2.124 0.341 -4.724) 5.191 7.972 ( 6.017 1.265 3.413) 7.032 9.395 ( -25.198 18.247 0.432) 31.114 10.374 ( -19.436 12.171 -0.120) 22.933 10.762 ( -1.166 0.438 -0.580) 1.374 11.482 ( -17.501 -12.951 -0.931) 21.791 12.468 ( 26.970 22.716 0.866) 35.272 13.903 ( 20.215 11.467 0.037) 23.241 15.095 ( 7.501 -8.729 -2.813) 11.847 15.205 ( 15.705 -6.930 2.223) 17.309 26.997 ( 0.214 -0.267 0.089) 0.354 27.031 ( 0.092 0.017 0.229) 0.247 27.047 ( 0.289 -0.290 -0.496) 0.643 27.136 ( 1.198 -1.597 0.318) 2.022 27.503 ( -2.543 1.820 -0.116) 3.129 27.641 ( -1.963 -0.587 0.087) 2.051 33.500 ( 1.012 -0.432 4.849) 4.972 33.572 ( 2.040 1.396 -5.727) 6.238 34.528 ( -1.217 -0.508 5.992) 6.135 34.756 ( 0.304 0.001 -5.121) 5.130 35.740 ( 1.077 0.911 0.881) 1.663 35.977 ( 1.182 -1.796 -0.428) 2.193 36.896 ( -1.095 -0.463 1.219) 1.703 37.012 ( -0.210 -1.591 -1.198) 2.003 42.434 ( 5.974 5.503 0.369) 8.131 42.631 ( 7.452 3.710 -0.312) 8.330 43.238 ( 8.150 -4.003 0.340) 9.086 43.923 ( 14.239 -13.900 -0.169) 19.900 45.213 ( -7.025 4.174 0.465) 8.185 45.738 ( -17.165 10.181 -0.562) 19.965 45.873 ( -1.002 -2.123 0.082) 2.349 46.581 ( -8.797 -2.642 0.296) 9.189 53.877 ( 26.142 20.503 0.241) 33.224 55.229 ( 63.157 44.742 1.177) 77.409 57.711 ( 44.631 -39.492 -2.861) 59.663 60.530 ( 25.051 25.013 6.623) 36.015 65.258 ( -14.327 7.217 -2.813) 16.287 67.119 ( -17.310 -7.580 11.153) 21.942 71.973 ( -5.138 -16.343 -4.035) 17.600 72.429 ( -3.927 -18.092 -2.456) 18.676 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 14.324 9.219 -0.429) 17.039 1.981 ( 2.118 0.830 -0.703) 2.381 2.223 ( 11.407 9.156 0.636) 14.641 2.359 ( 2.722 0.937 4.694) 5.506 2.747 ( 6.548 4.980 -3.496) 8.939 3.266 ( -3.708 -4.909 -2.814) 6.765 3.385 ( -2.636 -1.342 3.613) 4.669 3.579 ( 4.220 -2.304 0.787) 4.872 3.716 ( 0.260 4.502 -0.114) 4.511 3.919 ( -3.765 0.137 -0.069) 3.768 4.125 ( -2.844 -2.340 1.763) 4.083 4.326 ( -1.300 -2.461 -1.762) 3.294 4.419 ( 0.034 2.799 -0.300) 2.815 4.702 ( 5.751 5.171 0.498) 7.750 4.817 ( -1.480 -0.410 -1.573) 2.199 5.062 ( -0.780 -0.443 -0.777) 1.187 5.121 ( 11.967 6.563 1.254) 13.706 5.444 ( 3.241 5.283 -1.777) 6.447 5.868 ( 2.714 -2.089 -1.436) 3.714 6.150 ( -4.258 -0.485 3.068) 5.271 6.285 ( -1.500 -3.941 0.246) 4.224 6.303 ( 0.917 0.878 0.963) 1.593 6.888 ( -1.935 -2.968 -0.324) 3.558 7.380 ( -5.747 -0.463 0.591) 5.796 7.584 ( 0.834 1.708 1.868) 2.665 7.775 ( -2.357 1.152 -7.607) 8.047 7.959 ( 2.779 2.558 5.133) 6.373 8.127 ( 2.270 -0.486 -0.883) 2.484 8.990 ( -2.341 -0.327 0.081) 2.365 10.160 ( 3.387 -1.074 0.536) 3.593 10.751 ( -1.484 -1.179 -0.579) 1.982 11.477 ( -16.231 -12.184 -0.789) 20.311 12.452 ( 26.126 19.928 0.636) 32.865 13.942 ( 18.881 13.345 0.325) 23.124 15.147 ( -8.106 0.638 -2.076) 8.391 15.380 ( 4.711 0.992 1.924) 5.184 27.002 ( 0.268 -0.041 -0.010) 0.271 27.033 ( 0.359 0.077 0.103) 0.381 27.051 ( -0.177 -0.132 -0.125) 0.254 27.163 ( -0.057 -0.463 0.106) 0.478 27.466 ( -0.589 0.071 -0.071) 0.598 27.632 ( -1.604 -1.010 0.054) 1.896 33.519 ( 0.293 0.009 4.232) 4.242 33.557 ( 0.983 1.689 -4.675) 5.067 34.537 ( 0.297 -0.493 2.942) 2.998 34.748 ( -0.743 -0.119 -2.536) 2.646 35.742 ( 1.462 0.868 0.379) 1.742 35.999 ( -0.612 -0.495 -0.165) 0.804 36.900 ( -0.080 -0.708 0.734) 1.023 37.027 ( -0.607 -1.039 -0.743) 1.414 42.420 ( 5.792 5.175 0.117) 7.768 42.655 ( 7.878 4.732 -0.014) 9.190 43.317 ( -0.134 1.163 0.023) 1.171 44.161 ( -0.857 -1.758 0.008) 1.955 45.140 ( 0.169 -0.671 0.166) 0.711 45.518 ( -1.623 -1.281 -0.465) 2.120 45.877 ( -3.495 -1.572 -0.128) 3.835 46.542 ( -6.910 -4.593 0.363) 8.305 53.847 ( 24.934 22.043 0.337) 33.282 55.192 ( 49.051 44.353 0.499) 66.132 58.632 ( 13.615 -25.787 -2.700) 29.285 59.893 ( -26.880 46.040 2.467) 53.370 65.123 ( -1.714 -1.945 -0.578) 2.656 67.052 ( -16.851 -8.947 4.769) 19.666 72.179 ( 2.482 -11.283 -0.382) 11.559 72.635 ( -1.780 -12.013 -1.388) 12.224 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 16.452 10.686 3.944) 20.011 1.946 ( -0.032 4.181 1.280) 4.372 2.167 ( 4.252 10.201 0.420) 11.059 2.286 ( -1.920 7.593 -1.246) 7.931 2.792 ( 8.701 1.661 -2.750) 9.275 3.241 ( -7.548 0.055 -1.134) 7.632 3.393 ( -1.451 -0.620 -0.491) 1.653 3.595 ( -1.225 7.699 0.698) 7.827 3.659 ( 3.894 -1.834 1.214) 4.472 3.906 ( -2.011 -2.154 3.033) 4.229 4.111 ( -3.602 -0.814 -0.718) 3.762 4.364 ( -1.504 -4.050 -2.253) 4.872 4.404 ( 3.049 0.921 0.457) 3.218 4.648 ( 2.187 6.249 0.134) 6.622 4.821 ( -2.396 -1.938 -1.118) 3.278 5.033 ( -4.395 0.333 -0.058) 4.408 5.185 ( 14.847 7.525 0.736) 16.662 5.450 ( 5.628 0.043 -1.063) 5.728 5.860 ( -0.707 4.712 -0.067) 4.765 6.108 ( -4.749 -0.438 4.043) 6.253 6.272 ( -2.275 -0.576 -0.101) 2.349 6.344 ( 1.498 -1.043 -1.653) 2.463 6.771 ( -15.691 6.351 -0.751) 16.944 7.225 ( -9.756 5.797 -2.216) 11.563 7.487 ( -7.960 1.569 2.678) 8.544 7.688 ( -14.666 9.304 -1.251) 17.413 7.843 ( -3.911 8.091 -4.440) 10.024 7.939 ( 0.220 1.602 3.399) 3.764 9.372 ( 23.146 -19.332 -0.135) 30.158 10.468 ( 22.171 -13.671 1.635) 26.098 10.764 ( -0.327 -2.097 -1.087) 2.384 11.482 ( -13.203 -11.070 -0.755) 17.246 12.456 ( 24.929 18.536 0.423) 31.068 13.932 ( 17.027 15.196 0.722) 22.833 14.885 ( -22.593 8.680 -1.852) 24.274 15.287 ( -7.206 9.229 2.130) 11.901 27.005 ( 0.298 0.163 -0.090) 0.351 27.037 ( 0.590 0.104 -0.066) 0.602 27.047 ( -0.537 0.137 0.238) 0.603 27.146 ( -1.630 1.111 -0.045) 1.973 27.490 ( 1.655 -2.057 -0.036) 2.640 27.635 ( -1.230 -1.517 0.032) 1.953 33.515 ( 0.214 1.272 -2.058) 2.429 33.533 ( -0.674 1.013 2.159) 2.478 34.559 ( 1.813 -0.372 -0.594) 1.944 34.735 ( -1.687 -0.302 0.514) 1.789 35.749 ( 1.913 0.834 -0.052) 2.088 35.977 ( -2.363 0.789 0.076) 2.493 36.917 ( 0.883 -0.638 0.285) 1.126 37.027 ( -0.994 -0.253 -0.355) 1.086 42.411 ( 5.549 4.500 -0.096) 7.145 42.666 ( 7.450 5.758 0.287) 9.420 43.206 ( -7.339 5.831 -0.251) 9.377 43.952 ( -16.539 10.838 -0.023) 19.773 45.236 ( 7.278 -5.033 -0.322) 8.854 45.738 ( 12.887 -12.532 0.373) 17.980 45.839 ( -4.428 -0.801 -0.748) 4.562 46.563 ( -4.836 -6.634 0.404) 8.220 53.782 ( 26.163 24.531 0.266) 35.865 55.014 ( 37.132 42.942 0.254) 56.770 58.326 ( -36.766 56.205 0.199) 67.163 58.980 ( -55.125 -3.377 -1.051) 55.238 65.296 ( 13.454 -11.822 0.402) 17.915 67.020 ( -16.035 -11.490 -2.578) 19.894 72.365 ( 7.591 -3.531 4.696) 9.599 72.748 ( 0.142 -3.396 -1.996) 3.942 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 15.878 14.454 4.245) 21.887 1.883 ( -1.763 3.318 8.917) 9.676 2.020 ( -0.348 9.481 -2.779) 9.886 2.114 ( 0.455 11.423 -4.683) 12.354 2.830 ( 1.388 3.360 -0.781) 3.719 3.087 ( -10.987 4.419 -4.681) 12.734 3.287 ( 1.305 9.858 -0.623) 9.964 3.542 ( 1.372 1.778 1.149) 2.523 3.740 ( 5.483 -0.756 1.419) 5.714 3.922 ( -1.386 -1.452 3.129) 3.718 4.078 ( -3.047 -0.684 -0.865) 3.240 4.376 ( -2.553 -1.211 -3.065) 4.168 4.469 ( 2.968 -2.303 0.920) 3.868 4.578 ( 1.055 4.573 -0.691) 4.744 4.799 ( -5.278 -1.094 0.197) 5.393 4.913 ( -11.524 3.208 -0.518) 11.973 5.212 ( 12.086 10.062 0.880) 15.751 5.537 ( 4.179 1.629 1.755) 4.816 5.708 ( -2.979 7.962 1.643) 8.658 6.074 ( -2.219 -0.501 4.098) 4.687 6.232 ( -4.892 3.008 -8.471) 10.235 6.352 ( -2.190 -2.188 -2.295) 3.854 6.450 ( -12.123 2.805 3.295) 12.872 6.993 ( -17.069 8.157 0.193) 18.919 7.265 ( -6.141 9.066 -4.226) 11.737 7.415 ( -7.064 0.265 3.762) 8.008 7.853 ( 3.537 -1.350 -3.507) 5.160 7.927 ( -0.313 0.602 2.368) 2.463 9.977 ( 24.229 -19.742 0.283) 31.255 10.790 ( 3.787 -0.791 -0.203) 3.874 11.010 ( 20.539 -16.863 0.946) 26.591 11.512 ( -8.115 -9.130 -1.426) 12.298 12.456 ( 23.663 18.332 0.142) 29.933 13.861 ( 10.703 16.588 2.112) 19.854 14.340 ( -32.263 16.442 -2.932) 36.330 14.930 ( -17.659 16.958 2.782) 24.640 27.004 ( 0.351 0.349 -0.307) 0.582 27.034 ( -0.874 0.470 0.665) 1.195 27.044 ( 0.793 0.141 -0.144) 0.818 27.104 ( -1.642 1.175 -0.207) 2.029 27.556 ( 2.420 -2.792 0.003) 3.695 27.649 ( -1.005 -1.885 0.006) 2.136 33.485 ( 0.550 1.876 -6.128) 6.433 33.513 ( -2.008 0.541 6.487) 6.812 34.589 ( 2.998 -0.096 -3.935) 4.948 34.717 ( -2.630 -0.262 3.599) 4.465 35.762 ( 2.448 0.813 -0.484) 2.624 35.923 ( -3.344 1.519 0.317) 3.686 36.938 ( 1.313 -0.207 -0.128) 1.336 37.010 ( -1.300 0.498 0.041) 1.393 42.410 ( 5.193 3.747 -0.331) 6.413 42.636 ( 3.151 6.833 0.781) 7.565 43.019 ( -4.983 6.235 -0.488) 7.997 43.541 ( -18.162 12.405 -0.355) 21.997 45.426 ( 8.691 -5.505 -0.707) 10.312 45.756 ( -6.031 0.621 0.593) 6.092 46.154 ( 15.440 -13.931 -0.654) 20.806 46.627 ( -3.922 -7.587 0.420) 8.552 53.717 ( 33.354 27.820 0.190) 43.433 54.741 ( 29.253 41.115 0.192) 50.460 56.785 ( -52.189 61.074 1.115) 80.343 57.970 ( -98.698 18.673 -2.412) 100.478 65.793 ( 25.470 -18.562 5.125) 31.930 67.012 ( -16.359 -12.830 -9.658) 22.923 72.473 ( 9.525 4.319 7.389) 12.805 72.733 ( 0.708 5.586 -2.773) 6.276 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 6.457 13.441 8.406) 17.118 1.743 ( -1.474 12.328 -1.501) 12.506 1.892 ( 3.949 10.380 -8.793) 14.165 1.982 ( 1.323 6.346 7.109) 9.621 2.684 ( -5.420 9.813 6.963) 13.197 2.813 ( -13.293 9.861 -11.993) 20.440 3.244 ( 11.980 6.196 -1.525) 13.573 3.480 ( -4.758 4.461 1.030) 6.603 3.787 ( 4.842 4.044 2.642) 6.840 3.914 ( -1.599 2.921 2.754) 4.322 4.065 ( -0.875 -1.082 -0.165) 1.401 4.253 ( -17.520 1.957 -5.978) 18.615 4.491 ( 5.619 1.929 0.582) 5.969 4.585 ( 0.503 -2.887 -0.070) 2.931 4.748 ( -4.291 -1.160 3.705) 5.787 4.769 ( -4.955 -1.494 -1.937) 5.526 5.150 ( 8.029 12.358 0.054) 14.737 5.339 ( -6.168 14.297 0.272) 15.573 5.717 ( 6.050 0.592 8.292) 10.281 5.984 ( -11.309 2.772 -6.560) 13.365 6.234 ( 7.514 -7.744 -4.977) 11.883 6.382 ( -3.432 -1.602 1.536) 4.087 6.408 ( 1.940 -3.276 0.565) 3.849 6.667 ( -16.216 2.317 1.860) 16.486 7.187 ( 4.869 3.097 -4.440) 7.281 7.333 ( -7.592 0.199 3.412) 8.326 7.911 ( 0.957 -2.148 2.198) 3.219 7.924 ( 0.542 -0.698 -2.849) 2.983 10.552 ( 21.009 -17.611 1.554) 27.458 10.853 ( 4.015 -1.652 -1.869) 4.727 11.436 ( 9.874 -10.477 5.483) 15.406 11.575 ( -1.006 -6.309 -5.452) 8.399 12.444 ( 24.346 19.275 -0.432) 31.055 13.364 ( -45.542 23.590 2.527) 51.352 13.903 ( 12.300 18.298 -2.907) 22.239 14.373 ( -22.655 21.437 2.941) 31.328 27.001 ( 0.438 0.499 -0.636) 0.920 27.015 ( -0.873 0.670 0.899) 1.421 27.051 ( 0.859 0.115 -0.067) 0.869 27.075 ( -1.058 0.497 -0.219) 1.189 27.628 ( 2.204 -2.579 0.054) 3.393 27.668 ( -1.020 -1.973 -0.038) 2.221 33.458 ( 1.284 1.446 -6.535) 6.815 33.486 ( -2.625 0.597 6.733) 7.251 34.620 ( 3.733 0.262 -6.475) 7.479 34.690 ( -3.511 0.113 6.184) 7.112 35.780 ( 2.907 0.835 -0.915) 3.160 35.858 ( -3.453 1.526 0.648) 3.830 36.952 ( 1.274 0.366 -0.603) 1.456 36.983 ( -1.363 0.898 0.555) 1.724 42.414 ( 4.511 2.960 -0.760) 5.449 42.526 ( -3.429 5.795 1.183) 6.837 42.926 ( 4.065 5.078 -0.015) 6.505 43.169 ( -13.968 9.168 -0.848) 16.729 45.578 ( 5.319 -2.430 -1.376) 6.008 45.679 ( -4.600 0.832 1.127) 4.809 46.515 ( 11.336 -10.762 -0.463) 15.638 46.699 ( -4.256 -7.368 0.440) 8.520 53.735 ( 49.905 31.804 0.401) 59.179 54.432 ( 23.654 37.733 -0.373) 44.535 55.298 ( -45.200 49.824 1.243) 67.283 56.120 (-116.144 44.891 -1.283) 124.524 66.424 ( 25.826 -18.185 11.956) 33.773 66.996 ( -17.139 -12.727 -14.909) 26.038 72.467 ( 7.940 11.330 5.592) 14.922 72.581 ( -0.544 12.941 -2.413) 13.175 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.092 12.491 -11.651) 17.082 1.514 ( 0.092 12.491 11.651) 17.082 1.801 ( 12.292 11.490 -12.061) 20.702 1.801 ( -12.292 11.490 12.061) 20.702 2.524 ( -1.719 8.043 -23.977) 25.348 2.524 ( 1.719 8.043 23.977) 25.348 3.307 ( -8.912 4.234 1.597) 9.995 3.307 ( 8.912 4.234 -1.597) 9.995 3.744 ( -4.719 8.252 -2.672) 9.874 3.744 ( 4.719 8.252 2.672) 9.874 4.112 ( -1.997 -1.898 -4.871) 5.596 4.112 ( 1.997 -1.898 4.871) 5.596 4.567 ( -5.457 0.232 -1.554) 5.678 4.567 ( 5.457 0.232 1.554) 5.678 4.797 ( 0.892 -5.033 -5.910) 7.814 4.797 ( -0.892 -5.033 5.910) 7.814 5.058 ( -4.878 9.212 -1.390) 10.516 5.058 ( 4.878 9.212 1.390) 10.516 5.788 ( -7.401 4.028 -10.158) 13.198 5.788 ( 7.401 4.028 10.158) 13.198 6.375 ( 1.265 0.607 -1.079) 1.770 6.375 ( -1.265 0.607 1.079) 1.770 6.594 ( -7.032 -12.713 0.014) 14.528 6.594 ( 7.032 -12.713 -0.014) 14.528 7.228 ( 3.604 1.682 -3.343) 5.195 7.228 ( -3.604 1.682 3.343) 5.195 7.958 ( -0.670 -3.326 -7.208) 7.967 7.958 ( 0.670 -3.326 7.208) 7.967 10.928 ( 0.189 -3.584 -9.785) 10.422 10.928 ( -0.189 -3.584 9.785) 10.422 11.597 ( -2.990 -2.179 -7.672) 8.518 11.597 ( 2.990 -2.179 7.672) 8.518 12.451 ( -30.192 21.089 -0.496) 36.832 12.451 ( 30.192 21.089 0.496) 36.832 13.806 ( -13.506 17.369 -0.500) 22.008 13.806 ( 13.506 17.369 0.500) 22.008 26.998 ( 0.571 0.450 -0.933) 1.183 26.998 ( -0.571 0.450 0.933) 1.183 27.059 ( -0.539 0.125 -0.308) 0.633 27.059 ( 0.539 0.125 0.308) 0.633 27.685 ( -0.257 -1.771 -1.448) 2.302 27.685 ( 0.257 -1.771 1.448) 2.302 33.454 ( 2.622 0.649 -6.798) 7.315 33.454 ( -2.622 0.649 6.798) 7.315 34.649 ( 3.864 0.546 -8.712) 9.546 34.649 ( -3.864 0.546 8.712) 9.546 35.800 ( 0.697 0.941 -2.926) 3.152 35.800 ( -0.697 0.941 2.926) 3.152 36.956 ( 0.763 0.760 -3.284) 3.456 36.956 ( -0.763 0.760 3.284) 3.456 42.420 ( 1.073 2.035 -3.374) 4.084 42.420 ( -1.073 2.035 3.374) 4.084 42.929 ( -5.842 4.367 -2.722) 7.785 42.929 ( 5.842 4.367 2.722) 7.785 45.624 ( 3.051 1.147 -2.318) 4.000 45.624 ( -3.051 1.147 2.318) 4.000 46.751 ( -4.947 -6.314 0.129) 8.022 46.751 ( 4.947 -6.314 -0.129) 8.022 53.914 ( -52.122 32.201 -5.507) 61.514 53.914 ( 52.122 32.201 5.507) 61.514 54.294 ( -12.753 42.553 -8.997) 45.325 54.294 ( 12.753 42.553 8.997) 45.325 66.961 ( -15.126 -12.300 -19.338) 27.460 66.961 ( 15.126 -12.300 19.338) 27.460 72.320 ( -0.207 15.865 -5.393) 16.758 72.320 ( 0.207 15.865 5.393) 16.758 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 13.555 -0.000 0.254) 13.557 1.763 ( 8.671 -0.000 -8.653) 12.250 1.834 ( 12.058 -0.000 7.682) 14.297 2.232 ( 8.279 -0.000 1.613) 8.434 2.787 ( 19.207 -0.000 -9.675) 21.506 3.057 ( 6.605 -0.000 11.662) 13.403 3.439 ( -1.542 0.000 -1.942) 2.480 3.479 ( 12.750 -0.000 1.742) 12.868 3.774 ( -5.295 0.000 6.753) 8.582 4.011 ( 11.687 -0.000 -5.410) 12.878 4.187 ( -5.108 0.000 -5.996) 7.876 4.220 ( 5.800 -0.000 2.423) 6.286 4.553 ( 6.690 -0.000 1.209) 6.799 4.687 ( 3.059 -0.000 -0.549) 3.108 4.777 ( 2.575 -0.000 0.920) 2.734 4.950 ( 7.458 -0.000 -1.022) 7.528 5.116 ( 16.165 -0.000 -5.302) 17.012 5.501 ( 15.654 -0.000 1.240) 15.703 5.601 ( 3.309 -0.000 -5.392) 6.326 5.920 ( 0.828 -0.000 5.470) 5.533 6.228 ( -0.982 0.000 -0.527) 1.114 6.374 ( 2.847 -0.000 2.277) 3.645 6.386 ( -4.722 0.000 0.111) 4.723 6.705 ( 0.023 -0.000 3.732) 3.732 7.430 ( -3.343 0.000 3.786) 5.050 7.435 ( 10.590 -0.000 -6.090) 12.217 7.843 ( -1.583 0.000 -6.384) 6.577 7.922 ( 6.430 -0.000 5.720) 8.606 10.500 ( -26.683 0.000 0.566) 26.689 10.658 ( -12.142 0.000 -0.328) 12.147 11.168 ( -17.463 0.000 2.564) 17.650 11.217 ( -20.778 0.000 -3.765) 21.116 13.430 ( 28.227 -0.000 18.916) 33.979 13.842 ( 45.795 -0.000 -25.901) 52.612 14.204 ( 23.018 -0.000 -2.427) 23.145 14.445 ( 30.688 -0.000 10.370) 32.393 26.982 ( 0.385 -0.000 0.571) 0.689 27.011 ( 0.221 -0.000 -0.593) 0.633 27.046 ( 0.887 -0.000 -0.518) 1.027 27.079 ( -0.017 0.000 0.978) 0.978 27.622 ( -3.046 0.000 -1.520) 3.405 27.635 ( -3.004 0.000 1.450) 3.336 33.462 ( 1.834 -0.000 4.568) 4.922 33.587 ( 3.026 -0.000 -4.956) 5.807 34.522 ( -2.535 0.000 9.632) 9.960 34.751 ( 1.869 -0.000 -8.424) 8.629 35.768 ( 1.380 -0.000 3.087) 3.381 35.870 ( 2.067 -0.000 -2.015) 2.887 36.905 ( -1.381 0.000 2.947) 3.254 36.953 ( -0.240 0.000 -3.136) 3.145 42.592 ( 9.495 -0.000 2.984) 9.952 42.605 ( 11.534 -0.000 -2.749) 11.857 43.045 ( 9.116 -0.000 2.898) 9.566 43.138 ( 12.914 -0.000 -2.887) 13.232 45.494 ( -6.859 0.000 -0.817) 6.908 45.824 ( -3.181 0.000 1.849) 3.679 46.342 ( -17.735 0.000 -0.798) 17.753 46.596 ( -12.893 0.000 0.415) 12.899 54.609 ( 40.200 -0.000 -1.897) 40.244 54.817 ( 49.143 -0.000 -0.260) 49.144 58.032 ( 105.850 -0.000 -74.022) 129.165 58.151 ( 129.245 -0.000 101.365) 164.253 66.364 ( -22.477 0.000 -6.909) 23.515 66.666 ( -29.063 0.000 1.627) 29.109 71.468 ( -15.497 0.000 7.894) 17.392 71.862 ( -5.099 0.000 -12.351) 13.362 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 12.597 -0.919 1.837) 12.763 1.845 ( 9.699 1.207 -11.194) 14.860 2.044 ( 12.583 -4.899 12.282) 18.253 2.329 ( 7.874 -0.573 -0.915) 7.948 2.936 ( 12.059 3.703 -4.026) 13.241 3.115 ( -1.599 -1.877 4.264) 4.926 3.388 ( -3.865 1.258 -1.181) 4.233 3.594 ( 8.132 -0.099 0.497) 8.148 3.756 ( 0.029 0.245 6.430) 6.435 4.024 ( 7.788 10.028 -5.273) 13.749 4.122 ( -2.418 1.154 -3.595) 4.484 4.265 ( -0.284 -1.527 1.453) 2.127 4.629 ( -0.711 1.036 0.676) 1.427 4.729 ( 1.712 -1.429 0.314) 2.252 4.819 ( 7.593 3.100 -0.504) 8.217 5.180 ( 9.711 -11.757 -0.918) 15.277 5.226 ( 11.393 4.304 -0.767) 12.203 5.524 ( 13.789 10.575 -2.592) 17.569 5.682 ( 1.138 -1.307 -1.783) 2.487 6.065 ( 3.706 -8.588 3.787) 10.091 6.210 ( 6.069 5.570 -2.101) 8.501 6.308 ( -2.027 1.472 1.937) 3.167 6.467 ( 2.187 -5.321 4.030) 7.024 6.942 ( 16.662 -18.083 0.291) 24.591 7.372 ( -3.370 0.884 3.001) 4.598 7.567 ( 9.585 -0.775 -4.487) 10.612 7.821 ( -0.093 0.088 -6.347) 6.348 8.019 ( 8.829 1.022 6.058) 10.756 9.987 ( -27.195 17.327 0.385) 32.248 10.601 ( -18.098 -10.734 -0.335) 21.045 10.777 ( -22.552 11.932 0.011) 25.514 11.115 ( -16.541 -10.039 -1.022) 19.376 13.414 ( 31.519 33.019 5.555) 45.984 14.328 ( 30.445 12.004 -4.919) 33.094 14.583 ( 19.270 -21.416 -6.803) 29.601 14.921 ( 25.239 -10.481 7.257) 28.276 26.990 ( 0.664 -0.051 0.299) 0.730 27.018 ( 0.210 -0.618 -0.243) 0.697 27.053 ( 0.916 0.559 -0.442) 1.161 27.090 ( 0.465 -1.086 0.728) 1.388 27.562 ( -3.358 1.673 -0.520) 3.787 27.613 ( -3.110 -1.099 0.459) 3.331 33.493 ( 2.088 -0.041 4.064) 4.569 33.607 ( 2.554 0.661 -4.999) 5.653 34.513 ( -1.709 -0.319 9.015) 9.181 34.754 ( 0.559 -0.098 -7.716) 7.737 35.781 ( 1.947 1.361 2.198) 3.236 35.909 ( 1.928 -1.945 -1.384) 3.068 36.890 ( -1.472 0.171 2.374) 2.798 36.956 ( -0.527 -1.470 -2.506) 2.953 42.648 ( 10.927 6.787 0.935) 12.897 42.761 ( 13.865 2.287 -1.031) 14.090 43.134 ( 10.513 0.192 1.479) 10.619 43.450 ( 15.677 -13.683 -1.043) 20.835 45.364 ( -8.985 4.005 -0.253) 9.840 45.787 ( -6.027 -2.571 1.601) 6.745 46.048 ( -19.749 7.463 -1.733) 21.183 46.462 ( -14.869 -3.991 0.733) 15.413 54.724 ( 45.196 31.433 -0.727) 55.057 55.868 ( 58.846 -28.641 0.116) 65.446 58.026 ( 89.946 75.881 -9.146) 118.033 60.393 ( 76.117 -40.938 34.608) 93.099 65.728 ( -26.629 23.829 -7.868) 36.590 66.626 ( -29.278 -24.232 4.784) 38.305 71.416 ( -12.537 -13.287 7.460) 19.733 71.872 ( -5.282 -11.815 -13.745) 18.879 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 10.571 3.408 -6.760) 13.002 1.963 ( 10.086 -0.590 3.344) 10.642 2.285 ( 10.079 -4.886 10.587) 15.413 2.429 ( 8.038 0.147 -3.755) 8.873 2.942 ( 2.075 5.591 -2.875) 6.620 3.111 ( -4.052 -3.033 0.059) 5.062 3.343 ( -2.626 -0.901 0.403) 2.806 3.687 ( 10.800 3.720 1.140) 11.480 3.771 ( -1.875 -2.512 4.940) 5.851 3.939 ( 5.611 9.063 -4.383) 11.525 4.077 ( -2.126 0.592 -1.370) 2.598 4.279 ( -1.074 -1.346 0.195) 1.733 4.568 ( -0.145 4.741 0.612) 4.782 4.760 ( 1.338 -0.326 0.361) 1.424 4.829 ( 0.736 1.418 -1.800) 2.406 5.146 ( 0.368 6.129 -1.548) 6.332 5.432 ( 11.626 7.651 0.928) 13.949 5.605 ( 13.476 -1.248 -1.755) 13.647 5.711 ( 3.859 -1.750 -0.977) 4.348 6.148 ( -1.920 -0.222 2.910) 3.493 6.190 ( 0.200 1.249 0.069) 1.267 6.326 ( 6.277 1.391 0.652) 6.462 6.643 ( 3.303 -10.800 1.968) 11.464 7.332 ( -4.419 -1.269 2.622) 5.293 7.514 ( 19.085 -15.418 -1.376) 24.574 7.686 ( 7.411 -4.083 1.776) 8.645 7.839 ( 7.282 -1.438 -10.274) 12.674 8.108 ( 8.825 2.865 6.116) 11.112 9.370 ( -26.980 17.859 0.432) 32.358 10.340 ( -15.912 10.553 -0.537) 19.101 10.553 ( -18.885 -11.266 0.381) 21.994 11.103 ( -14.140 -11.460 -1.107) 18.234 13.286 ( 32.358 31.323 2.073) 45.083 14.435 ( 27.707 16.326 -0.772) 32.168 14.993 ( 5.120 -11.436 -4.461) 13.300 15.308 ( 15.159 -5.478 3.865) 16.576 26.999 ( 0.609 -0.053 0.085) 0.617 27.032 ( 0.539 -0.489 -0.072) 0.732 27.050 ( 0.244 0.484 -0.077) 0.547 27.124 ( 1.012 -1.627 0.278) 1.936 27.497 ( -2.872 1.519 -0.270) 3.260 27.595 ( -3.004 -1.257 0.227) 3.265 33.522 ( 1.766 0.193 3.979) 4.357 33.610 ( 1.839 1.388 -5.027) 5.530 34.519 ( -0.607 -0.557 7.550) 7.594 34.744 ( -0.633 -0.146 -6.437) 6.470 35.783 ( 2.206 1.665 1.258) 3.036 35.958 ( 0.897 -1.881 -0.738) 2.210 36.879 ( -0.964 -0.368 1.684) 1.975 36.974 ( -0.818 -2.014 -1.727) 2.776 42.653 ( 10.776 8.851 0.521) 13.955 42.851 ( 14.516 7.026 -0.527) 16.135 43.284 ( 8.065 -2.510 0.710) 8.476 43.867 ( 13.955 -14.097 -0.419) 19.840 45.192 ( -7.062 3.711 0.242) 7.981 45.664 ( -18.658 7.060 0.988) 19.974 45.783 ( -6.103 -3.221 -1.835) 7.141 46.366 ( -14.687 -6.237 0.765) 15.975 54.761 ( 47.443 33.864 -0.305) 58.289 56.815 ( 69.036 18.741 3.667) 71.629 57.999 ( 54.986 25.947 -9.700) 61.569 61.127 ( 12.277 19.364 17.309) 28.728 65.195 ( -15.164 8.238 -2.602) 17.453 66.626 ( -30.474 -19.552 7.723) 37.022 71.603 ( -4.858 -21.636 4.133) 22.557 72.057 ( -4.298 -20.171 -9.996) 22.919 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 9.720 4.700 -2.613) 11.108 2.072 ( 8.580 1.830 3.377) 9.401 2.428 ( 3.924 0.892 7.765) 8.746 2.483 ( 7.849 4.995 -3.297) 9.870 2.851 ( -2.461 1.873 -6.094) 6.833 3.131 ( -5.061 -5.067 1.241) 7.268 3.349 ( 0.947 -1.375 -0.253) 1.689 3.720 ( 7.148 6.013 3.587) 10.006 3.804 ( -2.395 -3.575 3.401) 5.484 3.866 ( 7.014 8.401 -4.484) 11.827 4.049 ( -3.392 -1.205 0.579) 3.646 4.289 ( -0.181 -1.137 -1.105) 1.596 4.503 ( 2.646 4.896 0.673) 5.606 4.765 ( -1.003 0.346 0.072) 1.064 4.798 ( -1.056 1.343 -1.509) 2.279 5.063 ( -1.644 2.967 -1.415) 3.676 5.417 ( 10.267 7.808 0.319) 12.902 5.690 ( 16.408 10.397 -1.442) 19.478 5.852 ( 4.834 -5.122 -1.709) 7.248 6.099 ( -4.698 0.907 4.010) 6.242 6.184 ( -3.571 -2.611 1.319) 4.616 6.371 ( 7.204 3.068 -0.056) 7.830 6.785 ( -4.176 -5.010 0.471) 6.539 7.305 ( -3.990 -1.011 0.259) 4.124 7.613 ( -4.065 3.172 3.532) 6.250 7.781 ( 2.171 1.698 -9.170) 9.575 8.058 ( 2.623 4.396 6.055) 7.929 8.157 ( 3.249 0.610 -2.195) 3.968 8.953 ( -2.637 -0.367 0.162) 2.667 10.181 ( 4.161 -2.417 0.430) 4.831 10.519 ( -18.119 -12.546 0.206) 22.039 11.131 ( -11.411 -11.638 -1.154) 16.340 13.210 ( 33.147 28.133 0.746) 43.483 14.482 ( 25.404 17.987 0.394) 31.129 15.047 ( -9.128 0.550 -2.682) 9.530 15.457 ( 3.761 1.664 2.132) 4.632 27.007 ( 0.532 -0.018 0.005) 0.532 27.044 ( 0.882 0.312 0.213) 0.960 27.046 ( -0.181 -0.123 -0.237) 0.323 27.152 ( -0.132 -0.785 0.142) 0.808 27.457 ( -0.948 0.089 -0.165) 0.967 27.584 ( -2.721 -1.633 0.134) 3.177 33.539 ( 1.013 0.664 4.070) 4.247 33.592 ( 0.997 1.997 -4.770) 5.267 34.540 ( 0.705 -0.736 5.270) 5.367 34.725 ( -1.515 -0.298 -4.599) 4.851 35.787 ( 2.503 1.546 0.689) 3.022 35.978 ( -0.966 -0.699 -0.388) 1.254 36.887 ( 0.126 -1.043 1.212) 1.604 36.991 ( -1.163 -1.843 -1.236) 2.505 42.636 ( 10.418 9.300 0.196) 13.966 42.900 ( 14.698 8.746 -0.045) 17.103 43.342 ( -0.311 2.209 0.083) 2.232 44.109 ( -1.595 -2.776 0.046) 3.202 45.128 ( 0.580 -1.320 0.225) 1.459 45.459 ( -3.067 -2.687 -0.526) 4.111 45.767 ( -7.230 -4.086 -0.574) 8.324 46.317 ( -12.928 -8.531 0.741) 15.507 54.789 ( 50.862 36.752 -0.229) 62.752 56.863 ( 67.503 67.870 2.780) 95.764 58.423 ( 10.655 -14.550 -6.083) 19.033 60.356 ( -32.548 55.148 5.023) 64.233 65.061 ( -1.737 -2.802 0.011) 3.296 66.562 ( -29.797 -17.721 6.028) 35.188 71.953 ( 2.998 -21.447 3.135) 21.881 72.336 ( -3.045 -20.698 -5.627) 21.665 ======================= Grid point 334 (161/172) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 7.223 4.600 1.470) 8.689 2.114 ( 7.761 6.128 2.542) 10.211 2.371 ( -0.173 8.560 1.567) 8.704 2.433 ( 4.777 9.463 -0.653) 10.621 2.845 ( -0.370 -2.799 -5.319) 6.022 3.109 ( -10.107 -2.904 0.575) 10.532 3.416 ( 6.088 -1.434 -1.360) 6.401 3.677 ( -2.248 3.309 2.167) 4.550 3.821 ( 7.617 5.073 3.209) 9.698 3.865 ( 7.046 2.261 -0.182) 7.402 4.025 ( -5.002 -1.909 0.257) 5.360 4.305 ( -0.780 -1.612 -2.486) 3.063 4.488 ( 5.640 3.331 0.855) 6.605 4.723 ( -0.969 2.828 -0.773) 3.088 4.769 ( -2.295 -0.008 -0.184) 2.302 4.990 ( -4.967 2.099 -0.598) 5.426 5.464 ( 12.352 3.240 -0.173) 12.771 5.692 ( 16.095 13.913 -1.287) 21.314 5.922 ( 2.144 1.934 -1.411) 3.214 6.040 ( -5.334 -0.939 4.538) 7.066 6.186 ( -4.487 -3.417 1.257) 5.778 6.396 ( 4.359 3.949 -2.675) 6.461 6.663 ( -15.088 5.095 1.974) 16.047 7.233 ( -3.819 5.880 -4.707) 8.444 7.437 ( -9.581 5.009 3.514) 11.368 7.643 ( -15.959 8.143 0.437) 17.922 7.922 ( -0.701 6.508 -6.010) 8.886 8.004 ( -1.475 6.724 4.464) 8.205 9.344 ( 23.881 -19.536 -0.348) 30.856 10.454 ( -0.122 -15.683 -0.661) 15.697 10.549 ( 0.980 -13.060 2.307) 13.298 11.198 ( -7.931 -11.698 -1.572) 14.220 13.184 ( 34.170 26.349 -0.053) 43.149 14.465 ( 19.362 19.676 2.385) 27.708 14.771 ( -19.163 10.521 -3.273) 22.105 15.347 ( -7.882 9.407 1.640) 12.382 27.012 ( 0.500 0.129 -0.093) 0.525 27.040 ( -0.526 0.055 0.288) 0.603 27.053 ( 1.184 0.371 -0.211) 1.258 27.140 ( -1.762 0.730 0.079) 1.909 27.476 ( 1.424 -1.943 -0.104) 2.411 27.583 ( -2.376 -2.132 0.088) 3.193 33.537 ( 0.225 1.250 3.369) 3.601 33.559 ( 0.273 2.240 -3.584) 4.235 34.574 ( 1.948 -0.760 2.335) 3.134 34.704 ( -2.179 -0.495 -2.133) 3.089 35.797 ( 2.924 1.381 0.272) 3.245 35.956 ( -2.738 0.520 -0.127) 2.790 36.915 ( 1.138 -1.193 0.806) 1.835 36.999 ( -1.492 -1.253 -0.857) 2.128 42.613 ( 9.996 8.893 -0.040) 13.380 42.913 ( 11.103 10.366 0.425) 15.195 43.226 ( -4.461 6.284 -0.413) 7.718 43.907 ( -17.644 9.542 0.136) 20.059 45.243 ( 8.027 -5.541 -0.142) 9.755 45.664 ( 5.291 -11.632 0.629) 12.794 45.748 ( -0.991 -5.573 -1.415) 5.835 46.330 ( -10.815 -10.741 0.683) 15.258 54.828 ( 57.810 39.793 -0.406) 70.183 56.506 ( 56.061 68.719 1.944) 88.707 58.318 ( -48.756 4.900 -2.751) 49.079 58.870 ( -43.933 67.650 1.195) 80.672 65.261 ( 14.835 -13.548 -0.778) 20.106 66.509 ( -28.040 -18.596 1.897) 33.700 72.314 ( 6.928 -14.775 4.421) 16.907 72.584 ( -2.284 -14.696 -3.818) 15.355 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.653 5.499 3.908) 7.672 2.054 ( 0.381 8.309 0.519) 8.334 2.234 ( 6.930 12.127 0.034) 13.967 2.313 ( 1.851 10.587 -0.674) 10.769 2.858 ( -0.542 0.527 -1.535) 1.711 2.990 ( -10.958 1.266 -2.357) 11.280 3.498 ( 7.641 2.851 -1.444) 8.282 3.597 ( -1.097 3.737 1.372) 4.129 3.867 ( 6.687 0.697 2.555) 7.192 3.927 ( 7.817 2.098 0.584) 8.115 4.003 ( -1.565 -1.201 1.685) 2.594 4.283 ( -7.170 -0.304 -4.393) 8.414 4.529 ( 6.865 1.681 1.539) 7.233 4.657 ( -0.944 4.174 -0.687) 4.334 4.736 ( -2.848 0.381 0.852) 2.997 4.840 ( -10.512 4.822 -0.811) 11.594 5.573 ( 14.616 8.669 0.393) 16.998 5.653 ( 10.020 6.665 0.066) 12.034 5.825 ( -2.294 9.472 0.647) 9.767 6.005 ( -8.631 -1.355 1.614) 8.885 6.184 ( -3.616 -1.355 -4.995) 6.313 6.206 ( -13.024 3.433 1.015) 13.507 6.533 ( 9.316 6.160 2.302) 11.403 6.939 ( -19.053 11.683 -1.143) 22.379 7.306 ( -1.433 3.558 -5.197) 6.460 7.373 ( -6.787 3.828 5.512) 9.544 7.888 ( 3.497 1.450 -4.763) 6.084 7.937 ( -1.554 1.787 3.993) 4.642 9.958 ( 24.665 -19.654 0.084) 31.538 10.508 ( -19.558 -16.037 -0.830) 25.306 11.004 ( 18.670 -16.137 3.550) 24.931 11.302 ( -5.717 -11.921 -3.009) 13.559 13.191 ( 36.594 26.083 -0.857) 44.946 14.083 ( -31.830 21.224 3.142) 38.386 14.508 ( 17.892 18.777 -3.417) 26.160 14.985 ( -17.903 16.513 1.884) 24.428 27.015 ( 0.578 0.284 -0.290) 0.707 27.030 ( -0.778 0.233 0.428) 0.918 27.061 ( 1.353 0.528 -0.112) 1.457 27.101 ( -1.899 1.052 -0.000) 2.171 27.539 ( 2.310 -2.810 -0.056) 3.637 27.594 ( -2.125 -2.547 0.054) 3.318 33.515 ( 0.573 1.938 -3.354) 3.916 33.522 ( -0.860 1.768 3.417) 3.942 34.615 ( 2.862 -0.564 -0.909) 3.055 34.682 ( -2.790 -0.524 0.859) 2.965 35.814 ( 3.406 1.269 -0.093) 3.636 35.902 ( -3.697 1.213 0.111) 3.892 36.949 ( 1.618 -0.693 0.450) 1.817 36.992 ( -1.696 -0.489 -0.498) 1.834 42.593 ( 9.243 8.198 -0.254) 12.357 42.790 ( -3.497 10.554 0.648) 11.138 43.131 ( 8.020 7.470 -0.468) 10.970 43.504 ( -19.107 11.295 -0.021) 22.196 45.446 ( 9.470 -5.490 -0.421) 10.954 45.660 ( -8.244 -2.616 0.435) 8.660 46.101 ( 14.232 -14.761 -0.804) 20.520 46.390 ( -9.783 -11.859 0.618) 15.386 54.938 ( 69.838 42.053 -0.565) 81.524 56.060 ( 42.195 63.279 1.069) 76.065 57.006 ( -75.164 46.903 3.195) 88.655 57.423 ( -56.298 49.191 -3.850) 74.860 65.803 ( 26.811 -20.270 1.860) 33.662 66.480 ( -26.901 -19.201 -3.064) 33.192 72.574 ( 7.258 -5.774 5.866) 10.974 72.713 ( -2.806 -5.674 -4.293) 7.648 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -1.409 9.211 -5.534) 10.837 1.895 ( 1.409 9.211 5.534) 10.837 2.130 ( -0.555 11.203 -8.041) 13.802 2.130 ( 0.555 11.203 8.041) 13.802 2.822 ( -4.737 6.474 -5.616) 9.793 2.822 ( 4.737 6.474 5.616) 9.793 3.497 ( -5.967 6.471 0.527) 8.818 3.497 ( 5.967 6.471 -0.527) 8.818 3.939 ( 2.229 0.847 -5.398) 5.902 3.939 ( -2.229 0.847 5.398) 5.902 4.082 ( -13.972 2.270 -6.068) 15.401 4.082 ( 13.972 2.270 6.068) 15.401 4.571 ( -2.814 1.947 -1.227) 3.635 4.571 ( 2.814 1.947 1.227) 3.635 4.710 ( -0.439 0.240 -4.869) 4.895 4.710 ( 0.439 0.240 4.869) 4.895 5.490 ( -8.072 15.414 -0.217) 17.401 5.490 ( 8.072 15.414 0.217) 17.401 5.841 ( -12.789 -0.243 -6.692) 14.436 5.841 ( 12.789 -0.243 6.692) 14.436 6.196 ( 1.366 -5.329 -4.062) 6.838 6.196 ( -1.366 -5.329 4.062) 6.838 6.576 ( -13.114 6.697 -0.595) 14.737 6.576 ( 13.114 6.697 0.595) 14.737 7.279 ( 4.629 2.012 -5.708) 7.620 7.279 ( -4.629 2.012 5.708) 7.620 7.909 ( 1.349 -0.179 -6.280) 6.426 7.909 ( -1.349 -0.179 6.280) 6.426 10.528 ( -17.864 -16.953 -2.803) 24.787 10.528 ( 17.864 -16.953 2.803) 24.787 11.407 ( -6.422 -11.474 -8.409) 15.608 11.407 ( 6.422 -11.474 8.409) 15.608 13.240 ( -39.061 26.200 0.417) 47.036 13.240 ( 39.061 26.200 -0.417) 47.036 14.440 ( -14.919 20.490 -2.102) 25.433 14.440 ( 14.919 20.490 2.102) 25.433 27.016 ( 0.700 0.500 -0.605) 1.052 27.016 ( -0.700 0.500 0.605) 1.052 27.069 ( -0.745 0.529 -0.490) 1.036 27.069 ( 0.745 0.529 0.490) 1.036 27.611 ( -0.865 -2.711 -1.106) 3.053 27.611 ( 0.865 -2.711 1.106) 3.053 33.490 ( 1.509 1.593 -6.573) 6.930 33.490 ( -1.509 1.593 6.573) 6.930 34.655 ( 2.127 -0.229 -7.952) 8.235 34.655 ( -2.127 -0.229 7.952) 8.235 35.837 ( -0.575 1.285 -2.964) 3.281 35.837 ( 0.575 1.285 2.964) 3.281 36.974 ( 0.244 0.139 -3.934) 3.944 36.974 ( -0.244 0.139 3.934) 3.944 42.570 ( -3.606 7.413 -2.214) 8.535 42.570 ( 3.606 7.413 2.214) 8.535 43.141 ( -9.583 8.619 -3.201) 13.280 43.141 ( 9.583 8.619 3.201) 13.280 45.609 ( -4.262 -2.339 -0.833) 4.932 45.609 ( 4.262 -2.339 0.833) 4.932 46.462 ( -9.406 -11.762 0.156) 15.062 46.462 ( 9.406 -11.762 -0.156) 15.062 55.130 ( -57.951 44.773 -5.402) 73.431 55.130 ( 57.951 44.773 5.402) 73.431 55.891 ( -39.339 54.431 -9.143) 67.778 55.891 ( 39.339 54.431 9.143) 67.778 66.457 ( -14.401 -18.912 -21.884) 32.310 66.457 ( 14.401 -18.912 21.884) 32.310 72.675 ( -1.885 3.746 -11.182) 11.942 72.675 ( 1.885 3.746 11.182) 11.942 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 10.828 -0.000 -9.682) 14.525 1.962 ( 13.625 -0.000 3.926) 14.179 2.170 ( 11.594 -0.000 12.612) 17.131 2.385 ( 4.833 -0.000 -2.638) 5.506 3.046 ( 1.640 -0.000 -2.916) 3.346 3.058 ( -6.137 0.000 0.800) 6.189 3.372 ( -0.953 0.000 -4.230) 4.336 3.545 ( -4.071 0.000 4.858) 6.338 3.845 ( 5.862 -0.000 4.780) 7.564 4.073 ( -2.433 0.000 -7.200) 7.600 4.245 ( -1.199 0.000 2.886) 3.126 4.274 ( 9.361 -0.000 -3.346) 9.941 4.623 ( -1.063 0.000 2.165) 2.412 4.715 ( -0.052 0.000 -1.411) 1.412 5.058 ( 2.160 -0.000 -3.687) 4.273 5.098 ( 17.228 -0.000 2.864) 17.465 5.376 ( 1.968 -0.000 2.934) 3.533 5.593 ( 4.951 -0.000 -6.764) 8.382 5.890 ( 8.102 -0.000 1.069) 8.172 6.024 ( 8.861 -0.000 1.806) 9.043 6.253 ( -6.031 0.000 3.757) 7.105 6.340 ( 4.268 -0.000 -0.049) 4.268 6.656 ( 25.197 -0.000 0.675) 25.206 6.953 ( 20.502 -0.000 -0.393) 20.505 7.315 ( -6.065 0.000 3.754) 7.133 7.672 ( 6.250 -0.000 -0.970) 6.325 7.828 ( 5.275 -0.000 -11.064) 12.257 8.157 ( 10.401 -0.000 7.466) 12.804 9.824 ( -29.421 0.000 0.079) 29.421 10.203 ( -24.752 0.000 0.453) 24.757 10.694 ( -20.207 0.000 -1.288) 20.248 10.757 ( -15.984 0.000 -0.145) 15.985 14.092 ( 22.412 -0.000 14.030) 26.441 14.546 ( 19.639 -0.000 -17.540) 26.332 14.818 ( 27.754 -0.000 -6.141) 28.425 15.108 ( 20.785 -0.000 10.772) 23.410 27.004 ( 1.315 -0.000 0.165) 1.325 27.014 ( 0.257 -0.000 -0.232) 0.346 27.078 ( 1.708 -0.000 -0.862) 1.913 27.079 ( -0.281 0.000 1.239) 1.270 27.537 ( -3.505 0.000 -1.361) 3.760 27.561 ( -3.424 0.000 1.303) 3.663 33.526 ( 2.351 -0.000 3.408) 4.140 33.633 ( 2.023 -0.000 -4.504) 4.937 34.509 ( -0.853 0.000 9.020) 9.060 34.741 ( -0.580 0.000 -7.684) 7.706 35.826 ( 2.446 -0.000 2.702) 3.645 35.910 ( 1.708 -0.000 -2.049) 2.668 36.880 ( -1.365 0.000 2.964) 3.263 36.930 ( -0.853 0.000 -3.094) 3.209 42.876 ( 12.840 -0.000 2.180) 13.024 42.952 ( 17.439 -0.000 -2.975) 17.691 43.301 ( 10.713 -0.000 3.920) 11.408 43.499 ( 17.092 -0.000 -2.738) 17.310 45.289 ( -9.273 0.000 -0.586) 9.291 45.657 ( -11.250 0.000 3.267) 11.715 45.874 ( -19.150 0.000 -4.141) 19.592 46.221 ( -18.122 0.000 1.624) 18.195 55.735 ( 52.663 -0.000 -0.524) 52.666 56.185 ( 62.496 -0.000 -0.038) 62.496 59.731 ( 54.699 -0.000 -63.180) 83.568 60.857 ( 66.740 -0.000 93.196) 114.629 65.789 ( -22.460 0.000 -9.251) 24.291 65.820 ( -38.570 0.000 -0.297) 38.571 71.181 ( -10.209 0.000 15.474) 18.538 71.676 ( -6.023 0.000 -20.509) 21.375 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 10.915 1.885 -6.325) 12.755 2.112 ( 11.440 1.192 6.386) 13.156 2.349 ( 9.139 -3.723 11.317) 15.016 2.454 ( 3.999 -2.806 -6.171) 7.870 2.940 ( -8.339 2.741 -3.349) 9.395 3.028 ( -5.964 -1.873 -0.097) 6.251 3.343 ( 1.331 1.900 -2.932) 3.738 3.571 ( -4.634 -7.165 3.462) 9.208 3.886 ( 4.363 3.504 3.834) 6.784 4.038 ( -1.224 0.146 -4.635) 4.796 4.235 ( 1.141 2.388 -0.289) 2.662 4.281 ( 5.763 6.368 -0.327) 8.595 4.607 ( -0.768 0.747 1.359) 1.731 4.726 ( -1.557 -2.080 -0.922) 2.757 4.957 ( 4.143 9.067 -2.560) 10.292 5.224 ( -3.068 4.586 1.928) 5.845 5.488 ( 9.874 -8.499 -0.789) 13.052 5.707 ( 6.531 -2.336 -2.600) 7.407 5.846 ( 6.622 8.083 1.077) 10.505 6.136 ( -0.093 0.251 1.776) 1.796 6.216 ( -1.671 -0.204 1.969) 2.590 6.470 ( 6.590 -7.836 0.339) 10.245 6.756 ( 25.608 17.864 0.590) 31.228 7.263 ( -3.840 -0.890 2.162) 4.496 7.498 ( 24.860 -19.434 -0.756) 31.563 7.683 ( -2.765 -0.343 3.058) 4.137 7.932 ( 13.366 -0.748 -13.296) 18.867 8.274 ( 9.139 2.743 7.879) 12.374 9.310 ( -27.749 15.425 0.497) 31.752 10.043 ( -26.988 -15.085 0.012) 30.918 10.333 ( -12.921 9.809 -0.154) 16.223 10.737 ( -14.647 -12.795 -0.997) 19.475 14.102 ( 24.319 24.794 4.919) 35.077 14.863 ( 6.329 -11.685 -6.226) 14.675 14.992 ( 24.383 12.630 -3.400) 27.670 15.398 ( 12.809 -4.943 5.391) 14.750 27.011 ( 0.824 0.391 -0.037) 0.913 27.030 ( 0.946 -0.665 -0.275) 1.189 27.066 ( 0.272 0.923 0.661) 1.167 27.112 ( 1.059 -1.393 -0.132) 1.755 27.482 ( -2.903 1.103 -0.623) 3.167 27.536 ( -3.367 -1.310 0.580) 3.660 33.556 ( 2.111 0.343 3.212) 3.859 33.640 ( 1.276 0.842 -4.242) 4.509 34.521 ( 0.165 -0.349 8.225) 8.234 34.717 ( -1.543 -0.164 -7.106) 7.273 35.843 ( 2.484 1.686 1.782) 3.491 35.940 ( 0.837 -1.445 -1.353) 2.149 36.869 ( -0.787 0.003 2.206) 2.342 36.929 ( -1.095 -1.641 -2.271) 3.008 42.947 ( 13.154 8.814 0.710) 15.850 43.155 ( 18.522 3.571 -1.820) 18.950 43.374 ( 8.110 3.211 2.428) 9.054 43.823 ( 13.976 -11.775 -0.978) 18.302 45.158 ( -7.011 2.322 -0.239) 7.389 45.504 ( -18.341 0.599 3.453) 18.673 45.649 ( -10.132 -0.116 -4.795) 11.210 46.059 ( -18.376 -6.573 1.632) 19.585 55.983 ( 57.988 35.940 -0.054) 68.222 57.271 ( 53.484 -28.162 1.026) 60.454 59.600 ( 47.443 61.973 -27.815) 82.856 61.524 ( 8.943 11.492 43.853) 46.207 65.158 ( -17.034 11.629 -1.600) 20.688 65.865 ( -31.770 -25.891 -1.183) 41.001 71.246 ( -4.214 -16.236 16.227) 23.338 71.690 ( -5.492 -14.572 -20.342) 25.618 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 9.436 4.100 -2.596) 10.611 2.228 ( 10.120 1.865 6.540) 12.193 2.477 ( 1.263 -0.549 3.949) 4.182 2.563 ( 6.854 -4.516 -2.498) 8.580 2.779 ( -9.206 2.858 -4.531) 10.651 2.984 ( -8.012 -3.407 -0.079) 8.706 3.360 ( 3.586 -0.970 -1.651) 4.065 3.623 ( -7.033 -6.843 2.299) 10.079 3.862 ( 3.258 4.799 1.914) 6.108 4.014 ( -2.240 0.714 -0.114) 2.354 4.183 ( 7.687 8.619 -4.277) 12.316 4.277 ( 0.483 -0.073 2.256) 2.308 4.596 ( 1.830 1.471 1.137) 2.609 4.727 ( -2.838 -1.482 -0.585) 3.254 4.880 ( 4.686 6.854 -2.287) 8.612 5.102 ( -3.299 4.997 1.048) 6.079 5.648 ( 10.117 4.225 -2.294) 11.201 5.800 ( 7.384 -1.894 -1.029) 7.692 5.887 ( 2.392 -4.316 2.116) 5.369 6.109 ( 0.058 2.045 1.226) 2.385 6.171 ( -1.972 3.237 1.448) 4.058 6.583 ( -2.490 -0.680 -0.564) 2.642 6.794 ( 22.612 14.344 1.496) 26.819 7.269 ( 1.617 -1.294 -1.111) 2.350 7.593 ( -7.059 2.167 3.812) 8.310 7.841 ( 2.937 2.896 -6.901) 8.040 8.160 ( 7.600 -0.957 3.563) 8.448 8.234 ( -0.731 8.190 -1.519) 8.361 8.921 ( -1.041 -0.890 0.894) 1.635 9.977 ( -26.088 -16.599 -0.245) 30.922 10.210 ( 3.594 -3.669 0.817) 5.200 10.782 ( -13.080 -13.899 -1.103) 19.118 14.021 ( 27.746 24.752 1.641) 37.218 14.934 ( -7.176 1.668 -0.557) 7.388 15.049 ( 20.708 13.522 -3.156) 24.933 15.524 ( 2.242 1.721 2.445) 3.737 27.015 ( 0.705 0.200 -0.024) 0.734 27.043 ( -0.145 -0.019 -0.221) 0.266 27.065 ( 1.465 0.463 0.352) 1.577 27.137 ( -0.234 -0.838 0.019) 0.871 27.446 ( -0.894 0.029 -0.323) 0.951 27.521 ( -3.091 -1.699 0.290) 3.539 33.573 ( 1.459 0.941 3.422) 3.837 33.624 ( 0.505 1.638 -4.105) 4.449 34.549 ( 1.243 -0.666 6.728) 6.874 34.689 ( -2.147 -0.405 -6.040) 6.423 35.848 ( 2.717 1.735 0.982) 3.370 35.955 ( -0.953 -0.569 -0.735) 1.332 36.876 ( 0.348 -0.974 1.541) 1.856 36.941 ( -1.414 -2.059 -1.568) 2.949 42.942 ( 12.679 10.989 0.176) 16.779 43.265 ( 19.305 10.815 -0.185) 22.128 43.378 ( -0.915 3.122 0.312) 3.268 44.041 ( -2.433 -2.515 0.062) 3.499 45.111 ( 1.084 -2.250 0.081) 2.499 45.350 ( -5.461 -5.067 0.171) 7.452 45.595 ( -7.513 -4.787 -1.743) 9.077 45.985 ( -16.786 -10.250 1.313) 19.712 56.105 ( 62.552 39.016 -0.358) 73.724 58.051 ( 19.376 -7.312 4.424) 21.177 59.052 ( 42.631 69.123 -13.714) 82.362 60.850 ( -29.987 52.311 12.310) 61.541 65.005 ( -0.562 -2.522 2.274) 3.442 65.856 ( -32.457 -22.157 2.290) 39.365 71.610 ( 2.595 -25.887 12.086) 28.687 71.918 ( -4.447 -23.512 -14.211) 27.831 ======================= Grid point 345 (167/172) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.215 5.678 -0.699) 10.011 2.272 ( 2.347 5.400 4.347) 7.319 2.465 ( 2.220 2.208 0.904) 3.259 2.601 ( -2.023 6.976 -1.171) 7.357 2.738 ( 2.153 -7.044 -2.996) 7.952 2.932 ( -10.077 -3.447 -0.383) 10.657 3.453 ( 6.474 -3.013 -1.870) 7.381 3.618 ( -7.652 -3.435 2.687) 8.807 3.848 ( 3.538 1.968 1.656) 4.374 3.952 ( -4.430 1.357 -0.898) 4.719 4.165 ( 8.939 5.794 -0.776) 10.681 4.277 ( -1.670 0.059 0.075) 1.673 4.612 ( 4.475 1.492 1.242) 4.878 4.704 ( -3.381 -0.505 -0.815) 3.515 4.840 ( 5.971 6.196 -1.366) 8.712 4.986 ( -4.858 4.484 0.475) 6.628 5.697 ( 14.442 5.827 -1.571) 15.652 5.891 ( -0.033 -2.672 1.629) 3.130 5.973 ( 1.750 -0.870 -1.111) 2.248 6.060 ( 0.902 7.589 0.644) 7.669 6.117 ( 0.975 -0.379 1.978) 2.237 6.422 ( -17.008 5.004 -1.301) 17.777 6.838 ( 23.635 15.028 1.783) 28.065 7.296 ( 1.753 4.497 -5.273) 7.149 7.424 ( -10.243 7.326 2.888) 12.920 7.566 ( -19.156 8.715 1.584) 21.105 8.035 ( 2.801 7.659 -3.767) 8.983 8.111 ( -3.284 9.098 2.823) 10.076 9.327 ( 24.906 -19.420 -0.401) 31.585 9.949 ( -25.538 -18.616 0.063) 31.604 10.498 ( 15.833 -14.375 1.658) 21.449 10.857 ( -12.641 -15.156 -1.472) 19.790 13.993 ( 30.936 23.350 0.236) 38.760 14.641 ( -21.917 12.984 0.319) 25.476 15.055 ( 19.368 15.257 -1.759) 24.718 15.399 ( -8.903 9.397 1.419) 13.022 27.021 ( 0.624 0.161 -0.073) 0.649 27.035 ( -0.577 0.179 0.113) 0.614 27.079 ( 1.920 0.497 -0.094) 1.985 27.127 ( -1.832 0.384 0.107) 1.875 27.464 ( 1.503 -1.707 -0.190) 2.282 27.517 ( -2.719 -2.149 0.173) 3.470 33.571 ( 0.639 1.612 3.713) 4.098 33.591 ( 0.016 2.108 -3.966) 4.492 34.591 ( 2.136 -0.834 4.637) 5.173 34.662 ( -2.455 -0.660 -4.395) 5.077 35.858 ( 3.125 1.463 0.518) 3.489 35.932 ( -2.674 0.599 -0.408) 2.770 36.910 ( 1.361 -1.571 1.144) 2.373 36.952 ( -1.691 -1.859 -1.165) 2.770 42.912 ( 12.090 11.367 -0.088) 16.595 43.161 ( -5.379 11.892 0.694) 13.071 43.377 ( 15.938 7.945 -0.755) 17.824 43.836 ( -18.352 8.702 0.322) 20.313 45.251 ( 8.911 -6.443 -0.037) 10.996 45.480 ( -6.695 -9.798 0.428) 11.875 45.665 ( 8.427 -10.227 -1.633) 13.351 45.983 ( -14.812 -12.989 1.084) 19.730 56.265 ( 69.526 39.867 -0.962) 80.151 57.808 ( -44.546 20.903 4.397) 49.403 58.432 ( 45.078 72.268 -4.803) 85.310 59.464 ( -38.205 67.880 1.362) 77.905 65.229 ( 16.835 -14.151 -0.679) 22.002 65.822 ( -30.778 -21.393 2.644) 37.576 72.085 ( 5.563 -23.979 7.954) 25.869 72.231 ( -4.164 -23.172 -8.246) 24.946 ======================= Grid point 346 (168/172) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -2.805 7.042 -1.464) 7.720 2.139 ( 2.805 7.042 1.464) 7.720 2.451 ( -0.864 7.309 -0.469) 7.375 2.451 ( 0.864 7.309 0.469) 7.375 2.870 ( -0.914 -2.666 -5.620) 6.287 2.870 ( 0.914 -2.666 5.620) 6.287 3.573 ( 5.012 -1.293 -1.889) 5.510 3.573 ( -5.012 -1.293 1.889) 5.510 3.890 ( -3.842 -1.010 -3.372) 5.211 3.890 ( 3.842 -1.010 3.372) 5.211 4.203 ( -7.008 3.066 -4.297) 8.774 4.203 ( 7.008 3.066 4.297) 8.774 4.652 ( -4.338 1.362 -2.350) 5.118 4.652 ( 4.338 1.362 2.350) 5.118 4.820 ( -3.235 6.129 -3.668) 7.841 4.820 ( 3.235 6.129 3.668) 7.841 5.807 ( -13.803 3.550 0.426) 14.259 5.807 ( 13.803 3.550 -0.426) 14.259 5.946 ( 2.189 6.105 -2.590) 6.983 5.946 ( -2.189 6.105 2.590) 6.983 6.163 ( -2.430 2.536 -8.408) 9.112 6.163 ( 2.430 2.536 8.408) 9.112 6.891 ( -21.709 13.918 -2.119) 25.875 6.891 ( 21.709 13.918 2.119) 25.875 7.366 ( 2.539 2.997 -6.495) 7.590 7.366 ( -2.539 2.997 6.495) 7.590 7.968 ( 3.098 4.817 -5.928) 8.243 7.968 ( -3.098 4.817 5.928) 8.243 9.947 ( -24.564 -19.371 -0.347) 31.285 9.947 ( 24.564 -19.371 0.347) 31.285 10.945 ( -10.626 -16.273 -5.688) 20.250 10.945 ( 10.626 -16.273 5.688) 20.250 14.021 ( -33.273 22.238 0.508) 40.023 14.021 ( 33.273 22.238 -0.508) 40.023 15.029 ( -10.547 16.114 -4.127) 19.696 15.029 ( 10.547 16.114 4.127) 19.696 27.025 ( 0.261 0.169 -0.107) 0.329 27.025 ( -0.261 0.169 0.107) 0.329 27.092 ( -1.662 0.811 -0.077) 1.851 27.092 ( 1.662 0.811 0.077) 1.851 27.524 ( -1.246 -2.572 -0.823) 2.974 27.524 ( 1.246 -2.572 0.823) 2.974 33.550 ( 0.397 2.084 -5.349) 5.754 33.550 ( -0.397 2.084 5.349) 5.754 34.638 ( -0.154 -0.764 -7.543) 7.583 34.638 ( 0.154 -0.764 7.543) 7.583 35.877 ( -1.217 1.238 -2.676) 3.190 35.877 ( 1.217 1.238 2.676) 3.190 36.955 ( -0.175 -1.322 -3.933) 4.153 36.955 ( 0.175 -1.322 3.933) 4.153 42.871 ( -8.291 11.157 -1.203) 13.952 42.871 ( 8.291 11.157 1.203) 13.952 43.445 ( -15.095 10.064 -2.272) 18.284 43.445 ( 15.095 10.064 2.272) 18.284 45.476 ( -8.547 -5.960 -1.095) 10.478 45.476 ( 8.547 -5.960 1.095) 10.478 46.034 ( -12.113 -14.524 -0.170) 18.913 46.034 ( 12.113 -14.524 0.170) 18.913 56.522 ( -71.935 39.680 -2.166) 82.181 56.522 ( 71.935 39.680 2.166) 82.181 57.848 ( -46.168 69.912 -0.469) 83.781 57.848 ( 46.168 69.912 0.469) 83.781 65.806 ( -10.467 -21.146 -16.156) 28.596 65.806 ( 10.467 -21.146 16.156) 28.596 72.483 ( -0.488 -15.937 -16.277) 22.785 72.483 ( 0.488 -15.937 16.277) 22.785 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 10.498 -0.000 -3.750) 11.147 2.261 ( 9.122 -0.000 8.787) 12.666 2.423 ( 5.690 -0.000 9.594) 11.155 2.457 ( 2.586 -0.000 -9.266) 9.620 2.874 ( -6.882 0.000 -3.033) 7.520 2.909 ( -8.434 0.000 -0.647) 8.459 3.380 ( 1.457 -0.000 -6.538) 6.698 3.459 ( -4.237 0.000 6.386) 7.664 3.969 ( 2.991 -0.000 4.157) 5.121 4.018 ( -0.459 0.000 -5.516) 5.535 4.239 ( 0.429 -0.000 5.043) 5.061 4.376 ( 0.213 -0.000 -4.858) 4.863 4.602 ( -0.470 0.000 1.695) 1.758 4.683 ( -2.038 0.000 -1.370) 2.456 5.059 ( 0.475 -0.000 -5.166) 5.188 5.215 ( -5.793 0.000 6.028) 8.360 5.527 ( 10.247 -0.000 -1.904) 10.422 5.766 ( 5.708 -0.000 0.049) 5.708 6.003 ( 5.196 -0.000 -0.365) 5.208 6.166 ( 0.187 -0.000 -0.829) 0.850 6.177 ( 0.789 -0.000 0.688) 1.047 6.456 ( 2.934 -0.000 3.792) 4.795 7.236 ( 2.175 -0.000 -0.732) 2.295 7.395 ( 30.815 -0.000 1.877) 30.872 7.542 ( 23.401 -0.000 -1.038) 23.424 7.630 ( -4.327 0.000 3.195) 5.379 8.066 ( 12.365 -0.000 -13.546) 18.341 8.420 ( 7.615 -0.000 8.932) 11.738 9.140 ( -25.570 0.000 1.667) 25.625 9.544 ( -28.447 0.000 -0.843) 28.460 10.309 ( -10.808 0.000 0.331) 10.813 10.415 ( -12.066 0.000 -1.462) 12.154 14.569 ( 13.788 -0.000 11.412) 17.898 14.810 ( 6.977 -0.000 -12.482) 14.299 15.346 ( 16.992 -0.000 -6.692) 18.263 15.492 ( 8.779 -0.000 8.190) 12.006 27.024 ( 0.582 -0.000 -0.222) 0.623 27.036 ( 0.933 -0.000 -0.232) 0.961 27.081 ( 0.496 -0.000 1.419) 1.503 27.111 ( 1.034 -0.000 -0.809) 1.313 27.459 ( -2.301 0.000 -1.156) 2.575 27.485 ( -3.034 0.000 1.125) 3.236 33.589 ( 1.991 -0.000 2.844) 3.472 33.652 ( 0.495 -0.000 -3.650) 3.683 34.538 ( 1.026 -0.000 8.114) 8.178 34.682 ( -2.179 0.000 -7.248) 7.568 35.889 ( 1.923 -0.000 2.527) 3.176 35.934 ( 0.691 -0.000 -2.255) 2.359 36.865 ( -0.576 0.000 2.823) 2.882 36.898 ( -0.943 0.000 -2.865) 3.016 43.188 ( 12.062 -0.000 0.697) 12.082 43.341 ( 11.991 -0.000 -1.970) 12.152 43.578 ( 12.947 -0.000 3.294) 13.360 43.871 ( 12.046 -0.000 -1.726) 12.169 45.094 ( -5.809 0.000 -0.670) 5.848 45.291 ( -17.167 0.000 3.020) 17.430 45.526 ( -8.297 0.000 -5.187) 9.785 45.778 ( -18.170 0.000 2.830) 18.389 57.022 ( 51.122 -0.000 3.420) 51.237 57.586 ( 46.958 -0.000 -3.718) 47.105 60.448 ( 25.661 -0.000 -39.199) 46.852 61.789 ( -8.513 0.000 54.611) 55.271 65.078 ( -18.320 0.000 7.846) 19.930 65.288 ( -15.267 0.000 -13.541) 20.407 71.103 ( -1.575 0.000 25.226) 25.275 71.454 ( -6.126 0.000 -27.598) 28.270 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 8.875 2.496 -0.017) 9.219 2.369 ( 7.689 0.390 8.472) 11.447 2.457 ( -1.912 -0.441 -6.391) 6.685 2.512 ( -0.437 -4.800 1.299) 4.991 2.767 ( -1.980 3.385 -1.800) 4.315 2.848 ( -6.654 -1.946 -0.802) 6.979 3.385 ( 2.611 -0.511 -2.958) 3.979 3.462 ( -4.697 -4.255 2.891) 6.966 3.966 ( 2.142 3.345 0.594) 4.016 4.007 ( -1.167 0.894 -0.588) 1.583 4.263 ( 1.855 0.195 4.070) 4.477 4.325 ( -1.174 3.061 -4.407) 5.492 4.612 ( 1.079 -0.603 1.215) 1.734 4.666 ( -2.760 -1.340 -1.061) 3.246 5.028 ( 3.684 4.407 -5.065) 7.658 5.123 ( -5.403 3.298 5.370) 8.301 5.680 ( 7.242 -4.838 -4.193) 9.666 5.810 ( -3.824 -3.335 4.914) 7.064 6.034 ( 11.010 5.626 -0.932) 12.399 6.149 ( 0.261 1.531 -0.094) 1.556 6.197 ( 4.224 1.725 -2.370) 5.142 6.460 ( -9.347 -1.323 3.858) 10.198 7.307 ( 8.403 -0.625 -3.246) 9.030 7.462 ( 28.432 21.389 1.135) 35.597 7.526 ( -9.051 0.732 4.093) 9.960 7.906 ( 0.633 3.272 -4.115) 5.295 8.220 ( 10.084 -4.416 -1.730) 11.144 8.369 ( -4.655 10.185 0.934) 11.237 8.908 ( 3.171 -2.566 3.327) 5.264 9.373 ( -27.238 -15.937 -1.115) 31.577 10.209 ( 2.732 -2.084 0.402) 3.459 10.410 ( -12.071 -11.664 -0.935) 16.812 14.596 ( 15.445 13.311 4.311) 20.841 14.858 ( -5.150 0.527 -4.741) 7.020 15.431 ( 12.641 7.680 -3.090) 15.110 15.569 ( 0.251 1.370 3.704) 3.957 27.028 ( 0.680 0.270 -0.145) 0.745 27.041 ( -0.259 0.083 -0.035) 0.274 27.091 ( 1.602 0.303 0.630) 1.748 27.122 ( -0.431 -0.492 -0.374) 0.753 27.437 ( -0.319 -0.096 -0.637) 0.718 27.465 ( -2.463 -1.085 0.618) 2.761 33.609 ( 1.455 0.685 2.970) 3.377 33.640 ( -0.255 0.876 -3.385) 3.506 34.570 ( 1.826 -0.373 7.374) 7.605 34.646 ( -2.426 -0.301 -6.941) 7.359 35.902 ( 1.886 1.109 1.533) 2.672 35.938 ( -0.657 -0.203 -1.407) 1.567 36.870 ( 0.347 -0.657 2.062) 2.192 36.895 ( -1.078 -1.338 -2.077) 2.696 43.247 ( 10.896 8.018 -0.087) 13.528 43.411 ( -1.283 2.525 0.296) 2.847 43.665 ( 18.049 9.253 0.108) 20.283 43.978 ( -3.998 -0.475 -0.043) 4.026 45.076 ( 0.728 -3.731 -0.386) 3.821 45.171 ( -7.823 -6.068 0.938) 9.944 45.473 ( -1.676 -2.815 -3.149) 4.544 45.643 ( -15.122 -6.920 2.456) 16.811 57.344 ( 50.299 25.473 2.161) 56.422 58.041 ( 1.510 -3.528 -2.709) 4.697 60.418 ( 36.174 38.602 -21.451) 57.086 61.259 ( -33.608 37.676 25.453) 56.541 64.977 ( 0.907 -2.131 8.058) 8.384 65.231 ( -18.213 -13.262 -7.305) 23.685 71.302 ( 2.941 -18.363 23.507) 29.974 71.487 ( -5.498 -17.502 -24.575) 30.667 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -2.084 4.731 -2.272) 5.647 2.333 ( 2.084 4.731 2.272) 5.647 2.522 ( -6.989 -2.914 -2.970) 8.134 2.522 ( 6.989 -2.914 2.970) 8.134 2.781 ( -3.718 -0.645 -5.548) 6.710 2.781 ( 3.718 -0.645 5.548) 6.710 3.469 ( 0.710 -3.992 -5.408) 6.759 3.469 ( -0.710 -3.992 5.408) 6.759 3.943 ( -2.368 3.345 -0.804) 4.176 3.943 ( 2.368 3.345 0.804) 4.176 4.271 ( 1.293 1.713 -2.576) 3.353 4.271 ( -1.294 1.713 2.576) 3.353 4.651 ( -2.350 -0.994 -1.421) 2.921 4.651 ( 2.350 -0.994 1.421) 2.921 5.004 ( 4.339 4.910 -3.343) 7.356 5.004 ( -4.339 4.910 3.343) 7.356 5.815 ( 4.634 -3.420 -4.763) 7.474 5.815 ( -4.634 -3.420 4.763) 7.474 6.077 ( -6.110 3.385 0.823) 7.033 6.077 ( 6.110 3.385 -0.823) 7.033 6.275 ( -6.406 3.383 -4.866) 8.727 6.275 ( 6.406 3.383 4.866) 8.727 7.394 ( -1.457 5.609 -4.527) 7.354 7.394 ( 1.457 5.609 4.527) 7.354 7.484 ( -22.880 15.005 -0.966) 27.378 7.484 ( 22.880 15.005 0.966) 27.378 8.211 ( 0.446 8.431 -9.536) 12.736 8.211 ( -0.446 8.431 9.536) 12.736 9.329 ( -25.774 -18.560 -0.238) 31.762 9.329 ( 25.774 -18.560 0.238) 31.762 10.455 ( -12.002 -13.329 -2.165) 18.067 10.455 ( 12.002 -13.329 2.165) 18.067 14.596 ( -13.121 13.252 -6.777) 19.842 14.596 ( 13.121 13.252 6.777) 19.842 15.432 ( -2.127 8.914 -5.684) 10.783 15.432 ( 2.127 8.914 5.684) 10.783 27.032 ( -0.626 0.254 0.070) 0.679 27.032 ( 0.626 0.254 -0.070) 0.679 27.109 ( -1.615 0.194 -0.227) 1.643 27.109 ( 1.615 0.194 0.227) 1.643 27.459 ( -0.465 -1.419 -0.832) 1.710 27.459 ( 0.465 -1.419 0.832) 1.710 33.610 ( -0.565 1.486 -3.774) 4.095 33.610 ( 0.565 1.486 3.774) 4.095 34.614 ( -1.766 -0.630 -7.398) 7.631 34.614 ( 1.766 -0.630 7.398) 7.631 35.912 ( -1.020 0.884 -2.491) 2.833 35.912 ( 1.020 0.884 2.491) 2.833 36.902 ( -0.450 -1.672 -3.207) 3.645 36.902 ( 0.450 -1.672 3.207) 3.645 43.227 ( -9.375 10.051 -0.156) 13.746 43.227 ( 9.375 10.051 0.156) 13.746 43.749 ( -17.720 8.553 -0.227) 19.677 43.749 ( 17.720 8.553 0.227) 19.677 45.236 ( -4.314 -8.865 -2.204) 10.102 45.236 ( 4.314 -8.865 2.204) 10.102 45.622 ( -6.048 -9.839 -1.819) 11.692 45.622 ( 6.048 -9.839 1.819) 11.692 57.551 ( -50.940 24.156 -0.339) 56.378 57.551 ( 50.940 24.156 0.339) 56.378 60.054 ( -18.580 61.349 -6.998) 64.481 60.054 ( 18.580 61.349 6.998) 64.481 65.218 ( -16.144 -13.992 -3.329) 21.621 65.218 ( 16.144 -13.992 3.329) 21.621 71.755 ( -1.994 -26.259 -23.616) 35.373 71.755 ( 1.994 -26.259 23.616) 35.373 ======================= Grid point 367 (172/172) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -5.087 0.000 -6.282) 8.083 2.405 ( 5.087 -0.000 6.282) 8.083 2.446 ( -3.725 0.000 -6.071) 7.122 2.446 ( 3.725 -0.000 6.071) 7.122 2.786 ( 1.283 -0.000 -5.451) 5.600 2.786 ( -1.283 0.000 5.451) 5.600 3.397 ( 2.280 -0.000 -6.635) 7.016 3.397 ( -2.280 0.000 6.635) 7.016 4.007 ( 0.265 -0.000 -4.042) 4.051 4.007 ( -0.265 0.000 4.042) 4.051 4.308 ( -3.141 0.000 -6.504) 7.223 4.308 ( 3.141 -0.000 6.504) 7.223 4.625 ( -1.962 0.000 -1.238) 2.320 4.625 ( 1.962 -0.000 1.238) 2.320 5.098 ( 4.480 -0.000 -6.545) 7.932 5.098 ( -4.480 0.000 6.545) 7.932 5.723 ( 6.989 -0.000 -5.415) 8.841 5.723 ( -6.989 0.000 5.415) 8.841 6.134 ( -3.344 0.000 0.090) 3.345 6.134 ( 3.344 -0.000 -0.090) 3.345 6.338 ( 11.982 -0.000 -6.568) 13.664 6.338 ( -11.982 0.000 6.568) 13.664 7.417 ( 10.616 -0.000 -4.019) 11.351 7.417 ( -10.616 0.000 4.019) 11.351 7.928 ( -4.898 0.000 -4.903) 6.930 7.928 ( 4.898 -0.000 4.903) 6.930 8.314 ( -16.198 0.000 5.049) 16.966 8.314 ( 16.198 -0.000 -5.049) 16.966 8.968 ( -13.965 0.000 -6.172) 15.268 8.968 ( 13.965 -0.000 6.172) 15.268 10.215 ( -2.944 0.000 -0.929) 3.087 10.215 ( 2.944 -0.000 0.929) 3.087 14.813 ( -3.628 0.000 -10.954) 11.540 14.813 ( 3.628 -0.000 10.954) 11.540 15.576 ( 3.846 -0.000 -6.695) 7.722 15.576 ( -3.846 0.000 6.695) 7.722 27.037 ( 0.510 -0.000 -0.178) 0.541 27.037 ( -0.510 0.000 0.178) 0.541 27.110 ( -0.953 0.000 -0.857) 1.281 27.110 ( 0.953 -0.000 0.857) 1.281 27.437 ( 0.910 -0.000 -1.060) 1.397 27.437 ( -0.910 0.000 1.060) 1.397 33.635 ( -1.002 0.000 -2.950) 3.116 33.635 ( 1.002 -0.000 2.950) 3.116 34.603 ( -2.285 0.000 -7.392) 7.737 34.603 ( 2.285 -0.000 7.392) 7.737 35.927 ( -0.621 0.000 -2.447) 2.525 35.927 ( 0.621 -0.000 2.447) 2.525 36.872 ( -0.419 0.000 -2.733) 2.765 36.872 ( 0.419 -0.000 2.733) 2.765 43.407 ( -4.841 0.000 0.589) 4.877 43.407 ( 4.841 -0.000 -0.589) 4.877 43.912 ( -9.553 0.000 -0.236) 9.556 43.912 ( 9.553 -0.000 0.236) 9.556 45.046 ( -2.835 0.000 0.530) 2.884 45.046 ( 2.835 -0.000 -0.530) 2.884 45.466 ( 6.197 -0.000 -3.637) 7.185 45.466 ( -6.197 0.000 3.637) 7.185 57.954 ( -17.428 0.000 -7.631) 19.026 57.954 ( 17.428 -0.000 7.631) 19.026 61.140 ( 42.076 -0.000 -28.268) 50.690 61.140 ( -42.076 0.000 28.268) 50.690 65.001 ( -4.564 0.000 -15.959) 16.599 65.001 ( 4.564 -0.000 15.959) 16.599 71.232 ( -4.345 0.000 -30.061) 30.374 71.232 ( 4.345 -0.000 30.061) 30.374 =================== 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 3/39600 10.0 138.593 127.664 167.349 0.000 -12.606 -0.000 3/39600 20.0 42.973 34.927 31.194 -0.000 -1.470 -0.000 3/39600 30.0 18.360 14.570 11.517 -0.000 -0.360 -0.000 3/39600 40.0 10.367 8.103 6.059 -0.000 -0.084 -0.000 3/39600 50.0 6.980 5.369 3.893 -0.000 -0.006 -0.000 3/39600 60.0 5.241 3.971 2.816 -0.000 0.018 -0.000 3/39600 70.0 4.225 3.156 2.194 -0.000 0.023 -0.000 3/39600 80.0 3.575 2.634 1.796 -0.000 0.023 -0.000 3/39600 90.0 3.129 2.276 1.522 -0.000 0.020 -0.000 3/39600 100.0 2.805 2.016 1.323 -0.000 0.018 -0.000 3/39600 110.0 2.560 1.819 1.172 -0.000 0.015 -0.000 3/39600 120.0 2.367 1.664 1.054 -0.000 0.012 -0.000 3/39600 130.0 2.209 1.538 0.958 -0.000 0.010 -0.000 3/39600 140.0 2.077 1.434 0.880 -0.000 0.009 -0.000 3/39600 150.0 1.965 1.345 0.814 -0.000 0.007 -0.000 3/39600 160.0 1.866 1.268 0.758 -0.000 0.006 -0.000 3/39600 170.0 1.779 1.201 0.710 -0.000 0.005 -0.000 3/39600 180.0 1.701 1.142 0.667 -0.000 0.004 -0.000 3/39600 190.0 1.630 1.088 0.630 -0.000 0.003 -0.000 3/39600 200.0 1.565 1.040 0.597 -0.000 0.003 -0.000 3/39600 210.0 1.506 0.996 0.568 -0.000 0.002 -0.000 3/39600 220.0 1.451 0.956 0.541 -0.000 0.002 -0.000 3/39600 230.0 1.400 0.919 0.517 -0.000 0.001 -0.000 3/39600 240.0 1.352 0.885 0.496 -0.000 0.001 -0.000 3/39600 250.0 1.308 0.853 0.476 -0.000 0.001 -0.000 3/39600 260.0 1.266 0.824 0.457 -0.000 0.000 -0.000 3/39600 270.0 1.227 0.796 0.440 -0.000 0.000 -0.000 3/39600 280.0 1.190 0.771 0.425 -0.000 -0.000 -0.000 3/39600 290.0 1.155 0.747 0.410 -0.000 -0.000 -0.000 3/39600 300.0 1.123 0.724 0.397 -0.000 -0.001 -0.000 3/39600 310.0 1.092 0.703 0.384 -0.000 -0.001 -0.000 3/39600 320.0 1.062 0.683 0.372 -0.000 -0.001 -0.000 3/39600 330.0 1.034 0.664 0.361 -0.000 -0.001 -0.000 3/39600 340.0 1.008 0.646 0.351 -0.000 -0.001 -0.000 3/39600 350.0 0.983 0.629 0.341 -0.000 -0.001 -0.000 3/39600 360.0 0.959 0.613 0.332 -0.000 -0.001 -0.000 3/39600 370.0 0.936 0.598 0.323 -0.000 -0.001 -0.000 3/39600 380.0 0.914 0.583 0.314 -0.000 -0.001 -0.000 3/39600 390.0 0.893 0.569 0.307 -0.000 -0.001 -0.000 3/39600 400.0 0.873 0.556 0.299 -0.000 -0.001 -0.000 3/39600 410.0 0.854 0.543 0.292 -0.000 -0.001 -0.000 3/39600 420.0 0.836 0.531 0.285 -0.000 -0.001 -0.000 3/39600 430.0 0.818 0.520 0.279 -0.000 -0.001 -0.000 3/39600 440.0 0.802 0.509 0.272 -0.000 -0.001 -0.000 3/39600 450.0 0.785 0.498 0.267 -0.000 -0.002 -0.000 3/39600 460.0 0.770 0.488 0.261 -0.000 -0.002 -0.000 3/39600 470.0 0.755 0.478 0.255 -0.000 -0.002 -0.000 3/39600 480.0 0.741 0.469 0.250 -0.000 -0.002 -0.000 3/39600 490.0 0.727 0.460 0.245 -0.000 -0.002 -0.000 3/39600 500.0 0.713 0.451 0.240 -0.000 -0.002 -0.000 3/39600 510.0 0.701 0.443 0.236 -0.000 -0.002 -0.000 3/39600 520.0 0.688 0.435 0.231 -0.000 -0.002 -0.000 3/39600 530.0 0.676 0.427 0.227 -0.000 -0.002 -0.000 3/39600 540.0 0.665 0.420 0.223 -0.000 -0.002 -0.000 3/39600 550.0 0.653 0.413 0.219 -0.000 -0.002 -0.000 3/39600 560.0 0.643 0.406 0.215 -0.000 -0.002 -0.000 3/39600 570.0 0.632 0.399 0.211 -0.000 -0.001 -0.000 3/39600 580.0 0.622 0.392 0.208 -0.000 -0.001 -0.000 3/39600 590.0 0.612 0.386 0.204 -0.000 -0.001 -0.000 3/39600 600.0 0.603 0.380 0.201 -0.000 -0.001 -0.000 3/39600 610.0 0.593 0.374 0.198 -0.000 -0.001 -0.000 3/39600 620.0 0.584 0.368 0.195 -0.000 -0.001 -0.000 3/39600 630.0 0.576 0.363 0.192 -0.000 -0.001 -0.000 3/39600 640.0 0.567 0.357 0.189 -0.000 -0.001 -0.000 3/39600 650.0 0.559 0.352 0.186 -0.000 -0.001 -0.000 3/39600 660.0 0.551 0.347 0.183 -0.000 -0.001 -0.000 3/39600 670.0 0.543 0.342 0.180 -0.000 -0.001 -0.000 3/39600 680.0 0.536 0.337 0.178 -0.000 -0.001 -0.000 3/39600 690.0 0.528 0.333 0.175 -0.000 -0.001 -0.000 3/39600 700.0 0.521 0.328 0.173 -0.000 -0.001 -0.000 3/39600 710.0 0.514 0.324 0.170 -0.000 -0.001 -0.000 3/39600 720.0 0.507 0.319 0.168 -0.000 -0.001 -0.000 3/39600 730.0 0.501 0.315 0.166 -0.000 -0.001 -0.000 3/39600 740.0 0.494 0.311 0.163 -0.000 -0.001 -0.000 3/39600 750.0 0.488 0.307 0.161 -0.000 -0.001 -0.000 3/39600 760.0 0.482 0.303 0.159 -0.000 -0.001 -0.000 3/39600 770.0 0.476 0.299 0.157 -0.000 -0.001 -0.000 3/39600 780.0 0.470 0.296 0.155 -0.000 -0.001 -0.000 3/39600 790.0 0.465 0.292 0.153 -0.000 -0.001 -0.000 3/39600 800.0 0.459 0.289 0.151 -0.000 -0.001 -0.000 3/39600 810.0 0.454 0.285 0.150 -0.000 -0.001 -0.000 3/39600 820.0 0.448 0.282 0.148 -0.000 -0.001 -0.000 3/39600 830.0 0.443 0.278 0.146 -0.000 -0.001 -0.000 3/39600 840.0 0.438 0.275 0.144 -0.000 -0.001 -0.000 3/39600 850.0 0.433 0.272 0.143 -0.000 -0.001 -0.000 3/39600 860.0 0.428 0.269 0.141 -0.000 -0.001 -0.000 3/39600 870.0 0.424 0.266 0.139 -0.000 -0.001 -0.000 3/39600 880.0 0.419 0.263 0.138 -0.000 -0.001 -0.000 3/39600 890.0 0.414 0.260 0.136 -0.000 -0.001 -0.000 3/39600 900.0 0.410 0.258 0.135 -0.000 -0.001 -0.000 3/39600 910.0 0.406 0.255 0.133 -0.000 -0.001 -0.000 3/39600 920.0 0.401 0.252 0.132 -0.000 -0.001 -0.000 3/39600 930.0 0.397 0.249 0.130 -0.000 -0.001 -0.000 3/39600 940.0 0.393 0.247 0.129 -0.000 -0.001 -0.000 3/39600 950.0 0.389 0.244 0.128 -0.000 -0.001 -0.000 3/39600 960.0 0.385 0.242 0.126 -0.000 -0.001 -0.000 3/39600 970.0 0.381 0.239 0.125 -0.000 -0.001 -0.000 3/39600 980.0 0.378 0.237 0.124 -0.000 -0.001 -0.000 3/39600 990.0 0.374 0.235 0.123 -0.000 -0.001 -0.000 3/39600 1000.0 0.370 0.233 0.121 -0.000 -0.001 -0.000 3/39600 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:39:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|