----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:17:19]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2 (5) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.371031317363979 -2.232502815000000 0.000000000000000 b 5.371031317363979 2.232502815000000 0.000000000000000 c -2.061247253680244 0.000000000000000 6.066436778533181 Atomic positions (fractional): *1 Na 0.67760207384892 0.67785671950120 0.35667106617702 22.990 *2 Na 0.69540194484768 0.69860970413982 0.82248250931948 22.990 3 Na 0.30139029586018 0.30459805515232 0.17751749068052 22.990 4 Na 0.32214328049880 0.32239792615108 0.64332893382298 22.990 *5 Na 0.00603233241795 0.99396766758205 0.00000000000000 22.990 *6 Sb 0.97903523589425 0.02096476410575 0.50000000000000 121.760 *7 O 0.13568710011251 0.12983231553775 0.34464136385249 15.999 *8 O 0.14540935648897 0.14322717684731 0.79365653043211 15.999 9 O 0.85677282315269 0.85459064351103 0.20634346956789 15.999 10 O 0.87016768446225 0.86431289988749 0.65535863614751 15.999 *11 O 0.51660758241582 0.48339241758418 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.742062634727958 0.000000000000000 0.000000000000000 b 0.000000000000000 4.465005630000000 0.000000000000000 c -2.061247253680244 0.000000000000000 6.066436778533181 Atomic positions (fractional): *1 Na 0.17772939667506 0.50012732282614 0.35667106617702 22.990 > 1 *2 Na 0.19700582449375 0.50160387964607 0.82248250931948 22.990 > 2 3 Na 0.30299417550625 0.00160387964607 0.17751749068052 22.990 > 3 4 Na 0.32227060332494 0.00012732282614 0.64332893382298 22.990 > 4 *5 Na 0.00000000000000 0.99396766758205 0.00000000000000 22.990 > 5 6 Na 0.67772939667506 0.00012732282614 0.35667106617702 22.990 > 1 7 Na 0.69700582449375 0.00160387964607 0.82248250931948 22.990 > 2 8 Na 0.80299417550625 0.50160387964607 0.17751749068052 22.990 > 3 9 Na 0.82227060332494 0.50012732282614 0.64332893382298 22.990 > 4 10 Na 0.50000000000000 0.49396766758205 0.00000000000000 22.990 > 5 *11 Sb 0.00000000000000 0.02096476410575 0.50000000000000 121.760 > 6 12 Sb 0.50000000000000 0.52096476410575 0.50000000000000 121.760 > 6 *13 O 0.13275970782513 0.99707260771262 0.34464136385249 15.999 > 7 *14 O 0.14431826666814 0.99890891017917 0.79365653043211 15.999 > 8 15 O 0.35568173333186 0.49890891017917 0.20634346956789 15.999 > 9 16 O 0.36724029217487 0.49707260771262 0.65535863614751 15.999 > 10 *17 O 0.00000000000000 0.48339241758418 0.50000000000000 15.999 > 11 18 O 0.63275970782513 0.49707260771262 0.34464136385249 15.999 > 7 19 O 0.64431826666814 0.49890891017917 0.79365653043211 15.999 > 8 20 O 0.85568173333186 0.99890891017917 0.20634346956789 15.999 > 9 21 O 0.86724029217487 0.99707260771262 0.65535863614751 15.999 > 10 22 O 0.50000000000000 0.98339241758418 0.50000000000000 15.999 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.742062634727958 0.000000000000000 0.000000000000000 b 0.000000000000000 13.395016890000001 0.000000000000000 c -4.122494507360488 0.000000000000000 12.132873557066363 Atomic positions (fractional): *1 Na 0.17772939667506 0.16670910760871 0.17833553308851 22.990 > 1 2 Na 0.17772939667506 0.50004244094205 0.17833553308851 22.990 > 1 3 Na 0.17772939667506 0.83337577427538 0.17833553308851 22.990 > 1 4 Na 0.17772939667506 0.16670910760871 0.67833553308851 22.990 > 1 5 Na 0.17772939667506 0.50004244094205 0.67833553308851 22.990 > 1 6 Na 0.17772939667506 0.83337577427538 0.67833553308851 22.990 > 1 *7 Na 0.19700582449375 0.16720129321536 0.41124125465974 22.990 > 2 8 Na 0.19700582449375 0.50053462654869 0.41124125465974 22.990 > 2 9 Na 0.19700582449375 0.83386795988202 0.41124125465974 22.990 > 2 10 Na 0.19700582449375 0.16720129321536 0.91124125465974 22.990 > 2 11 Na 0.19700582449375 0.50053462654869 0.91124125465974 22.990 > 2 12 Na 0.19700582449375 0.83386795988202 0.91124125465974 22.990 > 2 13 Na 0.30299417550625 0.00053462654869 0.08875874534026 22.990 > 3 14 Na 0.30299417550625 0.33386795988202 0.08875874534026 22.990 > 3 15 Na 0.30299417550625 0.66720129321536 0.08875874534026 22.990 > 3 16 Na 0.30299417550625 0.00053462654869 0.58875874534026 22.990 > 3 17 Na 0.30299417550625 0.33386795988202 0.58875874534026 22.990 > 3 18 Na 0.30299417550625 0.66720129321536 0.58875874534026 22.990 > 3 19 Na 0.32227060332494 0.00004244094205 0.32166446691149 22.990 > 4 20 Na 0.32227060332494 0.33337577427538 0.32166446691149 22.990 > 4 21 Na 0.32227060332494 0.66670910760871 0.32166446691149 22.990 > 4 22 Na 0.32227060332494 0.00004244094205 0.82166446691149 22.990 > 4 23 Na 0.32227060332494 0.33337577427538 0.82166446691149 22.990 > 4 24 Na 0.32227060332494 0.66670910760871 0.82166446691149 22.990 > 4 *25 Na 0.00000000000000 0.33132255586068 0.00000000000000 22.990 > 5 26 Na 0.00000000000000 0.66465588919402 0.00000000000000 22.990 > 5 27 Na 0.00000000000000 0.99798922252735 0.00000000000000 22.990 > 5 28 Na 0.00000000000000 0.33132255586068 0.50000000000000 22.990 > 5 29 Na 0.00000000000000 0.66465588919402 0.50000000000000 22.990 > 5 30 Na 0.00000000000000 0.99798922252735 0.50000000000000 22.990 > 5 31 Na 0.67772939667506 0.00004244094205 0.17833553308851 22.990 > 1 32 Na 0.67772939667506 0.33337577427538 0.17833553308851 22.990 > 1 33 Na 0.67772939667506 0.66670910760871 0.17833553308851 22.990 > 1 34 Na 0.67772939667506 0.00004244094205 0.67833553308851 22.990 > 1 35 Na 0.67772939667506 0.33337577427538 0.67833553308851 22.990 > 1 36 Na 0.67772939667506 0.66670910760871 0.67833553308851 22.990 > 1 37 Na 0.69700582449375 0.00053462654869 0.41124125465974 22.990 > 2 38 Na 0.69700582449375 0.33386795988202 0.41124125465974 22.990 > 2 39 Na 0.69700582449375 0.66720129321536 0.41124125465974 22.990 > 2 40 Na 0.69700582449375 0.00053462654869 0.91124125465974 22.990 > 2 41 Na 0.69700582449375 0.33386795988202 0.91124125465974 22.990 > 2 42 Na 0.69700582449375 0.66720129321536 0.91124125465974 22.990 > 2 43 Na 0.80299417550625 0.16720129321536 0.08875874534026 22.990 > 3 44 Na 0.80299417550625 0.50053462654869 0.08875874534026 22.990 > 3 45 Na 0.80299417550625 0.83386795988202 0.08875874534026 22.990 > 3 46 Na 0.80299417550625 0.16720129321536 0.58875874534026 22.990 > 3 47 Na 0.80299417550625 0.50053462654869 0.58875874534026 22.990 > 3 48 Na 0.80299417550625 0.83386795988202 0.58875874534026 22.990 > 3 49 Na 0.82227060332494 0.16670910760871 0.32166446691149 22.990 > 4 50 Na 0.82227060332494 0.50004244094205 0.32166446691149 22.990 > 4 51 Na 0.82227060332494 0.83337577427538 0.32166446691149 22.990 > 4 52 Na 0.82227060332494 0.16670910760871 0.82166446691149 22.990 > 4 53 Na 0.82227060332494 0.50004244094205 0.82166446691149 22.990 > 4 54 Na 0.82227060332494 0.83337577427538 0.82166446691149 22.990 > 4 55 Na 0.50000000000000 0.16465588919402 0.00000000000000 22.990 > 5 56 Na 0.50000000000000 0.49798922252735 0.00000000000000 22.990 > 5 57 Na 0.50000000000000 0.83132255586068 0.00000000000000 22.990 > 5 58 Na 0.50000000000000 0.16465588919402 0.50000000000000 22.990 > 5 59 Na 0.50000000000000 0.49798922252735 0.50000000000000 22.990 > 5 60 Na 0.50000000000000 0.83132255586068 0.50000000000000 22.990 > 5 *61 Sb 0.00000000000000 0.00698825470192 0.25000000000000 121.760 > 6 62 Sb 0.00000000000000 0.34032158803525 0.25000000000000 121.760 > 6 63 Sb 0.00000000000000 0.67365492136858 0.25000000000000 121.760 > 6 64 Sb 0.00000000000000 0.00698825470192 0.75000000000000 121.760 > 6 65 Sb 0.00000000000000 0.34032158803525 0.75000000000000 121.760 > 6 66 Sb 0.00000000000000 0.67365492136858 0.75000000000000 121.760 > 6 67 Sb 0.50000000000000 0.17365492136858 0.25000000000000 121.760 > 6 68 Sb 0.50000000000000 0.50698825470192 0.25000000000000 121.760 > 6 69 Sb 0.50000000000000 0.84032158803525 0.25000000000000 121.760 > 6 70 Sb 0.50000000000000 0.17365492136858 0.75000000000000 121.760 > 6 71 Sb 0.50000000000000 0.50698825470192 0.75000000000000 121.760 > 6 72 Sb 0.50000000000000 0.84032158803525 0.75000000000000 121.760 > 6 *73 O 0.13275970782513 0.33235753590421 0.17232068192624 15.999 > 7 74 O 0.13275970782513 0.66569086923754 0.17232068192624 15.999 > 7 75 O 0.13275970782513 0.99902420257087 0.17232068192624 15.999 > 7 76 O 0.13275970782513 0.33235753590421 0.67232068192624 15.999 > 7 77 O 0.13275970782513 0.66569086923754 0.67232068192624 15.999 > 7 78 O 0.13275970782513 0.99902420257087 0.67232068192624 15.999 > 7 *79 O 0.14431826666814 0.33296963672639 0.39682826521606 15.999 > 8 80 O 0.14431826666814 0.66630297005972 0.39682826521606 15.999 > 8 81 O 0.14431826666814 0.99963630339306 0.39682826521606 15.999 > 8 82 O 0.14431826666814 0.33296963672639 0.89682826521606 15.999 > 8 83 O 0.14431826666814 0.66630297005972 0.89682826521606 15.999 > 8 84 O 0.14431826666814 0.99963630339306 0.89682826521606 15.999 > 8 85 O 0.35568173333186 0.16630297005972 0.10317173478394 15.999 > 9 86 O 0.35568173333186 0.49963630339306 0.10317173478394 15.999 > 9 87 O 0.35568173333186 0.83296963672639 0.10317173478394 15.999 > 9 88 O 0.35568173333186 0.16630297005972 0.60317173478394 15.999 > 9 89 O 0.35568173333186 0.49963630339306 0.60317173478394 15.999 > 9 90 O 0.35568173333186 0.83296963672639 0.60317173478394 15.999 > 9 91 O 0.36724029217487 0.16569086923754 0.32767931807376 15.999 > 10 92 O 0.36724029217487 0.49902420257087 0.32767931807376 15.999 > 10 93 O 0.36724029217487 0.83235753590421 0.32767931807376 15.999 > 10 94 O 0.36724029217487 0.16569086923754 0.82767931807376 15.999 > 10 95 O 0.36724029217487 0.49902420257087 0.82767931807376 15.999 > 10 96 O 0.36724029217487 0.83235753590421 0.82767931807376 15.999 > 10 *97 O 0.00000000000000 0.16113080586139 0.25000000000000 15.999 > 11 98 O 0.00000000000000 0.49446413919473 0.25000000000000 15.999 > 11 99 O 0.00000000000000 0.82779747252806 0.25000000000000 15.999 > 11 100 O 0.00000000000000 0.16113080586139 0.75000000000000 15.999 > 11 101 O 0.00000000000000 0.49446413919473 0.75000000000000 15.999 > 11 102 O 0.00000000000000 0.82779747252806 0.75000000000000 15.999 > 11 103 O 0.63275970782513 0.16569086923754 0.17232068192624 15.999 > 7 104 O 0.63275970782513 0.49902420257087 0.17232068192624 15.999 > 7 105 O 0.63275970782513 0.83235753590421 0.17232068192624 15.999 > 7 106 O 0.63275970782513 0.16569086923754 0.67232068192624 15.999 > 7 107 O 0.63275970782513 0.49902420257087 0.67232068192624 15.999 > 7 108 O 0.63275970782513 0.83235753590421 0.67232068192624 15.999 > 7 109 O 0.64431826666814 0.16630297005972 0.39682826521606 15.999 > 8 110 O 0.64431826666814 0.49963630339306 0.39682826521606 15.999 > 8 111 O 0.64431826666814 0.83296963672639 0.39682826521606 15.999 > 8 112 O 0.64431826666814 0.16630297005972 0.89682826521606 15.999 > 8 113 O 0.64431826666814 0.49963630339306 0.89682826521606 15.999 > 8 114 O 0.64431826666814 0.83296963672639 0.89682826521606 15.999 > 8 115 O 0.85568173333186 0.33296963672639 0.10317173478394 15.999 > 9 116 O 0.85568173333186 0.66630297005972 0.10317173478394 15.999 > 9 117 O 0.85568173333186 0.99963630339306 0.10317173478394 15.999 > 9 118 O 0.85568173333186 0.33296963672639 0.60317173478394 15.999 > 9 119 O 0.85568173333186 0.66630297005972 0.60317173478394 15.999 > 9 120 O 0.85568173333186 0.99963630339306 0.60317173478394 15.999 > 9 121 O 0.86724029217487 0.33235753590421 0.32767931807376 15.999 > 10 122 O 0.86724029217487 0.66569086923754 0.32767931807376 15.999 > 10 123 O 0.86724029217487 0.99902420257087 0.32767931807376 15.999 > 10 124 O 0.86724029217487 0.33235753590421 0.82767931807376 15.999 > 10 125 O 0.86724029217487 0.66569086923754 0.82767931807376 15.999 > 10 126 O 0.86724029217487 0.99902420257087 0.82767931807376 15.999 > 10 127 O 0.50000000000000 0.32779747252806 0.25000000000000 15.999 > 11 128 O 0.50000000000000 0.66113080586139 0.25000000000000 15.999 > 11 129 O 0.50000000000000 0.99446413919473 0.25000000000000 15.999 > 11 130 O 0.50000000000000 0.32779747252806 0.75000000000000 15.999 > 11 131 O 0.50000000000000 0.66113080586139 0.75000000000000 15.999 > 11 132 O 0.50000000000000 0.99446413919473 0.75000000000000 15.999 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1409850 0.0000000 -0.0090420 0.0000000 3.4700292 0.0000000 -0.0090385 0.0000000 3.2378308 -------------------------- Born effective charges -------------------------- 1 Na 1.1147895 0.0054477 0.0117789 0.0137325 0.9761476 -0.0039778 -0.0335862 -0.0003648 0.7609230 2 Na 1.0194417 0.0020492 0.0616602 0.0102823 0.9386961 0.0113574 0.0738648 0.0030198 1.1458972 3 Na 1.0194417 -0.0020492 0.0616602 -0.0102823 0.9386961 -0.0113574 0.0738648 -0.0030198 1.1458972 4 Na 1.1147895 -0.0054477 0.0117789 -0.0137325 0.9761476 0.0039778 -0.0335862 0.0003648 0.7609230 5 Na 0.8853937 0.0000000 -0.1907323 -0.0000000 0.7787971 0.0000000 -0.1322785 0.0000000 1.2578422 6 Sb 3.7143694 0.0000000 0.2435393 -0.0000000 5.4107761 0.0000000 0.1342740 0.0000000 3.5688249 7 O -2.1648321 0.0292488 0.3603379 0.0797536 -1.5479462 -0.0439613 0.3723789 -0.0128378 -1.5358654 8 O -1.6332493 0.0166392 -0.4140020 0.0341677 -1.5605640 0.0717537 -0.3828039 0.0235647 -2.2594682 9 O -1.6332493 -0.0166392 -0.4140020 -0.0341677 -1.5605640 -0.0717537 -0.3828039 -0.0235647 -2.2594682 10 O -2.1648321 -0.0292488 0.3603379 -0.0797536 -1.5479462 0.0439613 0.3723789 0.0128378 -1.5358654 11 O -1.2720626 0.0000000 -0.0923572 -0.0000000 -3.8022401 0.0000000 -0.0617026 0.0000000 -1.0496402 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8142/8142 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3348 Number of blocks in projector: 3348 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 54 --- Eigsh_solver_block: 1 / 54 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 756 / 756 (1) 247 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 54 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 168 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 54 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 168 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 7 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 54 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3348, 3298), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (400, 393), data: True |-- (400, 393), data: True |-- (400, 393), data: True |-- (672, 664), data: False |-- (672, 4), data: (672, 12) @ (12, 4) |-- (172, 168), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (672, 664), data: False |-- (672, 4), data: (672, 12) @ (12, 4) |-- (172, 168), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (756, 743), data: False |-- (756, 9), data: (756, 22) @ (22, 9) |-- (256, 247), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.068 Solver_block: 200 / 720 - Time: 1.052 Solver_block: 300 / 720 - Time: 1.073 Solver_block: 400 / 720 - Time: 1.059 Solver_block: 500 / 720 - Time: 1.072 Solver_block: 600 / 720 - Time: 1.049 Solver_block: 700 / 720 - Time: 1.067 Solver_block: 720 / 720 - Time: 0.323 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.909 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 396/396 Permutation basis: 8142/8142 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3348 Number of blocks in projector: 3348 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 54 --- Eigsh_solver_block: 1 / 54 --- Block_size: 756 Use submatrix version of eigh solver. (1) Block: 500 / 756 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 756 / 756 (1) 247 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 54 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 168 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 54 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 672 / 672 (1) 168 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 54 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 7 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 54 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 54 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3348, 3298), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (400, 393), data: True |-- (400, 393), data: True |-- (400, 393), data: True |-- (672, 664), data: False |-- (672, 4), data: (672, 12) @ (12, 4) |-- (172, 168), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (672, 664), data: False |-- (672, 4), data: (672, 12) @ (12, 4) |-- (172, 168), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (756, 743), data: False |-- (756, 9), data: (756, 22) @ (22, 9) |-- (256, 247), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), 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 2026-01-09 00:18:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:18:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2 (5) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.371031317363979 -2.232502815000000 0.000000000000000 b 5.371031317363979 2.232502815000000 0.000000000000000 c -2.061247253680244 0.000000000000000 6.066436778533181 Atomic positions (fractional): 1 Na 0.67760207384892 0.67785671950120 0.35667106617702 22.990 2 Na 0.69540194484768 0.69860970413982 0.82248250931948 22.990 3 Na 0.30139029586018 0.30459805515232 0.17751749068052 22.990 4 Na 0.32214328049880 0.32239792615108 0.64332893382298 22.990 5 Na 0.00603233241795 0.99396766758205 0.00000000000000 22.990 6 Sb 0.97903523589425 0.02096476410575 0.50000000000000 121.760 7 O 0.13568710011251 0.12983231553775 0.34464136385249 15.999 8 O 0.14540935648897 0.14322717684731 0.79365653043211 15.999 9 O 0.85677282315269 0.85459064351103 0.20634346956789 15.999 10 O 0.87016768446225 0.86431289988749 0.65535863614751 15.999 11 O 0.51660758241582 0.48339241758418 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.742062634727958 0.000000000000000 0.000000000000000 b 0.000000000000000 13.395016890000001 0.000000000000000 c -4.122494507360488 0.000000000000000 12.132873557066363 Atomic positions (fractional): 1 Na 0.17772939667506 0.16670910760871 0.17833553308851 22.990 > 1 2 Na 0.17772939667506 0.50004244094205 0.17833553308851 22.990 > 1 3 Na 0.17772939667506 0.83337577427538 0.17833553308851 22.990 > 1 4 Na 0.17772939667506 0.16670910760871 0.67833553308851 22.990 > 1 5 Na 0.17772939667506 0.50004244094205 0.67833553308851 22.990 > 1 6 Na 0.17772939667506 0.83337577427538 0.67833553308851 22.990 > 1 7 Na 0.19700582449375 0.16720129321536 0.41124125465974 22.990 > 7 8 Na 0.19700582449375 0.50053462654869 0.41124125465974 22.990 > 7 9 Na 0.19700582449375 0.83386795988202 0.41124125465974 22.990 > 7 10 Na 0.19700582449375 0.16720129321536 0.91124125465974 22.990 > 7 11 Na 0.19700582449375 0.50053462654869 0.91124125465974 22.990 > 7 12 Na 0.19700582449375 0.83386795988202 0.91124125465974 22.990 > 7 13 Na 0.30299417550625 0.00053462654869 0.08875874534026 22.990 > 13 14 Na 0.30299417550625 0.33386795988202 0.08875874534026 22.990 > 13 15 Na 0.30299417550625 0.66720129321536 0.08875874534026 22.990 > 13 16 Na 0.30299417550625 0.00053462654869 0.58875874534026 22.990 > 13 17 Na 0.30299417550625 0.33386795988202 0.58875874534026 22.990 > 13 18 Na 0.30299417550625 0.66720129321536 0.58875874534026 22.990 > 13 19 Na 0.32227060332494 0.00004244094205 0.32166446691149 22.990 > 19 20 Na 0.32227060332494 0.33337577427538 0.32166446691149 22.990 > 19 21 Na 0.32227060332494 0.66670910760871 0.32166446691149 22.990 > 19 22 Na 0.32227060332494 0.00004244094205 0.82166446691149 22.990 > 19 23 Na 0.32227060332494 0.33337577427538 0.82166446691149 22.990 > 19 24 Na 0.32227060332494 0.66670910760871 0.82166446691149 22.990 > 19 25 Na 0.00000000000000 0.33132255586068 0.00000000000000 22.990 > 25 26 Na 0.00000000000000 0.66465588919402 0.00000000000000 22.990 > 25 27 Na 0.00000000000000 0.99798922252735 0.00000000000000 22.990 > 25 28 Na 0.00000000000000 0.33132255586068 0.50000000000000 22.990 > 25 29 Na 0.00000000000000 0.66465588919402 0.50000000000000 22.990 > 25 30 Na 0.00000000000000 0.99798922252735 0.50000000000000 22.990 > 25 31 Na 0.67772939667506 0.00004244094205 0.17833553308851 22.990 > 1 32 Na 0.67772939667506 0.33337577427538 0.17833553308851 22.990 > 1 33 Na 0.67772939667506 0.66670910760871 0.17833553308851 22.990 > 1 34 Na 0.67772939667506 0.00004244094205 0.67833553308851 22.990 > 1 35 Na 0.67772939667506 0.33337577427538 0.67833553308851 22.990 > 1 36 Na 0.67772939667506 0.66670910760871 0.67833553308851 22.990 > 1 37 Na 0.69700582449375 0.00053462654869 0.41124125465974 22.990 > 7 38 Na 0.69700582449375 0.33386795988202 0.41124125465974 22.990 > 7 39 Na 0.69700582449375 0.66720129321536 0.41124125465974 22.990 > 7 40 Na 0.69700582449375 0.00053462654869 0.91124125465974 22.990 > 7 41 Na 0.69700582449375 0.33386795988202 0.91124125465974 22.990 > 7 42 Na 0.69700582449375 0.66720129321536 0.91124125465974 22.990 > 7 43 Na 0.80299417550625 0.16720129321536 0.08875874534026 22.990 > 13 44 Na 0.80299417550625 0.50053462654869 0.08875874534026 22.990 > 13 45 Na 0.80299417550625 0.83386795988202 0.08875874534026 22.990 > 13 46 Na 0.80299417550625 0.16720129321536 0.58875874534026 22.990 > 13 47 Na 0.80299417550625 0.50053462654869 0.58875874534026 22.990 > 13 48 Na 0.80299417550625 0.83386795988202 0.58875874534026 22.990 > 13 49 Na 0.82227060332494 0.16670910760871 0.32166446691149 22.990 > 19 50 Na 0.82227060332494 0.50004244094205 0.32166446691149 22.990 > 19 51 Na 0.82227060332494 0.83337577427538 0.32166446691149 22.990 > 19 52 Na 0.82227060332494 0.16670910760871 0.82166446691149 22.990 > 19 53 Na 0.82227060332494 0.50004244094205 0.82166446691149 22.990 > 19 54 Na 0.82227060332494 0.83337577427538 0.82166446691149 22.990 > 19 55 Na 0.50000000000000 0.16465588919402 0.00000000000000 22.990 > 25 56 Na 0.50000000000000 0.49798922252735 0.00000000000000 22.990 > 25 57 Na 0.50000000000000 0.83132255586068 0.00000000000000 22.990 > 25 58 Na 0.50000000000000 0.16465588919402 0.50000000000000 22.990 > 25 59 Na 0.50000000000000 0.49798922252735 0.50000000000000 22.990 > 25 60 Na 0.50000000000000 0.83132255586068 0.50000000000000 22.990 > 25 61 Sb 0.00000000000000 0.00698825470192 0.25000000000000 121.760 > 61 62 Sb 0.00000000000000 0.34032158803525 0.25000000000000 121.760 > 61 63 Sb 0.00000000000000 0.67365492136858 0.25000000000000 121.760 > 61 64 Sb 0.00000000000000 0.00698825470192 0.75000000000000 121.760 > 61 65 Sb 0.00000000000000 0.34032158803525 0.75000000000000 121.760 > 61 66 Sb 0.00000000000000 0.67365492136858 0.75000000000000 121.760 > 61 67 Sb 0.50000000000000 0.17365492136858 0.25000000000000 121.760 > 61 68 Sb 0.50000000000000 0.50698825470192 0.25000000000000 121.760 > 61 69 Sb 0.50000000000000 0.84032158803525 0.25000000000000 121.760 > 61 70 Sb 0.50000000000000 0.17365492136858 0.75000000000000 121.760 > 61 71 Sb 0.50000000000000 0.50698825470192 0.75000000000000 121.760 > 61 72 Sb 0.50000000000000 0.84032158803525 0.75000000000000 121.760 > 61 73 O 0.13275970782513 0.33235753590421 0.17232068192624 15.999 > 73 74 O 0.13275970782513 0.66569086923754 0.17232068192624 15.999 > 73 75 O 0.13275970782513 0.99902420257087 0.17232068192624 15.999 > 73 76 O 0.13275970782513 0.33235753590421 0.67232068192624 15.999 > 73 77 O 0.13275970782513 0.66569086923754 0.67232068192624 15.999 > 73 78 O 0.13275970782513 0.99902420257087 0.67232068192624 15.999 > 73 79 O 0.14431826666814 0.33296963672639 0.39682826521606 15.999 > 79 80 O 0.14431826666814 0.66630297005972 0.39682826521606 15.999 > 79 81 O 0.14431826666814 0.99963630339306 0.39682826521606 15.999 > 79 82 O 0.14431826666814 0.33296963672639 0.89682826521606 15.999 > 79 83 O 0.14431826666814 0.66630297005972 0.89682826521606 15.999 > 79 84 O 0.14431826666814 0.99963630339306 0.89682826521606 15.999 > 79 85 O 0.35568173333186 0.16630297005972 0.10317173478394 15.999 > 85 86 O 0.35568173333186 0.49963630339306 0.10317173478394 15.999 > 85 87 O 0.35568173333186 0.83296963672639 0.10317173478394 15.999 > 85 88 O 0.35568173333186 0.16630297005972 0.60317173478394 15.999 > 85 89 O 0.35568173333186 0.49963630339306 0.60317173478394 15.999 > 85 90 O 0.35568173333186 0.83296963672639 0.60317173478394 15.999 > 85 91 O 0.36724029217487 0.16569086923754 0.32767931807376 15.999 > 91 92 O 0.36724029217487 0.49902420257087 0.32767931807376 15.999 > 91 93 O 0.36724029217487 0.83235753590421 0.32767931807376 15.999 > 91 94 O 0.36724029217487 0.16569086923754 0.82767931807376 15.999 > 91 95 O 0.36724029217487 0.49902420257087 0.82767931807376 15.999 > 91 96 O 0.36724029217487 0.83235753590421 0.82767931807376 15.999 > 91 97 O 0.00000000000000 0.16113080586139 0.25000000000000 15.999 > 97 98 O 0.00000000000000 0.49446413919473 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.82779747252806 0.25000000000000 15.999 > 97 100 O 0.00000000000000 0.16113080586139 0.75000000000000 15.999 > 97 101 O 0.00000000000000 0.49446413919473 0.75000000000000 15.999 > 97 102 O 0.00000000000000 0.82779747252806 0.75000000000000 15.999 > 97 103 O 0.63275970782513 0.16569086923754 0.17232068192624 15.999 > 73 104 O 0.63275970782513 0.49902420257087 0.17232068192624 15.999 > 73 105 O 0.63275970782513 0.83235753590421 0.17232068192624 15.999 > 73 106 O 0.63275970782513 0.16569086923754 0.67232068192624 15.999 > 73 107 O 0.63275970782513 0.49902420257087 0.67232068192624 15.999 > 73 108 O 0.63275970782513 0.83235753590421 0.67232068192624 15.999 > 73 109 O 0.64431826666814 0.16630297005972 0.39682826521606 15.999 > 79 110 O 0.64431826666814 0.49963630339306 0.39682826521606 15.999 > 79 111 O 0.64431826666814 0.83296963672639 0.39682826521606 15.999 > 79 112 O 0.64431826666814 0.16630297005972 0.89682826521606 15.999 > 79 113 O 0.64431826666814 0.49963630339306 0.89682826521606 15.999 > 79 114 O 0.64431826666814 0.83296963672639 0.89682826521606 15.999 > 79 115 O 0.85568173333186 0.33296963672639 0.10317173478394 15.999 > 85 116 O 0.85568173333186 0.66630297005972 0.10317173478394 15.999 > 85 117 O 0.85568173333186 0.99963630339306 0.10317173478394 15.999 > 85 118 O 0.85568173333186 0.33296963672639 0.60317173478394 15.999 > 85 119 O 0.85568173333186 0.66630297005972 0.60317173478394 15.999 > 85 120 O 0.85568173333186 0.99963630339306 0.60317173478394 15.999 > 85 121 O 0.86724029217487 0.33235753590421 0.32767931807376 15.999 > 91 122 O 0.86724029217487 0.66569086923754 0.32767931807376 15.999 > 91 123 O 0.86724029217487 0.99902420257087 0.32767931807376 15.999 > 91 124 O 0.86724029217487 0.33235753590421 0.82767931807376 15.999 > 91 125 O 0.86724029217487 0.66569086923754 0.82767931807376 15.999 > 91 126 O 0.86724029217487 0.99902420257087 0.82767931807376 15.999 > 91 127 O 0.50000000000000 0.32779747252806 0.25000000000000 15.999 > 97 128 O 0.50000000000000 0.66113080586139 0.25000000000000 15.999 > 97 129 O 0.50000000000000 0.99446413919473 0.25000000000000 15.999 > 97 130 O 0.50000000000000 0.32779747252806 0.75000000000000 15.999 > 97 131 O 0.50000000000000 0.66113080586139 0.75000000000000 15.999 > 97 132 O 0.50000000000000 0.99446413919473 0.75000000000000 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1409850 0.0000000 -0.0090420 0.0000000 3.4700292 0.0000000 -0.0090385 0.0000000 3.2378308 -------------------------- Born effective charges -------------------------- 1 Na 1.1147895 0.0054477 0.0117789 0.0137325 0.9761476 -0.0039778 -0.0335862 -0.0003648 0.7609230 2 Na 1.0194417 0.0020492 0.0616602 0.0102823 0.9386961 0.0113574 0.0738648 0.0030198 1.1458972 3 Na 1.0194417 -0.0020492 0.0616602 -0.0102823 0.9386961 -0.0113574 0.0738648 -0.0030198 1.1458972 4 Na 1.1147895 -0.0054477 0.0117789 -0.0137325 0.9761476 0.0039778 -0.0335862 0.0003648 0.7609230 5 Na 0.8853937 0.0000000 -0.1907323 -0.0000000 0.7787971 0.0000000 -0.1322785 0.0000000 1.2578422 6 Sb 3.7143694 0.0000000 0.2435393 -0.0000000 5.4107761 0.0000000 0.1342740 0.0000000 3.5688249 7 O -2.1648321 0.0292488 0.3603379 0.0797536 -1.5479462 -0.0439613 0.3723789 -0.0128378 -1.5358654 8 O -1.6332493 0.0166392 -0.4140020 0.0341677 -1.5605640 0.0717537 -0.3828039 0.0235647 -2.2594682 9 O -1.6332493 -0.0166392 -0.4140020 -0.0341677 -1.5605640 -0.0717537 -0.3828039 -0.0235647 -2.2594682 10 O -2.1648321 -0.0292488 0.3603379 -0.0797536 -1.5479462 0.0439613 0.3723789 0.0128378 -1.5358654 11 O -1.2720626 0.0000000 -0.0923572 -0.0000000 -3.8022401 0.0000000 -0.0617026 0.0000000 -1.0496402 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 7, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 79, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:18:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:18:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2 (5) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.371031317363979 -2.232502815000000 0.000000000000000 b 5.371031317363979 2.232502815000000 0.000000000000000 c -2.061247253680244 0.000000000000000 6.066436778533181 Atomic positions (fractional): 1 Na 0.67760207384892 0.67785671950120 0.35667106617702 22.990 2 Na 0.69540194484768 0.69860970413982 0.82248250931948 22.990 3 Na 0.30139029586018 0.30459805515232 0.17751749068052 22.990 4 Na 0.32214328049880 0.32239792615108 0.64332893382298 22.990 5 Na 0.00603233241795 0.99396766758205 0.00000000000000 22.990 6 Sb 0.97903523589425 0.02096476410575 0.50000000000000 121.760 7 O 0.13568710011251 0.12983231553775 0.34464136385249 15.999 8 O 0.14540935648897 0.14322717684731 0.79365653043211 15.999 9 O 0.85677282315269 0.85459064351103 0.20634346956789 15.999 10 O 0.87016768446225 0.86431289988749 0.65535863614751 15.999 11 O 0.51660758241582 0.48339241758418 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.742062634727958 0.000000000000000 0.000000000000000 b 0.000000000000000 13.395016890000001 0.000000000000000 c -4.122494507360488 0.000000000000000 12.132873557066363 Atomic positions (fractional): 1 Na 0.17772939667506 0.16670910760871 0.17833553308851 22.990 > 1 2 Na 0.17772939667506 0.50004244094205 0.17833553308851 22.990 > 1 3 Na 0.17772939667506 0.83337577427538 0.17833553308851 22.990 > 1 4 Na 0.17772939667506 0.16670910760871 0.67833553308851 22.990 > 1 5 Na 0.17772939667506 0.50004244094205 0.67833553308851 22.990 > 1 6 Na 0.17772939667506 0.83337577427538 0.67833553308851 22.990 > 1 7 Na 0.19700582449375 0.16720129321536 0.41124125465974 22.990 > 7 8 Na 0.19700582449375 0.50053462654869 0.41124125465974 22.990 > 7 9 Na 0.19700582449375 0.83386795988202 0.41124125465974 22.990 > 7 10 Na 0.19700582449375 0.16720129321536 0.91124125465974 22.990 > 7 11 Na 0.19700582449375 0.50053462654869 0.91124125465974 22.990 > 7 12 Na 0.19700582449375 0.83386795988202 0.91124125465974 22.990 > 7 13 Na 0.30299417550625 0.00053462654869 0.08875874534026 22.990 > 13 14 Na 0.30299417550625 0.33386795988202 0.08875874534026 22.990 > 13 15 Na 0.30299417550625 0.66720129321536 0.08875874534026 22.990 > 13 16 Na 0.30299417550625 0.00053462654869 0.58875874534026 22.990 > 13 17 Na 0.30299417550625 0.33386795988202 0.58875874534026 22.990 > 13 18 Na 0.30299417550625 0.66720129321536 0.58875874534026 22.990 > 13 19 Na 0.32227060332494 0.00004244094205 0.32166446691149 22.990 > 19 20 Na 0.32227060332494 0.33337577427538 0.32166446691149 22.990 > 19 21 Na 0.32227060332494 0.66670910760871 0.32166446691149 22.990 > 19 22 Na 0.32227060332494 0.00004244094205 0.82166446691149 22.990 > 19 23 Na 0.32227060332494 0.33337577427538 0.82166446691149 22.990 > 19 24 Na 0.32227060332494 0.66670910760871 0.82166446691149 22.990 > 19 25 Na 0.00000000000000 0.33132255586068 0.00000000000000 22.990 > 25 26 Na 0.00000000000000 0.66465588919402 0.00000000000000 22.990 > 25 27 Na 0.00000000000000 0.99798922252735 0.00000000000000 22.990 > 25 28 Na 0.00000000000000 0.33132255586068 0.50000000000000 22.990 > 25 29 Na 0.00000000000000 0.66465588919402 0.50000000000000 22.990 > 25 30 Na 0.00000000000000 0.99798922252735 0.50000000000000 22.990 > 25 31 Na 0.67772939667506 0.00004244094205 0.17833553308851 22.990 > 1 32 Na 0.67772939667506 0.33337577427538 0.17833553308851 22.990 > 1 33 Na 0.67772939667506 0.66670910760871 0.17833553308851 22.990 > 1 34 Na 0.67772939667506 0.00004244094205 0.67833553308851 22.990 > 1 35 Na 0.67772939667506 0.33337577427538 0.67833553308851 22.990 > 1 36 Na 0.67772939667506 0.66670910760871 0.67833553308851 22.990 > 1 37 Na 0.69700582449375 0.00053462654869 0.41124125465974 22.990 > 7 38 Na 0.69700582449375 0.33386795988202 0.41124125465974 22.990 > 7 39 Na 0.69700582449375 0.66720129321536 0.41124125465974 22.990 > 7 40 Na 0.69700582449375 0.00053462654869 0.91124125465974 22.990 > 7 41 Na 0.69700582449375 0.33386795988202 0.91124125465974 22.990 > 7 42 Na 0.69700582449375 0.66720129321536 0.91124125465974 22.990 > 7 43 Na 0.80299417550625 0.16720129321536 0.08875874534026 22.990 > 13 44 Na 0.80299417550625 0.50053462654869 0.08875874534026 22.990 > 13 45 Na 0.80299417550625 0.83386795988202 0.08875874534026 22.990 > 13 46 Na 0.80299417550625 0.16720129321536 0.58875874534026 22.990 > 13 47 Na 0.80299417550625 0.50053462654869 0.58875874534026 22.990 > 13 48 Na 0.80299417550625 0.83386795988202 0.58875874534026 22.990 > 13 49 Na 0.82227060332494 0.16670910760871 0.32166446691149 22.990 > 19 50 Na 0.82227060332494 0.50004244094205 0.32166446691149 22.990 > 19 51 Na 0.82227060332494 0.83337577427538 0.32166446691149 22.990 > 19 52 Na 0.82227060332494 0.16670910760871 0.82166446691149 22.990 > 19 53 Na 0.82227060332494 0.50004244094205 0.82166446691149 22.990 > 19 54 Na 0.82227060332494 0.83337577427538 0.82166446691149 22.990 > 19 55 Na 0.50000000000000 0.16465588919402 0.00000000000000 22.990 > 25 56 Na 0.50000000000000 0.49798922252735 0.00000000000000 22.990 > 25 57 Na 0.50000000000000 0.83132255586068 0.00000000000000 22.990 > 25 58 Na 0.50000000000000 0.16465588919402 0.50000000000000 22.990 > 25 59 Na 0.50000000000000 0.49798922252735 0.50000000000000 22.990 > 25 60 Na 0.50000000000000 0.83132255586068 0.50000000000000 22.990 > 25 61 Sb 0.00000000000000 0.00698825470192 0.25000000000000 121.760 > 61 62 Sb 0.00000000000000 0.34032158803525 0.25000000000000 121.760 > 61 63 Sb 0.00000000000000 0.67365492136858 0.25000000000000 121.760 > 61 64 Sb 0.00000000000000 0.00698825470192 0.75000000000000 121.760 > 61 65 Sb 0.00000000000000 0.34032158803525 0.75000000000000 121.760 > 61 66 Sb 0.00000000000000 0.67365492136858 0.75000000000000 121.760 > 61 67 Sb 0.50000000000000 0.17365492136858 0.25000000000000 121.760 > 61 68 Sb 0.50000000000000 0.50698825470192 0.25000000000000 121.760 > 61 69 Sb 0.50000000000000 0.84032158803525 0.25000000000000 121.760 > 61 70 Sb 0.50000000000000 0.17365492136858 0.75000000000000 121.760 > 61 71 Sb 0.50000000000000 0.50698825470192 0.75000000000000 121.760 > 61 72 Sb 0.50000000000000 0.84032158803525 0.75000000000000 121.760 > 61 73 O 0.13275970782513 0.33235753590421 0.17232068192624 15.999 > 73 74 O 0.13275970782513 0.66569086923754 0.17232068192624 15.999 > 73 75 O 0.13275970782513 0.99902420257087 0.17232068192624 15.999 > 73 76 O 0.13275970782513 0.33235753590421 0.67232068192624 15.999 > 73 77 O 0.13275970782513 0.66569086923754 0.67232068192624 15.999 > 73 78 O 0.13275970782513 0.99902420257087 0.67232068192624 15.999 > 73 79 O 0.14431826666814 0.33296963672639 0.39682826521606 15.999 > 79 80 O 0.14431826666814 0.66630297005972 0.39682826521606 15.999 > 79 81 O 0.14431826666814 0.99963630339306 0.39682826521606 15.999 > 79 82 O 0.14431826666814 0.33296963672639 0.89682826521606 15.999 > 79 83 O 0.14431826666814 0.66630297005972 0.89682826521606 15.999 > 79 84 O 0.14431826666814 0.99963630339306 0.89682826521606 15.999 > 79 85 O 0.35568173333186 0.16630297005972 0.10317173478394 15.999 > 85 86 O 0.35568173333186 0.49963630339306 0.10317173478394 15.999 > 85 87 O 0.35568173333186 0.83296963672639 0.10317173478394 15.999 > 85 88 O 0.35568173333186 0.16630297005972 0.60317173478394 15.999 > 85 89 O 0.35568173333186 0.49963630339306 0.60317173478394 15.999 > 85 90 O 0.35568173333186 0.83296963672639 0.60317173478394 15.999 > 85 91 O 0.36724029217487 0.16569086923754 0.32767931807376 15.999 > 91 92 O 0.36724029217487 0.49902420257087 0.32767931807376 15.999 > 91 93 O 0.36724029217487 0.83235753590421 0.32767931807376 15.999 > 91 94 O 0.36724029217487 0.16569086923754 0.82767931807376 15.999 > 91 95 O 0.36724029217487 0.49902420257087 0.82767931807376 15.999 > 91 96 O 0.36724029217487 0.83235753590421 0.82767931807376 15.999 > 91 97 O 0.00000000000000 0.16113080586139 0.25000000000000 15.999 > 97 98 O 0.00000000000000 0.49446413919473 0.25000000000000 15.999 > 97 99 O 0.00000000000000 0.82779747252806 0.25000000000000 15.999 > 97 100 O 0.00000000000000 0.16113080586139 0.75000000000000 15.999 > 97 101 O 0.00000000000000 0.49446413919473 0.75000000000000 15.999 > 97 102 O 0.00000000000000 0.82779747252806 0.75000000000000 15.999 > 97 103 O 0.63275970782513 0.16569086923754 0.17232068192624 15.999 > 73 104 O 0.63275970782513 0.49902420257087 0.17232068192624 15.999 > 73 105 O 0.63275970782513 0.83235753590421 0.17232068192624 15.999 > 73 106 O 0.63275970782513 0.16569086923754 0.67232068192624 15.999 > 73 107 O 0.63275970782513 0.49902420257087 0.67232068192624 15.999 > 73 108 O 0.63275970782513 0.83235753590421 0.67232068192624 15.999 > 73 109 O 0.64431826666814 0.16630297005972 0.39682826521606 15.999 > 79 110 O 0.64431826666814 0.49963630339306 0.39682826521606 15.999 > 79 111 O 0.64431826666814 0.83296963672639 0.39682826521606 15.999 > 79 112 O 0.64431826666814 0.16630297005972 0.89682826521606 15.999 > 79 113 O 0.64431826666814 0.49963630339306 0.89682826521606 15.999 > 79 114 O 0.64431826666814 0.83296963672639 0.89682826521606 15.999 > 79 115 O 0.85568173333186 0.33296963672639 0.10317173478394 15.999 > 85 116 O 0.85568173333186 0.66630297005972 0.10317173478394 15.999 > 85 117 O 0.85568173333186 0.99963630339306 0.10317173478394 15.999 > 85 118 O 0.85568173333186 0.33296963672639 0.60317173478394 15.999 > 85 119 O 0.85568173333186 0.66630297005972 0.60317173478394 15.999 > 85 120 O 0.85568173333186 0.99963630339306 0.60317173478394 15.999 > 85 121 O 0.86724029217487 0.33235753590421 0.32767931807376 15.999 > 91 122 O 0.86724029217487 0.66569086923754 0.32767931807376 15.999 > 91 123 O 0.86724029217487 0.99902420257087 0.32767931807376 15.999 > 91 124 O 0.86724029217487 0.33235753590421 0.82767931807376 15.999 > 91 125 O 0.86724029217487 0.66569086923754 0.82767931807376 15.999 > 91 126 O 0.86724029217487 0.99902420257087 0.82767931807376 15.999 > 91 127 O 0.50000000000000 0.32779747252806 0.25000000000000 15.999 > 97 128 O 0.50000000000000 0.66113080586139 0.25000000000000 15.999 > 97 129 O 0.50000000000000 0.99446413919473 0.25000000000000 15.999 > 97 130 O 0.50000000000000 0.32779747252806 0.75000000000000 15.999 > 97 131 O 0.50000000000000 0.66113080586139 0.75000000000000 15.999 > 97 132 O 0.50000000000000 0.99446413919473 0.75000000000000 15.999 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1409850 0.0000000 -0.0090420 0.0000000 3.4700292 0.0000000 -0.0090385 0.0000000 3.2378308 -------------------------- Born effective charges -------------------------- 1 Na 1.1147895 0.0054477 0.0117789 0.0137325 0.9761476 -0.0039778 -0.0335862 -0.0003648 0.7609230 2 Na 1.0194417 0.0020492 0.0616602 0.0102823 0.9386961 0.0113574 0.0738648 0.0030198 1.1458972 3 Na 1.0194417 -0.0020492 0.0616602 -0.0102823 0.9386961 -0.0113574 0.0738648 -0.0030198 1.1458972 4 Na 1.1147895 -0.0054477 0.0117789 -0.0137325 0.9761476 0.0039778 -0.0335862 0.0003648 0.7609230 5 Na 0.8853937 0.0000000 -0.1907323 -0.0000000 0.7787971 0.0000000 -0.1322785 0.0000000 1.2578422 6 Sb 3.7143694 0.0000000 0.2435393 -0.0000000 5.4107761 0.0000000 0.1342740 0.0000000 3.5688249 7 O -2.1648321 0.0292488 0.3603379 0.0797536 -1.5479462 -0.0439613 0.3723789 -0.0128378 -1.5358654 8 O -1.6332493 0.0166392 -0.4140020 0.0341677 -1.5605640 0.0717537 -0.3828039 0.0235647 -2.2594682 9 O -1.6332493 -0.0166392 -0.4140020 -0.0341677 -1.5605640 -0.0717537 -0.3828039 -0.0235647 -2.2594682 10 O -2.1648321 -0.0292488 0.3603379 -0.0797536 -1.5479462 0.0439613 0.3723789 0.0128378 -1.5358654 11 O -1.2720626 0.0000000 -0.0923572 -0.0000000 -3.8022401 0.0000000 -0.0617026 0.0000000 -1.0496402 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) 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 ... [ 12 12 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/320) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 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 3.389 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.253 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 13.619 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 15.097 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000 17.790 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/320) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 13.361 -24.291 4.964) 28.164 0.657 ( -10.236 -39.318 -2.271) 40.692 1.178 ( 33.612 -46.226 8.010) 57.713 3.435 ( -0.833 -3.252 0.177) 3.361 4.379 ( -2.344 0.391 0.187) 2.383 4.699 ( -0.151 2.317 -0.845) 2.470 4.970 ( 0.321 0.799 -6.268) 6.327 5.002 ( 0.070 -0.051 6.923) 6.924 5.323 ( -4.953 -0.157 1.638) 5.220 5.551 ( 0.935 -16.774 5.420) 17.652 5.785 ( -2.825 0.352 -4.733) 5.523 6.109 ( -13.110 -6.396 -6.519) 15.978 6.847 ( -7.777 -6.130 -2.287) 10.163 7.065 ( 2.647 0.814 1.287) 3.054 7.304 ( 4.592 -7.397 5.915) 10.526 7.639 ( 1.762 -1.391 -0.115) 2.248 7.773 ( 0.111 -2.227 -0.337) 2.255 8.266 ( 0.724 -2.108 0.757) 2.353 8.433 ( 1.251 0.537 -1.842) 2.290 9.532 ( 0.184 3.049 -0.602) 3.114 9.897 ( -1.590 9.976 -0.187) 10.104 10.843 ( -0.153 4.535 -0.186) 4.542 10.987 ( -12.032 1.952 5.778) 13.489 11.304 ( -0.114 -4.215 -1.474) 4.467 11.754 ( -6.787 -4.114 -0.141) 7.938 12.709 ( -36.437 -26.499 -71.034) 84.117 13.294 ( 1.584 0.482 2.169) 2.729 13.553 ( 2.460 4.716 5.537) 7.678 14.428 ( -29.278 -9.166 -32.240) 44.504 14.667 ( -32.006 -20.729 -18.562) 42.410 15.888 ( -26.284 9.353 136.518) 139.340 17.596 ( 64.124 23.357 -35.864) 77.095 17.881 ( 22.789 6.149 -11.237) 26.142 ======================= Grid point 2 (3/320) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 13.135 -25.279 3.110) 28.657 1.289 ( -9.991 -36.925 -2.324) 38.323 2.249 ( 30.661 -38.427 7.050) 49.664 3.500 ( -0.890 -4.208 -0.381) 4.318 4.351 ( -4.418 -0.355 0.044) 4.432 4.635 ( -0.342 3.784 -1.981) 4.285 4.956 ( 0.234 -2.405 -7.306) 7.695 5.076 ( 0.339 -4.112 7.473) 8.536 5.334 ( -5.910 -5.636 3.156) 8.755 5.709 ( -0.478 0.211 -9.642) 9.656 5.919 ( 2.325 -12.228 16.274) 20.488 6.198 ( -6.262 -14.443 -3.101) 16.045 6.862 ( -13.124 -4.664 1.261) 13.985 7.058 ( 3.121 1.237 -6.680) 7.476 7.540 ( 0.295 -10.474 5.614) 11.888 7.716 ( 1.081 -2.460 -2.193) 3.468 7.830 ( 3.551 -6.849 -0.439) 7.728 8.310 ( -1.069 -2.341 0.156) 2.578 8.425 ( 1.480 1.193 -2.010) 2.767 9.461 ( -1.482 3.346 -0.535) 3.698 9.642 ( -0.838 14.965 -1.151) 15.033 10.710 ( -0.399 9.271 -0.489) 9.292 10.892 ( -3.603 2.219 2.869) 5.113 11.367 ( -1.569 -3.440 -2.364) 4.460 11.766 ( -7.655 -3.039 -1.133) 8.314 12.732 ( -17.746 -13.167 -36.383) 42.568 13.302 ( 3.097 1.676 3.375) 4.878 13.489 ( 3.779 5.766 6.666) 9.589 14.281 ( -16.328 -1.938 -22.518) 27.883 14.740 ( -17.041 -11.040 -7.101) 21.511 15.860 ( -9.610 7.228 65.625) 66.717 17.558 ( 30.451 12.366 -17.073) 37.037 17.913 ( 11.437 2.854 -3.997) 12.447 ======================= Grid point 3 (4/320) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 11.616 -25.270 0.712) 27.821 1.845 ( -9.042 -30.550 -2.023) 31.924 3.064 ( 22.384 -23.290 4.099) 32.562 3.584 ( 2.385 -5.359 0.042) 5.866 4.317 ( -6.361 0.113 0.093) 6.363 4.554 ( -0.470 3.337 -2.619) 4.268 5.028 ( 0.863 -7.009 -8.361) 10.944 5.206 ( 1.272 -7.203 6.900) 10.055 5.448 ( -4.972 -9.063 3.847) 11.030 5.732 ( 0.768 -5.746 -5.629) 8.081 6.121 ( 2.390 -5.925 10.529) 12.316 6.502 ( -5.949 -17.838 2.342) 18.950 6.847 ( -11.438 -3.131 3.700) 12.423 7.074 ( -0.216 -5.623 -4.171) 7.004 7.524 ( -4.036 6.784 -0.742) 7.929 7.902 ( 4.232 -12.073 -0.203) 12.795 7.982 ( 2.946 -2.896 -1.061) 4.265 8.344 ( 3.595 2.163 0.659) 4.247 8.410 ( 0.860 -2.521 -3.126) 4.107 9.342 ( -2.553 10.267 0.004) 10.579 9.427 ( -2.230 1.936 -1.886) 3.504 10.497 ( -0.075 12.985 -1.141) 13.035 10.871 ( -1.474 -1.311 1.915) 2.749 11.395 ( -3.420 -2.614 -2.460) 4.958 11.739 ( -5.828 -0.181 -1.853) 6.118 12.712 ( -12.875 -5.516 -23.806) 27.621 13.290 ( 5.139 3.611 2.927) 6.930 13.456 ( 4.098 3.001 8.205) 9.650 14.136 ( -10.407 0.494 -17.964) 20.767 14.779 ( -13.348 -7.606 -4.698) 16.065 15.816 ( -3.370 7.047 40.130) 40.883 17.521 ( 18.706 8.169 -10.028) 22.742 17.924 ( 6.738 2.786 -1.243) 7.396 ======================= Grid point 4 (5/320) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -4.455 -20.294 -3.939) 21.148 2.290 ( 6.031 -21.427 1.077) 22.286 3.421 ( 3.715 -5.860 -0.256) 6.943 3.823 ( 15.480 -11.751 3.157) 19.690 4.220 ( -6.806 4.708 -1.802) 8.470 4.513 ( -1.049 -0.162 -0.997) 1.456 5.164 ( 1.744 -7.480 -6.963) 10.367 5.355 ( -0.341 -4.201 4.688) 6.304 5.613 ( -1.962 -12.288 2.360) 12.666 5.913 ( 1.681 -12.742 -2.517) 13.097 6.266 ( -4.904 -7.623 5.948) 10.841 6.685 ( -4.224 -6.884 0.415) 8.087 6.811 ( 1.186 2.291 4.040) 4.794 7.162 ( -8.448 3.307 2.805) 9.496 7.454 ( -0.639 -9.747 -0.820) 9.803 7.916 ( 2.601 7.233 -3.271) 8.353 8.171 ( 4.370 -8.064 0.744) 9.202 8.277 ( 1.917 4.083 -0.526) 4.541 8.493 ( 0.707 -4.019 -0.334) 4.094 9.199 ( -3.479 2.128 0.433) 4.102 9.427 ( -1.018 -3.782 -3.205) 5.061 10.223 ( 0.873 16.023 -2.127) 16.187 10.916 ( -1.431 -3.970 1.041) 4.346 11.406 ( -3.808 -1.847 -1.510) 4.493 11.683 ( -3.629 1.172 -1.415) 4.068 12.609 ( -9.278 1.523 -14.979) 17.685 13.282 ( 5.511 2.159 1.268) 6.053 13.468 ( 2.651 1.180 7.522) 8.063 14.016 ( -5.781 1.028 -13.252) 14.495 14.798 ( -10.639 -5.693 -3.659) 12.609 15.759 ( -0.553 6.389 24.888) 25.701 17.492 ( 11.605 5.285 -5.779) 14.001 17.909 ( 3.856 2.906 -0.023) 4.828 ======================= Grid point 5 (6/320) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -6.228 -8.281 -2.637) 10.692 2.699 ( 7.493 -14.131 -0.140) 15.996 3.502 ( 0.404 -2.846 1.166) 3.102 4.047 ( -5.297 6.475 -3.277) 8.985 4.172 ( 13.229 -10.319 3.112) 17.064 4.520 ( -1.055 -1.097 -0.223) 1.539 5.256 ( 0.224 -1.797 -2.555) 3.132 5.356 ( -4.458 0.517 -0.690) 4.541 5.894 ( 1.796 -15.254 0.977) 15.390 6.156 ( -0.246 -11.723 0.094) 11.726 6.333 ( -5.128 -3.318 0.665) 6.144 6.681 ( 0.753 5.173 3.132) 6.094 6.854 ( -3.243 2.608 2.033) 4.632 6.973 ( 1.795 2.546 1.195) 3.337 7.675 ( -1.532 -9.876 -2.188) 10.231 7.798 ( 0.087 4.501 0.819) 4.576 8.071 ( 4.397 12.587 0.270) 13.335 8.416 ( -0.070 -8.437 -0.274) 8.442 8.627 ( -1.311 -11.207 1.897) 11.441 9.150 ( -2.133 1.557 -0.043) 2.641 9.512 ( 0.148 -4.439 -2.204) 4.958 9.926 ( 1.519 14.494 -2.802) 14.840 10.993 ( -0.656 -4.778 -0.188) 4.826 11.370 ( -2.918 2.843 -0.016) 4.074 11.667 ( -1.741 -2.205 -0.322) 2.828 12.463 ( -4.701 4.070 -7.535) 9.769 13.294 ( 3.118 0.637 0.086) 3.183 13.484 ( 1.121 0.512 4.451) 4.618 13.943 ( -2.178 0.588 -7.062) 7.413 14.810 ( -6.231 -3.505 -2.230) 7.489 15.707 ( 0.298 4.097 12.349) 13.014 17.474 ( 5.698 2.644 -2.657) 6.820 17.883 ( 1.760 1.976 0.260) 2.659 ======================= Grid point 6 (7/320) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.000 -0.000 0.000) 0.000 2.870 ( 0.000 -0.000 0.000) 0.000 3.543 ( 0.000 -0.000 -0.000) 0.000 3.937 ( 0.000 -0.000 0.000) 0.000 4.350 ( 0.000 -0.000 0.000) 0.000 4.527 ( 0.000 -0.000 0.000) 0.000 5.234 ( 0.000 -0.000 0.000) 0.000 5.342 ( 0.000 -0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 -0.000 0.000) 0.000 6.357 ( 0.000 -0.000 0.000) 0.000 6.597 ( 0.000 -0.000 0.000) 0.000 6.732 ( 0.000 -0.000 -0.000) 0.000 7.035 ( 0.000 -0.000 0.000) 0.000 7.755 ( 0.000 -0.000 -0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 7.936 ( 0.000 -0.000 0.000) 0.000 8.494 ( 0.000 -0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 -0.000 0.000) 0.000 9.535 ( 0.000 -0.000 0.000) 0.000 9.783 ( 0.000 -0.000 0.000) 0.000 11.051 ( 0.000 -0.000 0.000) 0.000 11.310 ( 0.000 -0.000 0.000) 0.000 11.693 ( 0.000 -0.000 0.000) 0.000 12.388 ( 0.000 -0.000 0.000) 0.000 13.300 ( 0.000 -0.000 -0.000) 0.000 13.489 ( 0.000 -0.000 0.000) 0.000 13.920 ( 0.000 -0.000 0.000) 0.000 14.817 ( 0.000 -0.000 0.000) 0.000 15.685 ( 0.000 -0.000 0.000) 0.000 17.467 ( 0.000 -0.000 0.000) 0.000 17.871 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/320) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 28.992 -0.000 14.905) 32.599 0.653 ( 37.841 -0.000 11.323) 39.499 0.970 ( 57.443 -0.000 12.425) 58.772 3.391 ( -0.258 0.000 1.373) 1.397 4.359 ( -5.630 0.000 3.401) 6.578 4.716 ( -0.772 0.000 -0.889) 1.178 5.037 ( -0.357 0.000 -1.886) 1.920 5.052 ( -0.947 0.000 4.981) 5.071 5.100 ( -1.993 0.000 0.011) 1.993 5.335 ( -2.865 0.000 5.261) 5.991 5.437 ( -0.727 0.000 1.640) 1.794 5.830 ( 3.770 -0.000 -6.601) 7.602 6.804 ( 1.548 -0.000 -2.596) 3.022 7.136 ( -7.809 0.000 4.779) 9.155 7.300 ( -1.382 0.000 11.499) 11.581 7.609 ( -5.277 0.000 -1.327) 5.441 7.723 ( -2.605 0.000 1.137) 2.843 8.386 ( -6.908 0.000 3.645) 7.810 8.590 ( 3.631 -0.000 -14.574) 15.019 9.519 ( 2.325 -0.000 1.097) 2.571 9.597 ( 2.647 -0.000 1.894) 3.255 10.152 ( 0.776 -0.000 -11.330) 11.356 10.889 ( -0.005 0.000 -0.026) 0.027 11.249 ( 0.993 -0.000 -2.181) 2.397 11.510 ( 16.176 -0.000 -46.743) 49.462 11.771 ( 3.220 -0.000 -14.802) 15.149 13.324 ( 3.130 -0.000 3.603) 4.772 13.626 ( 0.812 -0.000 0.072) 0.815 13.877 ( -10.582 0.000 19.149) 21.879 14.541 ( -2.113 0.000 3.438) 4.035 16.030 ( -36.339 0.000 112.466) 118.191 17.810 ( 2.093 -0.000 1.176) 2.401 18.870 ( 23.021 -0.000 -73.657) 77.171 ======================= Grid point 15 (9/320) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 24.437 -6.282 7.734) 26.390 0.939 ( 25.310 -14.095 9.261) 30.414 1.875 ( 45.736 -33.157 10.571) 57.471 3.421 ( -1.086 -2.912 0.936) 3.246 4.311 ( -6.389 0.368 0.327) 6.408 4.681 ( -1.213 2.289 -2.676) 3.725 4.944 ( 0.363 2.112 -5.467) 5.872 5.043 ( -0.025 -0.944 7.629) 7.687 5.231 ( -8.397 -1.240 6.371) 10.614 5.560 ( -9.222 -21.227 7.749) 24.406 5.670 ( -0.479 -7.688 -7.743) 10.922 5.928 ( -4.024 -11.967 -3.224) 13.030 6.745 ( -6.099 2.940 -1.831) 7.014 7.077 ( 1.705 0.014 -1.449) 2.237 7.385 ( 0.566 -7.733 6.267) 9.970 7.643 ( -1.190 -2.768 -1.974) 3.602 7.757 ( -2.790 -6.414 -0.131) 6.996 8.259 ( -4.056 2.494 3.782) 6.080 8.453 ( 3.509 2.437 -6.392) 7.688 9.531 ( 0.454 3.795 -1.484) 4.100 9.856 ( -3.053 6.737 -0.235) 7.400 10.636 ( -27.864 -33.799 -2.853) 43.897 10.843 ( -0.241 4.965 -0.152) 4.974 11.291 ( 0.400 -2.701 -3.516) 4.452 11.534 ( -8.829 -7.532 -15.816) 19.617 12.027 ( -2.422 -26.497 -37.772) 46.202 13.360 ( 4.014 0.537 5.266) 6.644 13.607 ( 1.830 2.889 1.927) 3.925 13.935 ( -13.568 -8.996 -5.597) 17.215 14.554 ( -3.952 -2.581 4.890) 6.797 16.020 ( -18.531 3.008 67.326) 69.894 17.818 ( 4.359 2.214 0.271) 4.897 18.425 ( 33.551 31.253 -33.034) 56.513 ======================= Grid point 16 (10/320) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.148 -24.905 1.625) 25.961 1.455 ( 20.940 -19.286 5.329) 28.962 2.801 ( 33.203 -27.905 7.173) 43.961 3.489 ( 0.088 -5.148 -0.291) 5.157 4.257 ( -7.684 -0.459 0.493) 7.713 4.603 ( -1.762 3.611 -4.114) 5.750 4.927 ( 1.080 -2.124 -6.999) 7.393 5.109 ( -1.798 -4.525 7.548) 8.982 5.267 ( -5.106 -6.767 6.769) 10.848 5.663 ( -0.019 -2.785 -7.723) 8.210 6.003 ( -1.977 -18.153 8.522) 20.151 6.103 ( -4.266 -13.496 6.932) 15.760 6.641 ( -14.485 -2.091 -1.113) 14.677 7.090 ( 4.955 1.629 -4.304) 6.762 7.533 ( -3.725 -2.738 2.367) 5.194 7.727 ( 1.885 -9.391 -2.975) 10.029 7.891 ( 3.551 -7.568 0.236) 8.363 8.272 ( -4.275 -5.679 1.306) 7.227 8.429 ( 0.718 0.894 -4.741) 4.878 9.429 ( -1.964 5.660 -0.769) 6.041 9.616 ( -1.345 14.382 -2.094) 14.596 10.701 ( -0.184 9.509 -0.719) 9.538 10.814 ( -8.714 -6.417 2.366) 11.078 11.299 ( -4.906 -2.283 -5.985) 8.068 11.591 ( -10.118 -8.209 -5.357) 14.088 12.313 ( -8.923 -17.788 -29.764) 35.804 13.388 ( 4.284 1.751 5.899) 7.498 13.567 ( 2.532 3.516 3.207) 5.390 13.939 ( -11.343 -5.296 -14.397) 19.079 14.590 ( -6.293 -4.030 3.290) 8.164 15.989 ( -9.135 4.571 43.711) 44.889 17.786 ( 8.928 6.364 -3.183) 11.417 18.154 ( 20.581 15.384 -14.036) 29.279 ======================= Grid point 17 (11/320) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.803 -24.439 -0.378) 24.509 1.992 ( 17.647 -20.517 2.529) 27.180 3.331 ( 8.659 -8.633 0.661) 12.245 3.688 ( 10.714 -13.162 0.226) 16.973 4.206 ( -8.240 0.112 0.833) 8.283 4.511 ( -2.644 2.701 -3.878) 5.415 5.013 ( 2.267 -6.994 -7.313) 10.369 5.253 ( 1.113 -9.324 5.814) 11.044 5.396 ( -4.692 -8.370 5.966) 11.299 5.758 ( 5.288 -7.282 -3.752) 9.750 6.149 ( -3.549 -4.817 6.165) 8.591 6.431 ( -4.743 -12.943 1.189) 13.836 6.704 ( -12.260 -17.549 14.308) 25.749 7.065 ( 2.912 2.601 -5.237) 6.532 7.456 ( -3.689 4.574 -2.157) 6.260 7.945 ( 2.427 -8.567 -3.143) 9.443 8.039 ( 3.641 -5.171 0.356) 6.335 8.355 ( -1.887 0.255 0.379) 1.942 8.429 ( 3.418 -4.837 -4.302) 7.320 9.280 ( -5.323 8.702 0.392) 10.208 9.384 ( -1.428 4.475 -2.964) 5.554 10.492 ( 0.479 12.638 -1.867) 12.784 10.848 ( -2.905 -2.438 2.162) 4.366 11.299 ( -7.065 -4.490 -3.960) 9.260 11.627 ( -5.976 -3.423 -3.742) 7.838 12.413 ( -8.957 -8.062 -20.392) 23.687 13.388 ( 4.207 3.108 4.550) 6.933 13.542 ( 2.198 2.268 4.414) 5.428 13.905 ( -6.589 -2.868 -13.604) 15.385 14.622 ( -6.995 -4.511 0.858) 8.368 15.935 ( -4.229 6.014 29.422) 30.326 17.709 ( 10.919 8.602 -5.378) 14.904 18.042 ( 9.125 7.476 -4.256) 12.541 ======================= Grid point 18 (12/320) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 1.016 -16.522 -0.393) 16.558 2.483 ( 14.136 -17.486 1.028) 22.509 3.444 ( 0.679 -3.425 -0.646) 3.551 4.020 ( 7.138 -12.836 -2.084) 14.835 4.109 ( -6.258 3.618 -0.695) 7.262 4.461 ( -4.544 -1.211 -1.816) 5.041 5.120 ( -3.565 -5.427 -7.419) 9.859 5.398 ( 2.827 -1.158 4.105) 5.117 5.608 ( 1.069 -15.971 3.342) 16.352 5.963 ( 3.913 -9.655 -0.751) 10.445 6.221 ( -3.368 -4.723 7.820) 9.737 6.619 ( -2.828 -12.756 -0.970) 13.101 6.882 ( 0.891 3.605 9.687) 10.375 7.045 ( -6.346 -0.966 -0.621) 6.449 7.443 ( -0.162 -9.130 0.027) 9.132 7.937 ( 2.519 7.437 -4.350) 8.977 8.220 ( 0.276 -8.776 -0.940) 8.830 8.305 ( 2.310 2.594 0.972) 3.607 8.509 ( 1.945 -0.619 -0.654) 2.143 9.124 ( -6.532 1.381 0.639) 6.707 9.393 ( -0.708 -5.717 -4.110) 7.077 10.226 ( 1.277 15.743 -2.902) 16.059 10.890 ( -2.561 -4.156 0.995) 4.982 11.334 ( -4.248 -4.022 -0.848) 5.911 11.619 ( -3.379 -1.429 -2.432) 4.402 12.390 ( -8.063 -1.990 -13.985) 16.265 13.370 ( 3.341 2.847 2.843) 5.230 13.532 ( 1.717 1.833 4.331) 5.006 13.883 ( -2.671 -1.996 -9.487) 10.056 14.664 ( -5.512 -5.447 -0.723) 7.783 15.855 ( -1.623 6.779 18.706) 19.963 17.616 ( 7.891 7.626 -4.403) 11.824 17.972 ( 4.032 5.016 -0.675) 6.471 ======================= Grid point 19 (13/320) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 4.289 -8.320 1.241) 9.442 2.825 ( 8.171 -8.149 1.120) 11.594 3.510 ( 0.280 -3.124 -0.932) 3.272 3.966 ( -2.894 3.989 -1.537) 5.162 4.263 ( -2.458 -7.803 -2.583) 8.580 4.464 ( -5.320 -3.450 -1.413) 6.497 5.118 ( -7.872 -3.266 -5.981) 10.412 5.439 ( 8.002 1.133 2.324) 8.409 5.942 ( 3.791 -14.667 2.953) 15.434 6.141 ( -2.591 -9.271 0.402) 9.635 6.328 ( 1.311 -4.463 7.170) 8.546 6.687 ( -0.558 6.989 -0.704) 7.046 6.801 ( -4.794 2.990 1.739) 5.912 7.027 ( 4.769 -1.362 0.043) 4.959 7.647 ( -0.240 -8.389 -2.466) 8.747 7.798 ( -0.954 4.885 1.392) 5.169 8.132 ( 3.040 12.738 -0.280) 13.098 8.421 ( 0.806 -7.651 0.977) 7.756 8.628 ( -0.077 -11.547 1.663) 11.667 9.088 ( -5.469 -1.188 -0.912) 5.670 9.502 ( 0.222 -5.066 -2.519) 5.662 9.931 ( 1.032 14.563 -3.070) 14.919 10.970 ( -2.116 -5.923 -0.323) 6.298 11.337 ( -1.360 1.617 1.160) 2.411 11.659 ( 0.538 -4.488 0.110) 4.521 12.320 ( -7.273 -1.310 -9.193) 11.795 13.349 ( 2.238 2.463 2.404) 4.105 13.517 ( 1.203 2.123 2.559) 3.536 13.889 ( -0.777 -2.052 -4.433) 4.946 14.741 ( -1.786 -6.054 -1.094) 6.406 15.762 ( -0.427 6.109 8.936) 10.833 17.527 ( 2.923 5.437 -2.350) 6.605 17.913 ( 1.746 3.502 0.182) 3.918 ======================= Grid point 20 (14/320) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 10.253 -1.531 3.907) 11.079 2.874 ( -0.264 7.049 1.803) 7.280 3.526 ( -0.555 0.568 -3.591) 3.678 3.980 ( 4.241 -4.912 2.628) 7.002 4.188 ( -17.133 5.483 -5.824) 18.908 4.489 ( -4.320 -3.075 -1.417) 5.488 5.166 ( -1.412 -6.142 -2.817) 6.903 5.482 ( 8.690 2.759 3.707) 9.842 6.105 ( 1.576 5.016 1.000) 5.352 6.278 ( -0.920 -4.140 0.328) 4.254 6.354 ( -1.182 0.042 7.243) 7.339 6.633 ( 5.065 -2.622 -6.078) 8.335 6.727 ( -0.957 -0.477 2.109) 2.365 7.025 ( -0.433 4.679 -2.040) 5.123 7.722 ( -0.952 -4.202 -7.726) 8.846 7.784 ( -1.413 -0.145 6.603) 6.754 7.952 ( 1.339 5.766 1.203) 6.041 8.524 ( 3.552 0.353 0.922) 3.687 8.787 ( 0.869 0.126 0.201) 0.901 9.080 ( -4.732 -3.674 -1.310) 6.133 9.541 ( 1.153 -0.579 -1.046) 1.661 9.771 ( -1.569 0.364 0.443) 1.671 11.036 ( -1.572 -1.193 -0.181) 1.982 11.322 ( 1.087 -1.898 0.845) 2.345 11.732 ( 4.342 0.702 1.323) 4.593 12.334 ( -5.288 -8.555 -3.500) 10.649 13.322 ( 1.121 2.934 3.757) 4.897 13.483 ( -0.181 2.050 -1.803) 2.736 13.928 ( 0.461 -2.942 1.319) 3.257 14.849 ( 3.606 -4.483 0.525) 5.777 15.676 ( -0.530 3.487 -1.592) 3.870 17.448 ( -2.202 2.889 -0.102) 3.634 17.873 ( 0.235 1.529 0.056) 1.548 ======================= Grid point 21 (15/320) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 2.327 14.947 5.176) 15.988 2.636 ( 8.184 12.251 1.131) 14.776 3.485 ( -1.396 3.114 -1.238) 3.630 3.856 ( -21.405 8.985 -6.940) 24.229 4.163 ( 6.626 -7.213 3.285) 10.330 4.500 ( -3.104 -1.590 -1.165) 3.677 5.232 ( -0.576 -0.661 1.157) 1.452 5.463 ( 4.296 5.894 0.769) 7.334 5.856 ( -2.462 14.938 -0.756) 15.159 6.192 ( 3.871 12.356 3.001) 13.292 6.456 ( 8.387 4.158 3.051) 9.846 6.627 ( -3.208 -3.847 -3.691) 6.222 6.871 ( 0.444 2.664 -4.773) 5.484 6.955 ( 0.168 -13.300 -0.740) 13.322 7.709 ( 1.207 9.562 2.085) 9.861 7.790 ( -0.427 -4.682 -0.703) 4.753 8.005 ( -3.525 -10.389 -0.508) 10.982 8.424 ( 0.523 11.692 1.015) 11.748 8.649 ( 2.369 11.126 -1.469) 11.470 9.157 ( -0.808 -5.742 -0.572) 5.827 9.519 ( -0.330 4.305 1.394) 4.537 9.916 ( -1.269 -15.086 1.908) 15.259 10.995 ( -0.300 3.487 -0.000) 3.499 11.414 ( 2.292 -4.180 0.459) 4.789 11.716 ( 3.683 2.852 0.855) 4.737 12.531 ( 0.541 -13.194 3.176) 13.581 13.271 ( -1.252 3.579 5.021) 6.292 13.433 ( -1.461 1.240 -6.684) 6.953 14.018 ( 2.386 -4.473 6.596) 8.319 14.956 ( 9.448 -0.492 5.295) 10.842 15.620 ( -1.853 -0.783 -14.204) 14.346 17.385 ( -6.824 0.437 2.294) 7.212 17.860 ( -1.072 -0.340 -0.208) 1.143 ======================= Grid point 22 (16/320) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -6.555 25.200 0.181) 26.039 2.473 ( 17.307 22.953 4.689) 29.127 3.259 ( -17.249 14.662 -3.305) 22.878 3.625 ( -5.492 2.108 -1.984) 6.208 4.333 ( 6.398 -4.001 1.742) 7.744 4.502 ( -2.605 -1.890 -0.332) 3.236 5.182 ( -0.177 6.099 6.463) 8.888 5.327 ( -1.011 8.999 -5.065) 10.376 5.618 ( 0.158 8.562 -1.825) 8.755 5.961 ( 4.360 14.973 5.970) 16.698 6.257 ( -1.705 13.361 -8.225) 15.782 6.708 ( 0.992 1.730 -1.735) 2.644 6.848 ( 4.262 -4.213 1.826) 6.265 7.267 ( 6.765 -9.746 -2.592) 12.143 7.457 ( -1.048 13.292 0.782) 13.356 7.891 ( -2.245 -6.902 1.430) 7.397 8.126 ( -0.476 7.154 0.497) 7.187 8.232 ( -3.885 -1.987 -0.635) 4.409 8.487 ( -0.317 6.325 0.388) 6.345 9.232 ( 1.214 -2.782 -0.136) 3.039 9.453 ( 0.612 1.602 1.587) 2.336 10.222 ( -0.392 -16.420 1.094) 16.461 10.926 ( 0.491 3.693 -0.725) 3.795 11.460 ( 2.132 1.169 1.095) 2.667 11.741 ( 2.778 -2.421 0.835) 3.778 12.802 ( 6.433 -10.129 9.403) 15.244 13.207 ( -4.204 1.642 2.654) 5.236 13.383 ( -2.402 0.293 -8.240) 8.588 14.163 ( 4.261 -5.687 9.349) 11.744 15.039 ( 14.222 3.977 13.494) 20.004 15.599 ( -3.405 -5.000 -28.683) 29.314 17.337 ( -10.711 -1.415 4.868) 11.850 17.862 ( -1.977 -1.052 -0.218) 2.250 ======================= Grid point 23 (17/320) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -5.013 28.033 -0.650) 28.485 2.062 ( 12.452 33.473 3.096) 35.848 2.702 ( -17.110 29.366 -3.695) 34.187 3.573 ( -0.042 2.626 0.176) 2.632 4.394 ( 2.970 0.988 0.053) 3.131 4.557 ( -0.694 -4.854 0.797) 4.968 5.073 ( 0.708 7.278 8.358) 11.105 5.142 ( -1.602 6.175 -7.737) 10.027 5.489 ( 1.758 6.918 -1.496) 7.293 5.802 ( 4.404 6.794 7.851) 11.278 5.987 ( -5.952 8.502 -10.156) 14.521 6.574 ( 3.266 14.912 -0.847) 15.289 6.975 ( 4.800 -3.277 0.269) 5.818 7.096 ( 0.430 11.232 1.315) 11.317 7.580 ( 2.286 -9.582 -0.007) 9.851 7.844 ( -2.067 16.860 -0.481) 16.993 7.960 ( -0.879 2.269 0.752) 2.547 8.276 ( -3.323 -3.202 -0.064) 4.615 8.418 ( 0.096 1.207 0.846) 1.477 9.365 ( 0.607 -11.212 0.113) 11.229 9.461 ( 1.074 -1.010 0.562) 1.578 10.503 ( 0.118 -13.328 0.396) 13.334 10.877 ( 0.400 0.978 -0.783) 1.315 11.438 ( 1.031 2.540 0.882) 2.880 11.810 ( 2.243 -1.790 0.488) 2.911 13.005 ( 9.849 0.838 15.700) 18.553 13.196 ( -5.709 -6.093 -3.496) 9.052 13.353 ( -2.591 -1.949 -6.798) 7.532 14.330 ( 3.997 -5.901 7.767) 10.542 15.109 ( 16.651 6.206 23.731) 29.646 15.593 ( -4.288 -7.086 -40.478) 41.317 17.294 ( -12.521 -1.928 6.679) 14.321 17.861 ( -1.929 -0.369 -0.004) 1.964 ======================= Grid point 24 (18/320) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.000 28.342 0.000) 28.342 1.457 ( -0.000 37.274 0.000) 37.274 1.915 ( -0.000 44.710 0.000) 44.710 3.510 ( -0.000 4.007 0.000) 4.007 4.387 ( -0.000 0.469 0.000) 0.469 4.641 ( 0.000 -3.934 -0.000) 3.934 4.981 ( -0.000 3.047 0.000) 3.047 5.045 ( -0.000 3.494 0.000) 3.494 5.379 ( -0.000 4.630 0.000) 4.630 5.792 ( -0.000 0.020 0.000) 0.020 5.797 ( -0.000 8.725 0.000) 8.725 6.264 ( -0.000 14.251 0.000) 14.251 6.984 ( -0.000 3.412 0.000) 3.412 7.048 ( 0.000 -1.522 -0.000) 1.522 7.505 ( -0.000 16.280 0.000) 16.280 7.715 ( 0.000 -1.178 -0.000) 1.178 7.803 ( -0.000 8.112 0.000) 8.112 8.314 ( -0.000 0.033 0.000) 0.033 8.419 ( 0.000 -0.571 -0.000) 0.571 9.475 ( 0.000 -2.514 -0.000) 2.514 9.652 ( 0.000 -15.274 -0.000) 15.274 10.715 ( 0.000 -9.138 -0.000) 9.138 10.910 ( 0.000 -4.420 -0.000) 4.420 11.384 ( -0.000 3.780 0.000) 3.780 11.826 ( -0.000 1.347 0.000) 1.347 13.015 ( -0.000 3.040 0.000) 3.040 13.266 ( 0.000 -2.070 -0.000) 2.070 13.419 ( 0.000 -6.972 -0.000) 6.972 14.461 ( 0.000 -4.631 -0.000) 4.631 15.160 ( -0.000 3.385 0.000) 3.385 15.607 ( 0.000 -5.223 -0.000) 5.223 17.263 ( 0.000 -0.760 -0.000) 0.760 17.848 ( -0.000 0.686 0.000) 0.686 ======================= Grid point 27 (19/320) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 28.310 -0.000 13.645) 31.427 1.287 ( 36.155 -0.000 10.716) 37.710 1.900 ( 53.944 -0.000 10.830) 55.020 3.395 ( -0.576 0.000 2.346) 2.416 4.260 ( -8.666 0.000 1.153) 8.742 4.686 ( -2.107 0.000 -2.000) 2.905 5.007 ( -2.347 0.000 -3.086) 3.877 5.061 ( -1.262 0.000 0.732) 1.459 5.075 ( -1.192 0.000 5.917) 6.036 5.318 ( -4.093 0.000 8.960) 9.851 5.434 ( -3.479 0.000 9.896) 10.489 5.859 ( 6.126 -0.000 -12.241) 13.688 6.762 ( -6.177 0.000 -3.431) 7.066 7.088 ( 1.223 -0.000 1.237) 1.740 7.322 ( -2.347 0.000 6.302) 6.725 7.487 ( -8.704 0.000 -2.035) 8.939 7.678 ( -2.973 0.000 -1.131) 3.181 8.275 ( -10.300 0.000 5.536) 11.693 8.542 ( -0.616 0.000 -12.639) 12.654 9.567 ( 2.826 -0.000 0.624) 2.894 9.672 ( 5.888 -0.000 0.681) 5.928 10.091 ( -1.257 0.000 -9.031) 9.118 10.890 ( 0.159 -0.000 -0.059) 0.169 11.253 ( 0.505 -0.000 -0.719) 0.878 11.517 ( 6.668 -0.000 -18.293) 19.471 11.735 ( 0.892 -0.000 -9.994) 10.034 13.413 ( 4.313 -0.000 6.280) 7.619 13.642 ( 1.046 -0.000 -0.115) 1.053 13.792 ( -5.843 0.000 -1.624) 6.064 14.522 ( -3.047 0.000 4.570) 5.493 16.070 ( -14.688 0.000 52.396) 54.415 17.865 ( 3.878 -0.000 2.067) 4.395 18.824 ( 8.215 -0.000 -35.630) 36.565 ======================= Grid point 28 (20/320) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 32.359 11.757 12.448) 36.610 1.405 ( 28.659 -6.603 7.529) 30.358 2.634 ( 43.819 -23.364 9.020) 50.471 3.414 ( -0.619 -2.353 1.558) 2.889 4.187 ( -9.804 0.010 0.551) 9.820 4.634 ( -2.265 2.538 -3.842) 5.131 4.920 ( -0.310 2.010 -4.300) 4.757 5.067 ( -2.592 -0.213 7.281) 7.731 5.155 ( -5.800 -3.397 8.327) 10.701 5.434 ( -4.902 -15.102 -2.984) 16.155 5.681 ( -3.333 -17.933 12.659) 22.203 5.892 ( 2.108 -4.084 -7.590) 8.873 6.609 ( -9.313 6.346 -2.025) 11.450 7.135 ( 6.448 -0.906 -2.270) 6.896 7.392 ( -3.440 -7.794 4.907) 9.831 7.588 ( -3.532 -10.020 -4.620) 11.585 7.689 ( -4.805 -8.232 -0.405) 9.541 8.181 ( -8.680 0.971 5.215) 10.172 8.443 ( 0.040 2.965 -9.060) 9.533 9.535 ( 1.289 5.046 -1.610) 5.452 9.816 ( -1.660 6.058 -0.434) 6.296 10.295 ( -11.506 -29.672 -8.066) 32.831 10.843 ( 0.345 5.305 -0.311) 5.326 11.280 ( 0.145 0.855 -2.639) 2.778 11.407 ( -1.783 1.505 -7.745) 8.089 11.918 ( 2.265 -14.840 -15.332) 21.457 13.455 ( 3.137 0.578 6.651) 7.377 13.629 ( 0.408 1.816 -0.919) 2.076 13.773 ( -4.159 -2.812 -6.173) 7.957 14.520 ( -3.418 -1.157 3.867) 5.289 16.080 ( -9.400 1.703 38.509) 39.676 17.893 ( 4.788 1.382 1.895) 5.332 18.598 ( 11.403 17.714 -23.094) 31.259 ======================= Grid point 29 (21/320) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 22.141 -7.252 6.748) 24.256 1.833 ( 23.475 -14.137 4.735) 27.809 3.258 ( 17.694 -9.962 3.436) 20.594 3.533 ( 7.915 -10.497 -0.085) 13.147 4.121 ( -10.383 -1.208 1.487) 10.559 4.545 ( -2.370 3.757 -4.544) 6.355 4.922 ( 2.530 -3.030 -5.388) 6.679 5.110 ( -1.879 -6.072 7.000) 9.455 5.242 ( -4.140 -6.906 7.905) 11.283 5.634 ( 1.888 -10.071 -6.919) 12.364 5.973 ( -1.373 -9.357 -1.851) 9.636 6.123 ( -5.581 -23.520 19.538) 31.082 6.433 ( -10.150 2.862 -1.094) 10.603 7.160 ( 5.800 2.667 -2.357) 6.806 7.467 ( -4.622 -0.019 -1.085) 4.747 7.730 ( 0.302 -12.243 -3.777) 12.815 7.922 ( 0.000 -12.085 0.179) 12.086 8.196 ( -6.429 -8.999 2.348) 11.306 8.392 ( -1.420 -0.094 -6.751) 6.900 9.400 ( -1.116 8.833 -0.672) 8.928 9.581 ( -1.449 14.080 -2.548) 14.382 10.649 ( -10.348 -16.175 -3.937) 19.602 10.704 ( 0.188 7.882 0.724) 7.918 11.170 ( -5.984 2.470 -6.249) 8.997 11.469 ( -2.980 -6.837 -3.615) 8.288 12.137 ( -0.609 -11.261 -14.764) 18.578 13.461 ( -0.587 1.602 3.524) 3.915 13.595 ( 1.321 1.710 -0.037) 2.161 13.790 ( -1.154 -2.658 -6.069) 6.725 14.528 ( -3.743 -1.852 2.045) 4.650 16.061 ( -5.695 3.553 28.102) 28.893 17.889 ( 6.107 4.145 0.584) 7.404 18.322 ( 10.334 15.108 -12.980) 22.439 ======================= Grid point 30 (22/320) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 13.493 -14.955 3.601) 20.462 2.296 ( 19.302 -16.138 1.948) 25.234 3.395 ( 1.609 -2.418 -0.357) 2.926 3.815 ( 4.184 -11.504 -4.269) 12.964 4.073 ( -9.746 -1.030 2.046) 10.011 4.440 ( -3.653 3.422 -3.526) 6.123 4.999 ( 0.196 -3.839 -6.888) 7.887 5.302 ( -1.200 -9.943 5.903) 11.625 5.393 ( 2.776 -10.579 6.325) 12.634 5.838 ( 6.632 -8.391 -3.670) 11.308 6.132 ( -0.927 -8.345 5.093) 9.820 6.369 ( -2.643 -6.695 -0.248) 7.202 6.612 ( -10.725 -24.833 17.713) 32.334 7.117 ( 5.929 6.197 -1.813) 8.766 7.390 ( -3.030 1.710 -3.195) 4.724 7.937 ( -2.374 -8.986 -3.692) 10.000 8.067 ( 0.580 -5.274 -2.054) 5.690 8.316 ( -2.977 -1.613 0.440) 3.414 8.460 ( 3.784 -9.442 -3.804) 10.860 9.193 ( -5.863 10.534 0.583) 12.070 9.351 ( -0.879 5.588 -2.980) 6.394 10.493 ( 1.126 12.365 -2.600) 12.686 10.806 ( -3.630 -4.759 2.024) 6.319 11.142 ( -9.250 -8.298 -4.998) 13.394 11.534 ( -3.101 -3.559 -4.090) 6.246 12.241 ( -2.612 -5.081 -11.474) 12.818 13.417 ( -3.316 1.206 -0.802) 3.618 13.592 ( 3.486 1.459 3.341) 5.044 13.815 ( 0.408 -1.701 -4.737) 5.049 14.548 ( -3.304 -3.109 0.285) 4.546 16.005 ( -3.265 5.506 19.771) 20.782 17.826 ( 7.183 8.153 -1.883) 11.027 18.132 ( 5.272 9.282 -5.188) 11.868 ======================= Grid point 31 (23/320) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 10.179 -12.717 2.736) 16.517 2.713 ( 14.230 -13.015 1.352) 19.331 3.446 ( 0.165 -3.026 -1.315) 3.304 3.986 ( -5.561 -1.528 -2.117) 6.144 4.040 ( -5.137 -8.577 -3.182) 10.492 4.362 ( -6.482 -0.426 -2.175) 6.851 5.004 ( -5.138 -1.590 -6.155) 8.174 5.442 ( 1.137 -5.751 1.093) 5.963 5.706 ( 6.391 -14.815 5.263) 16.971 5.987 ( 0.944 -6.100 -0.550) 6.197 6.274 ( 2.458 -5.136 10.156) 11.644 6.591 ( -1.163 -11.924 -1.705) 12.101 6.880 ( -5.947 -2.636 11.830) 13.500 7.028 ( 5.643 2.765 -5.176) 8.141 7.457 ( 1.435 -10.177 1.884) 10.449 7.936 ( -0.290 6.504 -4.299) 7.802 8.166 ( -4.887 -7.871 -3.660) 9.961 8.345 ( 1.001 -3.780 2.958) 4.903 8.558 ( 5.022 3.818 -1.346) 6.451 9.010 ( -8.135 0.612 0.733) 8.191 9.365 ( -0.298 -6.711 -3.643) 7.642 10.232 ( 1.420 15.873 -2.962) 16.209 10.850 ( -3.045 -3.927 0.809) 5.035 11.274 ( -3.194 -9.388 0.640) 9.937 11.548 ( -3.464 -3.300 -4.295) 6.429 12.236 ( -3.863 -0.160 -8.463) 9.305 13.379 ( -2.530 -0.043 -1.190) 2.796 13.596 ( 3.847 2.728 4.565) 6.564 13.835 ( 0.247 -1.589 -3.966) 4.279 14.607 ( -1.769 -5.656 -0.704) 5.967 15.912 ( -1.567 6.958 12.350) 14.262 17.696 ( 5.009 9.656 -2.764) 11.224 18.017 ( 2.183 5.746 -0.940) 6.218 ======================= Grid point 32 (24/320) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 11.576 -9.127 3.821) 15.229 2.954 ( 6.738 -1.931 2.739) 7.525 3.493 ( -0.692 -2.219 -3.914) 4.552 3.952 ( 1.072 -1.288 1.409) 2.189 4.088 ( -14.778 -1.244 -6.294) 16.111 4.350 ( -7.641 -4.857 -2.221) 9.322 5.029 ( -0.804 -6.403 -3.328) 7.261 5.547 ( 4.535 -2.534 0.448) 5.215 6.015 ( -0.023 -13.188 2.643) 13.450 6.130 ( 3.939 -7.533 2.533) 8.870 6.405 ( 1.953 -1.607 8.962) 9.312 6.646 ( -3.374 0.775 -5.814) 6.767 6.745 ( -3.028 5.770 3.702) 7.494 7.114 ( 6.352 0.814 -1.238) 6.522 7.650 ( 2.390 -4.858 -2.301) 5.883 7.782 ( -2.280 4.362 1.869) 5.265 8.155 ( 0.193 8.953 -0.521) 8.970 8.456 ( 2.750 -8.238 1.399) 8.796 8.633 ( -0.438 -11.969 0.949) 12.015 8.984 ( -6.545 -1.391 -1.240) 6.805 9.494 ( 0.342 -6.080 -2.035) 6.421 9.927 ( 0.421 15.411 -2.414) 15.604 10.930 ( -2.506 -6.493 -0.373) 6.969 11.344 ( 0.859 1.404 2.403) 2.912 11.673 ( 0.979 -11.542 -0.444) 11.592 12.165 ( -6.371 0.079 -7.024) 9.484 13.370 ( -0.367 -0.004 0.440) 0.573 13.559 ( 2.154 4.914 3.044) 6.168 13.868 ( 0.039 -2.962 -2.013) 3.582 14.732 ( 0.809 -8.318 -0.751) 8.391 15.791 ( -0.546 7.460 5.271) 9.150 17.545 ( 0.977 8.069 -1.611) 8.286 17.936 ( 1.039 4.220 0.079) 4.347 ======================= Grid point 33 (25/320) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 14.897 -3.516 6.620) 16.676 2.881 ( 0.454 11.646 0.920) 11.692 3.502 ( 0.021 -0.407 -2.833) 2.862 3.830 ( -21.213 9.262 -7.712) 24.398 4.085 ( 6.258 -7.209 3.113) 10.041 4.390 ( -6.613 -5.335 -2.213) 8.781 5.170 ( 1.943 -6.425 -0.785) 6.758 5.583 ( 2.766 2.629 1.043) 3.956 6.115 ( -0.781 11.190 0.278) 11.221 6.285 ( 1.236 -9.296 1.124) 9.445 6.416 ( 3.512 -3.452 8.836) 10.116 6.629 ( -1.810 -0.698 -6.253) 6.547 6.748 ( 2.190 -4.276 1.031) 4.914 7.007 ( -0.184 10.620 -2.177) 10.843 7.665 ( -1.743 -3.796 -4.194) 5.919 7.795 ( -0.630 -0.915 3.222) 3.408 7.979 ( 1.172 7.583 0.932) 7.730 8.610 ( 6.163 2.330 1.912) 6.860 8.806 ( 1.490 -1.183 -0.078) 1.904 8.969 ( -7.879 -7.263 -1.954) 10.892 9.556 ( 1.356 -0.641 -1.219) 1.933 9.745 ( -1.767 0.392 0.631) 1.917 11.009 ( -1.444 -2.282 -0.247) 2.712 11.346 ( 1.085 -2.311 0.959) 2.727 11.829 ( 6.364 2.449 2.199) 7.165 12.209 ( -7.210 -15.586 -4.145) 17.666 13.361 ( 0.868 2.276 3.918) 4.614 13.468 ( -0.125 5.338 -2.235) 5.788 13.943 ( 0.427 -5.158 1.215) 5.317 14.916 ( 3.815 -9.090 0.816) 9.892 15.656 ( -0.672 6.907 -1.812) 7.172 17.410 ( -2.238 5.485 -0.087) 5.924 17.877 ( 0.199 2.483 0.051) 2.491 ======================= Grid point 34 (26/320) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -2.037 21.772 0.756) 21.880 2.944 ( 21.526 6.743 6.518) 23.480 3.346 ( -18.921 13.601 -5.400) 23.920 3.576 ( -5.126 -1.292 -2.625) 5.902 4.281 ( 5.923 -7.100 2.480) 9.573 4.423 ( -4.897 -3.401 -1.841) 6.240 5.247 ( 0.861 -0.396 0.966) 1.353 5.490 ( 0.192 8.390 -0.420) 8.403 5.823 ( -1.070 14.637 -0.372) 14.680 6.288 ( 4.486 11.891 4.160) 13.372 6.496 ( -2.723 11.342 -5.246) 12.789 6.659 ( 6.484 -9.478 7.232) 13.570 6.807 ( -4.200 3.179 -6.654) 8.486 6.963 ( 0.655 -16.954 -0.178) 16.968 7.732 ( 0.465 8.937 1.471) 9.069 7.778 ( -0.399 -5.731 -0.844) 5.806 7.965 ( -1.211 -7.963 -0.236) 8.058 8.438 ( 0.474 14.971 0.561) 14.989 8.675 ( 1.270 11.942 -0.527) 12.021 9.135 ( -0.982 -9.781 -0.382) 9.838 9.518 ( -0.240 4.391 0.462) 4.422 9.909 ( -0.450 -15.624 0.677) 15.645 10.989 ( -0.259 2.671 -0.049) 2.684 11.441 ( 0.809 -4.859 0.259) 4.933 11.769 ( 2.038 4.302 0.489) 4.785 12.533 ( -0.691 -19.735 0.468) 19.752 13.299 ( 0.251 6.513 6.449) 9.169 13.376 ( -1.023 2.112 -6.519) 6.928 14.071 ( 0.991 -7.180 2.620) 7.707 15.124 ( 6.326 -7.926 5.790) 11.677 15.513 ( -2.622 5.586 -9.348) 11.201 17.309 ( -3.258 3.010 0.967) 4.540 17.848 ( -0.330 0.599 -0.074) 0.688 ======================= Grid point 35 (27/320) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.000 26.510 0.000) 26.510 2.713 ( -0.000 29.117 0.000) 29.117 3.010 ( -0.000 11.910 0.000) 11.910 3.589 ( 0.000 -0.668 -0.000) 0.668 4.423 ( -0.000 0.059 0.000) 0.059 4.445 ( 0.000 -6.498 -0.000) 6.498 5.208 ( -0.000 4.516 0.000) 4.516 5.294 ( -0.000 11.554 0.000) 11.554 5.612 ( -0.000 7.559 0.000) 7.559 6.048 ( -0.000 14.403 0.000) 14.403 6.183 ( -0.000 16.386 0.000) 16.386 6.715 ( -0.000 1.955 0.000) 1.955 6.893 ( 0.000 -7.122 -0.000) 7.122 7.323 ( 0.000 -18.165 -0.000) 18.165 7.442 ( -0.000 20.727 0.000) 20.727 7.873 ( 0.000 -6.630 -0.000) 6.630 8.155 ( -0.000 15.688 0.000) 15.688 8.169 ( 0.000 -9.402 -0.000) 9.402 8.486 ( -0.000 6.992 0.000) 6.992 9.240 ( 0.000 -3.083 -0.000) 3.083 9.462 ( -0.000 0.653 0.000) 0.653 10.222 ( 0.000 -16.589 -0.000) 16.589 10.927 ( -0.000 3.572 0.000) 3.572 11.480 ( -0.000 0.990 0.000) 0.990 11.767 ( 0.000 -2.648 -0.000) 2.648 12.882 ( 0.000 -16.833 -0.000) 16.833 13.183 ( -0.000 6.097 0.000) 6.097 13.335 ( -0.000 1.001 0.000) 1.001 14.223 ( 0.000 -7.626 -0.000) 7.626 15.341 ( 0.000 -8.903 -0.000) 8.903 15.350 ( -0.000 6.701 0.000) 6.701 17.258 ( -0.000 1.066 0.000) 1.066 17.846 ( 0.000 -0.421 -0.000) 0.421 ======================= Grid point 40 (28/320) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 26.955 -0.000 11.621) 29.353 1.879 ( 32.889 -0.000 9.630) 34.270 2.740 ( 47.318 -0.000 8.154) 48.015 3.397 ( -0.853 0.000 2.665) 2.798 4.105 ( -11.866 0.000 0.869) 11.898 4.636 ( -2.560 0.000 -2.462) 3.552 4.928 ( -5.410 0.000 -3.337) 6.356 5.048 ( 0.130 -0.000 -1.624) 1.629 5.098 ( -1.409 0.000 8.154) 8.275 5.306 ( -3.659 0.000 9.643) 10.314 5.435 ( -4.058 0.000 12.784) 13.412 5.887 ( 6.100 -0.000 -13.415) 14.736 6.611 ( -9.212 0.000 -2.446) 9.531 7.159 ( 5.162 -0.000 -0.922) 5.244 7.278 ( -6.430 0.000 5.070) 8.189 7.344 ( -7.837 0.000 -1.468) 7.973 7.631 ( -0.951 0.000 -3.731) 3.850 8.129 ( -12.185 0.000 5.346) 13.306 8.442 ( -3.733 0.000 -11.592) 12.178 9.605 ( 1.930 -0.000 -0.620) 2.027 9.776 ( 6.586 -0.000 0.883) 6.645 10.031 ( -0.695 0.000 -7.117) 7.151 10.895 ( 0.602 -0.000 -0.051) 0.604 11.255 ( 0.000 -0.000 -0.404) 0.404 11.517 ( 1.272 -0.000 -6.016) 6.149 11.707 ( 2.780 -0.000 -9.635) 10.028 13.486 ( -0.759 0.000 3.889) 3.962 13.649 ( 1.104 -0.000 -1.416) 1.795 13.719 ( -0.154 0.000 -3.678) 3.681 14.498 ( -2.669 0.000 3.318) 4.258 16.122 ( -7.018 0.000 30.640) 31.434 17.949 ( 5.151 -0.000 2.634) 5.786 18.751 ( 2.058 -0.000 -22.156) 22.251 ======================= Grid point 41 (29/320) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 25.587 0.704 11.759) 28.169 1.919 ( 32.160 11.197 6.136) 34.602 3.268 ( 28.700 -9.362 4.773) 30.563 3.431 ( 4.422 -5.703 1.678) 7.409 4.016 ( -12.516 -0.778 1.205) 12.597 4.580 ( -1.916 2.767 -3.474) 4.837 4.886 ( -1.401 -1.492 -2.723) 3.407 5.046 ( -2.846 -0.688 4.047) 4.995 5.132 ( -3.646 -2.996 7.735) 9.061 5.389 ( 0.272 -11.208 -2.086) 11.404 5.676 ( -7.372 -20.156 16.521) 27.084 5.899 ( 4.237 -0.891 -9.084) 10.063 6.475 ( -5.899 5.575 -0.182) 8.119 7.208 ( 1.491 -0.842 -1.337) 2.173 7.346 ( -3.392 -8.421 1.167) 9.153 7.487 ( -5.520 -17.260 -2.447) 18.285 7.638 ( -0.645 -5.130 -2.559) 5.769 8.053 ( -10.835 -1.481 3.925) 11.619 8.366 ( -3.366 1.080 -8.780) 9.465 9.551 ( 1.565 6.158 -1.644) 6.563 9.801 ( 0.145 9.105 -0.607) 9.127 10.155 ( -3.222 -19.168 -5.908) 20.315 10.853 ( 1.087 5.300 -0.202) 5.414 11.261 ( -1.413 5.406 -1.259) 5.727 11.360 ( -0.815 1.748 -3.309) 3.830 11.900 ( 3.274 -12.550 -8.573) 15.547 13.456 ( -5.445 0.777 -2.160) 5.909 13.646 ( 3.232 1.554 1.709) 3.973 13.744 ( 1.873 -1.999 -1.771) 3.261 14.491 ( -2.300 -0.526 1.965) 3.071 16.134 ( -4.818 1.510 23.428) 23.966 17.986 ( 5.570 1.364 2.617) 6.303 18.596 ( 2.667 10.890 -16.091) 19.612 ======================= Grid point 42 (30/320) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 25.773 3.420 8.957) 27.499 2.214 ( 22.359 -10.186 2.904) 24.741 3.383 ( 1.996 -0.447 0.841) 2.211 3.674 ( 5.691 -5.846 -3.956) 9.067 3.958 ( -11.828 -2.333 2.750) 12.365 4.490 ( -2.090 4.508 -3.078) 5.845 4.942 ( 2.858 -2.284 -4.759) 6.003 5.147 ( 0.503 -7.847 7.686) 10.996 5.220 ( -1.515 -9.703 5.777) 11.394 5.659 ( 5.543 -15.914 -5.480) 17.720 5.956 ( 0.547 -5.841 -2.987) 6.583 6.082 ( -10.946 -24.075 15.053) 30.430 6.376 ( 2.064 1.883 5.522) 6.189 7.210 ( -0.227 -0.169 -0.587) 0.652 7.405 ( -0.625 2.518 -3.306) 4.203 7.673 ( -5.573 -12.268 -4.291) 14.142 7.903 ( -1.301 -14.243 -0.806) 14.325 8.114 ( -5.331 -13.779 2.519) 14.988 8.326 ( -2.180 -2.214 -6.427) 7.139 9.387 ( -0.319 11.734 -0.653) 11.756 9.550 ( -0.760 14.458 -2.017) 14.618 10.483 ( -7.307 -19.252 -4.812) 21.147 10.724 ( 1.956 8.437 0.370) 8.669 11.062 ( -4.951 7.343 -2.953) 9.336 11.429 ( -0.780 -5.162 -2.226) 5.676 12.098 ( 2.173 -8.046 -6.877) 10.805 13.380 ( -6.622 0.778 -4.802) 8.216 13.657 ( 3.913 1.126 3.932) 5.661 13.792 ( 2.120 -1.492 -1.198) 2.856 14.492 ( -1.771 -1.115 0.442) 2.138 16.111 ( -3.304 3.397 17.182) 17.823 17.990 ( 5.976 3.961 2.066) 7.461 18.357 ( 2.653 12.379 -10.130) 16.214 ======================= Grid point 43 (31/320) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 17.752 -6.563 5.581) 19.732 2.590 ( 16.807 -12.704 0.960) 21.090 3.405 ( 0.291 -1.151 -0.564) 1.314 3.768 ( -4.948 -8.125 -6.091) 11.296 3.924 ( -10.859 -2.879 2.085) 11.426 4.368 ( -3.368 5.095 -2.585) 6.631 4.949 ( -1.988 0.211 -5.268) 5.634 5.294 ( -1.269 -8.780 3.325) 9.474 5.500 ( 3.662 -13.551 5.739) 15.165 5.911 ( 6.282 -5.624 -4.509) 9.562 6.168 ( 0.719 -12.530 4.052) 13.188 6.344 ( -4.634 -12.302 4.264) 13.820 6.616 ( 4.895 -18.285 12.452) 22.658 7.211 ( 5.689 6.291 1.077) 8.550 7.325 ( -3.165 -3.006 -3.606) 5.662 7.795 ( -12.818 -9.773 -4.073) 16.625 8.069 ( 2.367 -4.772 -4.524) 6.989 8.274 ( -2.956 -3.718 1.359) 4.941 8.508 ( 4.107 -14.693 -2.325) 15.432 9.114 ( -4.503 14.837 0.654) 15.520 9.326 ( -0.506 5.788 -2.174) 6.204 10.496 ( 0.977 11.037 -2.814) 11.432 10.771 ( -1.898 -6.299 2.412) 7.007 10.983 ( -7.682 -9.399 -4.353) 12.896 11.483 ( -1.309 -1.983 -2.921) 3.766 12.191 ( 0.785 -2.287 -4.720) 5.303 13.320 ( -5.438 -1.077 -4.190) 6.949 13.681 ( 4.268 1.244 4.750) 6.506 13.817 ( 0.941 -0.347 -1.742) 2.010 14.515 ( -0.991 -2.802 -0.481) 3.010 16.046 ( -2.079 5.390 11.460) 12.834 17.921 ( 5.835 9.250 0.007) 10.936 18.151 ( 0.658 8.275 -4.337) 9.366 ======================= Grid point 44 (32/320) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 11.574 -9.911 3.450) 15.623 2.919 ( 10.395 -9.402 1.595) 14.106 3.432 ( -0.785 -2.235 -2.182) 3.221 3.875 ( -7.889 -8.177 -4.663) 12.282 3.918 ( -5.806 -3.544 0.960) 6.869 4.256 ( -4.934 2.096 -2.122) 5.766 4.923 ( -2.084 -2.205 -3.214) 4.420 5.465 ( 1.667 -8.076 -0.196) 8.249 5.771 ( -1.374 -12.706 3.648) 13.291 6.056 ( 8.314 -6.367 -0.642) 10.492 6.346 ( 0.243 -6.976 8.000) 10.618 6.508 ( -7.872 -7.399 -2.301) 11.045 6.926 ( 2.477 5.248 9.890) 11.467 7.115 ( 9.176 -3.492 -6.021) 11.517 7.507 ( 3.330 -11.155 3.305) 12.102 7.855 ( -8.227 -5.245 -3.455) 10.350 8.069 ( -3.397 -0.762 -3.695) 5.077 8.370 ( 0.592 -8.447 1.992) 8.699 8.638 ( 5.729 10.067 -1.349) 11.661 8.892 ( -7.193 -1.846 0.931) 7.484 9.346 ( -0.120 -7.141 -2.101) 7.445 10.238 ( 1.024 16.276 -1.927) 16.422 10.811 ( -2.162 -3.372 0.480) 4.034 11.244 ( -1.488 -17.800 1.564) 17.931 11.475 ( -2.571 -0.826 -4.268) 5.050 12.174 ( -0.710 2.840 -3.138) 4.292 13.320 ( -2.824 -3.019 -2.185) 4.676 13.681 ( 3.322 3.969 4.434) 6.816 13.823 ( -0.009 -1.202 -2.315) 2.609 14.591 ( -0.090 -6.184 -0.627) 6.217 15.940 ( -0.951 7.055 6.140) 9.401 17.745 ( 2.744 11.844 -1.343) 12.232 18.032 ( 0.470 5.106 -0.617) 5.164 ======================= Grid point 45 (33/320) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 8.039 -11.402 2.685) 14.207 3.046 ( 2.854 3.018 1.929) 4.580 3.461 ( -0.536 -2.415 -2.553) 3.555 3.834 ( -10.112 4.541 -3.790) 11.715 4.005 ( 3.024 -6.573 1.630) 7.417 4.228 ( -5.353 -4.184 -1.739) 7.013 5.024 ( 0.721 -9.027 -0.984) 9.109 5.592 ( 1.362 -3.537 -0.082) 3.791 5.986 ( -2.191 -12.658 0.756) 12.869 6.255 ( 6.789 -5.256 1.646) 8.742 6.463 ( -0.568 -0.929 8.275) 8.347 6.539 ( -4.117 -3.477 -7.033) 8.860 6.740 ( -0.272 6.125 1.399) 6.288 7.188 ( 3.058 5.498 -0.808) 6.343 7.693 ( 4.228 -0.931 -1.945) 4.746 7.746 ( -3.603 3.476 1.997) 5.390 8.145 ( -0.621 2.154 -0.245) 2.255 8.509 ( 2.523 -8.908 0.806) 9.293 8.620 ( -1.256 -12.858 0.008) 12.919 8.897 ( -3.106 0.980 -0.536) 3.301 9.491 ( 0.180 -6.925 -0.785) 6.972 9.921 ( 0.087 16.290 -0.917) 16.316 10.899 ( -1.090 -6.701 -0.174) 6.791 11.374 ( 0.922 2.895 1.542) 3.407 11.679 ( 0.210 -21.726 -0.709) 21.739 12.068 ( -2.485 5.958 -2.473) 6.912 13.360 ( -0.488 -2.355 -0.258) 2.419 13.600 ( 1.017 6.983 1.578) 7.231 13.862 ( 0.072 -3.401 -0.645) 3.463 14.744 ( 0.687 -9.880 -0.285) 9.908 15.803 ( -0.240 8.198 1.726) 8.381 17.547 ( 0.169 9.864 -0.577) 9.882 17.946 ( 0.307 4.339 0.019) 4.349 ======================= Grid point 46 (34/320) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.000 15.102 0.000) 15.102 2.971 ( 0.000 -9.964 -0.000) 9.964 3.509 ( 0.000 -2.794 -0.000) 2.794 3.576 ( -0.000 16.174 0.000) 16.174 4.170 ( 0.000 -7.946 -0.000) 7.946 4.304 ( 0.000 -6.017 -0.000) 6.017 5.188 ( 0.000 -6.529 -0.000) 6.529 5.602 ( -0.000 2.992 0.000) 2.992 6.106 ( -0.000 12.022 0.000) 12.022 6.301 ( 0.000 -11.408 -0.000) 11.408 6.527 ( 0.000 -1.750 -0.000) 1.750 6.541 ( 0.000 -3.456 -0.000) 3.456 6.772 ( 0.000 -4.822 -0.000) 4.822 7.000 ( -0.000 13.902 0.000) 13.902 7.638 ( 0.000 -3.267 -0.000) 3.267 7.798 ( 0.000 -1.187 -0.000) 1.187 7.992 ( -0.000 8.044 0.000) 8.044 8.688 ( -0.000 8.332 0.000) 8.332 8.843 ( -0.000 2.867 0.000) 2.867 8.852 ( 0.000 -18.639 -0.000) 18.639 9.564 ( 0.000 -0.462 -0.000) 0.462 9.732 ( -0.000 0.251 0.000) 0.251 10.996 ( 0.000 -2.705 -0.000) 2.705 11.358 ( 0.000 -2.218 -0.000) 2.218 11.907 ( -0.000 8.147 0.000) 8.147 12.119 ( 0.000 -23.126 -0.000) 23.126 13.379 ( -0.000 0.222 0.000) 0.222 13.460 ( -0.000 8.113 0.000) 8.113 13.950 ( 0.000 -5.984 -0.000) 5.984 14.952 ( 0.000 -11.438 -0.000) 11.438 15.645 ( -0.000 8.640 0.000) 8.640 17.390 ( -0.000 6.610 0.000) 6.610 17.879 ( -0.000 2.782 0.000) 2.782 ======================= Grid point 53 (35/320) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 24.161 -0.000 8.882) 25.742 2.394 ( 27.007 -0.000 7.853) 28.126 3.393 ( 2.177 -0.000 2.548) 3.351 3.430 ( 32.571 -0.000 3.870) 32.800 3.909 ( -13.391 0.000 1.459) 13.470 4.588 ( -1.831 0.000 -2.125) 2.805 4.811 ( -6.888 0.000 -3.879) 7.906 5.043 ( 0.239 -0.000 -1.800) 1.815 5.113 ( -1.931 0.000 7.355) 7.605 5.307 ( -1.788 0.000 7.094) 7.316 5.436 ( -4.635 0.000 11.900) 12.771 5.907 ( 4.857 -0.000 -10.919) 11.951 6.500 ( -3.167 0.000 0.386) 3.190 7.106 ( -7.977 0.000 -0.802) 8.017 7.190 ( -11.249 0.000 0.952) 11.289 7.330 ( 7.153 -0.000 0.946) 7.215 7.615 ( 1.642 -0.000 -4.617) 4.900 7.953 ( -12.743 0.000 1.804) 12.870 8.321 ( -4.792 0.000 -7.651) 9.028 9.617 ( 0.429 -0.000 -1.412) 1.476 9.876 ( 5.489 -0.000 0.857) 5.556 10.000 ( 0.576 -0.000 -4.380) 4.418 10.909 ( 1.143 -0.000 0.005) 1.143 11.247 ( -0.724 0.000 -0.364) 0.810 11.490 ( -1.980 0.000 -1.263) 2.349 11.727 ( 5.062 -0.000 -6.940) 8.589 13.408 ( -6.431 0.000 -4.963) 8.123 13.695 ( 2.599 -0.000 2.027) 3.296 13.736 ( 2.979 -0.000 0.471) 3.016 14.476 ( -1.638 0.000 1.283) 2.081 16.171 ( -3.371 0.000 18.055) 18.367 18.049 ( 5.673 -0.000 3.010) 6.422 18.658 ( -1.439 0.000 -14.494) 14.565 ======================= Grid point 54 (36/320) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 20.898 -2.358 7.697) 22.395 2.411 ( 25.702 14.762 5.787) 30.199 3.397 ( 0.190 0.084 1.462) 1.477 3.675 ( 9.316 -0.136 -2.889) 9.755 3.842 ( -8.298 -1.112 3.420) 9.044 4.543 ( -1.114 2.890 -2.013) 3.694 4.873 ( 1.746 -9.736 -1.230) 9.968 5.038 ( 0.384 -2.774 0.180) 2.807 5.112 ( -3.861 -0.963 6.947) 8.006 5.405 ( 2.754 -10.472 -1.886) 10.991 5.629 ( -8.045 -18.013 12.035) 23.109 5.922 ( 3.472 -1.005 -5.753) 6.794 6.457 ( 2.848 2.851 4.071) 5.728 7.114 ( -11.440 -3.375 -1.537) 12.026 7.276 ( -4.784 -16.702 -3.130) 17.653 7.483 ( 4.530 -7.273 1.298) 8.666 7.630 ( 1.060 -4.936 -2.433) 5.604 7.895 ( -10.246 -4.544 -0.123) 11.209 8.268 ( -3.872 -0.253 -5.118) 6.422 9.558 ( 0.471 6.069 -1.595) 6.292 9.814 ( 1.595 12.227 -0.081) 12.331 10.104 ( -0.788 -13.173 -3.363) 13.618 10.874 ( 1.616 4.870 -0.047) 5.131 11.224 ( -2.547 9.220 -0.397) 9.574 11.340 ( -0.242 -0.053 -1.580) 1.600 11.922 ( 3.542 -11.603 -4.195) 12.837 13.334 ( -6.067 0.997 -5.316) 8.128 13.706 ( 2.147 0.602 2.200) 3.132 13.781 ( 2.711 -1.364 0.997) 3.194 14.471 ( -1.077 -0.341 0.342) 1.180 16.175 ( -2.332 1.632 12.998) 13.306 18.089 ( 5.520 1.361 3.057) 6.454 18.531 ( -1.408 7.876 -10.672) 13.339 ======================= Grid point 55 (37/320) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 19.782 7.443 8.310) 22.710 2.527 ( 15.514 -7.086 0.054) 17.056 3.400 ( 0.217 0.102 0.257) 0.351 3.648 ( -2.747 0.440 -5.204) 5.902 3.786 ( -11.881 -1.798 2.028) 12.186 4.448 ( -1.553 5.465 -1.505) 5.878 4.946 ( 0.700 0.910 -3.621) 3.799 5.151 ( -2.342 -5.760 4.834) 7.876 5.289 ( 3.725 -13.627 3.693) 14.601 5.734 ( 6.602 -19.690 -4.269) 21.201 5.942 ( -1.126 -13.609 -2.523) 13.887 6.004 ( -5.993 -11.979 9.410) 16.369 6.530 ( 11.952 -4.365 9.299) 15.760 7.110 ( -10.950 -7.328 -3.658) 13.674 7.419 ( 2.618 4.300 -1.443) 5.237 7.536 ( -7.208 -6.131 -3.445) 10.070 7.892 ( 0.296 -14.040 -0.853) 14.069 8.062 ( -2.685 -18.851 1.255) 19.083 8.267 ( -1.650 -5.083 -3.599) 6.443 9.379 ( -0.247 13.240 -0.591) 13.255 9.538 ( 0.119 15.608 -0.864) 15.632 10.379 ( -3.437 -17.542 -2.870) 18.105 10.764 ( 2.620 7.626 0.432) 8.075 10.981 ( -4.011 9.949 -1.292) 10.805 11.413 ( -0.249 -4.416 -1.172) 4.576 12.113 ( 2.270 -6.831 -2.471) 7.611 13.262 ( -4.672 0.485 -4.014) 6.178 13.726 ( 2.278 -0.166 2.789) 3.605 13.817 ( 1.346 -0.385 -0.086) 1.402 14.476 ( -0.496 -0.996 -0.281) 1.148 16.140 ( -1.562 3.518 8.254) 9.108 18.094 ( 5.373 3.814 3.082) 7.274 18.315 ( -1.644 10.832 -7.075) 13.042 ======================= Grid point 56 (38/320) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 9.535 -1.477 3.314) 10.202 2.792 ( 7.431 -11.058 -0.003) 13.323 3.399 ( -0.471 -0.380 -0.543) 0.813 3.666 ( -3.116 -6.358 -3.215) 7.776 3.781 ( -6.876 -5.286 1.245) 8.762 4.319 ( -1.347 6.359 -1.029) 6.581 4.902 ( -1.134 1.734 -1.889) 2.804 5.303 ( 0.413 -9.575 0.842) 9.621 5.541 ( -0.264 -11.960 2.338) 12.189 5.998 ( 6.484 -6.027 -3.701) 9.595 6.185 ( -0.116 -12.741 2.504) 12.985 6.253 ( -7.254 -13.656 3.203) 15.791 6.869 ( 15.230 -14.934 8.756) 23.057 7.205 ( -6.650 -2.201 -6.559) 9.596 7.318 ( 3.582 -3.863 2.966) 6.046 7.562 ( -11.038 -5.560 -3.353) 12.806 8.084 ( 1.495 -4.378 -2.429) 5.226 8.244 ( -1.472 -5.397 1.024) 5.687 8.549 ( 1.796 -18.792 -0.781) 18.894 9.066 ( -1.776 18.641 0.306) 18.728 9.313 ( -0.152 5.957 -0.788) 6.011 10.493 ( 0.231 8.351 -1.306) 8.455 10.782 ( 1.464 -2.487 2.659) 3.924 10.865 ( -4.725 -11.692 -3.147) 12.997 11.460 ( -0.377 -0.997 -1.053) 1.498 12.193 ( 0.795 -0.994 -1.117) 1.694 13.239 ( -2.309 -2.051 -1.912) 3.632 13.759 ( 2.643 -0.037 3.638) 4.497 13.809 ( -0.703 1.080 -2.170) 2.524 14.506 ( -0.102 -2.842 -0.322) 2.862 16.064 ( -0.727 5.402 3.768) 6.626 18.001 ( 3.576 12.275 0.869) 12.815 18.120 ( -1.584 5.165 -2.330) 5.884 ======================= Grid point 57 (39/320) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.000 -9.020 -0.000) 9.020 3.014 ( 0.000 -7.997 -0.000) 7.997 3.413 ( 0.000 -1.662 -0.000) 1.662 3.778 ( 0.000 -5.747 -0.000) 5.747 3.879 ( 0.000 -7.236 -0.000) 7.236 4.209 ( -0.000 3.821 0.000) 3.821 4.899 ( 0.000 -3.238 -0.000) 3.238 5.481 ( 0.000 -8.411 -0.000) 8.411 5.758 ( 0.000 -11.378 -0.000) 11.378 6.151 ( 0.000 -8.002 -0.000) 8.002 6.387 ( 0.000 -8.592 -0.000) 8.592 6.390 ( 0.000 -5.883 -0.000) 5.883 6.975 ( -0.000 14.521 0.000) 14.521 7.196 ( 0.000 -7.808 -0.000) 7.808 7.579 ( 0.000 -6.052 -0.000) 6.052 7.721 ( 0.000 -21.165 -0.000) 21.165 8.036 ( -0.000 5.407 0.000) 5.407 8.381 ( 0.000 -10.220 -0.000) 10.220 8.693 ( -0.000 18.608 0.000) 18.608 8.824 ( 0.000 -8.734 -0.000) 8.734 9.340 ( 0.000 -7.270 -0.000) 7.270 10.241 ( -0.000 16.500 0.000) 16.500 10.795 ( 0.000 -3.090 -0.000) 3.090 11.239 ( 0.000 -23.160 -0.000) 23.160 11.440 ( -0.000 2.469 0.000) 2.469 12.163 ( -0.000 3.996 0.000) 3.996 13.289 ( 0.000 -4.062 -0.000) 4.062 13.724 ( -0.000 5.284 0.000) 5.284 13.813 ( 0.000 -2.064 -0.000) 2.064 14.590 ( 0.000 -6.441 -0.000) 6.441 15.949 ( -0.000 7.086 0.000) 7.086 17.764 ( -0.000 12.949 0.000) 12.949 18.032 ( -0.000 4.517 0.000) 4.517 ======================= Grid point 67 (40/320) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 17.185 -0.000 5.248) 17.968 2.773 ( 16.427 -0.000 4.793) 17.112 3.395 ( -0.472 0.000 1.336) 1.417 3.664 ( -8.986 0.000 -1.670) 9.140 3.922 ( 16.591 -0.000 3.737) 17.007 4.560 ( -0.655 0.000 -1.264) 1.424 4.689 ( -5.730 0.000 -2.984) 6.460 5.035 ( -0.054 0.000 -1.328) 1.329 5.118 ( -1.354 0.000 4.656) 4.849 5.327 ( 0.955 -0.000 2.726) 2.889 5.410 ( -5.066 0.000 7.318) 8.900 5.923 ( 2.836 -0.000 -5.949) 6.591 6.537 ( 6.266 -0.000 4.305) 7.602 6.966 ( -12.200 0.000 -1.765) 12.327 7.017 ( -6.902 0.000 -1.137) 6.995 7.449 ( 6.562 -0.000 2.090) 6.887 7.628 ( 2.432 -0.000 -3.293) 4.093 7.767 ( -10.555 0.000 -1.926) 10.730 8.226 ( -3.569 0.000 -2.871) 4.580 9.610 ( -0.215 0.000 -1.102) 1.123 9.950 ( 3.354 -0.000 0.594) 3.406 9.995 ( 0.548 -0.000 -2.009) 2.082 10.928 ( 1.139 -0.000 0.042) 1.140 11.230 ( -1.053 0.000 -0.249) 1.082 11.455 ( -1.596 0.000 -0.341) 1.632 11.774 ( 3.840 -0.000 -2.973) 4.856 13.290 ( -4.571 0.000 -4.302) 6.277 13.724 ( 0.869 -0.000 0.341) 0.933 13.794 ( 2.452 -0.000 2.276) 3.345 14.461 ( -0.663 0.000 0.063) 0.666 16.205 ( -1.382 0.000 8.541) 8.652 18.148 ( 4.647 -0.000 2.835) 5.443 18.562 ( -2.671 0.000 -8.273) 8.693 ======================= Grid point 68 (41/320) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 9.846 -2.672 3.078) 10.656 2.728 ( 10.595 13.343 2.496) 17.219 3.402 ( -0.035 -0.284 0.514) 0.588 3.614 ( -5.421 -1.900 -1.124) 5.854 3.827 ( -0.410 13.545 -0.144) 13.552 4.522 ( -0.577 3.297 -0.602) 3.401 4.908 ( 1.977 -12.791 -0.561) 12.955 5.056 ( 2.016 -7.497 -1.277) 7.867 5.091 ( -2.481 -0.477 4.002) 4.732 5.441 ( 2.466 -10.505 -1.587) 10.907 5.572 ( -4.304 -16.897 4.955) 18.126 5.940 ( 1.283 -1.347 -1.893) 2.654 6.600 ( 10.683 -0.343 6.368) 12.442 6.883 ( -14.205 -3.603 -4.928) 15.462 7.211 ( -1.905 -18.227 -0.940) 18.350 7.561 ( 3.167 -0.235 1.041) 3.342 7.647 ( 2.130 -7.076 0.224) 7.393 7.754 ( -6.245 -8.168 -2.497) 10.581 8.205 ( -1.767 -0.851 -1.370) 2.392 9.554 ( -0.023 5.828 -0.674) 5.867 9.837 ( 0.977 13.820 0.113) 13.855 10.085 ( -0.224 -10.457 -1.131) 10.521 10.895 ( 0.910 4.246 0.011) 4.342 11.190 ( -1.368 10.858 -0.076) 10.945 11.333 ( -0.038 -0.710 -0.507) 0.874 11.952 ( 1.639 -11.148 -1.153) 11.326 13.242 ( -2.521 1.049 -2.333) 3.591 13.733 ( 0.598 -0.385 0.516) 0.878 13.820 ( 1.147 -0.536 0.960) 1.589 14.461 ( -0.266 -0.357 -0.112) 0.459 16.197 ( -0.705 1.766 4.202) 4.612 18.175 ( 3.032 1.063 2.054) 3.814 18.459 ( -1.770 7.004 -4.535) 8.530 ======================= Grid point 69 (42/320) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -0.000 9.718 0.000) 9.718 2.647 ( 0.000 -7.128 -0.000) 7.128 3.400 ( -0.000 0.411 0.000) 0.411 3.625 ( -0.000 4.426 0.000) 4.426 3.657 ( 0.000 -4.449 -0.000) 4.449 4.431 ( -0.000 5.816 0.000) 5.816 4.939 ( -0.000 2.255 0.000) 2.255 5.147 ( 0.000 -6.554 -0.000) 6.554 5.327 ( 0.000 -12.124 -0.000) 12.124 5.785 ( 0.000 -21.531 -0.000) 21.531 5.914 ( 0.000 -19.327 -0.000) 19.327 5.989 ( 0.000 -4.375 -0.000) 4.375 6.756 ( 0.000 -7.475 -0.000) 7.475 6.909 ( 0.000 -10.082 -0.000) 10.082 7.437 ( 0.000 -6.358 -0.000) 6.358 7.468 ( -0.000 8.114 0.000) 8.114 7.894 ( 0.000 -13.887 -0.000) 13.887 8.044 ( 0.000 -20.722 -0.000) 20.722 8.244 ( 0.000 -6.474 -0.000) 6.474 9.375 ( -0.000 13.585 0.000) 13.585 9.538 ( -0.000 16.298 0.000) 16.298 10.345 ( 0.000 -16.683 -0.000) 16.683 10.792 ( -0.000 6.615 0.000) 6.615 10.940 ( -0.000 11.421 0.000) 11.421 11.408 ( 0.000 -4.194 -0.000) 4.194 12.126 ( 0.000 -6.514 -0.000) 6.514 13.212 ( -0.000 0.386 0.000) 0.386 13.751 ( 0.000 -1.143 -0.000) 1.143 13.828 ( -0.000 0.490 0.000) 0.490 14.472 ( 0.000 -1.025 -0.000) 1.025 16.150 ( -0.000 3.595 0.000) 3.595 18.162 ( -0.000 2.155 0.000) 2.155 18.264 ( -0.000 11.961 0.000) 11.961 ======================= Grid point 82 (43/320) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.000 -0.000 0.000) 0.000 2.919 ( 0.000 -0.000 0.000) 0.000 3.395 ( 0.000 -0.000 0.000) 0.000 3.565 ( -0.000 0.000 0.000) 0.000 4.071 ( 0.000 -0.000 0.000) 0.000 4.552 ( 0.000 -0.000 -0.000) 0.000 4.632 ( 0.000 -0.000 0.000) 0.000 5.031 ( 0.000 -0.000 -0.000) 0.000 5.120 ( 0.000 -0.000 0.000) 0.000 5.363 ( 0.000 -0.000 -0.000) 0.000 5.366 ( -0.000 0.000 0.000) 0.000 5.930 ( 0.000 -0.000 0.000) 0.000 6.688 ( -0.000 0.000 -0.000) 0.000 6.768 ( 0.000 -0.000 0.000) 0.000 6.968 ( 0.000 -0.000 0.000) 0.000 7.531 ( -0.000 0.000 -0.000) 0.000 7.642 ( 0.000 -0.000 0.000) 0.000 7.649 ( 0.000 -0.000 0.000) 0.000 8.189 ( 0.000 -0.000 0.000) 0.000 9.605 ( 0.000 -0.000 0.000) 0.000 9.986 ( -0.000 0.000 -0.000) 0.000 9.986 ( 0.000 -0.000 0.000) 0.000 10.938 ( 0.000 -0.000 0.000) 0.000 11.220 ( 0.000 -0.000 0.000) 0.000 11.442 ( 0.000 -0.000 0.000) 0.000 11.799 ( 0.000 -0.000 0.000) 0.000 13.241 ( 0.000 -0.000 0.000) 0.000 13.732 ( 0.000 -0.000 0.000) 0.000 13.821 ( 0.000 -0.000 0.000) 0.000 14.456 ( 0.000 -0.000 0.000) 0.000 16.217 ( 0.000 -0.000 0.000) 0.000 18.199 ( 0.000 -0.000 -0.000) 0.000 18.513 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 151 (44/320) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 7.444 -0.000 26.241) 27.276 0.642 ( 5.945 -0.000 30.926) 31.492 1.184 ( -5.264 0.000 55.466) 55.715 3.384 ( 1.865 -0.000 -0.759) 2.014 4.694 ( -0.873 0.000 -7.108) 7.161 4.863 ( 2.021 -0.000 -5.567) 5.923 4.966 ( -14.060 0.000 4.281) 14.697 5.062 ( 2.200 -0.000 -4.957) 5.424 5.141 ( 2.423 -0.000 0.478) 2.469 5.396 ( -3.489 0.000 5.276) 6.325 5.475 ( 5.513 -0.000 8.077) 9.779 5.957 ( -10.968 0.000 8.934) 14.146 6.781 ( -2.288 0.000 -1.555) 2.766 7.180 ( 0.154 -0.000 -2.748) 2.752 7.281 ( 22.827 -0.000 0.110) 22.827 7.620 ( 1.722 -0.000 -4.955) 5.246 7.655 ( 1.868 -0.000 -4.732) 5.087 8.201 ( -7.407 0.000 -1.625) 7.583 8.591 ( -4.377 0.000 12.626) 13.363 9.503 ( 0.679 -0.000 0.652) 0.941 9.629 ( 1.505 -0.000 -0.690) 1.656 9.910 ( -3.009 0.000 -10.574) 10.994 10.897 ( 0.041 -0.000 0.681) 0.682 11.201 ( -10.503 0.000 -0.760) 10.530 11.347 ( -20.810 0.000 -2.401) 20.948 11.739 ( -0.315 0.000 -0.277) 0.420 13.297 ( 5.746 -0.000 0.846) 5.808 13.617 ( 0.161 -0.000 -0.245) 0.294 13.911 ( 2.793 -0.000 -4.432) 5.238 14.678 ( -1.639 0.000 11.072) 11.193 16.340 ( 101.063 -0.000 -2.320) 101.090 17.793 ( -0.187 0.000 0.285) 0.341 18.518 ( -67.370 0.000 0.161) 67.370 ======================= Grid point 152 (45/320) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -3.017 -22.728 13.894) 26.809 1.149 ( 9.931 -19.537 29.553) 36.792 1.579 ( 21.875 -25.066 34.585) 47.989 3.413 ( 1.108 -1.880 -1.817) 2.839 4.553 ( -8.146 6.358 11.407) 15.391 4.657 ( -0.793 1.391 -7.661) 7.826 4.821 ( 0.388 3.393 -2.607) 4.297 5.166 ( 1.811 -5.036 6.744) 8.609 5.365 ( 3.633 -0.058 2.160) 4.227 5.522 ( 2.234 -4.469 -1.186) 5.135 5.758 ( -11.281 -21.944 -5.410) 25.260 6.059 ( -6.221 -11.312 8.506) 15.460 6.803 ( -6.468 -6.637 -2.374) 9.567 7.063 ( 0.134 8.504 -1.867) 8.708 7.372 ( 8.609 -5.357 0.824) 10.173 7.576 ( 2.100 -0.863 -5.611) 6.053 7.725 ( 0.266 -2.892 -4.051) 4.984 8.225 ( 0.965 -3.977 -3.585) 5.440 8.557 ( -5.610 1.767 11.630) 13.033 9.515 ( -1.094 2.247 -1.234) 2.787 9.783 ( 1.225 10.129 -9.714) 14.088 10.737 ( -7.095 -39.054 -32.750) 51.460 10.916 ( 2.220 -19.403 -14.897) 24.563 11.066 ( -11.086 2.562 1.458) 11.471 11.411 ( -11.168 -19.495 -10.732) 24.899 11.763 ( 0.972 -2.883 -1.874) 3.574 13.355 ( 5.468 -0.343 2.986) 6.240 13.599 ( 0.902 2.135 0.217) 2.328 13.921 ( -9.069 -5.014 -12.787) 16.459 14.704 ( -2.444 -1.423 8.482) 8.941 16.900 ( 76.412 12.214 -18.866) 79.649 17.627 ( -46.517 19.008 29.873) 58.459 17.871 ( -6.466 3.544 7.239) 10.333 ======================= Grid point 153 (46/320) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -6.703 -31.370 4.014) 32.328 1.604 ( 2.172 -18.806 31.560) 36.803 2.430 ( 30.120 -31.049 11.043) 44.645 3.455 ( 0.304 -2.845 -3.168) 4.268 4.487 ( -8.117 -1.125 10.967) 13.690 4.591 ( -2.218 2.666 -4.378) 5.585 4.781 ( 0.946 -0.374 -6.295) 6.376 5.259 ( -0.681 -1.908 9.283) 9.502 5.405 ( -0.976 -5.250 2.646) 5.959 5.612 ( -0.576 -4.572 1.456) 4.833 6.041 ( -3.509 -14.620 -5.620) 16.051 6.285 ( 1.875 -12.572 12.147) 17.582 6.864 ( -11.141 -5.823 -0.625) 12.586 6.967 ( 1.059 -0.612 -1.952) 2.303 7.571 ( 1.097 -7.285 -3.700) 8.244 7.639 ( -0.815 -5.231 -3.541) 6.369 7.776 ( 5.826 -5.511 -4.129) 9.020 8.284 ( 1.127 -1.324 -3.418) 3.835 8.510 ( -5.145 1.338 9.008) 10.460 9.451 ( -1.953 2.864 -0.642) 3.526 9.530 ( 0.516 13.717 -8.083) 15.929 10.693 ( -1.326 8.868 -1.593) 9.107 10.953 ( -1.325 3.697 2.941) 4.907 11.252 ( -5.103 -10.214 -9.970) 15.158 11.648 ( -15.807 -11.571 -13.576) 23.834 11.968 ( -1.102 -21.430 -23.660) 31.942 13.391 ( 5.486 2.551 4.330) 7.439 13.568 ( 1.769 1.837 1.436) 2.927 13.885 ( -11.563 -3.836 -13.755) 18.375 14.728 ( -4.808 -2.241 4.452) 6.925 16.883 ( 13.069 26.513 21.811) 36.734 17.275 ( 1.415 0.329 0.368) 1.498 17.888 ( 3.967 -0.408 0.709) 4.051 ======================= Grid point 154 (47/320) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -6.486 -27.536 1.265) 28.318 2.075 ( 2.286 -21.307 25.220) 33.095 3.124 ( 19.296 -18.288 1.771) 26.645 3.535 ( 4.378 -6.761 -3.424) 8.752 4.440 ( -8.365 3.844 7.823) 12.081 4.556 ( -4.138 -2.356 4.939) 6.860 4.834 ( 2.340 -6.396 -9.670) 11.828 5.330 ( 0.065 -4.724 5.366) 7.149 5.540 ( -2.240 -8.689 4.019) 9.832 5.719 ( 0.310 -6.553 5.022) 8.262 6.234 ( -1.296 -9.812 0.013) 9.897 6.493 ( -4.011 -7.916 -2.996) 9.366 6.844 ( 6.660 4.668 -1.641) 8.297 7.164 ( -10.833 -20.987 10.201) 25.726 7.486 ( -5.112 6.022 -2.457) 8.273 7.833 ( 2.514 -8.663 -5.753) 10.698 7.953 ( 5.231 -6.427 -1.972) 8.518 8.291 ( 5.440 0.308 -4.315) 6.950 8.477 ( -4.270 0.054 5.712) 7.132 9.288 ( 0.257 9.274 -4.203) 10.185 9.379 ( -4.203 2.268 -1.581) 5.031 10.469 ( -0.980 13.383 -1.562) 13.509 10.926 ( -1.169 -0.784 3.158) 3.457 11.331 ( -4.100 -5.238 -3.404) 7.472 11.646 ( -8.001 -2.935 -7.530) 11.373 12.213 ( -6.121 -13.432 -21.112) 25.760 13.368 ( 5.691 4.950 3.584) 8.351 13.573 ( 1.947 0.421 3.246) 3.808 13.830 ( -9.009 -2.891 -10.858) 14.402 14.736 ( -6.485 -2.609 1.370) 7.123 16.540 ( -4.126 18.914 26.279) 32.639 17.327 ( 13.768 1.773 -6.807) 15.460 17.918 ( 4.179 0.992 0.620) 4.339 ======================= Grid point 155 (48/320) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -5.904 -18.496 0.040) 19.416 2.547 ( 3.154 -19.849 21.615) 29.515 3.391 ( 2.166 -5.750 -2.143) 6.507 3.823 ( 13.423 -14.559 -1.367) 19.850 4.290 ( -8.146 6.881 7.289) 12.916 4.578 ( -5.770 -1.939 6.842) 9.158 4.978 ( 2.018 -8.715 -10.442) 13.750 5.430 ( 0.303 -1.612 2.250) 2.784 5.672 ( -3.969 -9.014 2.596) 10.186 5.936 ( 4.197 -12.753 5.305) 14.436 6.361 ( -2.540 -3.928 2.941) 5.525 6.604 ( -1.705 -9.035 -6.986) 11.548 6.808 ( 4.884 2.471 -2.624) 6.070 7.187 ( -6.568 10.307 -1.132) 12.274 7.605 ( -3.902 -13.381 12.215) 18.533 7.839 ( -0.552 0.949 -3.679) 3.840 8.147 ( 5.620 -8.763 -2.217) 10.643 8.261 ( 2.606 6.700 -2.291) 7.545 8.548 ( -0.535 -8.131 3.925) 9.044 9.185 ( -1.570 1.948 -0.531) 2.558 9.317 ( -2.494 -1.501 -6.042) 6.707 10.181 ( -0.172 16.128 -1.729) 16.221 10.963 ( -2.153 -3.122 3.259) 5.000 11.383 ( -2.908 -3.474 -0.529) 4.562 11.623 ( -4.143 -2.137 -4.396) 6.408 12.283 ( -6.296 -5.247 -14.615) 16.756 13.332 ( 5.436 4.282 2.200) 7.262 13.580 ( 0.784 1.022 3.418) 3.653 13.816 ( -4.423 -3.784 -5.982) 8.347 14.738 ( -6.435 -2.971 -0.506) 7.106 16.249 ( -4.221 15.570 19.935) 25.644 17.375 ( 9.785 1.166 -4.804) 10.963 17.917 ( 3.070 2.233 0.869) 3.894 ======================= Grid point 156 (49/320) ======================= q-point: ( 0.42 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -2.416 -8.586 1.260) 9.008 2.946 ( 2.265 -13.661 20.216) 24.504 3.479 ( -1.671 -4.167 -1.220) 4.653 4.081 ( -3.299 3.642 6.163) 7.882 4.210 ( 4.499 -9.548 1.220) 10.625 4.580 ( -5.056 -1.230 5.596) 7.642 5.097 ( -4.195 -7.114 -10.968) 13.730 5.374 ( 1.322 5.025 1.033) 5.298 5.899 ( 2.469 -13.727 -0.699) 13.965 6.193 ( -0.009 -9.548 3.103) 10.039 6.362 ( 5.360 4.440 2.370) 7.353 6.700 ( -1.209 -2.575 -4.223) 5.092 6.776 ( -3.766 6.298 -4.425) 8.569 7.000 ( 0.933 1.969 1.433) 2.608 7.625 ( 0.529 2.061 -3.851) 4.400 7.946 ( -5.537 -4.827 10.720) 12.996 8.082 ( 4.062 9.289 0.759) 10.167 8.370 ( 1.743 -9.013 -3.869) 9.962 8.722 ( -1.539 -8.884 6.263) 10.978 9.120 ( -2.415 2.191 -2.490) 4.103 9.399 ( 1.451 -6.971 -7.238) 10.153 9.890 ( 0.269 12.870 -0.387) 12.879 11.016 ( -1.672 -3.363 2.235) 4.371 11.383 ( -2.005 1.560 0.869) 2.685 11.662 ( -0.953 -4.166 -0.047) 4.274 12.277 ( -5.113 -3.593 -9.224) 11.142 13.301 ( 4.086 3.224 -0.805) 5.266 13.566 ( 0.524 2.186 4.189) 4.754 13.872 ( -1.477 -5.518 -0.511) 5.735 14.748 ( -4.017 -2.734 -1.716) 5.153 15.992 ( -3.778 13.338 12.929) 18.957 17.415 ( 4.953 -0.496 -2.614) 5.622 17.895 ( 1.551 2.115 0.822) 2.748 ======================= Grid point 157 (50/320) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 3.694 -0.753 3.492) 5.138 3.152 ( -4.034 -0.736 23.875) 24.224 3.469 ( -3.967 1.760 -4.286) 6.100 4.038 ( -0.884 -2.504 7.197) 7.672 4.320 ( -7.173 0.905 -2.120) 7.534 4.584 ( -3.630 -1.261 5.401) 6.628 5.139 ( -5.278 -6.534 -7.527) 11.279 5.370 ( 10.377 1.781 1.820) 10.685 6.081 ( 1.776 1.949 -0.628) 2.711 6.248 ( 4.159 1.201 -3.570) 5.611 6.385 ( 5.590 1.338 2.612) 6.313 6.556 ( -3.372 5.933 -6.053) 9.122 6.698 ( -1.802 -1.539 -0.940) 2.549 7.012 ( -0.727 1.658 -0.115) 1.814 7.646 ( -0.942 -4.551 -4.530) 6.490 7.900 ( 0.079 2.843 0.593) 2.905 8.045 ( -1.499 0.944 12.142) 12.271 8.456 ( 2.057 0.729 -3.671) 4.271 8.809 ( -0.853 2.529 3.332) 4.269 9.084 ( -0.510 -0.746 -3.197) 3.322 9.474 ( 0.605 -2.410 -5.155) 5.722 9.806 ( -0.506 -4.397 2.467) 5.067 11.062 ( -0.594 -0.930 1.047) 1.521 11.340 ( -0.203 0.877 2.332) 2.500 11.703 ( 1.650 1.143 0.945) 2.218 12.344 ( -2.986 -9.535 -3.559) 10.606 13.275 ( 3.314 1.912 -3.833) 5.416 13.523 ( -1.054 3.456 4.113) 5.474 13.990 ( 0.312 -6.666 5.654) 8.747 14.765 ( 0.847 -0.948 -2.769) 3.047 15.763 ( -3.817 10.660 5.754) 12.701 17.461 ( 0.028 -2.828 -0.388) 2.855 17.876 ( -0.062 0.466 0.441) 0.644 ======================= Grid point 158 (51/320) ======================= q-point: (-0.42 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 9.568 8.240 4.809) 13.512 2.961 ( -15.569 16.995 22.069) 31.910 3.447 ( 1.654 -0.599 -2.635) 3.169 4.028 ( -14.750 7.332 -6.502) 17.709 4.225 ( -0.965 -4.113 8.718) 9.688 4.591 ( -2.650 -0.502 6.633) 7.160 5.220 ( -0.853 -4.319 -3.804) 5.818 5.396 ( 7.122 4.647 1.564) 8.647 5.873 ( -0.115 15.980 -0.761) 15.999 6.158 ( 2.730 10.682 -1.359) 11.108 6.343 ( 8.184 8.217 2.380) 11.839 6.561 ( 1.766 -4.830 -9.030) 10.392 6.735 ( 0.242 1.806 -5.511) 5.804 6.966 ( -1.913 -4.789 0.627) 5.195 7.698 ( -0.262 2.431 -1.252) 2.747 7.853 ( 2.066 1.229 2.270) 3.307 8.124 ( -6.313 -10.178 6.553) 13.652 8.376 ( 2.943 7.746 -3.864) 9.143 8.660 ( -1.856 9.592 4.793) 10.882 9.119 ( 2.313 -1.876 -2.729) 4.040 9.487 ( 0.919 1.351 -3.610) 3.962 9.992 ( -2.636 -14.314 3.276) 14.919 11.018 ( -0.198 4.934 1.964) 5.314 11.385 ( 2.435 -2.854 1.099) 3.909 11.672 ( 2.852 2.712 0.172) 3.939 12.551 ( 0.772 -12.885 0.974) 12.945 13.258 ( 2.030 0.872 -6.486) 6.852 13.448 ( -3.081 3.562 3.983) 6.168 14.147 ( 1.995 -6.661 10.899) 12.928 14.778 ( 7.400 2.151 -3.935) 8.653 15.566 ( -4.441 7.641 -1.302) 8.933 17.521 ( -4.731 -5.433 2.138) 7.515 17.883 ( -1.909 -1.925 0.150) 2.716 ======================= Grid point 159 (52/320) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 12.010 20.617 5.101) 24.399 2.499 ( -17.878 22.964 19.380) 34.966 3.413 ( -4.953 6.285 -0.437) 8.014 3.686 ( -15.365 9.429 -7.785) 19.637 4.359 ( 2.965 -4.355 9.158) 10.566 4.603 ( -2.644 -1.047 7.679) 8.189 5.212 ( -0.801 4.291 -4.099) 5.989 5.302 ( 0.421 8.127 1.424) 8.262 5.600 ( 2.926 12.908 1.704) 13.345 5.953 ( 0.809 10.662 -2.963) 11.096 6.173 ( 2.252 13.601 1.094) 13.830 6.626 ( 3.081 6.863 -5.217) 9.154 6.655 ( 8.716 -2.180 -6.741) 11.232 7.143 ( 5.840 -6.481 -0.123) 8.725 7.517 ( 2.086 10.282 1.674) 10.624 7.969 ( -3.350 -8.898 1.399) 9.610 8.131 ( -2.844 9.688 -2.309) 10.358 8.317 ( -5.475 -2.869 2.951) 6.850 8.556 ( -1.841 0.470 4.951) 5.303 9.157 ( 4.352 -1.344 -3.104) 5.512 9.439 ( 1.113 2.486 -1.096) 2.936 10.265 ( -2.065 -15.198 1.815) 15.445 10.923 ( 0.727 5.385 1.585) 5.660 11.431 ( 2.931 0.702 0.602) 3.074 11.684 ( 4.134 -0.919 -1.215) 4.406 12.807 ( 4.509 -10.878 2.947) 12.139 13.229 ( -2.204 -0.117 -9.895) 10.139 13.383 ( -2.387 2.070 5.733) 6.546 14.320 ( 4.228 -5.667 12.750) 14.579 14.777 ( 14.346 5.755 -5.836) 16.523 15.396 ( -5.121 5.686 -6.413) 9.984 17.602 ( -8.584 -7.711 4.833) 12.510 17.917 ( -4.969 -4.391 0.723) 6.670 ======================= Grid point 160 (53/320) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.481 29.572 8.398) 30.938 1.973 ( -9.553 26.161 17.867) 33.089 2.968 ( -24.739 25.241 -3.993) 35.568 3.535 ( -0.167 2.987 -3.122) 4.324 4.457 ( 2.739 -0.587 10.877) 11.232 4.633 ( -3.118 -2.825 5.386) 6.835 5.036 ( -2.575 8.881 -8.086) 12.283 5.182 ( 1.136 5.173 5.176) 7.406 5.427 ( 6.642 11.416 1.854) 13.337 5.782 ( -1.189 6.764 -8.301) 10.774 5.984 ( 0.192 6.939 6.440) 9.469 6.452 ( 8.696 15.366 -1.631) 17.731 6.737 ( 9.154 -0.816 -5.594) 10.759 7.196 ( 3.659 2.410 4.124) 6.017 7.494 ( 5.170 -0.591 -3.906) 6.507 7.861 ( -3.876 11.434 -2.663) 12.363 8.023 ( -5.138 5.370 2.470) 7.832 8.314 ( -4.725 -3.616 -2.204) 6.345 8.548 ( -3.231 1.249 8.470) 9.151 9.295 ( 3.232 -11.391 -4.324) 12.605 9.434 ( 2.095 -0.934 -0.128) 2.297 10.518 ( -0.685 -12.509 0.912) 12.561 10.853 ( 1.703 3.090 0.158) 3.532 11.421 ( 1.648 2.170 -0.164) 2.730 11.729 ( 6.048 0.425 -2.639) 6.612 12.983 ( 2.974 -2.140 -2.797) 4.610 13.214 ( -4.722 -5.955 -9.978) 12.543 13.370 ( 0.629 0.430 8.557) 8.591 14.472 ( 7.533 -2.095 4.827) 9.188 14.744 ( 18.727 9.870 -8.806) 22.927 15.247 ( -1.911 5.207 -2.237) 5.980 17.697 ( -9.325 -8.067 6.384) 13.884 17.976 ( -12.353 -8.849 3.890) 15.686 ======================= Grid point 161 (54/320) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.647 32.218 11.208) 34.152 1.464 ( -5.833 26.927 20.852) 34.552 2.163 ( -30.590 35.829 2.183) 47.161 3.466 ( 1.300 4.112 -2.803) 5.143 4.494 ( 0.398 -0.033 11.600) 11.607 4.684 ( -2.465 -3.448 2.069) 4.717 4.868 ( -1.165 4.350 -8.334) 9.473 5.154 ( 0.660 2.070 8.291) 8.571 5.296 ( 9.129 7.683 -1.548) 12.032 5.594 ( 2.193 10.947 -10.465) 15.302 5.962 ( 0.721 -0.284 11.306) 11.333 6.236 ( 5.147 12.115 1.687) 13.270 6.821 ( 7.743 -2.408 -2.563) 8.505 7.183 ( -1.076 2.719 3.377) 4.468 7.377 ( 3.946 14.367 -8.504) 17.155 7.709 ( -0.670 5.393 -2.669) 6.054 7.813 ( -4.016 6.623 -1.348) 7.862 8.307 ( -0.301 2.878 -0.998) 3.061 8.555 ( -4.727 -2.543 9.707) 11.092 9.473 ( 0.844 -4.147 0.417) 4.253 9.573 ( 2.033 -13.561 -6.674) 15.251 10.721 ( 0.221 -9.025 0.599) 9.048 10.836 ( 5.672 1.967 -2.696) 6.581 11.369 ( -0.217 3.906 -2.099) 4.440 11.740 ( 7.403 3.135 -3.387) 8.724 12.883 ( -11.995 5.583 -26.458) 29.582 13.280 ( -0.633 -2.596 -5.401) 6.026 13.446 ( 4.370 -3.885 9.891) 11.490 14.413 ( 19.603 19.460 -34.735) 44.379 14.684 ( 0.851 2.586 8.584) 9.005 15.242 ( 22.927 4.042 19.015) 30.059 17.773 ( -4.254 -3.789 3.880) 6.892 18.108 ( -28.608 -21.173 12.503) 37.723 ======================= Grid point 162 (55/320) ======================= q-point: (-0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 6.931 34.766 11.141) 37.159 0.961 ( -15.140 27.206 17.099) 35.521 1.351 ( -23.932 23.237 36.997) 49.814 3.401 ( 1.836 2.952 -2.363) 4.204 4.570 ( -1.959 -7.339 12.278) 14.437 4.712 ( -2.345 -1.593 -2.647) 3.879 4.834 ( 0.325 -2.780 -4.643) 5.421 5.103 ( 2.254 5.681 4.387) 7.523 5.278 ( 8.187 4.017 -4.077) 9.989 5.430 ( 6.992 5.614 1.739) 9.134 5.926 ( -4.017 10.078 -2.706) 11.181 6.107 ( -0.065 6.772 3.865) 7.797 6.872 ( 3.702 6.984 -0.573) 7.926 7.052 ( -1.878 -0.412 -0.708) 2.049 7.207 ( 7.083 6.280 -1.616) 9.604 7.590 ( -0.191 1.648 -4.414) 4.716 7.739 ( 0.763 3.884 -3.468) 5.262 8.241 ( -0.909 2.049 -1.096) 2.495 8.583 ( -5.873 -1.535 11.198) 12.737 9.539 ( -1.476 -2.848 -0.061) 3.209 9.794 ( 3.872 -8.492 -8.940) 12.924 10.723 ( 20.771 30.025 -22.186) 42.722 10.854 ( 0.486 -4.273 0.275) 4.309 11.267 ( -2.895 3.900 -3.675) 6.091 11.710 ( 4.429 4.611 -5.708) 8.571 12.200 ( -46.552 36.913 -61.344) 85.397 13.279 ( 3.923 1.839 -1.682) 4.648 13.575 ( 2.145 -3.783 3.547) 5.612 14.022 ( 16.600 21.293 -15.450) 31.107 14.675 ( -3.406 0.493 10.891) 11.422 15.598 ( 67.320 1.044 27.564) 72.752 17.794 ( -0.762 -0.291 1.068) 1.344 18.417 ( -48.311 -39.073 15.121) 63.948 ======================= Grid point 164 (56/320) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 27.958 -0.000 19.190) 33.910 1.104 ( 24.300 -0.000 27.011) 36.333 1.593 ( 22.532 -0.000 43.608) 49.086 3.407 ( 1.395 -0.000 -0.196) 1.408 4.590 ( -11.625 0.000 3.834) 12.240 4.743 ( -9.338 0.000 0.653) 9.361 4.867 ( 1.990 -0.000 -5.176) 5.545 5.051 ( -1.307 0.000 -3.699) 3.923 5.187 ( 1.968 -0.000 4.310) 4.738 5.448 ( 4.376 -0.000 7.835) 8.974 5.595 ( 2.885 -0.000 8.722) 9.187 5.822 ( -11.067 0.000 6.892) 13.038 6.736 ( -2.029 0.000 -4.169) 4.636 7.131 ( -3.368 0.000 -2.485) 4.186 7.414 ( 0.613 -0.000 0.125) 0.625 7.561 ( -5.844 0.000 -3.132) 6.631 7.645 ( -0.578 0.000 -7.438) 7.460 8.224 ( 7.569 -0.000 -11.580) 13.834 8.570 ( -6.998 0.000 12.705) 14.504 9.540 ( 2.778 -0.000 0.624) 2.847 9.622 ( 0.772 -0.000 -1.080) 1.327 9.885 ( 3.482 -0.000 -11.583) 12.095 10.901 ( -0.333 0.000 1.003) 1.057 11.146 ( 6.027 -0.000 -0.271) 6.033 11.270 ( -0.232 0.000 -0.875) 0.905 11.722 ( -1.802 0.000 -0.510) 1.873 13.406 ( 6.657 -0.000 3.806) 7.669 13.623 ( 0.709 -0.000 -0.444) 0.837 13.788 ( -8.209 0.000 -9.006) 12.186 14.690 ( -4.126 0.000 8.585) 9.525 17.279 ( -2.081 0.000 1.708) 2.692 17.742 ( 14.948 -0.000 -14.414) 20.765 17.891 ( -6.062 0.000 8.506) 10.445 ======================= Grid point 165 (57/320) ======================= q-point: ( 0.17 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 24.339 5.177 16.518) 29.867 1.490 ( 12.218 -9.382 33.831) 37.173 2.200 ( 35.954 -24.336 20.761) 48.124 3.418 ( 0.663 -0.658 -1.241) 1.553 4.455 ( -11.443 2.668 10.337) 15.649 4.608 ( -0.631 2.966 -7.265) 7.872 4.818 ( 1.161 3.572 -2.988) 4.800 5.215 ( -1.120 -5.598 6.866) 8.929 5.365 ( -8.913 -3.995 2.167) 10.005 5.458 ( -0.942 -7.398 -0.725) 7.493 5.694 ( 2.049 -11.000 0.589) 11.205 6.032 ( -4.786 -19.853 12.336) 23.858 6.682 ( -7.475 0.718 -4.342) 8.674 7.054 ( 1.166 3.935 -1.149) 4.262 7.433 ( 1.527 -5.614 -1.855) 6.106 7.549 ( -2.862 -1.247 -5.429) 6.263 7.705 ( -0.778 -7.486 -4.273) 8.654 8.219 ( 0.973 -1.163 -7.455) 7.607 8.525 ( -6.639 1.692 12.187) 13.981 9.496 ( -0.046 2.958 -2.192) 3.683 9.743 ( 0.582 9.557 -9.297) 13.346 10.318 ( -14.864 -47.048 -19.234) 52.956 10.860 ( -1.660 3.822 1.192) 4.334 11.145 ( 8.311 4.713 -2.576) 9.896 11.327 ( -0.837 -6.257 -3.160) 7.060 11.764 ( 0.904 -5.902 -3.053) 6.707 13.470 ( 6.058 0.164 4.572) 7.591 13.607 ( -0.300 1.543 -1.672) 2.295 13.727 ( -6.740 -2.074 -8.351) 10.930 14.679 ( -5.582 -0.574 6.507) 8.593 17.094 ( -35.810 5.183 32.942) 48.932 17.676 ( 36.055 18.014 -22.560) 46.189 17.922 ( 8.111 -0.453 -1.988) 8.364 ======================= Grid point 166 (58/320) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 11.430 -16.718 8.340) 21.902 1.866 ( 9.465 -13.512 29.617) 33.902 2.947 ( 28.382 -20.788 6.359) 35.751 3.449 ( 1.441 -3.409 -2.844) 4.668 4.396 ( -10.932 -1.761 10.710) 15.405 4.538 ( -1.822 1.942 -2.821) 3.879 4.776 ( 2.541 0.342 -5.752) 6.298 5.269 ( -3.692 -2.034 7.664) 8.747 5.407 ( -1.861 -6.121 5.493) 8.432 5.580 ( -3.537 -8.342 0.216) 9.064 5.965 ( -1.909 -14.925 -3.189) 15.380 6.380 ( 1.824 -8.621 8.687) 12.374 6.662 ( -14.942 -15.383 5.491) 22.137 7.010 ( 5.680 4.090 -3.315) 7.745 7.496 ( -5.279 0.890 -6.195) 8.188 7.633 ( 1.753 -11.938 -4.592) 12.911 7.856 ( 5.615 -7.834 -2.886) 10.061 8.262 ( -1.608 -4.692 -4.944) 7.003 8.472 ( -5.811 1.523 9.153) 10.949 9.414 ( -2.055 4.558 -1.021) 5.103 9.495 ( 0.453 13.307 -7.586) 15.324 10.648 ( -3.248 3.133 -5.266) 6.935 10.842 ( -11.692 -11.292 -0.593) 16.266 11.130 ( -1.734 -3.115 -6.959) 7.819 11.436 ( -3.771 -7.542 -7.167) 11.067 11.930 ( 3.596 -10.267 -8.807) 13.997 13.482 ( 1.233 2.869 0.530) 3.167 13.585 ( 0.555 -0.153 0.447) 0.729 13.713 ( -2.031 -1.963 -5.457) 6.145 14.659 ( -6.598 -1.003 3.910) 7.735 16.794 ( -23.418 10.531 31.912) 40.960 17.590 ( 26.189 11.936 -15.975) 32.917 17.977 ( 7.528 0.811 -1.806) 7.784 ======================= Grid point 167 (59/320) ======================= q-point: ( 0.33 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 5.189 -20.519 4.085) 21.555 2.297 ( 8.543 -17.301 23.801) 30.639 3.314 ( 5.851 -4.952 -2.113) 7.951 3.638 ( 9.549 -12.956 -3.493) 16.469 4.343 ( -10.510 2.534 10.111) 14.802 4.508 ( -4.783 -0.926 3.975) 6.288 4.834 ( 3.455 -5.400 -9.284) 11.282 5.365 ( 1.906 -7.227 5.155) 9.079 5.514 ( -4.556 -5.080 4.524) 8.188 5.763 ( 2.446 -11.859 4.096) 12.783 6.185 ( -2.570 -11.978 -1.757) 12.376 6.427 ( -3.503 -3.611 0.087) 5.032 6.947 ( 5.308 5.437 -5.544) 9.406 7.045 ( -9.709 -21.439 14.212) 27.493 7.393 ( -4.590 0.722 -3.030) 5.547 7.843 ( 2.561 -6.844 -5.351) 9.057 8.025 ( 3.822 -5.798 -1.750) 7.161 8.333 ( 3.562 -3.559 -5.206) 7.243 8.443 ( -3.831 -1.402 5.552) 6.890 9.265 ( -1.258 8.505 -2.521) 8.959 9.299 ( -4.065 4.110 -2.247) 6.202 10.450 ( -0.176 12.849 -1.917) 12.993 10.906 ( -3.412 -2.238 3.039) 5.088 11.211 ( -8.734 -10.645 -4.287) 14.422 11.497 ( -4.162 -4.610 -7.834) 9.997 12.097 ( 0.741 -7.491 -9.632) 12.225 13.421 ( -1.830 2.345 -2.716) 4.028 13.602 ( 1.993 0.178 2.617) 3.294 13.737 ( 1.327 -1.725 -2.593) 3.385 14.640 ( -6.642 -1.904 1.767) 7.132 16.512 ( -13.547 12.437 24.492) 30.628 17.540 ( 16.827 7.772 -10.316) 21.212 17.994 ( 5.058 2.321 -0.306) 5.574 ======================= Grid point 168 (60/320) ======================= q-point: ( 0.42 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 4.028 -15.397 2.954) 16.187 2.745 ( 7.263 -16.909 21.031) 27.946 3.391 ( 0.281 -3.465 -3.275) 4.776 3.953 ( 4.095 -14.720 -3.158) 15.602 4.206 ( -8.432 6.120 9.642) 14.196 4.501 ( -7.979 -2.323 4.804) 9.599 4.923 ( -1.818 -5.326 -10.801) 12.179 5.456 ( 0.718 1.594 1.372) 2.223 5.658 ( 2.725 -13.272 1.450) 13.626 6.026 ( 1.637 -10.481 6.667) 12.529 6.381 ( 2.137 -7.311 6.379) 9.936 6.540 ( -1.559 -10.360 -5.576) 11.868 6.852 ( 3.838 6.281 -6.601) 9.887 7.076 ( -6.557 4.906 -0.616) 8.212 7.608 ( -4.106 -15.336 13.175) 20.631 7.825 ( 1.998 4.334 -6.272) 7.881 8.169 ( -1.991 -8.205 -2.804) 8.896 8.320 ( 6.742 6.418 -2.023) 9.525 8.563 ( -0.606 -8.821 5.235) 10.275 9.126 ( -6.121 3.617 0.040) 7.110 9.265 ( 0.457 -4.610 -6.146) 7.696 10.178 ( 0.895 15.841 -1.439) 15.931 10.934 ( -3.611 -3.227 2.894) 5.642 11.338 ( -2.850 -6.783 1.054) 7.433 11.527 ( -4.501 -5.763 -6.200) 9.587 12.162 ( -1.701 -2.583 -7.164) 7.803 13.363 ( -1.418 1.588 -3.705) 4.273 13.624 ( 3.212 1.053 5.235) 6.231 13.781 ( 1.127 -2.874 -1.623) 3.488 14.646 ( -5.040 -3.487 0.121) 6.131 16.244 ( -8.309 13.207 17.086) 23.139 17.501 ( 9.694 5.145 -6.279) 12.644 17.970 ( 2.968 3.455 0.577) 4.591 ======================= Grid point 169 (61/320) ======================= q-point: ( 0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 6.944 -9.059 4.054) 12.113 3.109 ( 4.022 -9.893 21.849) 24.319 3.432 ( -2.775 -1.694 -3.051) 4.459 4.048 ( -4.475 3.182 7.065) 8.948 4.193 ( -7.088 -7.115 -2.432) 10.334 4.500 ( -8.498 -3.407 4.359) 10.140 4.964 ( -2.710 -5.914 -8.349) 10.585 5.461 ( 6.470 -0.072 0.355) 6.480 5.960 ( 6.140 -13.465 -1.065) 14.837 6.188 ( -3.051 -6.403 3.811) 8.052 6.477 ( 4.522 0.683 4.616) 6.498 6.633 ( -4.003 1.371 -3.655) 5.591 6.696 ( -0.855 6.544 -8.567) 10.814 7.045 ( 3.869 -1.232 2.045) 4.546 7.613 ( 0.638 4.969 -2.987) 5.832 7.920 ( -4.691 -5.681 9.077) 11.691 8.130 ( 1.735 6.758 -0.504) 6.995 8.393 ( 3.794 -7.645 -3.007) 9.049 8.730 ( -2.198 -8.144 7.243) 11.118 9.040 ( -5.580 0.036 -3.432) 6.551 9.394 ( 2.529 -6.822 -6.332) 9.645 9.897 ( 0.735 12.823 0.166) 12.845 10.987 ( -3.266 -4.587 1.738) 5.893 11.370 ( -0.301 1.429 1.260) 1.929 11.661 ( 0.385 -9.479 0.210) 9.489 12.157 ( -4.680 -2.764 -5.535) 7.757 13.321 ( 0.760 1.427 -4.767) 5.034 13.612 ( 1.454 4.113 6.050) 7.459 13.873 ( 0.606 -6.377 2.069) 6.732 14.697 ( -1.305 -4.791 -1.584) 5.212 15.982 ( -5.314 13.014 10.599) 17.605 17.466 ( 3.579 2.723 -3.147) 5.489 17.922 ( 1.384 3.364 0.735) 3.712 ======================= Grid point 170 (62/320) ======================= q-point: (-0.42 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 12.456 -2.514 5.346) 13.786 3.185 ( -9.513 9.874 24.746) 28.291 3.421 ( 2.080 -2.468 -4.239) 5.328 3.996 ( -13.102 3.657 -5.775) 14.778 4.156 ( -4.880 -2.989 6.428) 8.606 4.525 ( -7.248 -4.087 4.996) 9.706 5.096 ( 2.706 -8.132 -3.828) 9.387 5.521 ( 6.853 1.517 0.650) 7.049 6.110 ( 1.651 6.717 -0.576) 6.941 6.277 ( 1.353 -4.037 -0.654) 4.308 6.459 ( -0.220 0.609 -3.342) 3.405 6.505 ( 3.834 1.438 -3.100) 5.136 6.670 ( 0.219 -1.337 -4.044) 4.265 7.015 ( 0.481 7.582 2.562) 8.018 7.600 ( -1.456 -4.953 -4.503) 6.850 7.908 ( -0.042 2.200 1.574) 2.705 8.077 ( -2.527 2.224 11.546) 12.027 8.504 ( 6.352 1.442 -3.108) 7.217 8.814 ( -0.713 1.943 2.809) 3.490 9.024 ( -4.728 -4.218 -3.617) 7.296 9.465 ( 1.870 -2.062 -5.344) 6.026 9.803 ( -1.557 -3.100 2.712) 4.404 11.043 ( -2.137 -2.122 0.770) 3.108 11.353 ( 0.331 -0.733 1.533) 1.731 11.772 ( 5.736 2.227 2.523) 6.650 12.250 ( -5.979 -14.474 -3.898) 16.138 13.290 ( 2.157 1.791 -6.400) 6.987 13.534 ( -1.094 5.515 5.924) 8.167 14.026 ( -0.569 -8.239 7.170) 10.936 14.790 ( 4.384 -4.427 -4.083) 7.449 15.737 ( -3.091 11.824 5.693) 13.482 17.442 ( -1.973 -0.060 -0.192) 1.983 17.879 ( 0.096 1.873 0.447) 1.928 ======================= Grid point 171 (63/320) ======================= q-point: (-0.33 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 16.378 8.649 5.320) 19.270 2.844 ( -12.105 20.193 19.826) 30.779 3.462 ( -0.779 1.730 0.521) 1.967 3.681 ( -20.589 7.977 -8.389) 23.620 4.294 ( 2.670 -6.755 7.430) 10.390 4.557 ( -5.972 -3.062 7.183) 9.830 5.217 ( 1.681 -2.475 -2.310) 3.780 5.469 ( 2.089 7.436 -0.267) 7.728 5.853 ( -1.804 14.412 0.691) 14.541 6.223 ( 5.368 12.966 -2.518) 14.258 6.446 ( 2.834 8.738 -0.400) 9.195 6.583 ( 6.203 -7.893 -5.345) 11.373 6.704 ( 0.806 2.054 -5.193) 5.642 6.956 ( -0.235 -9.401 1.067) 9.465 7.686 ( -0.215 -2.207 -2.214) 3.133 7.889 ( 1.141 2.748 1.478) 3.323 8.067 ( -5.960 -4.824 9.547) 12.245 8.406 ( 2.767 10.849 -3.163) 11.634 8.666 ( -0.041 9.949 3.070) 10.412 9.120 ( 0.054 -6.391 -2.475) 6.853 9.477 ( 0.494 1.488 -4.133) 4.420 9.964 ( -2.798 -14.128 2.449) 14.609 11.017 ( -1.071 3.346 1.889) 3.989 11.419 ( 1.541 -3.880 -0.275) 4.184 11.733 ( 3.971 4.153 0.893) 5.815 12.535 ( -1.624 -18.057 -2.371) 18.284 13.236 ( 0.211 3.361 -8.612) 9.247 13.448 ( -1.115 4.043 7.543) 8.631 14.197 ( -2.911 -8.859 9.190) 13.093 14.897 ( 10.568 -2.205 -8.826) 13.945 15.532 ( 0.138 9.920 4.698) 10.977 17.440 ( -7.157 -3.122 3.146) 8.419 17.860 ( -1.088 -0.117 0.173) 1.108 ======================= Grid point 172 (64/320) ======================= q-point: (-0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -12.649 24.718 18.434) 33.328 2.590 ( 17.272 23.892 6.861) 30.269 3.166 ( -21.147 15.479 -4.800) 26.642 3.552 ( -0.403 0.285 -3.151) 3.190 4.445 ( 2.481 -5.169 5.535) 7.969 4.581 ( -5.395 -1.700 9.833) 11.344 5.154 ( -2.644 7.445 -7.531) 10.915 5.329 ( 1.436 7.917 3.620) 8.823 5.645 ( 0.838 8.184 4.618) 9.434 5.959 ( 1.817 14.722 -7.895) 16.804 6.221 ( 2.815 14.830 6.916) 16.604 6.649 ( 2.950 1.592 -4.768) 5.829 6.742 ( 6.250 -2.933 -7.539) 10.222 7.243 ( 6.373 -11.950 -0.095) 13.543 7.550 ( 0.153 12.458 3.899) 13.055 7.917 ( -3.548 -6.568 0.555) 7.486 8.108 ( 1.653 10.514 -1.760) 10.788 8.231 ( -6.743 -0.997 1.206) 6.922 8.553 ( -1.860 2.145 4.530) 5.347 9.191 ( 2.282 -1.913 -2.894) 4.152 9.441 ( 0.106 0.252 -1.943) 1.962 10.242 ( -1.695 -15.905 0.828) 16.016 10.940 ( 0.356 4.612 2.005) 5.042 11.461 ( 1.090 0.670 -1.242) 1.783 11.735 ( 2.794 -1.419 -1.305) 3.395 12.829 ( -0.702 -13.688 -6.972) 15.377 13.134 ( -2.210 2.982 -7.089) 8.002 13.416 ( 0.639 1.537 8.581) 8.741 14.340 ( -7.063 -7.917 5.025) 11.740 14.957 ( 10.572 2.153 -18.088) 21.062 15.434 ( 12.258 6.204 12.682) 18.697 17.465 ( -12.613 -6.225 7.307) 15.851 17.862 ( -2.150 -1.238 0.210) 2.490 ======================= Grid point 173 (65/320) ======================= q-point: (-0.17 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -10.295 25.538 20.976) 34.614 2.169 ( 6.821 32.341 7.666) 33.930 2.619 ( -11.371 28.422 -2.613) 30.724 3.526 ( 0.695 2.255 -3.240) 4.009 4.538 ( 0.679 -0.032 9.253) 9.277 4.593 ( -5.276 -3.295 5.047) 8.010 4.948 ( -2.394 7.945 -9.685) 12.753 5.233 ( 1.345 4.471 6.342) 7.875 5.524 ( 3.484 9.350 3.221) 10.485 5.723 ( -1.109 7.793 -6.802) 10.403 6.059 ( 4.009 7.058 10.147) 12.994 6.564 ( 5.075 13.756 0.005) 14.662 6.785 ( 3.441 -3.452 -10.450) 11.531 7.261 ( 0.122 8.161 5.865) 10.051 7.554 ( 3.821 -5.578 -2.190) 7.106 7.811 ( -0.391 15.616 -2.375) 15.800 7.960 ( -3.421 5.357 -0.442) 6.371 8.231 ( -2.810 -4.779 -3.129) 6.366 8.537 ( -3.852 0.142 7.867) 8.761 9.308 ( 1.745 -10.819 -4.788) 11.959 9.453 ( 0.405 -1.174 -0.657) 1.405 10.510 ( -0.851 -13.292 0.198) 13.321 10.882 ( 1.624 2.175 1.184) 2.961 11.424 ( -0.310 2.768 -2.320) 3.625 11.784 ( 2.429 -1.390 -2.798) 3.957 12.834 ( -10.154 4.357 -24.407) 26.792 13.181 ( 2.662 -6.979 1.085) 7.548 13.443 ( 1.879 -1.063 8.573) 8.841 14.372 ( -12.721 -3.190 -9.689) 16.306 14.868 ( 3.455 6.904 -14.785) 16.679 15.611 ( 36.192 -0.547 18.591) 40.692 17.512 ( -20.065 -9.481 13.015) 25.727 17.866 ( -2.841 -1.009 0.565) 3.068 ======================= Grid point 174 (66/320) ======================= q-point: (-0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -7.341 25.779 17.596) 32.064 1.554 ( -10.351 32.496 13.853) 36.810 1.986 ( 12.855 37.695 11.260) 41.388 3.466 ( 0.643 3.378 -3.245) 4.728 4.526 ( -4.058 0.577 10.920) 11.663 4.645 ( -2.621 -3.441 -1.496) 4.577 4.813 ( -0.330 2.238 -7.666) 7.993 5.208 ( 0.434 2.328 9.319) 9.615 5.390 ( 3.268 6.342 -0.874) 7.187 5.595 ( 2.154 5.863 -2.368) 6.680 6.044 ( 2.848 3.154 6.432) 7.709 6.260 ( -2.747 16.271 3.146) 16.799 6.899 ( 5.124 -6.517 -5.188) 9.779 7.082 ( -10.873 9.635 0.496) 14.536 7.485 ( 9.892 13.733 -1.796) 17.019 7.681 ( -1.051 3.390 -3.661) 5.099 7.758 ( -0.883 5.397 -3.371) 6.424 8.288 ( -0.161 -0.101 -2.322) 2.330 8.536 ( -4.526 -1.380 9.563) 10.670 9.475 ( -0.652 -2.827 -0.282) 2.915 9.560 ( 1.102 -13.869 -7.514) 15.812 10.715 ( -0.941 -9.162 -0.143) 9.211 10.911 ( 4.473 -2.669 -0.091) 5.209 11.337 ( -1.691 5.151 -4.724) 7.191 11.796 ( 1.114 0.891 -2.650) 3.009 12.390 ( -22.287 24.613 -45.826) 56.591 13.301 ( 3.532 -2.390 1.758) 4.613 13.525 ( 1.925 -3.585 4.306) 5.925 14.185 ( -13.631 6.342 -23.314) 27.742 14.750 ( 0.143 4.591 2.397) 5.181 16.115 ( 60.118 -9.243 13.146) 62.229 17.570 ( -32.936 -13.662 21.752) 41.768 17.860 ( -2.845 -0.640 1.642) 3.347 ======================= Grid point 177 (67/320) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 30.164 -0.000 14.688) 33.550 1.586 ( 19.398 -0.000 29.154) 35.018 2.261 ( 37.726 -0.000 23.501) 44.447 3.422 ( 0.628 -0.000 -0.077) 0.632 4.415 ( -14.887 0.000 9.719) 17.779 4.652 ( -2.778 0.000 -4.131) 4.978 4.872 ( 2.205 -0.000 -5.879) 6.279 4.989 ( -3.674 0.000 -4.213) 5.590 5.229 ( -0.286 0.000 5.438) 5.445 5.572 ( 4.185 -0.000 11.201) 11.957 5.655 ( -0.455 0.000 2.788) 2.824 5.703 ( -7.690 0.000 9.274) 12.047 6.644 ( -6.119 0.000 -7.586) 9.746 7.102 ( 1.516 -0.000 0.113) 1.520 7.403 ( -3.524 0.000 -2.987) 4.620 7.442 ( -6.326 0.000 2.283) 6.725 7.562 ( -3.763 0.000 -8.538) 9.331 8.212 ( -0.706 0.000 -13.326) 13.345 8.520 ( -8.049 0.000 13.835) 16.006 9.565 ( 1.127 -0.000 -2.005) 2.300 9.680 ( 6.252 -0.000 -0.249) 6.257 9.868 ( 2.466 -0.000 -10.284) 10.576 10.900 ( -0.318 0.000 0.971) 1.022 11.243 ( 1.909 -0.000 0.082) 1.910 11.304 ( 8.622 -0.000 -3.155) 9.181 11.680 ( -2.995 0.000 -0.684) 3.072 13.512 ( 0.947 -0.000 -0.408) 1.031 13.605 ( -0.449 0.000 -2.171) 2.217 13.669 ( -0.032 0.000 -2.046) 2.046 14.646 ( -6.162 0.000 5.884) 8.520 16.962 ( -30.380 0.000 31.158) 43.518 17.927 ( 3.218 -0.000 3.515) 4.765 18.062 ( 27.775 -0.000 -33.042) 43.165 ======================= Grid point 178 (68/320) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 31.150 15.503 12.574) 36.997 1.868 ( 13.998 -5.121 30.903) 34.310 2.848 ( 35.223 -18.264 10.897) 41.145 3.420 ( 0.463 -0.116 -1.152) 1.247 4.312 ( -13.622 0.236 9.251) 16.468 4.563 ( -0.953 3.203 -4.284) 5.434 4.826 ( 1.855 3.245 -2.852) 4.702 5.139 ( -8.653 -11.993 -2.584) 15.013 5.281 ( -2.995 -4.322 3.875) 6.531 5.468 ( -2.694 2.608 8.918) 9.674 5.736 ( 3.387 -8.999 -2.766) 10.005 6.031 ( -5.129 -23.334 15.833) 28.661 6.530 ( -7.419 3.634 -5.888) 10.145 7.101 ( 4.929 1.661 -1.041) 5.305 7.422 ( -0.747 -5.678 -6.316) 8.526 7.449 ( -5.817 -2.997 -4.046) 7.694 7.652 ( -3.136 -13.731 -1.308) 14.146 8.153 ( -4.133 -0.873 -9.219) 10.141 8.481 ( -7.323 1.351 12.912) 14.905 9.492 ( 1.224 4.599 -3.271) 5.775 9.716 ( 1.854 10.035 -7.350) 12.576 10.114 ( -4.303 -28.463 -7.244) 29.684 10.852 ( -0.271 5.197 0.964) 5.293 11.234 ( 3.740 7.629 -0.287) 8.501 11.311 ( 0.467 -2.963 -2.555) 3.941 11.771 ( 2.379 -9.033 -2.684) 9.720 13.467 ( -6.693 0.307 -7.441) 10.013 13.627 ( 5.032 0.884 3.919) 6.439 13.686 ( 2.414 -1.019 -0.641) 2.698 14.611 ( -6.350 -0.104 4.227) 7.629 16.800 ( -24.217 3.084 29.251) 38.100 17.918 ( 9.480 6.337 -3.588) 11.955 18.093 ( 17.791 5.299 -19.585) 26.985 ======================= Grid point 179 (69/320) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 23.218 -1.794 9.245) 25.056 2.185 ( 12.271 -10.125 25.796) 30.307 3.292 ( 11.480 -4.023 -0.420) 12.172 3.498 ( 7.803 -8.084 -2.626) 11.538 4.261 ( -13.425 -2.479 9.596) 16.687 4.511 ( -1.174 1.671 1.256) 2.397 4.798 ( 3.827 0.405 -5.252) 6.511 5.250 ( -2.294 -7.162 6.153) 9.717 5.384 ( -4.443 -7.798 4.124) 9.877 5.541 ( -0.695 -10.413 -0.678) 10.458 5.941 ( -0.900 -11.125 -0.165) 11.163 6.402 ( -3.207 0.921 -0.605) 3.391 6.506 ( -9.336 -25.124 14.307) 30.382 7.100 ( 7.477 3.212 -3.093) 8.706 7.370 ( -5.651 1.597 -7.964) 9.895 7.628 ( 0.154 -13.635 -4.591) 14.388 7.900 ( 1.384 -11.061 -1.605) 11.262 8.186 ( -3.915 -9.101 -5.426) 11.296 8.430 ( -6.043 1.452 10.062) 11.827 9.381 ( -1.191 6.980 -2.081) 7.380 9.471 ( 1.131 13.656 -5.396) 14.727 10.514 ( -7.493 -16.763 -6.870) 19.604 10.739 ( -2.133 2.276 1.378) 3.410 11.088 ( -2.270 6.186 -1.106) 6.682 11.386 ( -0.086 -4.423 -3.880) 5.884 11.964 ( 4.986 -8.202 -3.633) 10.263 13.385 ( -6.920 0.390 -7.061) 9.894 13.652 ( 4.103 0.935 2.664) 4.981 13.734 ( 3.872 -0.975 0.866) 4.085 14.577 ( -5.871 -0.461 2.595) 6.435 16.622 ( -18.093 6.146 24.769) 31.283 17.830 ( 14.989 10.602 -9.894) 20.856 18.082 ( 7.816 3.040 -5.812) 10.203 ======================= Grid point 180 (70/320) ======================= q-point: ( 0.42 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 15.134 -11.241 5.618) 19.671 2.570 ( 10.723 -14.537 21.427) 28.026 3.349 ( 1.787 -0.937 -3.323) 3.887 3.714 ( 1.998 -10.979 -4.449) 12.014 4.212 ( -13.354 -0.402 9.783) 16.559 4.456 ( -4.838 2.587 4.948) 7.388 4.827 ( 1.836 -2.055 -8.794) 9.216 5.409 ( -3.618 -5.771 4.104) 7.952 5.499 ( 4.210 -7.983 3.211) 9.580 5.824 ( 2.270 -14.857 2.377) 15.216 6.162 ( 0.220 -14.964 -1.578) 15.049 6.407 ( 0.792 -3.442 3.658) 5.085 6.848 ( -10.165 -11.731 2.688) 15.754 7.101 ( 5.227 3.781 -0.452) 6.466 7.322 ( -2.365 -7.940 -1.796) 8.477 7.836 ( -2.040 -8.384 -3.946) 9.488 8.027 ( -1.238 -3.240 -1.590) 3.815 8.375 ( 5.641 -8.504 -4.322) 11.083 8.417 ( -3.578 -3.582 6.323) 8.100 9.199 ( -5.208 8.978 -0.132) 10.379 9.263 ( 0.345 6.393 -3.085) 7.106 10.447 ( 0.951 11.680 -1.288) 11.789 10.860 ( -3.897 -5.833 2.446) 7.429 11.048 ( -8.606 -11.454 -3.555) 14.761 11.435 ( -0.302 -2.012 -4.640) 5.067 12.106 ( 3.749 -3.786 -2.340) 5.819 13.320 ( -5.554 -0.693 -6.048) 8.240 13.681 ( 4.617 0.183 3.165) 5.601 13.772 ( 2.529 -0.038 0.326) 2.550 14.560 ( -4.516 -1.764 1.336) 5.029 16.417 ( -13.102 9.005 18.829) 24.643 17.718 ( 12.729 10.160 -8.715) 18.472 18.060 ( 3.638 3.295 -1.067) 5.023 ======================= Grid point 181 (71/320) ======================= q-point: ( 0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 11.084 -12.045 4.111) 16.877 2.980 ( 8.359 -14.414 20.798) 26.649 3.372 ( -0.260 -1.827 -3.776) 4.203 3.917 ( -5.560 -11.690 -3.696) 13.462 4.125 ( -9.142 2.461 10.237) 13.944 4.391 ( -8.636 -0.411 4.517) 9.755 4.847 ( -0.217 -2.846 -8.139) 8.625 5.453 ( -0.690 -3.261 0.019) 3.333 5.767 ( 8.509 -12.605 0.675) 15.223 6.034 ( -3.884 -8.347 5.017) 10.485 6.410 ( -2.209 -8.816 -3.322) 9.676 6.543 ( 1.959 -6.026 2.748) 6.907 6.876 ( 4.895 7.890 -7.860) 12.165 7.012 ( 0.091 -2.839 1.694) 3.307 7.615 ( -2.798 -16.366 8.989) 18.881 7.828 ( 1.756 6.529 -4.735) 8.254 8.076 ( -6.751 -8.138 -4.000) 11.305 8.418 ( 5.993 3.566 -0.283) 6.979 8.586 ( -0.115 -7.508 5.949) 9.580 9.013 ( -7.564 4.036 -0.588) 8.594 9.260 ( 2.042 -5.790 -4.098) 7.382 10.195 ( 1.935 15.858 -0.251) 15.977 10.886 ( -4.164 -2.955 2.235) 5.574 11.303 ( -2.946 -16.760 1.228) 17.061 11.437 ( -2.099 -1.666 -4.958) 5.636 12.144 ( 1.346 1.329 -0.591) 1.982 13.295 ( -2.591 -1.619 -5.516) 6.306 13.714 ( 3.222 2.677 5.646) 7.030 13.795 ( 1.166 -2.803 -0.546) 3.085 14.590 ( -2.098 -4.280 0.073) 4.768 16.185 ( -9.169 10.912 12.846) 19.187 17.604 ( 7.705 8.432 -5.790) 12.806 18.010 ( 1.779 4.114 0.373) 4.497 ======================= Grid point 182 (72/320) ======================= q-point: ( 0.58 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 11.175 -10.330 4.299) 15.813 3.276 ( -0.750 -3.194 23.679) 23.906 3.380 ( 0.774 -1.705 -3.607) 4.064 3.941 ( -12.069 1.168 -4.985) 13.110 4.088 ( -3.630 -2.015 8.102) 9.104 4.378 ( -9.468 -4.650 4.731) 11.561 4.948 ( 3.625 -8.695 -4.150) 10.294 5.540 ( 3.672 -3.841 -0.737) 5.365 6.051 ( 2.982 -10.807 -0.047) 11.211 6.157 ( 0.090 -7.316 1.427) 7.454 6.465 ( -3.932 -3.680 -9.698) 11.093 6.558 ( -3.238 8.813 -2.686) 9.766 6.702 ( 3.132 2.624 0.689) 4.144 7.140 ( 6.117 0.644 3.100) 6.888 7.622 ( 2.475 8.822 -2.315) 9.450 7.890 ( -4.868 -7.682 7.194) 11.596 8.132 ( -0.173 1.358 -2.186) 2.579 8.453 ( 4.970 -7.546 -0.991) 9.089 8.721 ( -3.922 -6.968 6.664) 10.409 8.930 ( -5.433 -0.355 -3.423) 6.431 9.410 ( 3.132 -6.453 -4.731) 8.592 9.915 ( 1.044 13.833 1.428) 13.945 10.942 ( -3.185 -5.416 1.315) 6.419 11.377 ( 0.145 2.249 -0.024) 2.254 11.672 ( 0.891 -18.774 0.822) 18.813 12.086 ( -2.281 3.599 -0.338) 4.274 13.299 ( 0.682 -0.700 -6.024) 6.102 13.649 ( -0.594 5.648 4.008) 6.951 13.901 ( 0.401 -6.257 4.753) 7.868 14.690 ( 1.335 -6.830 -1.863) 7.204 15.945 ( -5.696 11.327 8.170) 15.083 17.496 ( 2.454 6.030 -2.793) 7.084 17.943 ( 0.730 4.041 0.580) 4.147 ======================= Grid point 183 (73/320) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 12.210 -5.900 3.315) 13.960 3.133 ( -9.317 13.420 16.432) 23.171 3.478 ( 3.539 -1.886 5.002) 6.411 3.686 ( -16.052 11.343 -4.921) 20.262 4.200 ( 1.853 -6.994 6.683) 9.849 4.430 ( -7.781 -6.197 6.452) 11.856 5.142 ( 3.955 -7.478 -1.912) 8.673 5.581 ( 1.575 2.599 -1.102) 3.233 6.111 ( -0.841 11.540 -0.857) 11.603 6.290 ( 0.701 -8.560 -0.784) 8.624 6.449 ( 2.297 -4.715 -7.212) 8.918 6.483 ( -1.840 -3.895 -9.459) 10.393 6.710 ( 4.814 2.464 2.319) 5.884 7.047 ( 0.591 11.086 4.516) 11.985 7.567 ( 0.475 -3.760 -3.984) 5.499 7.908 ( -1.287 2.092 2.325) 3.382 8.089 ( -3.410 1.871 10.131) 10.852 8.606 ( 7.700 5.187 -2.874) 9.719 8.813 ( -0.612 -3.747 1.011) 3.929 8.918 ( -5.914 -5.823 -1.923) 8.520 9.476 ( 3.006 -0.749 -5.276) 6.119 9.789 ( -2.145 -1.187 3.287) 4.101 11.016 ( -1.580 -2.896 0.765) 3.386 11.360 ( -0.145 -1.580 0.238) 1.605 11.887 ( 5.777 6.031 3.228) 8.954 12.139 ( -4.860 -19.486 -2.453) 20.233 13.280 ( 1.345 2.274 -7.539) 7.989 13.544 ( -1.568 5.263 5.157) 7.534 14.039 ( -2.715 -7.364 7.107) 10.588 14.840 ( 4.630 -7.133 -5.362) 10.053 15.734 ( -1.451 9.685 7.039) 12.060 17.408 ( -2.048 3.105 0.160) 3.724 17.882 ( 0.011 2.649 0.385) 2.677 ======================= Grid point 184 (74/320) ======================= q-point: (-0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -9.285 20.300 14.935) 26.858 3.063 ( 14.355 2.932 4.181) 15.237 3.248 ( -15.699 18.978 -1.157) 24.657 3.544 ( 1.488 -0.531 0.770) 1.758 4.351 ( -0.753 -6.616 3.488) 7.517 4.513 ( -4.042 -4.754 10.625) 12.322 5.216 ( -0.280 1.563 -4.177) 4.469 5.487 ( 1.224 6.656 -0.024) 6.768 5.840 ( -0.676 12.691 2.207) 12.900 6.241 ( -0.267 13.648 -6.613) 15.168 6.503 ( 4.458 5.640 2.867) 7.740 6.563 ( -1.362 -6.778 -12.484) 14.271 6.776 ( 6.631 1.310 2.092) 7.076 6.963 ( 0.226 -11.694 1.399) 11.779 7.666 ( -0.432 -3.523 -3.012) 4.655 7.906 ( 0.885 -0.608 0.361) 1.133 8.043 ( -4.951 0.173 12.189) 13.158 8.418 ( 0.624 14.045 -2.929) 14.361 8.688 ( 1.028 10.711 1.679) 10.890 9.110 ( 0.481 -9.720 -1.660) 9.872 9.460 ( 0.389 2.792 -4.731) 5.507 9.934 ( -2.340 -14.263 1.484) 14.529 11.012 ( -0.796 2.148 2.019) 3.054 11.430 ( 0.515 -4.215 -1.289) 4.437 11.781 ( 0.908 5.574 0.703) 5.691 12.496 ( -0.738 -18.708 -4.389) 19.230 13.190 ( -0.160 5.007 -7.159) 8.738 13.479 ( -0.006 2.595 6.771) 7.252 14.155 ( -6.669 -6.846 4.025) 10.371 14.958 ( 3.695 -2.949 -11.232) 12.186 15.642 ( 7.299 3.785 12.287) 14.784 17.351 ( -5.762 0.248 3.207) 6.599 17.851 ( -0.257 0.695 0.282) 0.793 ======================= Grid point 185 (75/320) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -6.776 24.378 17.663) 30.858 2.710 ( -16.453 25.253 1.559) 30.180 3.020 ( 15.818 15.288 1.214) 22.032 3.554 ( 2.012 1.004 -1.909) 2.950 4.456 ( -3.926 -6.046 1.765) 7.422 4.579 ( -2.403 -1.008 12.955) 13.214 5.067 ( -2.135 9.008 -9.468) 13.242 5.377 ( 1.822 7.322 3.926) 8.505 5.682 ( 0.126 6.016 6.353) 8.751 5.915 ( -1.596 15.758 -6.310) 17.049 6.331 ( 4.633 13.542 7.921) 16.359 6.654 ( 2.155 -5.846 -8.419) 10.474 6.765 ( 1.575 3.462 -5.536) 6.717 7.308 ( 1.384 -17.180 -0.401) 17.240 7.569 ( -0.784 14.431 6.283) 15.759 7.882 ( -1.154 -2.672 0.729) 3.001 8.127 ( -3.884 10.277 -1.432) 11.079 8.162 ( 3.449 -1.050 -0.949) 3.728 8.546 ( -1.874 4.179 3.971) 6.061 9.202 ( 1.049 -1.798 -2.549) 3.291 9.422 ( -0.809 -1.121 -2.970) 3.276 10.220 ( -1.380 -16.376 -0.208) 16.435 10.956 ( 0.098 3.750 2.669) 4.603 11.455 ( -0.438 1.289 -2.288) 2.662 11.745 ( -0.534 -1.476 -1.887) 2.455 12.705 ( -6.546 -5.982 -16.274) 18.533 13.127 ( 3.446 -0.936 0.176) 3.576 13.475 ( 1.435 0.582 7.240) 7.404 14.188 ( -11.228 -3.782 -5.171) 12.927 14.929 ( -1.211 3.024 -10.704) 11.189 15.809 ( 19.920 -5.984 17.180) 26.977 17.322 ( -9.075 -1.747 6.237) 11.149 17.851 ( 0.300 -0.408 0.406) 0.649 ======================= Grid point 186 (76/320) ======================= q-point: (-0.08 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -3.849 25.219 16.234) 30.238 2.070 ( -15.180 30.102 8.964) 34.884 2.767 ( 21.661 26.827 3.360) 34.644 3.519 ( 0.962 3.055 -3.565) 4.792 4.523 ( -6.926 -3.695 5.916) 9.830 4.574 ( -1.955 1.294 6.856) 7.246 4.871 ( -0.442 6.898 -10.062) 12.207 5.288 ( 1.244 4.335 6.392) 7.823 5.555 ( -1.047 9.532 1.857) 9.768 5.696 ( -0.250 5.704 1.985) 6.045 6.185 ( 4.925 7.885 6.579) 11.389 6.574 ( -2.986 14.211 -2.587) 14.750 6.785 ( 4.004 -6.755 -7.283) 10.710 7.250 ( -5.980 16.110 7.756) 18.853 7.559 ( -2.114 -9.176 -1.765) 9.581 7.818 ( 2.354 14.611 -3.073) 15.115 7.921 ( 0.095 5.725 -2.717) 6.338 8.226 ( 4.363 -3.410 -3.561) 6.583 8.512 ( -4.282 -0.403 6.724) 7.982 9.303 ( 0.888 -10.137 -4.723) 11.218 9.436 ( -2.025 -1.529 -1.236) 2.822 10.493 ( -1.158 -13.547 -0.705) 13.615 10.912 ( 0.811 1.168 2.442) 2.825 11.392 ( -1.756 3.439 -3.390) 5.138 11.765 ( -2.995 -1.588 -3.683) 5.006 12.502 ( -12.498 12.097 -28.738) 33.592 13.259 ( 5.361 -5.810 3.339) 8.582 13.513 ( 2.327 -1.036 5.646) 6.194 14.084 ( -13.891 1.363 -14.696) 20.268 14.818 ( -3.599 4.091 -2.178) 5.868 16.245 ( 27.430 -15.739 18.032) 36.405 17.300 ( -11.384 -2.105 8.371) 14.286 17.867 ( 1.822 -0.174 0.609) 1.929 ======================= Grid point 190 (77/320) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 16.300 -0.000 27.852) 32.271 2.086 ( 29.005 -0.000 10.123) 30.721 2.946 ( 37.543 -0.000 10.893) 39.091 3.425 ( -0.219 0.000 -0.352) 0.415 4.225 ( -16.061 0.000 8.549) 18.195 4.598 ( -1.937 0.000 -2.510) 3.171 4.842 ( -4.394 0.000 -4.019) 5.955 4.927 ( 1.175 -0.000 -6.588) 6.692 5.229 ( -2.751 0.000 3.466) 4.425 5.563 ( -8.142 0.000 4.797) 9.451 5.676 ( -1.247 0.000 8.258) 8.352 5.740 ( 3.338 -0.000 10.238) 10.768 6.503 ( -4.922 0.000 -7.848) 9.264 7.146 ( 0.634 -0.000 -0.842) 1.054 7.283 ( -5.517 0.000 -3.140) 6.347 7.364 ( -6.230 0.000 -1.752) 6.472 7.499 ( 0.841 -0.000 -3.026) 3.141 8.077 ( -7.860 0.000 -10.605) 13.201 8.471 ( -7.822 0.000 14.171) 16.186 9.565 ( 1.066 -0.000 -4.340) 4.469 9.782 ( 6.670 -0.000 -0.602) 6.697 9.869 ( 3.688 -0.000 -6.603) 7.563 10.905 ( 0.283 -0.000 0.885) 0.929 11.248 ( -0.174 0.000 -0.362) 0.402 11.435 ( 7.484 -0.000 -0.583) 7.507 11.637 ( -1.094 0.000 -0.662) 1.279 13.394 ( -6.655 0.000 -8.442) 10.750 13.677 ( 2.546 -0.000 0.579) 2.611 13.706 ( 5.105 -0.000 4.016) 6.495 14.573 ( -5.895 0.000 3.378) 6.794 16.724 ( -20.754 0.000 26.167) 33.398 18.009 ( 5.108 -0.000 2.927) 5.887 18.233 ( 15.500 -0.000 -25.831) 30.125 ======================= Grid point 191 (78/320) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 29.156 16.474 8.805) 34.626 2.239 ( 14.117 -2.614 26.169) 29.848 3.343 ( 18.275 -3.220 1.883) 18.651 3.436 ( 6.646 -4.392 -1.167) 8.051 4.132 ( -15.165 -1.579 8.057) 17.245 4.539 ( -0.284 2.005 -0.794) 2.176 4.841 ( 1.052 0.463 -0.853) 1.431 5.008 ( -4.199 -12.115 -5.925) 14.124 5.251 ( -3.308 -3.804 2.363) 5.567 5.453 ( -4.754 1.671 7.497) 9.033 5.754 ( -0.126 -8.434 -2.747) 8.871 6.032 ( -5.386 -19.258 16.352) 25.832 6.439 ( 0.129 1.679 -4.051) 4.387 7.141 ( -0.452 -1.120 -4.970) 5.115 7.306 ( -8.293 -5.713 -4.928) 11.211 7.391 ( 2.452 -5.392 -6.411) 8.728 7.629 ( -0.310 -13.977 3.771) 14.480 8.003 ( -8.579 -2.961 -8.027) 12.116 8.437 ( -7.307 1.141 13.616) 15.495 9.494 ( 1.627 5.585 -4.654) 7.450 9.728 ( 3.635 11.581 -4.467) 12.934 10.062 ( -0.004 -18.003 -2.881) 18.232 10.861 ( 0.786 5.289 0.850) 5.414 11.255 ( -0.834 7.490 0.649) 7.564 11.311 ( 0.813 1.345 -1.424) 2.121 11.820 ( 5.076 -11.162 -0.543) 12.274 13.321 ( -5.949 0.361 -7.381) 9.486 13.690 ( 2.181 0.252 -0.101) 2.198 13.762 ( 4.522 -0.398 3.968) 6.029 14.538 ( -4.922 -0.010 2.406) 5.478 16.620 ( -17.440 2.248 22.469) 28.532 18.035 ( 7.133 3.127 0.959) 7.847 18.212 ( 10.974 5.608 -18.823) 22.498 ======================= Grid point 192 (79/320) ======================= q-point: ( 0.42 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 24.437 6.115 6.794) 26.091 2.504 ( 12.056 -8.013 22.117) 26.433 3.361 ( 1.961 1.310 -2.587) 3.500 3.583 ( 2.831 -3.351 -4.262) 6.117 4.080 ( -15.586 -2.695 7.463) 17.489 4.504 ( -1.985 2.865 3.986) 5.296 4.828 ( 3.215 1.596 -4.880) 6.058 5.277 ( -0.059 -10.196 4.626) 11.196 5.339 ( -2.143 -10.837 4.600) 11.967 5.546 ( 2.756 -13.662 -4.152) 14.542 5.910 ( -2.905 -10.426 -1.478) 10.924 6.328 ( -7.034 -10.675 9.103) 15.693 6.514 ( 2.519 -10.812 5.635) 12.450 7.145 ( -3.039 -3.594 -6.487) 8.014 7.283 ( 3.043 4.329 -6.625) 8.479 7.566 ( -5.243 -13.194 -4.638) 14.936 7.894 ( -0.577 -10.302 -0.141) 10.319 8.116 ( -1.814 -17.166 -2.281) 17.412 8.395 ( -5.622 1.120 11.149) 12.536 9.355 ( -0.197 9.217 -3.256) 9.777 9.476 ( 2.010 14.981 -2.746) 15.363 10.398 ( -4.016 -18.494 -2.622) 19.106 10.744 ( 1.282 6.584 0.987) 6.780 11.038 ( -3.850 9.308 0.489) 10.085 11.376 ( 0.873 -3.756 -2.605) 4.653 12.041 ( 5.574 -7.348 0.548) 9.239 13.255 ( -4.813 0.130 -5.725) 7.480 13.708 ( 2.535 -0.435 -0.626) 2.648 13.803 ( 2.872 0.243 2.913) 4.097 14.514 ( -3.402 -0.443 1.831) 3.889 16.483 ( -14.665 4.816 17.886) 23.626 17.988 ( 11.370 9.263 -5.920) 15.815 18.143 ( 4.044 3.751 -6.340) 8.404 ======================= Grid point 193 (80/320) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 15.875 -4.316 3.792) 16.882 2.841 ( 9.475 -12.883 20.096) 25.682 3.350 ( 0.893 0.200 -3.577) 3.692 3.670 ( -3.523 -8.532 -2.960) 9.694 4.033 ( -15.073 -3.307 7.395) 17.112 4.415 ( -4.137 5.039 6.735) 9.373 4.814 ( 2.144 0.376 -6.363) 6.725 5.356 ( -3.603 -4.700 2.334) 6.365 5.599 ( 3.554 -12.126 3.006) 12.989 5.844 ( 0.887 -11.510 -1.259) 11.612 6.150 ( 0.100 -15.726 -4.713) 16.417 6.454 ( -3.017 -5.825 5.584) 8.615 6.787 ( 4.486 -13.993 3.442) 15.092 7.115 ( -0.480 7.359 -9.249) 11.829 7.324 ( 2.737 -12.051 1.655) 12.469 7.690 ( -12.710 -9.833 -4.840) 16.783 8.038 ( 2.657 -1.325 2.102) 3.638 8.396 ( -3.953 -5.052 7.766) 10.073 8.453 ( 6.201 -13.144 -2.949) 14.829 9.123 ( -4.439 12.751 0.067) 13.502 9.262 ( 1.192 6.473 -1.953) 6.866 10.467 ( 1.855 9.766 0.382) 9.948 10.826 ( -1.701 -7.619 1.784) 8.008 10.918 ( -6.507 -8.584 -1.160) 10.834 11.425 ( 1.189 -1.107 -2.417) 2.912 12.168 ( 3.794 -1.845 2.072) 4.700 13.224 ( -2.614 -1.589 -4.518) 5.457 13.747 ( 2.397 -1.986 -0.966) 3.260 13.805 ( 0.993 2.040 2.459) 3.346 14.519 ( -1.600 -1.946 1.448) 2.906 16.306 ( -12.018 7.315 12.816) 19.032 17.850 ( 9.738 11.720 -7.217) 16.861 18.094 ( 1.433 3.342 -0.445) 3.663 ======================= Grid point 194 (81/320) ======================= q-point: ( 0.58 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 8.564 -10.054 2.248) 13.397 3.198 ( 3.315 -11.681 21.461) 24.658 3.350 ( 1.163 -1.026 -3.478) 3.808 3.798 ( -5.249 -7.248 -1.785) 9.125 4.020 ( -9.901 -4.002 7.291) 12.931 4.314 ( -4.670 3.252 7.521) 9.431 4.839 ( 2.936 -3.755 -4.143) 6.315 5.452 ( 0.899 -6.440 -0.708) 6.541 5.849 ( -1.740 -11.890 2.815) 12.342 6.027 ( 4.584 -8.489 -1.074) 9.707 6.314 ( -4.863 -5.573 -10.568) 12.899 6.527 ( -5.253 -5.729 3.680) 8.600 6.879 ( 0.562 12.027 -8.156) 14.543 7.153 ( 12.460 -9.157 4.873) 16.213 7.611 ( -1.552 -14.120 1.639) 14.299 7.785 ( -6.495 -8.287 -1.230) 10.600 7.983 ( -0.260 1.939 -2.589) 3.245 8.488 ( 1.243 -2.170 4.515) 5.162 8.629 ( 2.764 0.477 2.957) 4.076 8.898 ( -6.798 2.809 -0.467) 7.370 9.280 ( 2.628 -6.504 -2.559) 7.467 10.232 ( 2.283 16.147 1.388) 16.366 10.837 ( -3.200 -2.884 1.783) 4.662 11.251 ( -2.969 -21.444 -1.533) 21.703 11.429 ( 1.958 0.585 0.681) 2.154 12.178 ( 1.617 3.670 3.205) 5.134 13.249 ( 0.319 -2.908 -4.456) 5.331 13.740 ( -1.718 3.757 -0.395) 4.150 13.829 ( 1.982 -3.446 3.701) 5.431 14.579 ( 0.197 -4.893 0.480) 4.921 16.098 ( -9.120 8.847 8.187) 15.115 17.680 ( 5.610 10.868 -4.679) 13.095 18.030 ( 0.682 4.323 0.493) 4.404 ======================= Grid point 195 (82/320) ======================= q-point: (-0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 1.971 -11.748 0.518) 11.924 3.259 ( -6.880 3.685 7.403) 10.757 3.481 ( 3.137 -3.934 13.932) 14.813 3.789 ( -1.473 5.089 -0.017) 5.298 4.090 ( -2.796 -6.796 5.803) 9.363 4.294 ( -3.895 -3.170 7.615) 9.122 4.996 ( 3.683 -9.825 -1.599) 10.613 5.574 ( 1.557 -4.125 -1.409) 4.629 6.020 ( -4.147 -10.115 1.760) 11.073 6.229 ( 4.289 -7.179 -4.492) 9.493 6.325 ( -3.537 -4.461 -11.363) 12.709 6.501 ( -0.500 8.403 -7.419) 11.221 6.742 ( -0.216 -1.883 4.352) 4.747 7.234 ( 2.615 6.648 3.140) 7.804 7.663 ( 3.905 10.619 -1.879) 11.469 7.842 ( -5.375 -9.641 5.116) 12.166 8.118 ( 0.477 -3.017 -2.572) 3.993 8.520 ( 2.567 -8.533 0.967) 8.963 8.683 ( -3.903 -6.005 4.627) 8.527 8.859 ( -1.416 0.587 -1.907) 2.447 9.437 ( 3.034 -6.248 -3.356) 7.714 9.944 ( 1.062 15.313 2.914) 15.624 10.913 ( -1.262 -6.071 1.336) 6.343 11.362 ( -1.245 1.252 -1.909) 2.600 11.696 ( 0.843 -21.496 1.770) 21.585 12.088 ( 1.529 7.482 4.220) 8.725 13.287 ( 1.851 -0.902 -6.078) 6.418 13.635 ( -2.717 5.097 1.072) 5.874 13.929 ( -0.624 -4.889 6.328) 8.021 14.707 ( 1.749 -7.900 -1.705) 8.269 15.893 ( -5.683 8.374 5.766) 11.648 17.518 ( 2.072 8.522 -1.970) 8.989 17.951 ( 0.067 4.329 0.440) 4.352 ======================= Grid point 196 (83/320) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -9.863 -3.472 -3.514) 11.031 3.099 ( -7.035 8.678 12.998) 17.139 3.531 ( 0.879 3.676 6.701) 7.693 3.655 ( 11.917 10.830 5.904) 17.151 4.207 ( -5.648 -7.000 4.371) 10.001 4.412 ( 0.961 -6.882 9.329) 11.633 5.173 ( 0.974 -5.694 -1.618) 5.999 5.580 ( -0.323 2.870 -2.205) 3.634 6.093 ( -0.093 11.144 -1.727) 11.277 6.268 ( -2.946 -7.292 -6.011) 9.899 6.349 ( -3.785 -7.435 -6.399) 10.515 6.507 ( 6.788 -5.533 -8.785) 12.405 6.790 ( 2.122 0.832 4.979) 5.476 7.064 ( -1.328 10.308 3.598) 10.999 7.581 ( 3.689 -0.804 -3.286) 5.005 7.896 ( -1.758 1.093 2.732) 3.428 8.076 ( -4.692 1.274 8.894) 10.136 8.634 ( -2.651 7.390 -5.195) 9.415 8.850 ( -1.227 -0.164 0.879) 1.518 8.855 ( 5.307 -13.786 0.779) 14.793 9.497 ( 3.056 0.770 -5.079) 5.977 9.775 ( -1.804 1.123 3.660) 4.232 11.008 ( 0.034 -2.856 0.979) 3.019 11.351 ( -0.784 -2.485 -0.277) 2.621 11.903 ( -5.204 4.381 -0.147) 6.804 12.151 ( 6.608 -15.930 2.227) 17.390 13.256 ( 0.815 3.430 -7.386) 8.184 13.542 ( -1.563 3.143 3.517) 4.968 14.019 ( -3.912 -4.463 5.694) 8.225 14.860 ( 1.429 -6.890 -5.364) 8.848 15.761 ( -0.707 3.818 8.344) 9.203 17.391 ( -0.040 5.537 0.302) 5.545 17.883 ( -0.182 2.772 0.320) 2.796 ======================= Grid point 197 (84/320) ======================= q-point: (-0.17 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -8.875 15.231 5.538) 18.477 2.881 ( -15.543 11.358 7.035) 20.495 3.429 ( 10.631 11.148 3.324) 15.759 3.641 ( 13.204 5.366 4.063) 14.820 4.297 ( -7.199 -7.027 4.033) 10.838 4.552 ( 0.354 -3.942 10.157) 10.901 5.172 ( -0.892 4.698 -6.496) 8.066 5.502 ( -0.521 3.968 0.384) 4.021 5.853 ( 0.517 11.567 2.405) 11.826 6.185 ( -1.923 12.972 -3.865) 13.672 6.432 ( -4.061 -6.173 -12.151) 14.221 6.622 ( 5.759 1.814 3.071) 6.774 6.852 ( 2.118 2.056 -0.983) 3.111 6.979 ( 0.447 -11.040 2.432) 11.313 7.645 ( 0.186 -2.299 -3.716) 4.374 7.935 ( 2.542 -4.369 1.066) 5.166 8.026 ( -5.716 2.282 12.081) 13.559 8.399 ( -0.553 13.327 -3.384) 13.761 8.708 ( 0.012 10.849 2.290) 11.088 9.122 ( 1.906 -8.729 -1.322) 9.032 9.441 ( 0.663 4.526 -5.608) 7.237 9.909 ( -1.534 -14.225 0.515) 14.317 11.014 ( -0.374 1.752 2.196) 2.834 11.425 ( -0.296 -3.948 -1.104) 4.110 11.762 ( -3.245 5.051 -0.144) 6.006 12.462 ( -0.357 -12.316 -6.975) 14.158 13.173 ( 2.116 3.082 -3.488) 5.113 13.514 ( 0.422 0.820 5.078) 5.161 14.048 ( -7.595 -2.269 -0.705) 7.958 14.914 ( -2.145 -0.684 -7.439) 7.772 15.828 ( 5.871 -5.987 14.632) 16.864 17.313 ( -0.460 2.927 1.597) 3.366 17.854 ( 0.432 0.443 0.485) 0.786 ======================= Grid point 198 (85/320) ======================= q-point: (-0.08 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -6.397 21.430 5.825) 23.111 2.476 ( -10.563 21.912 13.209) 27.680 3.297 ( 12.818 13.620 0.721) 18.716 3.622 ( 9.581 7.008 -0.873) 11.902 4.379 ( -7.250 -6.534 4.553) 10.770 4.603 ( -3.027 0.376 9.760) 10.225 5.003 ( 0.771 9.211 -10.108) 13.697 5.416 ( 0.489 5.787 2.986) 6.530 5.703 ( -2.011 6.412 5.424) 8.635 5.881 ( 0.433 14.635 -0.063) 14.642 6.391 ( -1.441 6.843 3.176) 7.680 6.645 ( 2.517 -0.654 -9.502) 9.851 6.759 ( 1.388 3.914 -1.350) 4.367 7.279 ( -4.210 -14.980 -0.751) 15.579 7.593 ( -1.601 12.539 8.757) 15.378 7.871 ( -1.576 0.420 0.253) 1.650 8.088 ( 1.884 6.524 -2.488) 7.232 8.224 ( 4.140 -1.127 -1.899) 4.692 8.541 ( -1.234 6.437 3.632) 7.493 9.199 ( 0.232 -1.455 -1.945) 2.440 9.382 ( -1.990 -0.746 -4.270) 4.770 10.198 ( -0.941 -16.418 -1.177) 16.487 10.968 ( -0.725 3.179 3.164) 4.543 11.426 ( -1.770 2.282 -1.880) 3.446 11.701 ( -3.239 -0.830 -2.924) 4.442 12.490 ( -8.313 2.179 -18.275) 20.195 13.218 ( 6.422 -3.928 2.930) 8.079 13.535 ( 1.844 -0.381 5.349) 5.671 13.977 ( -10.196 0.992 -8.676) 13.424 14.841 ( -5.171 2.913 -3.472) 6.876 16.129 ( 7.513 -14.750 19.379) 25.487 17.283 ( 2.200 1.220 0.485) 2.562 17.872 ( 1.993 -0.997 0.792) 2.366 ======================= Grid point 203 (86/320) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 13.601 -0.000 24.024) 27.607 2.541 ( 23.299 -0.000 5.990) 24.057 3.413 ( -0.809 0.000 -0.877) 1.193 3.498 ( 26.976 -0.000 2.261) 27.071 4.017 ( -14.675 0.000 7.134) 16.317 4.565 ( -1.178 0.000 -0.746) 1.394 4.723 ( -6.663 0.000 -4.225) 7.890 4.934 ( 3.028 -0.000 -5.864) 6.600 5.185 ( -3.892 0.000 0.329) 3.905 5.468 ( -6.581 0.000 3.095) 7.273 5.642 ( -7.880 0.000 7.899) 11.158 5.861 ( 4.442 -0.000 9.773) 10.735 6.452 ( 3.310 -0.000 -5.590) 6.497 7.052 ( -8.330 0.000 -5.396) 9.925 7.124 ( -10.864 0.000 -5.279) 12.079 7.395 ( 7.958 -0.000 0.149) 7.959 7.523 ( 1.925 -0.000 2.341) 3.031 7.880 ( -10.605 0.000 -7.392) 12.927 8.427 ( -7.590 0.000 14.839) 16.668 9.558 ( 1.359 -0.000 -4.883) 5.068 9.868 ( 5.239 -0.000 -2.533) 5.819 9.911 ( 4.326 -0.000 -2.492) 4.993 10.919 ( 0.896 -0.000 0.883) 1.258 11.239 ( -0.690 0.000 -0.414) 0.805 11.482 ( -1.062 0.000 0.566) 1.203 11.684 ( 6.471 -0.000 1.681) 6.685 13.267 ( -4.154 0.000 -6.529) 7.738 13.705 ( 1.506 -0.000 -0.369) 1.551 13.799 ( 3.117 -0.000 3.686) 4.827 14.510 ( -3.746 0.000 2.050) 4.271 16.566 ( -15.698 0.000 19.301) 24.879 18.110 ( 5.497 -0.000 3.028) 6.275 18.299 ( 9.253 -0.000 -19.430) 21.521 ======================= Grid point 204 (87/320) ======================= q-point: ( 0.42 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 18.455 10.400 7.645) 22.521 2.574 ( 13.577 2.441 18.490) 23.069 3.394 ( -0.016 1.195 -1.764) 2.131 3.616 ( 6.048 3.428 -2.954) 7.554 3.947 ( -12.213 -0.255 5.745) 13.499 4.542 ( -0.169 1.352 1.680) 2.163 4.852 ( 1.332 -7.449 -0.475) 7.583 4.967 ( 2.465 -11.623 -5.635) 13.150 5.203 ( -3.868 -4.680 0.802) 6.124 5.413 ( -3.605 -1.091 3.151) 4.911 5.690 ( -5.614 -8.862 -1.939) 10.668 6.055 ( -2.456 -12.144 14.769) 19.278 6.490 ( 7.820 -1.583 -2.438) 8.342 6.988 ( -12.607 -2.968 -9.487) 16.055 7.186 ( -3.189 -13.307 -4.497) 14.403 7.445 ( 6.459 1.743 -4.592) 8.115 7.672 ( 1.558 -12.415 6.806) 14.243 7.829 ( -8.353 -6.417 -4.923) 11.627 8.402 ( -6.745 0.808 14.771) 16.259 9.496 ( 2.061 5.862 -4.756) 7.825 9.770 ( 3.713 12.844 -2.839) 13.668 10.064 ( 1.190 -12.856 -0.752) 12.933 10.883 ( 1.359 4.866 0.826) 5.120 11.228 ( -2.632 8.464 0.469) 8.876 11.319 ( 0.762 1.832 -0.351) 2.015 11.911 ( 5.403 -11.288 2.607) 12.783 13.221 ( -2.389 0.592 -4.757) 5.357 13.714 ( 1.315 -0.078 -0.926) 1.610 13.828 ( 1.415 -0.251 2.420) 2.814 14.493 ( -2.295 -0.134 2.089) 3.106 16.477 ( -14.217 2.073 15.454) 21.101 18.146 ( 4.936 1.345 2.423) 5.661 18.259 ( 8.000 6.163 -15.015) 18.095 ======================= Grid point 205 (88/320) ======================= q-point: ( 0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 13.820 8.947 1.309) 16.515 2.772 ( 7.234 -7.024 19.927) 22.332 3.365 ( 0.717 1.319 -3.005) 3.359 3.569 ( 0.130 0.332 -2.210) 2.238 3.868 ( -15.086 -2.394 5.246) 16.150 4.493 ( -2.051 3.719 4.928) 6.506 4.852 ( 3.081 2.451 -3.533) 5.290 5.246 ( -4.492 -5.333 3.340) 7.731 5.370 ( -0.686 -14.882 4.131) 15.460 5.577 ( 5.245 -17.206 -8.540) 19.912 5.856 ( -1.062 -13.421 -4.105) 14.075 6.267 ( -8.781 -10.128 12.736) 18.490 6.644 ( 10.497 -7.890 -0.317) 13.136 6.964 ( -11.585 -8.326 -8.614) 16.665 7.348 ( 6.569 1.043 -4.482) 8.020 7.451 ( -4.859 -4.991 -3.926) 7.996 7.894 ( 0.369 -13.115 0.273) 13.123 8.102 ( -0.544 -21.509 2.466) 21.657 8.379 ( -4.138 0.464 12.469) 13.146 9.344 ( 1.059 11.069 -3.216) 11.575 9.496 ( 1.781 16.176 -1.527) 16.345 10.359 ( -0.621 -17.329 0.856) 17.361 10.778 ( 2.090 7.017 0.662) 7.351 10.982 ( -3.495 10.784 1.261) 11.406 11.383 ( 1.365 -3.765 -1.617) 4.319 12.128 ( 3.834 -6.693 3.752) 8.578 13.190 ( -0.306 0.265 -2.949) 2.977 13.726 ( 0.782 -0.837 -2.335) 2.601 13.839 ( 0.225 0.357 1.559) 1.615 14.493 ( -0.896 -0.641 2.473) 2.707 16.348 ( -12.852 4.316 11.085) 17.513 18.119 ( 7.414 9.660 -8.633) 14.927 18.156 ( 3.101 3.249 0.115) 4.493 ======================= Grid point 206 (89/320) ======================= q-point: ( 0.58 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 3.107 -1.747 -0.926) 3.683 3.040 ( 0.468 -11.870 20.177) 23.414 3.346 ( 1.713 0.305 -3.463) 3.875 3.640 ( 1.984 -6.683 1.081) 7.055 3.854 ( -10.370 -5.502 5.197) 12.838 4.406 ( -2.071 5.460 8.339) 10.180 4.834 ( 3.866 0.936 -3.252) 5.138 5.329 ( -1.548 -6.430 1.496) 6.781 5.596 ( -5.391 -12.562 2.472) 13.892 5.887 ( 7.472 -11.804 -6.328) 15.336 6.112 ( -1.057 -11.699 -7.405) 13.886 6.356 ( -9.832 -6.616 5.360) 13.006 6.897 ( -3.030 -10.476 -7.775) 13.393 7.081 ( 9.056 -7.246 -3.192) 12.029 7.385 ( -1.232 -9.830 2.949) 10.337 7.485 ( -3.517 -3.652 -3.936) 6.419 8.106 ( 3.235 -1.720 4.513) 5.813 8.375 ( -4.496 -6.322 8.803) 11.733 8.523 ( 4.040 -16.201 -1.442) 16.759 9.068 ( -2.291 17.006 -0.202) 17.161 9.277 ( 1.744 6.105 -0.991) 6.426 10.506 ( 2.126 8.431 2.422) 9.026 10.801 ( -3.473 -3.375 -0.699) 4.893 10.865 ( 0.862 -10.854 2.878) 11.262 11.442 ( 2.047 -1.407 -0.758) 2.597 12.232 ( 1.889 -0.838 4.848) 5.270 13.202 ( 2.129 -1.619 -2.183) 3.453 13.737 ( -1.536 -0.810 -3.696) 4.084 13.832 ( 0.595 0.521 2.233) 2.369 14.521 ( 0.096 -2.064 2.623) 3.339 16.178 ( -11.099 6.185 6.656) 14.344 17.935 ( 5.178 12.207 -6.388) 14.718 18.115 ( 1.795 4.002 1.240) 4.558 ======================= Grid point 207 (90/320) ======================= q-point: (-0.33 -0.67 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -4.807 -9.653 -1.319) 10.864 3.226 ( -8.466 -4.190 12.377) 15.570 3.419 ( 2.450 -6.766 6.548) 9.729 3.801 ( 5.565 -5.305 2.492) 8.082 3.944 ( -2.128 -7.558 5.971) 9.865 4.321 ( -0.720 4.179 9.705) 10.591 4.883 ( 4.349 -3.994 -1.063) 5.999 5.466 ( 0.915 -7.593 -0.987) 7.712 5.785 ( -5.699 -12.115 1.371) 13.458 6.100 ( -0.262 -5.078 -6.291) 8.089 6.192 ( 1.933 -6.667 -9.470) 11.741 6.463 ( -3.602 -7.687 0.312) 8.495 6.821 ( -2.437 7.305 -7.812) 10.970 7.296 ( -0.638 -3.996 3.681) 5.470 7.539 ( -5.654 -13.335 -5.168) 15.378 7.760 ( 6.201 -16.303 2.999) 17.699 8.021 ( 4.370 8.483 0.349) 9.549 8.503 ( -3.730 -7.724 8.717) 12.230 8.691 ( 2.613 14.749 0.433) 14.985 8.811 ( -2.480 -5.668 -1.057) 6.277 9.312 ( 2.867 -6.735 -1.424) 7.457 10.274 ( 1.380 16.320 2.843) 16.623 10.812 ( -1.016 -3.615 1.565) 4.068 11.216 ( -0.406 -16.935 -1.018) 16.970 11.483 ( 3.251 -2.641 2.630) 4.945 12.226 ( 1.745 3.953 6.054) 7.438 13.259 ( 3.380 -2.238 -3.592) 5.417 13.685 ( -3.688 2.923 -2.635) 5.393 13.871 ( 0.627 -3.002 4.161) 5.169 14.593 ( 0.649 -4.913 1.596) 5.207 15.990 ( -8.741 6.782 3.274) 11.538 17.727 ( 3.014 11.723 -3.272) 12.538 18.041 ( 0.386 4.963 0.705) 5.028 ======================= Grid point 208 (91/320) ======================= q-point: (-0.25 -0.67 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -10.870 -9.567 -2.713) 14.733 3.198 ( -6.890 2.819 10.284) 12.696 3.555 ( -2.459 -3.722 10.644) 11.541 3.905 ( 11.110 1.732 3.363) 11.737 4.077 ( -0.738 -3.791 8.323) 9.175 4.346 ( 3.738 -3.986 8.774) 10.337 5.035 ( 2.051 -8.363 0.139) 8.612 5.571 ( -1.099 -2.646 -2.166) 3.592 5.984 ( -1.195 -11.852 -1.531) 12.010 6.108 ( -6.242 -6.864 -11.016) 14.403 6.327 ( 0.681 0.245 -3.398) 3.474 6.493 ( 6.471 1.092 -10.581) 12.451 6.746 ( -1.957 -3.243 4.504) 5.885 7.232 ( -4.466 6.874 1.536) 8.340 7.712 ( 3.155 7.894 -1.076) 8.569 7.786 ( -4.350 -9.734 3.447) 11.206 8.128 ( 2.391 0.844 -2.068) 3.272 8.509 ( -4.405 -4.167 1.570) 6.264 8.676 ( -0.959 -10.283 4.719) 11.355 8.876 ( 4.991 0.142 -1.735) 5.286 9.464 ( 2.354 -5.654 -2.634) 6.667 9.976 ( 0.599 16.202 3.981) 16.694 10.919 ( 1.031 -6.546 1.557) 6.807 11.331 ( -1.272 -0.157 -1.323) 1.842 11.701 ( -1.190 -14.202 0.637) 14.266 12.181 ( 6.039 4.158 7.701) 10.633 13.286 ( 2.082 0.780 -6.585) 6.950 13.588 ( -3.263 3.313 -0.244) 4.657 13.949 ( -1.040 -3.237 6.778) 7.583 14.719 ( 0.564 -7.438 -1.011) 7.528 15.829 ( -5.704 4.571 3.168) 7.966 17.541 ( 1.816 9.317 -0.974) 9.542 17.950 ( -0.521 4.525 0.310) 4.565 ======================= Grid point 209 (92/320) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -13.437 -1.835 -3.744) 14.069 3.070 ( -5.428 9.574 15.212) 18.776 3.570 ( -1.221 2.528 5.986) 6.612 3.948 ( 16.318 5.860 4.133) 17.824 4.139 ( -3.629 -3.534 7.958) 9.433 4.503 ( 3.260 -5.127 8.336) 10.315 5.168 ( 0.406 -3.804 -1.271) 4.031 5.525 ( -5.628 2.393 -4.898) 7.835 6.094 ( 1.046 9.423 -2.149) 9.721 6.160 ( -1.297 -8.128 -10.541) 13.374 6.312 ( -0.585 -5.377 0.055) 5.409 6.564 ( 6.110 -5.370 -8.316) 11.633 6.811 ( -3.351 -2.186 5.719) 6.980 7.050 ( -1.704 7.835 1.077) 8.090 7.633 ( 4.602 1.840 -3.427) 6.026 7.888 ( -0.923 -1.388 2.664) 3.142 8.041 ( -5.453 1.286 8.602) 10.265 8.542 ( -4.169 2.240 -4.539) 6.557 8.823 ( -2.167 -1.556 2.374) 3.571 8.980 ( 7.984 -7.100 -0.894) 10.722 9.508 ( 1.569 1.573 -4.881) 5.363 9.776 ( -0.454 3.424 3.435) 4.871 11.025 ( 1.203 -1.911 1.101) 2.512 11.339 ( -0.815 -3.230 0.670) 3.397 11.799 ( -6.462 0.241 -0.863) 6.524 12.283 ( 7.111 -6.466 2.195) 9.859 13.234 ( 1.218 3.104 -5.926) 6.800 13.534 ( -1.297 0.738 2.240) 2.692 13.986 ( -3.402 -0.517 4.344) 5.541 14.833 ( -1.386 -4.651 -3.916) 6.236 15.787 ( -1.875 -2.722 8.189) 8.831 17.410 ( 2.062 6.086 0.106) 6.427 17.880 ( -0.332 2.276 0.304) 2.320 ======================= Grid point 210 (93/320) ======================= q-point: (-0.08 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -10.946 8.702 -2.233) 14.161 2.838 ( -2.326 16.440 18.902) 25.158 3.494 ( 0.209 5.584 0.670) 5.628 3.942 ( 17.628 10.759 2.766) 20.836 4.206 ( -7.155 -6.155 6.471) 11.444 4.595 ( -1.470 -1.491 7.761) 8.038 5.142 ( 2.028 6.365 -7.759) 10.239 5.445 ( -6.508 -1.017 -1.016) 6.665 5.875 ( 1.136 12.137 0.751) 12.213 6.167 ( 0.696 12.511 1.165) 12.585 6.336 ( -0.767 -6.806 -6.537) 9.468 6.700 ( 2.786 1.154 -0.143) 3.019 6.840 ( -1.844 -1.060 -2.712) 3.447 6.991 ( -0.448 -6.580 1.889) 6.861 7.634 ( 0.905 -1.265 -4.148) 4.430 7.974 ( -3.825 2.415 9.708) 10.710 8.015 ( 1.755 -6.467 3.076) 7.373 8.375 ( 0.156 10.823 -3.655) 11.424 8.715 ( -1.139 9.849 4.285) 10.802 9.141 ( 0.968 -5.218 -1.759) 5.591 9.420 ( 0.831 6.080 -6.713) 9.095 9.893 ( -0.521 -13.637 -0.189) 13.649 11.020 ( -0.560 2.212 2.286) 3.230 11.410 ( -1.375 -2.896 0.020) 3.206 11.700 ( -3.618 3.721 -0.555) 5.220 12.393 ( -3.003 -2.427 -9.543) 10.294 13.223 ( 5.036 -1.168 0.062) 5.170 13.543 ( 0.257 -0.971 3.680) 3.814 13.934 ( -5.423 2.588 -2.189) 6.396 14.831 ( -4.514 1.004 -3.512) 5.806 15.952 ( 0.067 -11.623 14.525) 18.603 17.349 ( 4.236 2.855 -0.867) 5.181 17.869 ( 1.097 -0.636 0.714) 1.455 ======================= Grid point 216 (94/320) ======================= q-point: ( 0.42 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 6.342 -0.000 19.703) 20.698 2.839 ( 11.429 -0.000 1.368) 11.511 3.391 ( -0.953 0.000 -1.703) 1.952 3.656 ( -6.620 0.000 -0.193) 6.622 3.994 ( 8.463 -0.000 3.074) 9.005 4.553 ( -0.146 0.000 -0.489) 0.510 4.626 ( -2.588 0.000 -2.146) 3.362 4.949 ( 2.613 -0.000 -5.302) 5.911 5.117 ( -3.980 0.000 -2.465) 4.682 5.393 ( -5.088 0.000 2.341) 5.601 5.539 ( -8.819 0.000 4.874) 10.076 5.971 ( 2.972 -0.000 9.949) 10.383 6.525 ( 8.493 -0.000 -7.074) 11.054 6.833 ( -12.024 0.000 -8.175) 14.540 6.999 ( -3.912 0.000 -0.491) 3.943 7.512 ( 6.776 -0.000 -4.207) 7.976 7.586 ( 2.418 -0.000 8.039) 8.395 7.698 ( -7.586 0.000 -4.206) 8.674 8.397 ( -6.521 0.000 16.294) 17.551 9.560 ( 2.102 -0.000 -3.906) 4.436 9.923 ( 3.897 -0.000 -3.121) 4.993 9.959 ( 2.596 -0.000 -0.950) 2.764 10.938 ( 0.843 -0.000 0.899) 1.232 11.224 ( -0.808 0.000 -0.326) 0.871 11.458 ( -1.529 0.000 0.534) 1.620 11.801 ( 5.232 -0.000 5.144) 7.337 13.209 ( 0.273 -0.000 -3.376) 3.387 13.721 ( 0.813 -0.000 -0.526) 0.968 13.832 ( -0.441 0.000 0.831) 0.941 14.484 ( -1.277 0.000 2.581) 2.880 16.426 ( -13.415 0.000 12.180) 18.119 18.180 ( 1.482 -0.000 -0.727) 1.651 18.357 ( 9.719 -0.000 -10.025) 13.962 ======================= Grid point 217 (95/320) ======================= q-point: ( 0.50 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.401 7.484 5.117) 9.075 2.799 ( 2.812 3.001 10.921) 11.669 3.379 ( -0.242 0.408 -2.540) 2.584 3.608 ( -1.663 0.150 0.038) 1.670 3.851 ( -2.592 11.640 2.652) 12.217 4.546 ( -0.381 2.066 2.392) 3.184 4.879 ( 2.176 -9.261 -1.172) 9.585 4.986 ( 2.488 -13.027 -5.767) 14.462 5.143 ( -4.188 -6.316 0.816) 7.623 5.380 ( -1.345 -4.023 -1.116) 4.386 5.593 ( -5.215 -10.677 -1.230) 11.946 6.092 ( -2.563 -6.672 12.712) 14.584 6.581 ( 0.659 -3.166 -9.898) 10.412 6.775 ( -2.096 -3.137 -2.836) 4.719 7.151 ( 1.309 -15.576 -3.237) 15.962 7.504 ( 3.666 3.632 -5.082) 7.243 7.672 ( -3.771 -7.035 -2.111) 8.256 7.778 ( 1.700 -12.484 7.456) 14.641 8.392 ( -4.708 0.335 16.518) 17.179 9.511 ( 2.772 5.964 -3.588) 7.492 9.800 ( 1.771 13.377 -2.617) 13.745 10.087 ( 1.712 -11.182 0.829) 11.343 10.905 ( 0.622 4.300 0.835) 4.424 11.194 ( -1.439 9.211 0.362) 9.330 11.332 ( 0.873 1.297 0.402) 1.614 11.998 ( 2.707 -10.719 5.596) 12.391 13.205 ( 2.620 0.801 -1.745) 3.249 13.719 ( 0.138 0.270 -1.527) 1.557 13.832 ( -1.368 -0.703 -0.252) 1.558 14.488 ( -0.492 -0.298 3.368) 3.417 16.332 ( -12.706 2.039 8.319) 15.324 18.166 ( -1.076 1.167 -3.802) 4.120 18.357 ( 10.611 6.211 -4.001) 12.930 ======================= Grid point 218 (96/320) ======================= q-point: (-0.42 -0.58 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -8.298 8.240 -4.439) 12.509 2.881 ( -8.214 -7.512 17.303) 20.574 3.361 ( 1.091 0.707 -3.147) 3.405 3.628 ( 7.728 0.721 1.609) 7.927 3.730 ( -3.848 -1.659 5.500) 6.915 4.500 ( -0.519 3.496 5.353) 6.415 4.892 ( 4.075 2.025 -2.044) 4.988 5.188 ( -5.180 -7.114 2.593) 9.174 5.330 ( -5.349 -12.006 0.348) 13.149 5.611 ( 5.933 -19.396 -11.494) 23.314 5.836 ( 0.411 -15.915 -3.850) 16.379 6.195 ( -8.529 -5.305 11.595) 15.341 6.584 ( -13.772 -8.097 -11.672) 19.785 6.943 ( 11.696 -9.580 -0.342) 15.122 7.389 ( 0.164 -1.006 -3.889) 4.020 7.440 ( 7.158 -0.524 -1.986) 7.447 7.902 ( 0.604 -18.315 -0.048) 18.325 8.108 ( -1.715 -19.105 4.918) 19.802 8.405 ( -1.415 -0.302 13.818) 13.894 9.354 ( 2.073 12.588 -2.247) 12.954 9.509 ( 0.918 16.021 -1.468) 16.114 10.383 ( 2.266 -17.233 3.254) 17.684 10.797 ( -0.615 7.290 0.592) 7.340 10.964 ( 0.814 10.662 1.938) 10.867 11.400 ( 1.616 -4.154 -0.800) 4.528 12.193 ( 1.079 -6.294 6.549) 9.147 13.216 ( 4.617 0.520 -0.683) 4.696 13.706 ( -1.341 -0.043 -3.408) 3.663 13.834 ( -1.087 -0.574 -0.379) 1.286 14.506 ( -0.055 -0.812 4.254) 4.331 16.197 ( -11.773 3.934 4.126) 13.081 18.092 ( -1.948 4.484 -5.725) 7.528 18.281 ( 8.678 9.112 0.796) 12.608 ======================= Grid point 219 (97/320) ======================= q-point: (-0.33 -0.58 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -12.734 -4.038 -3.519) 13.814 3.015 ( -16.100 -11.218 17.757) 26.464 3.368 ( 1.928 -1.344 -2.498) 3.430 3.744 ( 8.149 -5.985 3.924) 10.846 3.835 ( 4.380 -6.090 6.667) 10.037 4.436 ( -0.042 4.935 8.796) 10.086 4.900 ( 5.974 0.608 -0.995) 6.087 5.308 ( -2.663 -8.677 1.447) 9.191 5.499 ( -6.320 -12.436 -2.175) 14.119 5.971 ( 5.440 -12.297 -7.614) 15.452 6.048 ( 0.430 -7.686 -7.943) 11.062 6.258 ( -5.864 -8.330 3.786) 10.868 6.661 ( -15.543 -14.187 -9.726) 23.182 7.222 ( 5.177 -8.904 -4.582) 11.273 7.287 ( -2.972 1.278 -1.210) 3.454 7.626 ( 14.007 -8.301 2.948) 16.547 8.169 ( 1.121 -3.514 5.103) 6.297 8.353 ( -3.958 -5.981 8.792) 11.346 8.557 ( 0.717 -15.870 0.435) 15.892 9.056 ( 1.195 19.062 -0.720) 19.113 9.303 ( 2.016 5.216 -0.369) 5.604 10.549 ( 0.888 10.096 3.527) 10.731 10.750 ( -1.878 -5.534 0.005) 5.844 10.940 ( 5.845 -9.179 3.670) 11.484 11.477 ( 2.510 -2.339 0.159) 3.434 12.285 ( 1.188 -0.986 7.958) 8.106 13.257 ( 5.494 -0.730 -1.549) 5.754 13.677 ( -3.309 0.539 -3.856) 5.110 13.842 ( -0.095 -1.364 0.596) 1.492 14.542 ( 0.072 -1.982 4.594) 5.003 16.031 ( -10.295 5.101 0.215) 11.491 17.938 ( -0.552 9.182 -4.398) 10.195 18.170 ( 3.634 8.093 1.802) 9.052 ======================= Grid point 220 (98/320) ======================= q-point: (-0.25 -0.58 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -11.789 -10.629 -1.709) 15.965 3.117 ( -15.664 -7.679 16.904) 24.291 3.434 ( -1.132 -5.402 -0.260) 5.525 3.942 ( 8.186 -4.904 4.347) 10.486 4.036 ( 6.550 -7.833 9.361) 13.852 4.385 ( 2.308 2.680 9.407) 10.050 4.964 ( 6.201 -2.414 1.184) 6.759 5.459 ( -1.362 -7.732 -0.537) 7.869 5.697 ( -5.506 -14.472 -5.102) 16.303 5.991 ( -2.539 -0.138 -6.917) 7.370 6.220 ( -1.019 -7.532 -1.836) 7.820 6.447 ( 5.216 -9.579 -8.456) 13.801 6.729 ( -4.357 -2.630 -5.763) 7.688 7.198 ( -9.472 -1.569 1.467) 9.712 7.471 ( -0.875 -14.012 -3.143) 14.387 7.910 ( 8.181 -1.874 1.838) 8.592 8.103 ( 5.562 2.809 0.851) 6.290 8.472 ( -6.173 -6.783 9.541) 13.234 8.663 ( -4.855 11.630 1.159) 12.656 8.858 ( 7.614 -3.905 -2.106) 8.812 9.351 ( 2.754 -6.445 -0.769) 7.051 10.299 ( -0.349 15.882 3.570) 16.282 10.823 ( 1.250 -4.648 1.519) 5.047 11.230 ( 2.281 -10.943 0.654) 11.198 11.545 ( 2.995 -3.708 1.724) 5.069 12.310 ( 4.301 2.360 9.663) 10.837 13.298 ( 3.792 0.025 -4.942) 6.229 13.609 ( -4.069 2.361 -2.676) 5.412 13.901 ( 0.845 -3.648 4.630) 5.954 14.611 ( 0.067 -4.361 3.037) 5.315 15.862 ( -8.274 4.576 -1.856) 9.635 17.739 ( 0.284 10.542 -1.667) 10.677 18.049 ( -0.080 6.580 0.836) 6.633 ======================= Grid point 221 (99/320) ======================= q-point: (-0.17 -0.58 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -9.467 -7.993 -0.972) 12.428 3.146 ( -9.439 -1.026 17.192) 19.640 3.522 ( -4.761 -5.526 1.231) 7.398 4.027 ( 1.958 1.404 7.764) 8.130 4.215 ( 9.095 -2.272 6.126) 11.199 4.465 ( 4.842 -4.356 8.385) 10.618 5.083 ( 4.462 -4.948 2.141) 6.998 5.496 ( -6.515 0.903 -5.402) 8.512 5.905 ( -2.811 -13.293 -8.655) 16.109 6.071 ( 4.088 -9.349 -1.416) 10.301 6.282 ( -3.093 -1.259 -2.506) 4.175 6.554 ( 7.323 0.031 -11.587) 13.707 6.740 ( -1.032 -2.293 3.144) 4.026 7.132 ( -7.858 2.248 0.107) 8.174 7.729 ( -1.689 -9.549 1.628) 9.833 7.770 ( 1.645 5.644 0.447) 5.896 8.160 ( 2.111 9.005 -0.707) 9.276 8.434 ( -5.191 -4.447 0.683) 6.870 8.678 ( -2.117 -9.401 5.131) 10.918 8.974 ( 7.700 -2.351 -1.859) 8.263 9.481 ( 1.610 -4.258 -2.639) 5.263 10.000 ( -0.358 15.933 4.298) 16.507 10.956 ( 2.233 -6.617 1.795) 7.211 11.319 ( 0.155 0.079 0.504) 0.533 11.674 ( -1.860 -6.879 -0.470) 7.142 12.337 ( 7.813 2.140 8.513) 11.752 13.276 ( 1.233 2.310 -7.045) 7.516 13.538 ( -2.952 1.210 -0.342) 3.209 13.979 ( 0.404 -1.260 7.526) 7.642 14.717 ( -0.100 -5.969 -0.358) 5.981 15.749 ( -5.766 0.528 0.399) 5.804 17.560 ( 0.829 8.461 0.022) 8.502 17.938 ( -1.247 4.520 0.204) 4.694 ======================= Grid point 222 (100/320) ======================= q-point: (-0.08 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -6.407 -0.486 -0.072) 6.426 3.092 ( -3.377 6.697 18.726) 20.172 3.547 ( -4.170 -0.150 1.186) 4.338 4.028 ( -2.701 -1.359 6.657) 7.311 4.289 ( 9.828 4.449 3.856) 11.457 4.576 ( 0.549 -2.031 6.776) 7.095 5.205 ( 4.963 -2.116 0.186) 5.399 5.349 ( -10.337 2.542 -8.435) 13.581 6.075 ( -0.428 0.006 -1.661) 1.715 6.181 ( 7.348 -2.331 -7.215) 10.559 6.320 ( 1.000 -1.527 2.439) 3.047 6.598 ( 3.121 -6.746 -7.920) 10.862 6.755 ( -6.397 -0.916 4.419) 7.829 7.030 ( -1.075 3.571 -0.569) 3.772 7.665 ( 1.768 3.495 -4.218) 5.756 7.895 ( 0.210 -3.674 1.094) 3.839 8.017 ( -3.496 1.275 10.694) 11.323 8.474 ( -1.630 0.303 -3.771) 4.119 8.809 ( -1.432 -2.104 2.989) 3.925 9.069 ( 4.257 -3.064 -2.144) 5.666 9.496 ( 0.295 2.052 -4.875) 5.297 9.793 ( 0.225 4.641 2.808) 5.429 11.050 ( 1.103 -0.440 1.140) 1.646 11.335 ( -0.604 -2.830 2.037) 3.539 11.716 ( -3.351 -0.315 -0.378) 3.387 12.364 ( 2.322 1.983 -0.887) 3.180 13.241 ( 2.919 0.224 -3.548) 4.600 13.525 ( -1.260 -1.220 2.111) 2.745 13.970 ( -1.350 3.447 4.275) 5.655 14.789 ( -1.710 -1.987 -2.621) 3.707 15.786 ( -3.320 -7.570 6.947) 10.798 17.445 ( 2.053 4.908 -0.230) 5.325 17.877 ( -0.299 1.127 0.362) 1.221 ======================= Grid point 229 (101/320) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -13.050 0.000 13.946) 19.100 2.881 ( -5.367 0.000 -3.666) 6.499 3.367 ( -0.732 0.000 -2.576) 2.678 3.594 ( 2.500 -0.000 2.316) 3.408 4.067 ( -3.152 0.000 0.108) 3.154 4.565 ( 2.085 -0.000 0.198) 2.094 4.629 ( 3.282 -0.000 0.260) 3.292 4.955 ( 1.804 -0.000 -6.899) 7.131 5.049 ( -2.428 0.000 -2.549) 3.520 5.327 ( -4.218 0.000 -0.927) 4.319 5.436 ( -7.045 0.000 3.550) 7.889 6.057 ( 1.301 -0.000 9.834) 9.919 6.499 ( -4.754 0.000 -13.527) 14.338 6.773 ( 8.432 -0.000 -1.410) 8.549 6.978 ( 0.853 -0.000 1.022) 1.332 7.519 ( -3.961 0.000 -3.606) 5.356 7.592 ( 1.622 -0.000 -2.833) 3.265 7.721 ( 5.032 -0.000 6.926) 8.561 8.408 ( -3.411 0.000 18.007) 18.327 9.582 ( 2.685 -0.000 -2.236) 3.494 9.951 ( 1.024 -0.000 -2.498) 2.700 9.981 ( 1.515 -0.000 -1.079) 1.859 10.948 ( -0.375 0.000 0.876) 0.953 11.218 ( 0.409 -0.000 -0.128) 0.428 11.450 ( 0.092 -0.000 0.671) 0.678 11.887 ( 1.269 -0.000 8.583) 8.676 13.240 ( 4.900 -0.000 -1.121) 5.027 13.722 ( -0.216 0.000 -0.855) 0.882 13.803 ( -2.476 0.000 -1.791) 3.055 14.491 ( -0.379 0.000 4.315) 4.332 16.272 ( -12.395 0.000 4.880) 13.321 18.153 ( -2.477 0.000 -4.215) 4.889 18.495 ( 11.208 -0.000 -1.663) 11.330 ======================= Grid point 230 (102/320) ======================= q-point: (-0.42 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -18.593 9.482 -0.370) 20.875 2.726 ( -17.687 0.176 6.547) 18.860 3.362 ( -0.083 -0.284 -3.081) 3.095 3.672 ( 8.842 -2.145 4.178) 10.011 3.853 ( -2.178 10.756 2.726) 11.308 4.562 ( 0.874 2.203 2.437) 3.399 4.886 ( -0.659 -12.976 -2.341) 13.202 4.972 ( 0.435 -4.957 -5.825) 7.661 5.089 ( -3.409 -6.903 1.396) 7.825 5.359 ( 1.025 -7.708 -5.760) 9.677 5.513 ( -4.741 -13.177 -0.657) 14.020 6.104 ( -3.343 -1.665 9.577) 10.279 6.431 ( -5.682 0.674 -7.460) 9.402 6.899 ( 12.405 -5.488 -3.232) 13.945 7.194 ( 5.588 -17.414 -1.223) 18.329 7.496 ( -0.864 0.256 -4.903) 4.985 7.636 ( 0.267 -6.510 -1.730) 6.742 7.852 ( 2.369 -8.621 6.911) 11.300 8.437 ( -1.229 0.101 17.599) 17.642 9.542 ( 2.931 6.002 -1.864) 6.935 9.795 ( -0.376 13.080 -2.973) 13.419 10.125 ( 2.180 -12.083 2.004) 12.441 10.905 ( -1.134 4.242 0.921) 4.486 11.197 ( 1.557 8.483 0.508) 8.640 11.350 ( 0.999 1.358 0.985) 1.953 12.055 ( 0.024 -10.358 9.175) 13.837 13.273 ( 6.180 0.812 -0.949) 6.305 13.699 ( -1.441 1.174 -2.240) 2.910 13.797 ( -1.975 -1.518 -1.902) 3.134 14.505 ( -0.419 -0.453 5.512) 5.547 16.166 ( -11.967 1.918 0.954) 12.157 18.106 ( -3.513 1.402 -4.358) 5.770 18.515 ( 10.395 6.759 0.740) 12.421 ======================= Grid point 231 (103/320) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -21.779 5.662 -5.318) 23.123 2.695 ( -23.910 -10.030 13.591) 29.275 3.358 ( 0.518 -0.313 -3.119) 3.177 3.755 ( 3.513 0.421 2.968) 4.618 3.822 ( 9.744 -3.538 7.599) 12.853 4.533 ( 1.207 2.937 5.173) 6.070 4.949 ( 4.078 -0.185 -1.868) 4.489 5.105 ( -6.423 -9.425 -0.304) 11.410 5.232 ( -6.244 -10.496 -0.853) 12.242 5.644 ( 6.485 -20.065 -11.844) 24.186 5.813 ( -0.901 -19.013 -4.061) 19.462 6.114 ( -8.646 -2.845 7.263) 11.644 6.355 ( -6.422 -0.588 -4.926) 8.114 7.105 ( 9.154 -6.793 -3.598) 11.953 7.373 ( 0.821 4.021 -5.381) 6.768 7.580 ( 10.088 -8.838 1.016) 13.450 7.918 ( 1.328 -20.171 0.738) 20.228 8.100 ( -2.069 -16.112 4.405) 16.831 8.472 ( 0.118 0.301 13.857) 13.861 9.379 ( 1.826 13.583 -0.824) 13.730 9.514 ( 1.150 14.363 -2.145) 14.568 10.457 ( 4.527 -17.977 3.916) 18.947 10.771 ( -2.579 8.628 1.214) 9.087 11.026 ( 5.114 8.351 2.659) 10.147 11.423 ( 1.705 -4.810 -0.412) 5.120 12.246 ( 0.661 -6.606 10.710) 12.600 13.303 ( 6.312 0.771 -1.830) 6.617 13.656 ( -2.464 0.963 -3.110) 4.082 13.809 ( -1.081 -1.658 -2.020) 2.828 14.531 ( -0.501 -0.926 6.854) 6.934 16.023 ( -11.122 3.382 -3.179) 12.052 18.021 ( -3.719 3.605 -3.944) 6.510 18.411 ( 6.794 11.571 2.294) 13.613 ======================= Grid point 232 (104/320) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -16.557 -9.650 -1.962) 19.264 2.781 ( -24.027 -14.346 16.356) 32.413 3.376 ( 1.127 -1.756 -2.555) 3.299 3.868 ( 3.409 -7.859 2.222) 8.850 4.000 ( 9.080 -4.720 10.254) 14.487 4.495 ( 1.707 4.065 8.180) 9.293 4.999 ( 6.551 -1.033 0.019) 6.632 5.257 ( -4.181 -11.586 -0.032) 12.318 5.384 ( -5.816 -11.745 -4.872) 13.983 5.945 ( -0.124 -6.146 -5.705) 8.387 6.071 ( -0.047 -6.725 -1.724) 6.943 6.209 ( 2.009 -15.182 -7.972) 17.266 6.420 ( -7.996 -15.403 -3.458) 17.696 7.181 ( -3.054 2.538 -1.607) 4.284 7.326 ( 5.318 -1.900 -4.536) 7.244 7.847 ( 10.987 -9.992 1.549) 14.931 8.185 ( -2.747 -5.917 5.548) 8.563 8.352 ( -1.314 -4.383 6.296) 7.783 8.557 ( -1.522 -10.651 3.041) 11.181 9.096 ( 4.371 16.802 -1.221) 17.404 9.334 ( 2.098 4.235 -0.187) 4.730 10.559 ( -1.659 11.863 2.905) 12.326 10.752 ( 1.634 -6.584 0.708) 6.821 11.076 ( 8.634 -7.566 4.292) 12.256 11.519 ( 2.875 -3.352 0.020) 4.416 12.375 ( 4.099 -2.285 12.788) 13.622 13.325 ( 4.392 0.745 -4.652) 6.441 13.605 ( -3.498 1.477 -2.976) 4.824 13.850 ( 1.596 -3.584 0.565) 3.964 14.569 ( -0.570 -1.688 7.037) 7.259 15.859 ( -9.736 3.787 -6.526) 12.317 17.890 ( -2.871 6.697 -2.448) 7.686 18.225 ( 1.515 11.673 2.377) 12.008 ======================= Grid point 233 (105/320) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -7.596 -13.535 0.712) 15.537 2.926 ( -20.548 -14.238 19.199) 31.520 3.421 ( 0.832 -2.640 -2.674) 3.848 4.053 ( 1.897 -6.936 1.947) 7.449 4.166 ( 2.935 -4.433 10.204) 11.506 4.483 ( 3.692 0.579 8.660) 9.432 5.088 ( 8.101 -2.075 2.354) 8.687 5.412 ( -4.392 -4.950 -2.484) 7.069 5.570 ( -3.909 -15.912 -6.648) 17.682 5.992 ( 4.590 -2.932 -3.066) 6.250 6.137 ( -7.043 -6.555 0.337) 9.627 6.506 ( 7.991 -10.785 -12.383) 18.263 6.650 ( -1.584 -9.535 -4.578) 10.695 7.092 ( -4.394 2.085 1.330) 5.042 7.459 ( 0.765 -11.239 -1.558) 11.373 7.994 ( 1.917 8.671 1.379) 8.987 8.184 ( 3.777 -5.152 -0.741) 6.431 8.420 ( -6.146 -1.139 7.921) 10.091 8.598 ( -4.382 4.293 2.986) 6.822 8.976 ( 8.598 -0.899 -2.442) 8.984 9.388 ( 2.432 -5.715 -0.538) 6.234 10.301 ( -1.700 15.077 3.437) 15.557 10.859 ( 2.122 -5.389 1.568) 6.000 11.288 ( 4.086 -5.531 1.826) 7.115 11.591 ( 2.531 -2.354 -0.012) 3.457 12.467 ( 8.023 1.376 12.462) 14.886 13.307 ( 1.408 1.948 -7.066) 7.464 13.532 ( -4.310 1.664 -2.525) 5.265 13.970 ( 4.762 -4.143 6.885) 9.341 14.629 ( 0.048 -3.651 3.888) 5.334 15.713 ( -7.883 2.020 -6.807) 10.610 17.721 ( -1.870 8.611 -0.010) 8.812 18.039 ( -2.042 7.997 1.019) 8.316 ======================= Grid point 234 (106/320) ======================= q-point: (-0.08 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -0.797 -7.909 2.264) 8.265 3.074 ( -13.740 -9.310 22.640) 28.072 3.460 ( -1.274 -2.469 -4.306) 5.124 4.092 ( 0.813 3.981 7.873) 8.859 4.287 ( -3.552 -6.679 0.872) 7.615 4.561 ( 1.705 -2.349 7.503) 8.044 5.207 ( 8.123 -2.235 2.780) 8.872 5.346 ( -5.534 3.699 -6.625) 9.392 5.867 ( 1.289 -16.231 -3.286) 16.610 6.138 ( 3.667 -7.788 -2.194) 8.883 6.244 ( 1.082 -7.628 0.839) 7.750 6.578 ( 3.475 3.057 -10.812) 11.761 6.745 ( 0.590 -1.772 -1.173) 2.206 7.021 ( -5.655 0.967 -0.005) 5.737 7.710 ( -1.113 -8.170 0.269) 8.250 7.808 ( 2.287 3.589 1.364) 4.468 8.170 ( -2.120 13.540 2.955) 14.020 8.375 ( -1.271 -7.193 -2.136) 7.610 8.669 ( -2.508 -9.138 5.330) 10.872 9.070 ( 5.659 -1.475 -2.332) 6.296 9.487 ( 1.214 -2.507 -3.077) 4.150 10.007 ( -1.639 15.026 3.959) 15.625 10.997 ( 1.538 -6.138 1.986) 6.632 11.341 ( 1.908 1.349 1.568) 2.814 11.653 ( -0.149 -3.226 -0.561) 3.278 12.485 ( 5.445 5.949 5.771) 9.917 13.259 ( 1.489 1.324 -6.003) 6.326 13.490 ( -3.271 -1.016 0.378) 3.446 14.049 ( 2.831 2.124 9.231) 9.887 14.723 ( 1.783 -4.324 -0.986) 4.780 15.656 ( -5.584 -3.548 -1.743) 6.842 17.560 ( -1.410 6.961 1.024) 7.176 17.913 ( -1.956 3.732 0.158) 4.217 ======================= Grid point 242 (107/320) ======================= q-point: (-0.42 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -27.000 0.000 8.641) 28.349 2.652 ( -19.603 0.000 -6.610) 20.687 3.344 ( -0.057 0.000 -3.240) 3.241 3.749 ( 12.405 -0.000 5.975) 13.769 3.866 ( -22.884 0.000 -0.383) 22.888 4.602 ( 1.703 -0.000 2.013) 2.636 4.726 ( 8.452 -0.000 -0.471) 8.465 4.922 ( 0.163 -0.000 -9.170) 9.171 5.029 ( 0.304 -0.000 -0.718) 0.780 5.250 ( -3.025 0.000 -6.121) 6.828 5.362 ( -4.723 0.000 3.137) 5.670 6.115 ( -0.338 0.000 9.606) 9.612 6.406 ( 1.354 -0.000 -6.572) 6.709 6.928 ( 11.382 -0.000 -4.041) 12.078 7.035 ( 5.810 -0.000 0.781) 5.862 7.430 ( -5.218 0.000 -1.634) 5.468 7.604 ( 1.655 -0.000 -4.276) 4.585 7.838 ( 5.833 -0.000 5.518) 8.029 8.482 ( 0.328 -0.000 17.923) 17.926 9.615 ( 2.212 -0.000 -0.595) 2.290 9.921 ( -2.915 0.000 -1.948) 3.506 10.005 ( 2.284 -0.000 -1.133) 2.550 10.937 ( -1.448 0.000 0.826) 1.667 11.234 ( 1.404 -0.000 0.158) 1.413 11.468 ( 1.861 -0.000 0.767) 2.013 11.943 ( -1.059 0.000 13.500) 13.542 13.325 ( 6.246 -0.000 -2.606) 6.768 13.700 ( -1.789 0.000 -1.730) 2.489 13.754 ( -1.857 0.000 -2.538) 3.144 14.512 ( -0.759 0.000 6.905) 6.947 16.089 ( -12.034 0.000 -2.707) 12.335 18.076 ( -4.279 0.000 -3.930) 5.810 18.672 ( 11.215 -0.000 2.168) 11.423 ======================= Grid point 243 (108/320) ======================= q-point: (-0.33 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -27.431 11.333 -2.624) 29.796 2.382 ( -28.632 -1.888 5.468) 29.210 3.344 ( -0.225 -0.346 -3.274) 3.300 3.705 ( -19.771 -3.632 0.171) 20.102 3.884 ( 12.779 -1.594 7.964) 15.141 4.598 ( 2.228 1.826 2.031) 3.524 4.862 ( 1.180 -7.172 -3.760) 8.183 4.947 ( -0.632 -3.458 -3.149) 4.719 5.059 ( -1.257 -3.805 0.825) 4.091 5.350 ( 3.298 -13.777 -11.754) 18.408 5.450 ( -2.474 -12.292 1.342) 12.610 6.102 ( -2.477 2.673 8.117) 8.897 6.389 ( 2.440 3.378 -0.464) 4.193 7.054 ( 10.385 -5.820 -6.519) 13.573 7.294 ( 6.371 -14.721 -1.164) 16.082 7.454 ( -0.538 -7.179 -2.504) 7.622 7.637 ( 0.504 -6.549 -1.397) 6.715 7.932 ( 4.385 -4.133 4.569) 7.562 8.527 ( 0.752 0.764 16.179) 16.214 9.573 ( 1.365 6.124 -0.183) 6.277 9.767 ( -0.540 11.459 -3.687) 12.049 10.175 ( 2.850 -14.845 2.456) 15.314 10.886 ( -1.737 4.581 1.054) 5.011 11.240 ( 3.067 5.305 0.863) 6.188 11.376 ( 1.716 2.978 1.547) 3.769 12.113 ( -0.010 -10.692 14.750) 18.218 13.354 ( 5.064 0.561 -4.601) 6.865 13.660 ( -1.737 1.646 -2.012) 3.126 13.757 ( -1.410 -1.850 -3.376) 4.099 14.532 ( -0.903 -0.580 8.841) 8.906 15.968 ( -11.808 1.620 -6.807) 13.726 18.021 ( -4.565 1.243 -3.472) 5.869 18.679 ( 9.072 8.835 3.440) 13.122 ======================= Grid point 244 (109/320) ======================= q-point: (-0.25 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -24.945 -0.375 -3.066) 25.136 2.348 ( -28.576 -13.410 12.903) 34.101 3.340 ( -1.633 -1.573 -2.768) 3.578 3.706 ( -11.514 -8.789 -0.331) 14.488 4.039 ( 10.753 -2.493 10.439) 15.192 4.590 ( 2.569 2.392 4.907) 6.033 4.975 ( 0.384 -6.408 -4.272) 7.711 5.016 ( -2.260 -6.599 -1.526) 7.140 5.157 ( -3.103 -7.965 1.057) 8.613 5.693 ( 7.337 -17.087 -10.137) 21.179 5.762 ( -1.756 -23.315 -6.715) 24.327 6.044 ( -3.361 2.061 5.135) 6.474 6.340 ( 3.956 3.213 2.303) 5.592 7.181 ( 2.902 -1.587 -3.527) 4.835 7.367 ( 2.996 1.178 -6.499) 7.253 7.714 ( 5.736 -12.002 -0.082) 13.303 7.945 ( 0.017 -17.642 3.159) 17.923 8.115 ( 2.778 -14.346 2.008) 14.749 8.540 ( -0.532 2.084 12.416) 12.601 9.397 ( 0.828 12.687 0.354) 12.719 9.529 ( 2.581 12.960 -3.198) 13.596 10.554 ( 5.597 -17.268 1.739) 18.236 10.745 ( -1.668 8.925 2.034) 9.304 11.143 ( 7.477 5.106 4.041) 9.915 11.450 ( 2.228 -5.647 -0.646) 6.105 12.350 ( 4.045 -8.133 17.255) 19.500 13.357 ( 2.817 0.900 -6.515) 7.155 13.608 ( -2.016 2.039 -2.454) 3.774 13.790 ( 1.213 -3.735 -3.455) 5.231 14.564 ( -0.986 -0.825 10.546) 10.624 15.815 ( -11.032 2.500 -10.871) 15.689 17.940 ( -4.213 2.881 -2.622) 5.738 18.506 ( 2.808 15.022 4.044) 15.808 ======================= Grid point 245 (110/320) ======================= q-point: (-0.17 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -10.321 -17.968 1.310) 20.763 2.478 ( -25.401 -18.271 16.443) 35.347 3.375 ( -0.247 -3.285 -1.565) 3.648 3.823 ( -9.467 -12.054 -2.451) 15.522 4.189 ( 7.075 -2.349 12.098) 14.210 4.569 ( 2.226 3.159 7.471) 8.412 5.080 ( 3.045 -4.596 0.517) 5.537 5.189 ( -2.079 -13.389 -5.282) 14.542 5.302 ( -1.895 -9.466 -0.357) 9.660 5.938 ( 0.852 -8.318 -1.176) 8.444 5.975 ( -6.870 -2.707 -3.763) 8.288 6.258 ( 8.923 -22.370 -11.902) 26.864 6.408 ( 5.835 -6.448 1.909) 8.903 7.141 ( -1.448 3.658 -0.115) 3.936 7.383 ( 5.179 -0.542 -4.563) 6.924 7.954 ( 2.509 -9.857 -0.709) 10.197 8.151 ( -5.082 -6.530 5.369) 9.864 8.371 ( 0.279 -2.187 2.830) 3.587 8.551 ( -2.141 -5.117 5.800) 8.025 9.170 ( 5.957 13.269 -1.854) 14.663 9.366 ( 2.109 3.216 -0.266) 3.855 10.541 ( -1.978 11.389 2.075) 11.744 10.790 ( 2.406 -4.983 0.407) 5.548 11.238 ( 8.714 -4.660 3.953) 10.643 11.569 ( 4.069 -3.849 -1.039) 5.697 12.561 ( 9.476 -3.169 17.470) 20.126 13.330 ( 0.655 1.498 -7.026) 7.213 13.527 ( -4.581 2.710 -4.349) 6.873 13.930 ( 8.570 -7.165 1.940) 11.338 14.600 ( -0.874 -1.131 9.344) 9.453 15.658 ( -9.590 1.930 -13.064) 16.321 17.831 ( -3.561 5.289 -0.791) 6.425 18.227 ( -3.580 14.077 3.436) 14.926 ======================= Grid point 246 (111/320) ======================= q-point: (-0.08 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 2.212 -17.291 3.485) 17.777 2.702 ( -20.805 -19.425 19.246) 34.360 3.428 ( 1.094 -1.915 -1.300) 2.560 3.963 ( -12.084 -12.078 -5.076) 17.824 4.263 ( 2.546 2.297 11.074) 11.593 4.571 ( 1.418 0.158 8.054) 8.180 5.206 ( 4.430 -4.939 0.659) 6.667 5.317 ( -3.328 -3.068 -3.360) 5.637 5.549 ( 2.600 -16.674 -1.216) 16.920 5.995 ( -3.550 -6.555 -2.619) 7.901 6.111 ( 4.112 -9.176 1.426) 10.156 6.561 ( 7.788 -6.497 -10.452) 14.564 6.628 ( 1.357 -8.866 -5.211) 10.373 7.079 ( 1.739 4.152 0.786) 4.570 7.478 ( 2.123 -9.873 -0.055) 10.099 8.001 ( -1.682 10.008 1.654) 10.282 8.190 ( -1.889 -8.419 -2.277) 8.923 8.371 ( -4.729 3.350 5.303) 7.856 8.564 ( -2.725 1.041 4.691) 5.524 9.085 ( 6.931 0.286 -2.916) 7.525 9.419 ( 1.947 -4.449 -0.614) 4.896 10.286 ( -2.207 14.766 2.738) 15.179 10.897 ( 1.559 -5.687 1.532) 6.093 11.366 ( 4.355 -2.031 1.878) 5.159 11.631 ( 3.238 -0.431 -1.024) 3.423 12.665 ( 8.498 4.582 10.572) 14.317 13.280 ( 0.292 1.875 -6.863) 7.120 13.444 ( -5.361 0.111 -1.789) 5.653 14.129 ( 9.539 -1.879 10.132) 14.042 14.663 ( 2.906 -3.903 2.077) 5.291 15.548 ( -7.430 -1.275 -10.072) 12.580 17.680 ( -4.223 7.533 1.971) 8.858 17.992 ( -4.708 7.534 1.150) 8.958 ======================= Grid point 255 (112/320) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -31.325 0.000 7.305) 32.165 2.237 ( -28.436 0.000 -6.798) 29.237 3.331 ( -0.537 0.000 -3.205) 3.250 3.372 ( -38.459 0.000 -0.033) 38.459 3.994 ( 13.267 -0.000 8.997) 16.030 4.644 ( 2.364 -0.000 2.398) 3.367 4.848 ( 7.822 -0.000 -7.513) 10.846 4.895 ( 2.306 -0.000 -2.782) 3.614 5.027 ( -0.314 0.000 -0.984) 1.033 5.179 ( -0.653 0.000 -9.245) 9.268 5.325 ( -1.981 0.000 2.708) 3.355 6.154 ( -1.752 0.000 10.891) 11.031 6.464 ( 8.056 -0.000 -1.821) 8.259 7.067 ( 9.564 -0.000 -4.645) 10.633 7.149 ( 7.870 -0.000 -1.644) 8.040 7.341 ( -5.106 0.000 0.105) 5.108 7.598 ( 1.023 -0.000 -5.035) 5.137 7.967 ( 7.673 -0.000 4.133) 8.715 8.589 ( 1.708 -0.000 14.948) 15.045 9.634 ( 0.037 -0.000 0.301) 0.304 9.848 ( -5.058 0.000 -1.717) 5.341 10.041 ( 3.183 -0.000 -1.064) 3.356 10.918 ( -1.376 0.000 0.788) 1.586 11.255 ( 0.901 -0.000 0.406) 0.989 11.515 ( 3.469 -0.000 0.897) 3.583 12.017 ( -0.456 0.000 20.988) 20.993 13.373 ( 2.690 -0.000 -7.496) 7.964 13.660 ( -1.388 0.000 -3.258) 3.542 13.716 ( -1.363 0.000 -4.016) 4.241 14.545 ( -0.931 0.000 11.324) 11.362 15.865 ( -12.375 0.000 -10.727) 16.377 17.986 ( -4.821 0.000 -3.077) 5.719 18.861 ( 10.763 -0.000 4.688) 11.740 ======================= Grid point 256 (113/320) ======================= q-point: (-0.25 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -31.942 13.067 -2.749) 34.620 1.941 ( -31.895 -6.440 8.382) 33.601 3.189 ( -32.649 -9.298 -1.471) 33.979 3.382 ( -4.746 -7.513 -2.315) 9.183 4.124 ( 11.208 -0.569 10.925) 15.662 4.654 ( 3.456 1.244 2.170) 4.266 4.878 ( 2.881 -1.677 -6.392) 7.209 4.941 ( 2.332 -2.188 -0.791) 3.294 5.046 ( -0.883 -3.117 0.040) 3.240 5.326 ( 2.228 -16.301 -11.790) 20.241 5.478 ( 4.948 -13.899 1.171) 14.799 6.108 ( -3.404 4.654 10.141) 11.665 6.479 ( 8.244 4.820 1.206) 9.625 7.151 ( 6.543 -3.598 -7.158) 10.343 7.300 ( -2.931 -6.376 -2.780) 7.547 7.518 ( 8.447 -17.288 -0.870) 19.261 7.631 ( -0.146 -7.642 -1.664) 7.823 8.040 ( 6.713 -0.949 3.026) 7.424 8.612 ( -0.233 2.241 13.048) 13.241 9.576 ( -1.021 6.205 0.797) 6.339 9.749 ( 1.004 7.833 -4.665) 9.172 10.243 ( 4.831 -18.696 1.212) 19.348 10.868 ( -1.238 4.680 1.106) 4.966 11.286 ( 1.856 -0.301 0.736) 2.019 11.429 ( 4.127 6.055 2.451) 7.726 12.233 ( 3.341 -12.286 23.435) 26.671 13.361 ( 0.565 0.248 -8.676) 8.698 13.625 ( -1.304 1.569 -4.989) 5.390 13.715 ( -0.594 -2.818 -6.366) 6.987 14.577 ( -0.859 -0.449 14.049) 14.082 15.723 ( -12.493 1.084 -14.893) 19.470 17.933 ( -4.523 0.943 -2.496) 5.251 18.825 ( 6.413 13.064 5.499) 15.557 ======================= Grid point 257 (114/320) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -18.772 -12.702 1.163) 22.695 1.973 ( -28.334 -17.052 14.694) 36.187 3.182 ( -22.099 -13.386 -2.869) 25.996 3.500 ( -7.092 -9.907 -2.097) 12.363 4.243 ( 7.540 -1.188 12.219) 14.408 4.657 ( 2.134 2.414 5.083) 6.018 4.960 ( 1.268 -7.269 -5.361) 9.121 5.009 ( 2.112 -4.245 -0.649) 4.786 5.140 ( -0.040 -7.142 0.915) 7.201 5.688 ( 1.474 -21.417 -16.201) 26.895 5.786 ( 5.959 -10.096 2.567) 12.001 6.053 ( 0.286 -1.376 5.734) 5.904 6.474 ( 10.695 2.597 3.029) 11.415 7.171 ( -1.276 0.868 -1.890) 2.440 7.395 ( 4.599 -2.943 -7.840) 9.554 7.754 ( 0.466 -11.580 -1.230) 11.655 7.935 ( -3.096 -12.654 2.544) 13.273 8.202 ( 6.091 -12.303 1.262) 13.787 8.579 ( -2.377 3.480 10.559) 11.369 9.416 ( 1.330 9.628 0.897) 9.761 9.553 ( 2.903 12.822 -4.373) 13.855 10.639 ( 5.179 -10.138 -1.719) 11.513 10.746 ( 0.365 5.437 2.029) 5.815 11.284 ( 6.849 1.175 3.934) 7.985 11.498 ( 5.473 -6.302 -1.380) 8.460 12.577 ( 11.370 -9.889 24.817) 29.034 13.332 ( -0.303 0.551 -7.022) 7.050 13.540 ( -4.145 3.567 -7.310) 9.129 13.833 ( 8.099 -9.820 -6.350) 14.225 14.614 ( -1.370 -0.061 15.083) 15.146 15.563 ( -11.697 1.022 -18.139) 21.607 17.867 ( -3.795 2.247 -1.353) 4.614 18.525 ( -4.377 19.717 6.037) 21.080 ======================= Grid point 258 (115/320) ======================= q-point: (-0.08 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 1.631 -26.316 4.325) 26.719 2.185 ( -23.306 -21.912 17.823) 36.619 3.300 ( -11.894 -12.666 -1.916) 17.481 3.614 ( -9.931 -10.066 -4.667) 14.891 4.341 ( 4.462 -0.215 11.918) 12.728 4.627 ( -0.027 2.728 6.542) 7.088 5.094 ( -0.499 -7.884 -2.761) 8.369 5.155 ( 0.150 -8.866 -0.934) 8.916 5.326 ( 4.545 -11.188 0.562) 12.089 5.857 ( -5.128 -4.354 -2.606) 7.214 5.961 ( 2.202 -8.133 -2.656) 8.835 6.339 ( 7.702 -19.648 -4.835) 21.651 6.571 ( 12.856 -1.478 -0.878) 12.971 7.140 ( 1.170 1.179 1.456) 2.209 7.438 ( 5.005 0.189 -4.448) 6.698 7.935 ( -3.075 -9.939 -2.279) 10.650 8.090 ( -5.823 -5.972 4.427) 9.443 8.372 ( -1.651 1.158 -0.147) 2.022 8.550 ( -2.678 -2.570 7.767) 8.609 9.248 ( 5.302 11.710 -3.077) 13.218 9.398 ( 2.313 1.763 -0.148) 2.912 10.525 ( -1.194 11.612 1.476) 11.766 10.825 ( 1.946 -3.860 -0.073) 4.323 11.365 ( 5.146 -2.227 2.303) 6.062 11.641 ( 6.323 -2.827 -2.195) 7.266 12.822 ( 11.154 0.078 14.910) 18.620 13.298 ( -0.063 1.816 -5.464) 5.759 13.412 ( -6.439 2.464 -4.961) 8.494 14.156 ( 19.546 -10.115 2.426) 22.141 14.640 ( -0.241 -1.055 9.149) 9.212 15.428 ( -9.422 -1.026 -16.711) 19.212 17.772 ( -4.270 5.112 1.390) 6.804 18.142 ( -10.253 14.355 4.621) 18.236 ======================= Grid point 268 (116/320) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -32.223 0.000 9.460) 33.583 1.721 ( -33.552 0.000 -4.784) 33.891 2.674 ( -50.052 0.000 3.656) 50.185 3.331 ( 1.426 -0.000 -3.351) 3.642 4.242 ( 10.997 -0.000 13.244) 17.215 4.699 ( 2.844 -0.000 2.506) 3.790 4.872 ( 5.056 -0.000 -11.095) 12.192 4.975 ( 4.627 -0.000 1.320) 4.811 5.010 ( -0.215 0.000 -1.834) 1.847 5.139 ( 2.038 -0.000 -9.424) 9.642 5.329 ( 0.890 -0.000 2.192) 2.365 6.163 ( -5.216 0.000 12.568) 13.608 6.612 ( 11.151 -0.000 -1.254) 11.221 7.155 ( 0.466 -0.000 -4.631) 4.654 7.184 ( 0.958 -0.000 -1.239) 1.567 7.354 ( 7.712 -0.000 -0.854) 7.759 7.591 ( 2.076 -0.000 -6.017) 6.365 8.117 ( 8.716 -0.000 3.527) 9.402 8.676 ( 0.430 -0.000 10.436) 10.445 9.615 ( -2.657 0.000 0.376) 2.684 9.754 ( -5.813 0.000 -1.131) 5.922 10.088 ( 3.828 -0.000 -2.778) 4.729 10.905 ( -0.838 0.000 0.733) 1.114 11.265 ( 0.070 -0.000 0.483) 0.488 11.581 ( 4.277 -0.000 1.050) 4.404 12.173 ( 3.490 -0.000 32.011) 32.201 13.334 ( -0.980 0.000 -10.790) 10.835 13.591 ( -3.332 0.000 -16.137) 16.477 13.669 ( -1.848 0.000 -1.901) 2.651 14.610 ( -0.436 0.000 17.538) 17.543 15.586 ( -13.827 0.000 -18.566) 23.149 17.900 ( -4.306 0.000 -2.158) 4.816 19.054 ( 10.431 -0.000 5.884) 11.977 ======================= Grid point 269 (117/320) ======================= q-point: (-0.17 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -32.185 8.333 1.045) 33.263 1.508 ( -30.570 -11.458 13.708) 35.408 2.540 ( -46.457 -20.994 2.175) 51.027 3.368 ( 1.424 -3.736 -2.612) 4.776 4.334 ( 7.345 1.457 13.543) 15.476 4.717 ( 2.231 1.113 3.235) 4.084 4.875 ( 1.907 -0.955 -7.535) 7.831 5.010 ( 7.333 -1.238 -3.441) 8.194 5.039 ( 0.018 -3.412 1.717) 3.820 5.312 ( 3.274 -15.017 -9.166) 17.895 5.609 ( 11.158 -18.798 1.691) 21.925 6.095 ( -5.627 4.170 11.390) 13.371 6.632 ( 9.795 4.593 0.850) 10.851 7.160 ( -2.109 0.012 -2.214) 3.057 7.250 ( 0.336 -9.730 -6.839) 11.897 7.613 ( 1.920 -3.184 -4.626) 5.935 7.650 ( 6.320 -17.571 -0.488) 18.679 8.157 ( 6.118 1.070 2.088) 6.552 8.647 ( -3.354 3.422 10.479) 11.522 9.563 ( -0.933 5.182 1.092) 5.378 9.746 ( 2.360 4.112 -5.940) 7.600 10.345 ( 9.258 -24.104 -3.451) 26.050 10.859 ( -0.670 4.553 0.974) 4.704 11.304 ( 0.341 -3.301 -0.050) 3.319 11.527 ( 6.396 5.095 2.277) 8.489 12.504 ( 13.215 -15.864 35.543) 41.105 13.303 ( -0.966 -1.168 -11.090) 11.193 13.516 ( -5.489 -0.471 -19.450) 20.215 13.683 ( 0.739 -5.396 -5.528) 7.760 14.655 ( -0.911 0.342 19.984) 20.007 15.420 ( -14.114 0.139 -21.179) 25.452 17.859 ( -3.555 0.590 -1.444) 3.882 18.919 ( 0.615 21.348 6.642) 22.366 ======================= Grid point 270 (118/320) ======================= q-point: (-0.08 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -2.512 -28.665 5.740) 29.341 1.646 ( -24.380 -20.470 18.878) 37.011 2.691 ( -35.080 -28.034 -1.592) 44.933 3.461 ( 0.743 -5.139 -2.227) 5.650 4.397 ( 3.893 -0.150 12.350) 12.950 4.694 ( -0.650 2.997 4.177) 5.182 4.928 ( -0.936 -6.015 -7.002) 9.278 5.086 ( 4.635 -1.811 4.033) 6.405 5.174 ( 5.313 -8.931 -0.648) 10.412 5.631 ( 1.916 -16.147 -14.947) 22.087 5.891 ( 2.660 -2.271 8.624) 9.306 6.121 ( 5.774 -8.619 3.494) 10.947 6.670 ( 11.771 0.835 1.436) 11.888 7.154 ( 0.313 -0.853 0.714) 1.155 7.403 ( 1.936 -7.023 -9.397) 11.890 7.736 ( -1.266 -8.792 -1.746) 9.053 7.883 ( -4.337 -8.638 0.441) 9.676 8.285 ( 3.358 -8.202 0.710) 8.892 8.578 ( -4.371 3.790 9.477) 11.103 9.447 ( 1.803 6.461 0.974) 6.779 9.569 ( 2.573 13.092 -5.655) 14.491 10.696 ( 3.128 3.249 -1.015) 4.623 10.775 ( 3.242 -2.149 -1.164) 4.060 11.363 ( 1.872 -2.275 0.703) 3.029 11.615 ( 9.859 -5.031 -2.374) 11.320 12.914 ( 11.594 -3.966 16.969) 20.931 13.320 ( 3.139 -0.178 0.760) 3.234 13.401 ( -6.138 3.167 -12.645) 14.408 14.018 ( 25.428 -23.087 -12.630) 36.594 14.671 ( -3.386 1.824 18.344) 18.743 15.274 ( -11.309 -1.610 -18.679) 21.894 17.811 ( -2.934 1.984 0.257) 3.551 18.410 ( -16.280 24.099 8.857) 30.401 ======================= Grid point 281 (119/320) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -30.740 0.000 14.909) 34.165 1.165 ( -35.612 0.000 0.489) 35.615 1.898 ( -53.850 0.000 13.215) 55.448 3.341 ( 1.834 -0.000 -2.644) 3.218 4.481 ( 9.599 -0.000 17.825) 20.245 4.754 ( 2.219 -0.000 3.522) 4.163 4.909 ( 6.480 -0.000 -8.830) 10.952 4.981 ( -0.289 0.000 -2.122) 2.142 5.053 ( 3.052 -0.000 0.363) 3.073 5.153 ( 5.298 -0.000 -5.718) 7.795 5.377 ( 4.188 -0.000 1.273) 4.377 6.123 ( -8.562 0.000 12.822) 15.418 6.760 ( 7.941 -0.000 -2.526) 8.333 7.068 ( -5.781 0.000 -0.415) 5.796 7.209 ( 1.349 -0.000 -3.966) 4.189 7.489 ( 9.347 -0.000 -2.056) 9.571 7.603 ( 3.761 -0.000 -6.762) 7.737 8.265 ( 7.867 -0.000 2.480) 8.248 8.701 ( -3.115 0.000 5.919) 6.688 9.564 ( -3.709 0.000 0.209) 3.715 9.664 ( -5.062 0.000 -0.070) 5.063 10.115 ( 2.524 -0.000 -7.608) 8.016 10.899 ( -0.431 0.000 0.657) 0.786 11.264 ( -0.407 0.000 0.270) 0.489 11.652 ( 3.952 -0.000 0.759) 4.024 12.505 ( 14.991 -0.000 44.054) 46.535 13.176 ( -11.154 0.000 -37.825) 39.436 13.394 ( -6.977 0.000 -8.352) 10.883 13.640 ( -1.305 0.000 -0.384) 1.360 14.711 ( -0.990 0.000 23.025) 23.047 15.249 ( -14.737 0.000 -20.387) 25.156 17.834 ( -2.939 0.000 -1.138) 3.152 19.237 ( 9.438 -0.000 1.897) 9.627 ======================= Grid point 282 (120/320) ======================= q-point: (-0.08 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -17.300 -13.521 9.389) 23.880 1.165 ( -24.498 -16.269 20.852) 36.051 1.837 ( -46.429 -26.889 11.085) 54.787 3.382 ( 2.058 -3.492 -2.453) 4.738 4.490 ( 3.071 4.669 14.156) 15.219 4.742 ( -0.985 1.908 2.128) 3.023 4.858 ( 0.931 1.295 -7.281) 7.454 5.055 ( 1.742 -5.909 1.716) 6.394 5.146 ( 10.821 -2.066 -3.287) 11.496 5.338 ( 5.095 -11.794 -4.471) 13.603 5.837 ( 15.599 -18.489 0.455) 24.195 6.065 ( -5.120 -0.214 11.906) 12.962 6.767 ( 6.875 0.980 0.733) 6.983 7.112 ( -2.930 -4.884 0.817) 5.754 7.205 ( -0.782 -5.478 -9.068) 10.623 7.609 ( 0.962 -2.647 -4.598) 5.392 7.725 ( 3.691 -9.489 -2.695) 10.532 8.235 ( 2.512 1.601 0.662) 3.051 8.623 ( -6.189 2.704 10.144) 12.187 9.557 ( -0.958 4.111 0.924) 4.321 9.766 ( 4.728 4.114 -7.632) 9.875 10.505 ( 16.972 -30.417 -12.320) 36.946 10.856 ( -0.440 4.525 0.691) 4.599 11.299 ( -0.491 -3.879 -1.239) 4.101 11.636 ( 6.552 1.004 -0.535) 6.650 12.955 ( -0.422 -1.050 -2.523) 2.765 13.178 ( 14.452 -30.031 -28.260) 43.697 13.365 ( 2.016 -0.360 12.226) 12.396 13.697 ( 7.386 -13.869 -4.405) 16.319 14.732 ( -5.649 2.073 19.949) 20.837 15.126 ( -6.237 -1.477 -8.319) 10.501 17.811 ( -1.965 0.272 -0.254) 2.000 18.859 ( -15.672 35.013 6.598) 38.923 ======================= Grid point 294 (121/320) ======================= q-point: (-0.08 -0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -30.104 0.000 12.189) 32.478 0.771 ( -29.150 0.000 19.937) 35.316 1.258 ( -39.637 0.000 39.078) 55.662 3.360 ( 1.994 -0.000 -1.668) 2.600 4.689 ( 5.959 -0.000 0.944) 6.033 4.828 ( 4.211 -0.000 5.621) 7.023 4.974 ( 6.203 -0.000 -5.107) 8.035 5.014 ( 6.085 -0.000 5.441) 8.163 5.084 ( 1.157 -0.000 0.253) 1.184 5.254 ( 8.784 -0.000 5.157) 10.186 5.465 ( 5.672 -0.000 -2.410) 6.163 6.044 ( -9.400 0.000 12.789) 15.872 6.807 ( 0.164 -0.000 -1.317) 1.327 7.010 ( 0.020 -0.000 2.594) 2.594 7.198 ( 0.020 -0.000 -1.950) 1.950 7.594 ( 5.127 -0.000 -3.108) 5.995 7.632 ( 4.328 -0.000 -6.173) 7.539 8.351 ( 0.536 -0.000 -3.791) 3.829 8.634 ( -8.888 0.000 6.697) 11.129 9.516 ( -2.280 0.000 0.253) 2.293 9.610 ( -1.700 0.000 1.390) 2.196 10.062 ( -2.830 0.000 -14.384) 14.660 10.897 ( -0.300 0.000 0.581) 0.653 11.255 ( -0.813 0.000 -0.316) 0.872 11.703 ( 1.985 -0.000 -0.368) 2.019 12.316 ( -54.771 0.000 -58.990) 80.497 13.145 ( 21.093 -0.000 13.083) 24.821 13.484 ( 22.287 -0.000 34.547) 41.112 13.623 ( -0.617 0.000 -0.091) 0.624 14.723 ( -11.653 0.000 10.146) 15.451 15.165 ( 20.610 -0.000 19.910) 28.656 17.799 ( -1.126 0.000 -0.137) 1.134 19.252 ( -10.463 0.000 -18.095) 20.902 ======================= Grid point 295 (122/320) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.338 -0.000 21.941) 22.582 1.265 ( 2.611 -0.000 28.962) 29.080 2.238 ( -2.099 0.000 45.454) 45.503 3.348 ( 2.755 -0.000 -2.863) 3.973 4.382 ( 2.753 -0.000 -18.870) 19.069 4.872 ( -2.459 0.000 2.924) 3.821 4.949 ( 5.254 -0.000 -4.397) 6.852 5.084 ( -9.107 0.000 4.830) 10.308 5.149 ( 0.923 -0.000 0.939) 1.317 5.542 ( 6.529 -0.000 8.614) 10.808 5.698 ( 2.761 -0.000 13.260) 13.545 6.169 ( -12.289 0.000 10.729) 16.313 6.707 ( -2.687 0.000 -5.948) 6.527 7.094 ( -0.959 0.000 -5.702) 5.782 7.288 ( 11.090 -0.000 0.838) 11.122 7.495 ( 0.671 -0.000 -6.073) 6.110 7.566 ( 1.913 -0.000 -3.533) 4.018 8.163 ( -7.145 0.000 -2.173) 7.468 8.843 ( -4.403 0.000 8.286) 9.383 9.515 ( -0.162 0.000 -1.467) 1.476 9.543 ( 0.640 -0.000 -8.221) 8.246 9.722 ( 0.802 -0.000 -2.017) 2.170 10.915 ( 0.352 -0.000 1.056) 1.113 11.171 ( -6.120 0.000 -2.319) 6.545 11.289 ( -5.045 0.000 -2.655) 5.701 11.733 ( -0.172 0.000 -0.222) 0.280 13.325 ( 8.473 -0.000 1.844) 8.671 13.609 ( 0.070 -0.000 -0.469) 0.475 13.818 ( -8.259 0.000 -4.247) 9.287 14.947 ( -6.705 0.000 13.977) 15.502 16.268 ( 48.229 -0.000 -4.574) 48.445 17.800 ( -0.337 0.000 0.359) 0.493 18.522 ( -29.392 0.000 0.207) 29.392 ======================= Grid point 296 (123/320) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 1.368 -5.223 20.360) 21.064 1.656 ( 17.943 -20.875 22.081) 35.288 2.387 ( 3.949 -3.545 36.557) 36.941 3.371 ( 1.299 -1.640 -1.604) 2.636 4.355 ( 3.602 0.003 -17.963) 18.321 4.749 ( -7.532 4.964 6.607) 11.182 4.890 ( -2.784 2.568 6.523) 7.543 5.201 ( 8.649 -11.813 -1.187) 14.689 5.449 ( -5.443 -16.960 0.559) 17.821 5.562 ( -1.618 4.111 8.048) 9.181 5.768 ( -0.337 -6.968 7.801) 10.465 6.280 ( -4.742 -11.802 9.756) 16.030 6.732 ( -6.945 -9.139 -4.318) 12.264 6.991 ( 2.069 7.330 -4.697) 8.948 7.366 ( 3.412 -1.786 -1.445) 4.113 7.466 ( 2.486 -2.233 -3.219) 4.640 7.625 ( 0.650 -3.602 -4.993) 6.191 8.145 ( -3.191 -3.591 -4.400) 6.514 8.773 ( -3.653 5.268 5.186) 8.246 9.440 ( -0.532 1.796 -5.994) 6.280 9.634 ( -1.282 6.323 -0.962) 6.523 10.145 ( -1.916 -45.257 -16.903) 48.349 10.888 ( 0.800 2.888 0.973) 3.150 11.088 ( -1.969 4.436 -0.028) 4.853 11.303 ( -2.088 -4.281 -3.504) 5.913 11.734 ( -0.118 -0.539 -1.179) 1.301 13.410 ( 7.793 -1.122 2.204) 8.176 13.587 ( 0.113 2.006 -1.033) 2.259 13.753 ( -9.116 -1.634 -4.761) 10.414 14.920 ( -8.201 0.258 11.665) 14.262 16.588 ( 45.683 3.093 -12.668) 47.508 17.794 ( -5.037 -0.022 1.102) 5.156 18.161 ( -24.217 13.093 11.877) 29.983 ======================= Grid point 297 (124/320) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -4.008 -21.687 12.060) 25.136 2.220 ( 7.929 -17.961 24.978) 31.770 2.683 ( 18.163 -13.805 11.074) 25.359 3.415 ( -0.878 -2.845 0.589) 3.035 4.363 ( 4.364 -2.588 -15.172) 15.998 4.691 ( -7.568 -2.673 7.423) 10.932 4.848 ( -3.771 2.014 11.051) 11.849 5.440 ( 1.625 -4.616 5.604) 7.440 5.481 ( -0.884 -1.084 8.296) 8.413 5.696 ( -5.856 -12.472 3.281) 14.164 5.957 ( -1.218 -11.713 0.121) 11.777 6.416 ( -0.910 -2.464 -1.589) 3.070 6.871 ( 4.590 4.438 -0.428) 6.399 6.977 ( -8.619 -20.467 5.050) 22.774 7.438 ( -2.839 -7.462 -6.294) 10.166 7.576 ( -0.148 -3.585 -3.761) 5.198 7.700 ( 7.345 -6.901 -2.241) 10.324 8.186 ( -0.538 -2.661 -6.009) 6.594 8.620 ( -1.818 8.964 -2.933) 9.605 9.383 ( -0.675 3.026 -1.524) 3.455 9.491 ( -3.395 6.226 3.969) 8.126 10.610 ( -3.716 -1.853 -7.165) 8.281 10.981 ( -11.643 -15.639 -7.023) 20.724 11.015 ( 6.111 -3.191 -1.279) 7.011 11.375 ( -4.000 -7.029 -8.514) 11.743 11.771 ( 4.061 -3.613 -3.649) 6.547 13.456 ( 3.749 2.713 1.221) 4.787 13.563 ( 1.626 -0.118 -1.442) 2.177 13.715 ( -6.666 -2.167 -2.995) 7.623 14.876 ( -9.220 0.073 8.996) 12.882 16.773 ( 37.144 8.456 -13.956) 40.571 17.606 ( -23.894 8.501 14.267) 29.099 17.947 ( 1.175 2.866 5.797) 6.573 ======================= Grid point 298 (125/320) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -5.061 -23.055 6.696) 24.536 2.603 ( 1.734 -15.077 20.845) 25.785 3.151 ( 15.543 -15.882 2.232) 22.334 3.492 ( 2.012 -7.144 -0.412) 7.433 4.429 ( 3.746 -3.761 -10.187) 11.488 4.714 ( -6.016 -1.209 7.100) 9.384 4.834 ( -6.553 -2.227 12.902) 14.641 5.452 ( -1.618 -1.018 7.195) 7.444 5.630 ( -1.289 -7.175 4.950) 8.811 5.870 ( -3.204 -9.714 7.586) 12.735 6.167 ( -1.196 -11.701 -3.863) 12.380 6.433 ( 0.424 -3.439 -3.343) 4.815 6.780 ( 4.388 7.172 -5.038) 9.801 7.328 ( -9.018 -5.316 1.362) 10.556 7.473 ( -6.223 -15.393 2.851) 16.846 7.718 ( 4.227 -8.863 -3.102) 10.297 7.923 ( 5.908 -8.354 -0.385) 10.239 8.189 ( 4.254 0.928 -5.400) 6.937 8.442 ( 0.499 4.975 -11.487) 12.528 9.315 ( -2.276 3.400 5.226) 6.637 9.372 ( -5.086 4.569 4.569) 8.223 10.438 ( -1.123 12.691 -1.215) 12.798 10.986 ( -1.345 -1.772 2.124) 3.076 11.271 ( -4.583 -11.545 -2.030) 12.587 11.438 ( -7.726 -7.461 -11.011) 15.382 11.918 ( 4.638 -8.540 -8.060) 12.626 13.405 ( 0.647 3.662 -0.513) 3.754 13.579 ( 1.166 -0.502 -2.895) 3.161 13.726 ( -1.708 -2.609 1.234) 3.353 14.829 ( -9.527 -0.756 6.968) 11.827 16.740 ( 19.495 16.137 -6.271) 26.073 17.379 ( -11.901 2.736 11.435) 16.730 17.950 ( 3.612 1.478 2.523) 4.647 ======================= Grid point 299 (126/320) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -3.722 -16.768 4.671) 17.800 2.940 ( 3.943 -13.333 9.876) 17.055 3.439 ( -1.753 -10.914 10.695) 15.381 3.796 ( 11.040 -17.564 -1.195) 20.779 4.456 ( -2.289 2.066 2.836) 4.189 4.689 ( -5.046 -1.061 2.626) 5.786 4.872 ( -6.998 -3.892 6.386) 10.242 5.463 ( -0.163 2.573 1.665) 3.069 5.709 ( -5.233 -6.617 1.431) 8.557 6.116 ( 3.971 -10.769 11.083) 15.956 6.339 ( 2.739 -8.894 -5.535) 10.828 6.518 ( 0.305 0.455 -0.502) 0.743 6.713 ( 1.668 -3.544 -6.019) 7.181 7.146 ( -7.337 8.745 -2.737) 11.739 7.694 ( 1.991 8.420 -3.718) 9.417 7.861 ( -5.443 -18.544 2.944) 19.549 8.117 ( 5.914 -5.736 -0.118) 8.240 8.182 ( 1.429 1.643 -4.367) 4.879 8.514 ( 6.165 -12.796 -7.812) 16.210 9.194 ( -4.752 6.409 -2.634) 8.402 9.324 ( -4.029 -0.776 12.140) 12.814 10.164 ( -0.119 15.120 0.405) 15.126 11.032 ( -2.710 -3.267 2.752) 5.059 11.374 ( -1.033 -2.716 -1.272) 3.172 11.519 ( -6.001 -10.163 -4.270) 12.551 12.057 ( 1.494 -5.358 -6.930) 8.886 13.331 ( -0.917 3.917 -2.451) 4.711 13.609 ( 3.887 -1.398 -1.133) 4.284 13.781 ( -0.759 -3.833 2.896) 4.864 14.798 ( -8.830 -1.840 6.049) 10.860 16.486 ( 3.890 18.419 1.398) 18.877 17.349 ( -0.076 -0.806 3.555) 3.646 17.944 ( 2.857 2.513 1.633) 4.141 ======================= Grid point 300 (127/320) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.029 -8.946 5.320) 10.408 3.177 ( 4.487 -7.309 -0.816) 8.615 3.692 ( -5.179 -13.479 20.912) 25.413 4.161 ( 2.715 -10.707 0.771) 11.073 4.337 ( -5.765 5.872 10.394) 13.257 4.701 ( -5.976 -3.375 3.322) 7.624 4.904 ( -5.923 -4.849 -2.590) 8.081 5.386 ( 3.297 4.129 0.374) 5.297 5.872 ( 1.791 -10.895 -1.403) 11.130 6.249 ( 2.506 1.840 1.335) 3.384 6.424 ( 5.101 4.638 0.290) 6.901 6.512 ( 0.858 -2.464 -6.587) 7.085 6.761 ( -8.596 -0.410 -0.242) 8.609 7.035 ( 1.756 -1.477 1.988) 3.036 7.526 ( 1.470 5.078 -5.084) 7.335 8.016 ( 3.183 8.318 -2.580) 9.272 8.145 ( -4.018 -11.317 -0.513) 12.020 8.287 ( 2.781 -3.740 -1.428) 4.875 8.793 ( 3.497 -10.408 -1.990) 11.159 9.053 ( -3.485 3.023 -4.141) 6.200 9.370 ( -2.538 -3.271 8.258) 9.238 9.918 ( -0.163 9.778 3.065) 10.248 11.066 ( -2.406 -1.976 1.915) 3.655 11.385 ( -1.072 -0.357 -0.808) 1.389 11.671 ( -0.934 -7.609 0.906) 7.719 12.127 ( -1.049 -5.185 -4.616) 7.021 13.237 ( -0.345 4.215 -4.876) 6.454 13.648 ( 3.999 1.710 2.262) 4.902 13.899 ( 0.415 -8.484 3.456) 9.170 14.793 ( -6.886 -2.310 6.335) 9.637 16.160 ( -1.354 17.408 2.017) 17.577 17.394 ( 1.452 -2.461 1.304) 3.141 17.914 ( 1.540 2.642 0.922) 3.194 ======================= Grid point 301 (128/320) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 5.246 -1.010 6.238) 8.213 3.296 ( 1.953 -3.514 -5.258) 6.619 3.820 ( -11.019 5.991 28.987) 31.584 4.115 ( -9.160 0.351 0.232) 9.170 4.334 ( -5.684 -0.833 4.122) 7.071 4.739 ( -5.045 -3.527 9.009) 10.911 4.993 ( 0.103 -8.534 -4.569) 9.681 5.405 ( 9.383 1.041 1.539) 9.565 6.048 ( 2.664 -1.225 -2.727) 4.004 6.166 ( 7.019 6.176 -3.802) 10.093 6.373 ( -1.991 4.178 -9.498) 10.565 6.437 ( 2.441 2.717 1.797) 4.071 6.705 ( -5.843 0.883 0.374) 5.921 7.060 ( 0.376 2.957 4.419) 5.330 7.556 ( -0.857 -7.183 -3.999) 8.265 7.888 ( 1.688 4.746 -1.208) 5.180 8.224 ( 2.419 2.901 3.828) 5.378 8.337 ( 2.460 -0.947 -7.981) 8.405 8.873 ( -0.210 3.019 -0.457) 3.061 9.024 ( -1.476 -2.680 -2.250) 3.798 9.425 ( -1.920 -2.672 4.442) 5.528 9.878 ( -1.459 -5.097 4.092) 6.697 11.084 ( -0.921 -0.728 0.737) 1.386 11.380 ( -0.925 -0.302 1.287) 1.614 11.730 ( 3.498 2.836 1.605) 4.781 12.270 ( -3.344 -13.301 -3.303) 14.108 13.153 ( 1.471 3.529 -6.891) 7.881 13.620 ( 1.016 3.710 3.741) 5.366 14.093 ( 3.100 -8.653 3.451) 9.818 14.809 ( -4.447 -2.126 8.474) 9.803 15.841 ( -2.295 15.283 0.367) 15.458 17.468 ( -0.445 -4.631 1.438) 4.869 17.885 ( 0.016 0.993 0.300) 1.038 ======================= Grid point 302 (129/320) ======================= q-point: (-0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 9.913 8.487 5.981) 14.355 3.249 ( -8.607 8.466 -0.504) 12.083 3.574 ( -5.770 11.708 13.500) 18.778 3.952 ( -19.884 7.026 5.227) 21.727 4.380 ( 0.232 -4.785 4.730) 6.732 4.796 ( -3.399 -2.888 13.070) 13.810 5.128 ( 1.925 -4.075 -4.916) 6.669 5.412 ( 4.750 5.358 0.137) 7.161 5.872 ( 1.908 13.617 0.716) 13.769 6.091 ( 3.385 10.702 -3.495) 11.756 6.362 ( 4.034 -2.265 -7.539) 8.845 6.436 ( 5.558 1.862 4.090) 7.147 6.656 ( -2.237 2.065 -2.972) 4.255 7.000 ( -1.619 -0.853 2.520) 3.114 7.648 ( 0.316 0.170 -2.667) 2.692 7.851 ( 2.178 0.302 -1.075) 2.447 8.209 ( 5.230 0.857 -5.863) 7.903 8.299 ( -3.191 1.404 1.593) 3.832 8.733 ( -1.578 8.594 -1.507) 8.867 9.088 ( 1.004 -3.219 0.439) 3.401 9.459 ( -1.551 -0.776 4.323) 4.659 10.049 ( -3.264 -12.946 1.906) 13.486 11.061 ( -0.082 3.507 1.856) 3.969 11.400 ( 0.370 -1.538 0.064) 1.583 11.676 ( 4.367 5.069 0.188) 6.694 12.515 ( -2.636 -15.179 -4.529) 16.058 13.089 ( 2.017 2.892 -7.670) 8.441 13.563 ( -0.583 3.291 4.786) 5.837 14.248 ( 6.023 -3.102 -2.333) 7.165 14.854 ( -4.204 -3.228 13.981) 14.952 15.571 ( -0.066 12.230 -0.330) 12.235 17.568 ( -2.709 -6.748 2.313) 7.630 17.887 ( -1.988 -2.113 0.251) 2.912 ======================= Grid point 303 (130/320) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 11.838 20.031 5.782) 23.975 2.849 ( -15.465 21.862 10.309) 28.694 3.384 ( -8.472 9.751 -3.572) 13.402 3.673 ( -15.122 7.312 10.415) 19.764 4.481 ( 1.172 -4.121 1.553) 4.557 4.854 ( -2.545 -1.196 15.883) 16.130 5.083 ( -2.600 6.776 -7.549) 10.472 5.318 ( 3.341 6.344 -0.328) 7.177 5.670 ( 5.197 13.192 2.856) 14.464 5.873 ( -1.200 10.004 1.673) 10.214 6.290 ( 1.800 10.197 6.146) 12.042 6.496 ( 7.126 -0.545 -5.076) 8.766 6.589 ( 2.138 2.148 -1.488) 3.376 7.130 ( 6.625 -6.632 -1.274) 9.460 7.499 ( 6.315 12.612 -1.994) 14.245 7.959 ( -3.334 -9.782 -2.049) 10.536 8.062 ( -1.537 10.520 -5.310) 11.885 8.373 ( -6.035 -2.651 1.898) 6.859 8.581 ( -0.371 2.208 -5.615) 6.045 9.144 ( 3.436 -1.200 2.495) 4.413 9.458 ( -2.113 0.064 5.487) 5.880 10.290 ( -2.777 -14.440 0.382) 14.710 10.972 ( 0.683 6.328 2.784) 6.947 11.416 ( 0.770 0.478 -2.259) 2.434 11.643 ( 5.304 2.082 -2.399) 6.182 12.712 ( -4.419 -8.687 -12.795) 16.084 13.047 ( 2.313 0.305 -3.958) 4.594 13.525 ( -0.310 1.666 4.847) 5.135 14.273 ( 8.308 4.434 -11.312) 14.719 14.928 ( -7.668 -4.254 18.173) 20.178 15.404 ( 7.063 8.142 3.579) 11.357 17.684 ( -3.005 -6.993 2.772) 8.101 17.939 ( -6.044 -6.794 1.495) 9.215 ======================= Grid point 304 (131/320) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 10.632 29.396 6.312) 31.890 2.334 ( -12.984 23.652 13.027) 29.962 2.979 ( -22.990 18.597 5.088) 30.004 3.530 ( -3.626 4.461 4.263) 7.157 4.545 ( 0.194 -1.912 -5.023) 5.378 4.850 ( -3.782 4.107 11.546) 12.825 4.899 ( -3.396 5.768 -0.375) 6.704 5.254 ( 6.939 4.436 1.478) 8.368 5.453 ( 3.284 12.176 1.608) 12.713 5.731 ( 1.279 8.245 6.822) 10.777 6.158 ( 1.872 6.988 6.274) 9.576 6.458 ( 8.136 8.439 2.366) 11.959 6.634 ( 1.391 -4.711 -4.018) 6.346 7.205 ( 7.778 3.873 -2.493) 9.039 7.394 ( 9.155 6.101 -4.495) 11.885 7.808 ( -4.188 9.287 -2.744) 10.550 8.054 ( -7.023 6.860 -0.068) 9.817 8.244 ( -4.552 -1.695 -4.751) 6.794 8.628 ( -0.883 -4.365 -4.431) 6.282 9.246 ( 2.281 -7.043 1.704) 7.597 9.474 ( -1.459 -1.913 5.611) 6.105 10.530 ( -1.259 -12.599 0.038) 12.662 10.871 ( 2.046 5.872 1.296) 6.352 11.378 ( -0.376 2.856 -4.183) 5.079 11.649 ( 7.610 2.147 -4.411) 9.054 12.610 ( -12.498 6.982 -26.584) 30.194 13.129 ( 5.069 -4.662 0.181) 6.889 13.522 ( 0.320 -0.120 2.928) 2.948 14.168 ( 6.114 8.518 -13.259) 16.904 14.962 ( -8.634 -1.596 14.951) 17.339 15.418 ( 16.967 2.796 12.207) 21.088 17.777 ( -0.360 -3.353 1.766) 3.807 18.069 ( -13.156 -14.577 4.331) 20.108 ======================= Grid point 305 (132/320) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 5.833 32.459 6.705) 33.654 1.846 ( -10.692 23.480 17.214) 31.015 2.472 ( -22.142 17.067 22.275) 35.745 3.432 ( -0.518 5.030 0.614) 5.094 4.509 ( -1.754 1.697 -14.417) 14.622 4.766 ( -2.674 2.003 8.330) 8.975 4.851 ( -1.988 -0.406 6.624) 6.928 5.205 ( 10.168 9.619 -3.771) 14.496 5.357 ( 1.711 1.646 11.154) 11.404 5.602 ( 4.632 8.941 8.752) 13.341 6.046 ( 2.455 9.373 -2.589) 10.029 6.382 ( 0.063 4.303 11.020) 11.830 6.760 ( 3.418 -8.149 -3.321) 9.440 7.120 ( 1.992 11.269 -6.735) 13.279 7.287 ( 9.515 8.835 -1.363) 13.055 7.636 ( -2.294 9.499 -3.717) 10.455 7.769 ( -5.693 7.587 -3.349) 10.059 8.265 ( -1.364 0.803 -2.786) 3.204 8.709 ( -2.510 -6.610 0.589) 7.095 9.406 ( 0.781 -7.541 -4.102) 8.620 9.540 ( -1.619 -5.124 4.476) 6.993 10.731 ( -1.281 -9.115 -0.349) 9.211 10.761 ( 8.558 12.432 -4.740) 15.820 11.284 ( -2.091 4.477 -5.555) 7.435 11.638 ( 7.942 5.090 -6.688) 11.564 12.137 ( -23.622 17.998 -32.434) 43.976 13.232 ( 6.681 -0.828 0.259) 6.737 13.548 ( 0.084 -2.019 0.329) 2.048 14.017 ( 0.865 6.809 -6.801) 9.662 14.956 ( -5.876 -0.145 13.995) 15.179 15.603 ( 27.649 0.137 13.669) 30.844 17.812 ( 0.727 -0.083 0.790) 1.076 18.297 ( -19.022 -21.200 5.253) 28.963 ======================= Grid point 306 (133/320) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -3.342 16.736 16.616) 23.819 1.410 ( -7.202 18.929 25.210) 32.337 2.216 ( -9.545 6.138 39.101) 40.715 3.356 ( 1.693 2.820 -1.612) 3.664 4.426 ( -0.434 0.963 -17.390) 17.422 4.802 ( -3.661 -5.710 6.462) 9.368 4.890 ( -0.919 -3.697 5.994) 7.102 5.067 ( 9.407 11.354 -3.557) 15.168 5.375 ( 5.820 4.371 10.426) 12.715 5.570 ( 1.740 1.152 8.174) 8.436 5.767 ( -0.956 18.484 -4.178) 18.975 6.320 ( -6.621 5.380 10.786) 13.752 6.824 ( -0.992 11.075 -4.064) 11.839 6.983 ( 2.295 -10.900 -5.079) 12.243 7.228 ( 8.979 5.397 2.308) 10.727 7.491 ( -0.442 0.824 -4.249) 4.350 7.641 ( 1.024 6.094 -5.689) 8.400 8.212 ( -3.058 0.940 -1.899) 3.720 8.804 ( -4.166 -4.671 6.274) 8.862 9.484 ( -0.856 -2.672 -6.304) 6.900 9.656 ( -0.506 -6.420 -0.514) 6.460 10.221 ( 5.787 48.679 -19.857) 52.891 10.867 ( 0.271 -4.700 0.759) 4.769 11.198 ( -6.439 -1.237 -2.707) 7.094 11.440 ( -12.603 7.500 -12.187) 19.069 11.758 ( -4.166 2.419 -3.479) 5.942 13.276 ( 7.909 1.631 1.228) 8.168 13.590 ( -0.132 -2.086 -0.510) 2.151 13.902 ( -4.546 2.754 -3.316) 6.264 14.954 ( -5.411 -0.129 14.752) 15.714 15.903 ( 40.702 -0.706 6.758) 41.265 17.808 ( 0.380 0.785 0.451) 0.982 18.537 ( -24.225 -19.036 0.668) 30.817 ======================= Grid point 308 (134/320) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 20.131 -0.000 16.429) 25.983 1.620 ( 22.441 -0.000 23.526) 32.513 2.493 ( 4.942 -0.000 39.397) 39.706 3.371 ( 2.287 -0.000 -3.308) 4.022 4.361 ( 6.891 -0.000 -17.785) 19.073 4.808 ( -9.864 0.000 5.230) 11.165 4.942 ( -8.524 0.000 5.877) 10.353 4.963 ( -0.489 0.000 -4.147) 4.175 5.202 ( 3.781 -0.000 -1.510) 4.071 5.675 ( 2.260 -0.000 13.098) 13.292 5.781 ( 0.590 -0.000 9.538) 9.556 6.053 ( -9.891 0.000 13.669) 16.872 6.611 ( -5.427 0.000 -8.265) 9.888 7.055 ( 0.704 -0.000 -4.808) 4.859 7.379 ( -0.086 0.000 -3.522) 3.523 7.457 ( -0.756 0.000 -6.334) 6.379 7.550 ( -1.616 0.000 0.550) 1.707 8.068 ( -2.915 0.000 -5.761) 6.457 8.816 ( -4.409 0.000 7.632) 8.814 9.473 ( 0.280 -0.000 -8.571) 8.576 9.582 ( 4.963 -0.000 -0.077) 4.964 9.729 ( 1.156 -0.000 -1.739) 2.088 10.925 ( -0.289 0.000 1.200) 1.235 11.154 ( 5.115 -0.000 -0.016) 5.115 11.253 ( -0.572 0.000 -0.785) 0.971 11.715 ( -1.999 0.000 -0.191) 2.008 13.454 ( 5.204 -0.000 -0.288) 5.212 13.602 ( -1.111 0.000 -1.125) 1.581 13.672 ( -4.614 0.000 -1.507) 4.854 14.883 ( -9.446 0.000 9.870) 13.661 16.919 ( 41.885 -0.000 -19.267) 46.103 17.744 ( -10.398 0.000 1.650) 10.528 18.139 ( -19.320 0.000 11.881) 22.681 ======================= Grid point 309 (135/320) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 17.612 8.063 16.955) 25.742 2.085 ( 19.855 -14.968 22.697) 33.666 2.684 ( 13.669 -5.060 22.150) 26.516 3.379 ( 0.828 -0.678 -1.662) 1.977 4.353 ( 7.059 0.956 -14.782) 16.409 4.641 ( -10.679 3.170 6.637) 12.967 4.882 ( -2.846 1.289 7.317) 7.956 5.248 ( -8.286 -19.863 -2.463) 21.662 5.327 ( -0.251 -9.774 -0.767) 9.808 5.625 ( 1.040 8.473 10.605) 13.614 5.789 ( -3.050 -6.321 8.750) 11.217 6.282 ( -1.517 -15.192 8.605) 17.526 6.572 ( -10.328 -6.988 -4.626) 13.300 7.017 ( 4.131 4.229 -2.543) 6.436 7.321 ( -3.448 -0.782 -6.400) 7.312 7.480 ( -2.031 -4.055 -3.066) 5.474 7.633 ( 2.833 -6.608 -0.579) 7.213 8.066 ( -3.212 -4.109 -7.409) 9.060 8.745 ( -3.379 5.636 4.949) 8.227 9.407 ( 0.038 2.053 -4.975) 5.382 9.620 ( 0.115 6.655 0.018) 6.656 10.042 ( -1.760 -31.961 -8.450) 33.106 10.883 ( -1.377 4.071 0.918) 4.394 11.150 ( 7.050 5.476 0.904) 8.972 11.276 ( -0.138 -2.623 -1.861) 3.219 11.726 ( 0.203 -2.888 -1.147) 3.114 13.460 ( -4.607 -0.651 -5.393) 7.122 13.598 ( 3.762 1.061 1.429) 4.161 13.664 ( 0.667 -0.615 1.465) 1.724 14.827 ( -10.048 0.293 7.797) 12.722 17.131 ( 35.182 3.762 -20.267) 40.776 17.588 ( -22.182 5.509 9.693) 24.826 18.027 ( -2.738 3.372 9.291) 10.256 ======================= Grid point 310 (136/320) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 10.594 -9.506 12.286) 18.803 2.466 ( 6.790 -9.476 24.958) 27.546 3.029 ( 20.412 -11.949 0.873) 23.668 3.409 ( 0.341 -2.834 -0.329) 2.874 4.382 ( 6.232 -1.828 -11.610) 13.303 4.599 ( -9.107 -4.360 8.302) 13.071 4.852 ( -3.592 2.250 11.987) 12.714 5.412 ( -6.783 -4.502 5.488) 9.818 5.487 ( -4.721 -10.007 3.248) 11.531 5.632 ( -2.836 -7.409 3.990) 8.880 5.971 ( 0.732 -10.544 4.176) 11.364 6.369 ( -1.874 -1.080 -7.287) 7.601 6.846 ( -9.606 -20.532 5.779) 23.393 6.963 ( 4.885 1.284 1.239) 5.201 7.329 ( -6.207 -2.850 -7.805) 10.371 7.568 ( 1.576 -8.650 -1.827) 8.980 7.811 ( 6.658 -8.254 -0.646) 10.624 8.130 ( -2.044 -6.518 -7.622) 10.235 8.584 ( -0.924 9.855 -2.315) 10.165 9.358 ( -1.741 2.136 -0.736) 2.853 9.471 ( -2.164 8.023 5.159) 9.781 10.501 ( -4.754 -14.875 -6.882) 17.065 10.808 ( -6.263 -4.399 -1.744) 7.850 11.091 ( 2.458 3.844 1.175) 4.711 11.322 ( 0.179 -2.894 -4.069) 4.997 11.830 ( 6.033 -5.714 -2.392) 8.647 13.398 ( -7.177 0.178 -5.523) 9.058 13.602 ( 3.232 1.319 -1.095) 3.659 13.713 ( 4.139 -1.117 4.384) 6.132 14.764 ( -9.872 0.013 6.162) 11.638 17.161 ( 16.421 15.212 -12.711) 25.741 17.357 ( -10.715 1.383 11.441) 15.736 18.014 ( 3.295 1.408 4.515) 5.764 ======================= Grid point 311 (137/320) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 5.653 -16.320 7.617) 18.877 2.764 ( 6.199 -12.219 15.982) 21.051 3.309 ( 2.990 -6.120 4.650) 8.248 3.569 ( 8.319 -13.067 -3.179) 15.813 4.426 ( 0.690 -2.258 -7.405) 7.772 4.643 ( -8.153 -3.087 7.786) 11.689 4.809 ( -4.829 1.704 12.041) 13.085 5.475 ( 0.580 -3.533 5.851) 6.860 5.580 ( -6.672 -2.531 2.202) 7.468 5.865 ( -0.980 -19.288 3.564) 19.639 6.162 ( 0.423 -8.368 1.908) 8.593 6.420 ( 0.301 -6.941 -2.081) 7.252 6.816 ( 3.907 7.554 -6.560) 10.741 7.168 ( -10.176 -0.768 -2.506) 10.508 7.366 ( -6.819 -19.222 -0.542) 20.403 7.802 ( 4.553 -9.013 2.224) 10.339 8.004 ( 3.181 -6.310 0.628) 7.094 8.212 ( 4.044 -3.312 -6.784) 8.564 8.414 ( 3.047 3.289 -9.421) 10.433 9.268 ( -4.689 5.916 -0.169) 7.551 9.351 ( -3.827 3.487 11.559) 12.666 10.429 ( 0.453 11.853 0.232) 11.864 10.945 ( -4.358 -6.145 -0.255) 7.537 11.138 ( -8.349 -13.710 -2.065) 16.185 11.362 ( 0.447 -2.225 -4.385) 4.937 11.988 ( 7.457 -5.127 -1.957) 9.258 13.325 ( -6.491 0.378 -5.341) 8.414 13.614 ( 4.384 -0.505 -1.886) 4.799 13.771 ( 3.202 -0.443 4.970) 5.929 14.714 ( -8.894 -1.085 5.399) 10.461 16.844 ( -4.674 17.897 3.567) 18.838 17.374 ( 7.552 0.870 -1.543) 7.757 18.020 ( 3.379 2.163 2.552) 4.754 ======================= Grid point 312 (138/320) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.640 -14.550 5.767) 16.325 3.069 ( 7.278 -9.725 4.269) 12.875 3.466 ( -2.008 -11.045 13.320) 17.420 3.910 ( 3.170 -16.182 -0.215) 16.491 4.415 ( -4.727 2.050 3.193) 6.062 4.617 ( -8.067 -0.541 6.612) 10.444 4.789 ( -5.778 -1.610 4.259) 7.356 5.468 ( -0.502 2.856 0.279) 2.913 5.685 ( 1.787 -10.015 1.763) 10.324 6.186 ( -2.283 -10.236 5.397) 11.795 6.330 ( 0.026 -8.898 -5.785) 10.613 6.571 ( 3.917 -5.505 5.626) 8.792 6.698 ( 2.494 5.067 -7.691) 9.541 7.030 ( -4.557 2.221 -3.327) 6.064 7.668 ( -1.868 -7.423 -6.966) 10.350 7.821 ( -1.074 -0.992 3.280) 3.591 8.127 ( -4.475 -6.212 -1.994) 7.912 8.238 ( 8.731 1.836 -4.197) 9.860 8.588 ( 6.844 -14.121 -3.857) 16.159 9.088 ( -6.532 6.799 -2.627) 9.787 9.335 ( -3.553 -0.962 13.468) 13.962 10.180 ( 1.395 15.017 1.707) 15.178 10.988 ( -4.290 -3.356 1.685) 5.701 11.347 ( -1.901 -7.274 -2.158) 7.822 11.417 ( -3.845 -10.656 -1.726) 11.459 12.096 ( 5.044 -1.058 0.212) 5.158 13.255 ( -4.245 1.049 -6.098) 7.504 13.685 ( 5.288 -2.339 -1.368) 5.942 13.813 ( 1.246 -1.854 5.722) 6.143 14.701 ( -7.025 -2.743 5.511) 9.341 16.479 ( -5.557 17.736 3.776) 18.966 17.404 ( 5.698 0.929 -1.573) 5.984 17.994 ( 2.289 3.493 1.587) 4.468 ======================= Grid point 313 (139/320) ======================= q-point: ( 0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 6.989 -9.768 5.875) 13.371 3.231 ( 3.866 -4.033 -4.232) 7.008 3.753 ( -1.608 -12.589 23.318) 26.548 4.074 ( -11.561 -1.043 -1.734) 11.737 4.320 ( -4.701 3.597 12.003) 13.383 4.622 ( -8.004 -4.788 6.683) 11.473 4.836 ( 0.286 -7.015 -1.236) 7.129 5.467 ( 5.171 -0.956 0.373) 5.272 5.919 ( 5.414 -11.037 -2.388) 12.523 6.265 ( -2.926 0.061 2.223) 3.675 6.356 ( -3.490 -2.060 -11.557) 12.247 6.521 ( -4.557 9.826 -5.520) 12.157 6.713 ( 3.936 -1.471 5.629) 7.024 7.095 ( 4.646 -4.360 2.451) 6.827 7.531 ( 2.410 8.068 -4.137) 9.382 8.021 ( -2.109 -2.132 -1.001) 3.162 8.084 ( -1.118 -5.708 -4.840) 7.567 8.346 ( 5.228 -4.224 -0.529) 6.742 8.813 ( -0.125 -4.988 -3.599) 6.152 8.973 ( -3.697 -1.470 -1.196) 4.154 9.386 ( -1.353 -2.375 8.816) 9.230 9.940 ( 0.675 10.563 3.596) 11.179 11.022 ( -3.927 -3.439 1.173) 5.350 11.372 ( -0.365 -0.173 -0.709) 0.816 11.671 ( 0.522 -13.916 0.505) 13.935 12.112 ( 0.253 0.632 1.045) 1.247 13.191 ( -0.749 1.764 -7.139) 7.392 13.699 ( 0.763 2.929 1.137) 3.234 13.953 ( 2.894 -8.889 5.439) 10.816 14.736 ( -4.295 -3.896 6.238) 8.517 16.126 ( -4.126 16.634 1.904) 17.243 17.424 ( 1.934 -0.411 -0.200) 1.988 17.940 ( 1.124 3.734 0.821) 3.985 ======================= Grid point 314 (140/320) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 10.975 -2.726 5.205) 12.449 3.271 ( -1.335 0.254 -5.154) 5.330 3.791 ( -10.592 12.141 11.758) 19.946 3.935 ( -13.018 2.823 15.554) 20.478 4.305 ( -1.442 -3.676 6.334) 7.464 4.694 ( -7.376 -6.578 11.241) 14.968 5.023 ( 5.090 -8.610 -2.726) 10.367 5.521 ( 4.349 1.804 -0.670) 4.756 6.079 ( 2.373 3.757 -2.442) 5.071 6.213 ( 2.150 3.263 -7.300) 8.280 6.295 ( -0.515 -4.652 -6.162) 7.738 6.431 ( -3.654 -3.138 -3.498) 5.953 6.690 ( 3.466 5.813 2.676) 7.278 7.104 ( 1.595 7.439 5.245) 9.240 7.519 ( -1.173 -6.523 -3.292) 7.400 7.909 ( 1.386 5.337 -0.790) 5.570 8.245 ( -1.554 -5.092 2.505) 5.884 8.387 ( 8.590 4.968 -7.984) 12.736 8.852 ( -1.905 -0.356 -1.777) 2.629 8.976 ( -2.839 -2.082 -0.871) 3.627 9.429 ( -1.117 -1.822 5.662) 6.052 9.874 ( -1.684 -2.767 3.659) 4.887 11.059 ( -2.278 -2.488 0.549) 3.418 11.372 ( -0.770 -0.811 0.491) 1.222 11.829 ( 7.271 3.362 2.609) 8.425 12.184 ( -5.428 -13.370 -2.694) 14.679 13.138 ( 1.661 2.400 -7.224) 7.791 13.633 ( -1.548 3.729 2.582) 4.793 14.154 ( 1.436 -8.285 3.668) 9.174 14.805 ( -1.474 -3.670 7.773) 8.721 15.822 ( -0.332 13.825 0.967) 13.862 17.456 ( -2.078 -2.977 1.760) 4.034 17.887 ( 0.077 2.271 0.241) 2.285 ======================= Grid point 315 (141/320) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 13.370 7.796 2.846) 15.736 3.115 ( -7.870 13.217 3.446) 15.764 3.487 ( -11.234 11.173 -2.232) 16.000 3.745 ( -12.319 8.891 20.536) 25.545 4.415 ( 0.870 -4.784 4.042) 6.323 4.801 ( -5.255 -5.757 15.549) 17.394 5.129 ( 0.877 0.703 -6.206) 6.307 5.448 ( 1.676 5.793 -1.914) 6.327 5.898 ( 0.197 9.181 3.730) 9.911 6.124 ( 2.914 13.145 -3.841) 14.001 6.372 ( 1.834 -4.389 -9.535) 10.656 6.489 ( 0.338 -1.572 0.250) 1.627 6.690 ( 7.313 1.992 1.016) 7.647 7.002 ( -0.237 -2.397 2.891) 3.763 7.635 ( -0.569 -4.515 -2.340) 5.117 7.869 ( 1.090 0.686 -1.604) 2.057 8.238 ( 1.194 6.195 -1.290) 6.439 8.297 ( 2.317 4.672 -1.833) 5.528 8.699 ( -1.071 9.891 -2.687) 10.305 9.095 ( 0.044 -7.593 -0.023) 7.594 9.454 ( -2.506 -0.007 5.259) 5.825 10.005 ( -3.345 -12.127 1.234) 12.641 11.061 ( -0.926 1.690 2.060) 2.821 11.398 ( 0.164 -1.923 -1.610) 2.514 11.756 ( 4.591 7.007 1.359) 8.487 12.428 ( -3.580 -14.810 -8.389) 17.394 13.086 ( 1.939 2.657 -4.501) 5.575 13.569 ( -1.285 2.408 3.242) 4.238 14.265 ( -2.273 -3.298 -3.830) 5.542 14.883 ( -0.607 -2.650 10.674) 11.015 15.637 ( 7.647 8.815 3.059) 12.064 17.518 ( -5.761 -6.174 4.248) 9.453 17.864 ( -1.075 -0.078 0.116) 1.084 ======================= Grid point 316 (142/320) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -1.684 20.922 3.010) 21.205 2.768 ( 7.525 22.506 9.741) 25.652 3.136 ( -18.685 14.422 2.319) 23.717 3.595 ( -4.476 4.885 9.378) 11.482 4.497 ( 0.229 -2.746 -0.415) 2.786 4.878 ( -4.760 -1.092 13.570) 14.422 4.992 ( -4.096 7.246 -4.081) 9.270 5.376 ( 3.772 4.495 0.967) 5.947 5.749 ( 3.170 13.096 2.130) 13.641 5.886 ( -0.070 8.555 6.181) 10.554 6.357 ( 3.265 8.293 2.775) 9.335 6.502 ( -0.247 -3.227 -6.352) 7.128 6.650 ( 5.133 3.756 -2.653) 6.891 7.238 ( 6.867 -11.933 -0.628) 13.782 7.580 ( 4.147 10.902 0.516) 11.675 7.896 ( -2.410 -5.721 -2.129) 6.563 8.036 ( 2.283 13.089 -6.009) 14.582 8.279 ( -7.519 1.315 2.305) 7.974 8.544 ( 0.143 2.250 -7.708) 8.031 9.198 ( 1.621 -2.679 3.424) 4.640 9.441 ( -3.509 -0.936 4.725) 5.960 10.249 ( -2.465 -15.299 -0.314) 15.500 10.997 ( 0.676 5.303 3.128) 6.193 11.406 ( 0.291 1.111 -3.929) 4.093 11.702 ( 2.966 1.548 -1.481) 3.659 12.530 ( -7.189 -1.808 -19.368) 20.738 13.091 ( 3.791 -2.457 1.807) 4.865 13.542 ( 0.114 1.022 2.460) 2.666 14.216 ( -6.361 2.203 -11.886) 13.660 14.939 ( -2.279 -1.088 12.534) 12.786 15.646 ( 19.192 2.734 6.605) 20.480 17.621 ( -8.849 -9.337 7.216) 14.750 17.869 ( -2.832 -1.886 0.481) 3.436 ======================= Grid point 317 (143/320) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -8.703 26.453 4.483) 28.206 2.393 ( 9.562 28.850 13.475) 33.247 2.714 ( -12.190 17.676 10.944) 24.101 3.507 ( -2.167 3.988 2.864) 5.367 4.498 ( -0.386 1.478 -10.558) 10.668 4.809 ( -4.028 2.606 1.732) 5.101 4.884 ( -4.906 4.346 13.522) 15.027 5.359 ( 3.997 1.165 5.518) 6.913 5.516 ( 3.844 12.236 1.573) 12.921 5.800 ( 1.092 6.262 10.306) 12.109 6.211 ( 1.535 9.278 3.373) 9.991 6.527 ( -0.961 2.264 -6.013) 6.497 6.648 ( 5.427 -2.582 -0.954) 6.085 7.303 ( 5.720 10.858 0.218) 12.275 7.510 ( 5.778 -0.601 -1.721) 6.059 7.751 ( -0.435 12.841 -3.567) 13.334 7.942 ( -6.595 10.372 -1.510) 12.383 8.155 ( -2.654 -5.206 -4.222) 7.209 8.577 ( -1.467 -5.341 -7.565) 9.376 9.283 ( 0.515 -5.086 4.139) 6.578 9.467 ( -2.619 -2.837 3.620) 5.293 10.506 ( -1.696 -13.449 -0.774) 13.578 10.918 ( 2.759 4.471 1.923) 5.594 11.344 ( -0.584 3.948 -5.009) 6.404 11.717 ( 2.946 -0.585 -3.112) 4.325 12.248 ( -13.726 16.341 -29.262) 36.217 13.222 ( 5.717 -5.204 2.952) 8.275 13.538 ( 1.003 0.294 0.490) 1.154 14.057 ( -8.742 4.227 -11.949) 15.397 14.954 ( -4.427 0.091 12.651) 13.404 15.853 ( 30.839 -1.735 5.748) 31.418 17.758 ( -9.227 -9.691 8.905) 16.073 17.892 ( -7.959 -5.204 2.579) 9.853 ======================= Grid point 318 (144/320) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -11.636 28.776 7.315) 31.890 1.961 ( 9.661 27.983 19.096) 35.229 2.425 ( 0.352 12.197 24.199) 27.101 3.425 ( -0.793 3.827 0.629) 3.959 4.411 ( 0.513 2.516 -16.715) 16.911 4.749 ( -5.011 1.663 7.739) 9.368 4.851 ( -3.314 -1.487 9.065) 9.766 5.336 ( 8.115 9.305 -0.389) 12.352 5.439 ( 0.307 -1.136 11.930) 11.988 5.700 ( 1.030 7.993 8.928) 12.027 6.015 ( -3.156 12.308 -4.489) 13.476 6.418 ( -1.078 5.993 6.159) 8.661 6.805 ( 4.930 -8.689 -3.365) 10.542 7.073 ( -5.002 15.448 0.076) 16.238 7.440 ( 8.113 10.489 -2.239) 13.449 7.580 ( -0.637 8.265 -5.028) 9.695 7.683 ( -2.383 3.557 -3.973) 5.841 8.223 ( -1.217 -0.142 -3.941) 4.127 8.667 ( -2.486 -7.419 -1.675) 8.002 9.396 ( 0.352 -5.163 -2.851) 5.909 9.524 ( -3.090 -5.202 3.763) 7.125 10.686 ( -2.515 -5.215 -3.930) 6.997 10.889 ( 9.351 5.501 -2.237) 11.077 11.193 ( -6.289 10.088 -8.002) 14.330 11.608 ( -13.388 24.780 -24.879) 37.580 11.738 ( -0.098 -0.575 -2.754) 2.815 13.347 ( 6.975 -1.667 2.712) 7.667 13.552 ( 0.793 -1.219 -0.994) 1.761 13.888 ( -9.527 3.221 -7.500) 12.546 14.942 ( -6.484 -0.003 12.538) 14.115 16.196 ( 41.084 -3.825 -1.760) 41.300 17.819 ( -3.492 -0.854 2.439) 4.344 18.009 ( -20.100 -16.217 11.577) 28.302 ======================= Grid point 321 (145/320) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 25.499 -0.000 10.676) 27.644 2.124 ( 24.702 -0.000 21.778) 32.931 2.790 ( 12.239 -0.000 23.284) 26.305 3.382 ( 1.496 -0.000 -3.662) 3.956 4.396 ( 6.848 -0.000 -12.043) 13.854 4.640 ( -13.996 0.000 6.766) 15.546 4.887 ( -4.222 0.000 1.480) 4.474 4.902 ( -3.763 0.000 -0.599) 3.810 5.222 ( 0.788 -0.000 -4.643) 4.710 5.708 ( -5.862 0.000 10.589) 12.104 5.844 ( 1.198 -0.000 8.504) 8.588 6.029 ( -4.138 0.000 18.413) 18.873 6.447 ( -8.144 0.000 -11.686) 14.244 7.086 ( 5.221 -0.000 -2.060) 5.613 7.285 ( -6.172 0.000 -7.016) 9.344 7.363 ( -6.994 0.000 -7.563) 10.301 7.566 ( 0.424 -0.000 7.925) 7.936 7.987 ( -3.042 0.000 -9.139) 9.632 8.788 ( -4.648 0.000 8.264) 9.482 9.444 ( 1.231 -0.000 -6.965) 7.073 9.672 ( 6.222 -0.000 0.094) 6.223 9.747 ( 2.569 -0.000 -1.594) 3.023 10.923 ( -0.494 0.000 1.009) 1.123 11.244 ( 0.054 -0.000 -0.242) 0.248 11.292 ( 10.573 -0.000 0.866) 10.609 11.673 ( -3.071 0.000 -0.071) 3.072 13.385 ( -7.242 0.000 -6.858) 9.974 13.639 ( 2.909 -0.000 0.200) 2.916 13.692 ( 4.979 -0.000 4.497) 6.709 14.770 ( -10.174 0.000 6.306) 11.970 17.330 ( 14.388 -0.000 -5.641) 15.454 17.527 ( -6.466 0.000 -6.285) 9.017 18.064 ( -1.297 0.000 8.677) 8.774 ======================= Grid point 322 (146/320) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 24.891 14.376 10.900) 30.742 2.467 ( 12.749 -6.389 24.542) 28.384 3.030 ( 21.239 -6.623 4.236) 22.647 3.380 ( 0.544 -0.477 -1.800) 1.940 4.392 ( 2.462 0.804 -8.568) 8.951 4.510 ( -7.856 0.913 6.997) 10.560 4.879 ( -2.358 0.106 6.264) 6.694 5.067 ( -10.510 -17.057 -2.073) 20.142 5.311 ( -2.955 -8.171 -1.007) 8.747 5.674 ( -3.671 7.739 9.267) 12.619 5.786 ( -1.424 -8.397 7.580) 11.401 6.301 ( -0.514 -7.544 -1.114) 7.643 6.398 ( -8.843 -13.365 3.804) 16.471 7.078 ( 3.321 3.586 -1.576) 5.135 7.222 ( -2.972 -1.314 -9.125) 9.686 7.387 ( -6.313 -8.443 -4.013) 11.280 7.689 ( 2.465 -8.852 5.493) 10.706 7.963 ( -4.472 -3.890 -8.637) 10.475 8.720 ( -3.460 5.529 5.759) 8.701 9.390 ( 0.641 3.001 -3.558) 4.698 9.641 ( 2.135 8.005 1.008) 8.346 10.006 ( 0.905 -22.215 -3.672) 22.534 10.872 ( -0.388 5.203 0.827) 5.283 11.251 ( 3.238 5.027 0.245) 5.985 11.278 ( 1.978 2.041 0.221) 2.851 11.746 ( 3.582 -7.360 -0.171) 8.188 13.318 ( -7.272 -0.526 -6.245) 9.600 13.645 ( 2.254 1.109 -0.927) 2.677 13.753 ( 5.606 -0.437 5.053) 7.560 14.706 ( -9.405 0.172 5.183) 10.740 17.279 ( -22.528 2.990 17.374) 28.606 17.508 ( 25.683 6.091 -24.011) 35.682 18.074 ( 2.218 1.072 6.112) 6.590 ======================= Grid point 323 (147/320) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 19.316 0.685 8.552) 21.136 2.694 ( 7.809 -5.890 18.907) 21.287 3.271 ( 8.799 -3.439 0.434) 9.457 3.441 ( 5.694 -5.851 -2.953) 8.682 4.364 ( -5.375 -1.584 -4.591) 7.244 4.539 ( -1.910 -3.203 4.787) 6.068 4.863 ( -2.933 2.181 11.554) 12.119 5.344 ( -3.214 -17.367 2.477) 17.835 5.414 ( -4.926 -8.638 1.360) 10.037 5.598 ( -5.231 -1.769 4.298) 6.997 5.992 ( -3.117 -10.565 4.809) 12.019 6.319 ( 2.763 -3.952 -7.686) 9.074 6.727 ( -9.592 -17.174 6.301) 20.656 7.045 ( 4.422 1.062 -1.708) 4.858 7.182 ( -5.656 -0.421 -8.703) 10.388 7.578 ( -0.923 -14.629 -0.474) 14.666 7.877 ( 1.716 -8.005 -0.729) 8.219 8.074 ( 0.566 -11.477 -4.308) 12.272 8.566 ( -0.393 9.690 -0.632) 9.719 9.327 ( -1.846 3.363 0.087) 3.838 9.478 ( -0.815 9.706 6.032) 11.457 10.413 ( -3.036 -19.949 -2.642) 20.351 10.751 ( -1.146 4.923 -0.141) 5.057 11.102 ( -1.721 7.656 1.700) 8.029 11.317 ( 1.163 -2.542 -2.692) 3.882 11.942 ( 8.812 -7.062 0.913) 11.330 13.255 ( -6.624 -0.262 -5.464) 8.590 13.640 ( 2.810 0.714 -2.175) 3.624 13.811 ( 3.984 -0.151 4.757) 6.207 14.651 ( -7.754 -0.216 4.894) 9.172 17.031 ( -18.999 9.491 12.293) 24.538 17.527 ( 19.951 5.785 -14.102) 25.108 18.087 ( 3.071 1.448 3.589) 4.941 ======================= Grid point 324 (148/320) ======================= q-point: ( 0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 12.730 -9.296 5.539) 16.708 2.957 ( 9.469 -10.435 10.363) 17.491 3.348 ( -0.235 -3.635 5.737) 6.796 3.657 ( 3.052 -12.420 -0.223) 12.792 4.351 ( -8.196 -3.204 -0.235) 8.803 4.556 ( -5.292 -0.770 2.195) 5.780 4.812 ( -3.358 3.767 12.486) 13.467 5.466 ( -6.039 -0.936 1.571) 6.309 5.550 ( 3.241 -7.303 2.959) 8.520 5.867 ( -0.143 -21.422 -0.606) 21.431 6.142 ( -5.174 -9.917 0.695) 11.207 6.468 ( 6.612 -7.106 1.865) 9.884 6.806 ( -2.112 0.173 -4.476) 4.952 7.013 ( -5.721 3.245 -7.238) 9.780 7.290 ( -1.291 -16.347 -2.180) 16.542 7.803 ( -6.687 -11.240 -0.916) 13.111 8.044 ( 2.921 -2.457 3.324) 5.062 8.278 ( 7.916 -5.853 -5.056) 11.068 8.430 ( 3.816 -1.004 -5.714) 6.944 9.193 ( -4.651 8.804 -0.229) 9.959 9.355 ( -3.956 3.214 12.877) 13.849 10.455 ( 2.025 11.040 2.019) 11.404 10.872 ( -3.603 -12.236 -1.362) 12.828 11.021 ( -6.623 -6.560 0.891) 9.364 11.362 ( 1.635 -1.726 -2.435) 3.403 12.117 ( 8.398 -3.326 2.983) 9.513 13.201 ( -5.023 -0.467 -5.635) 7.563 13.665 ( 3.452 -1.841 -3.237) 5.078 13.840 ( 1.795 0.659 4.727) 5.099 14.627 ( -5.561 -1.395 5.490) 7.938 16.715 ( -13.883 13.194 7.726) 20.652 17.523 ( 13.048 5.338 -7.726) 16.076 18.076 ( 2.266 2.794 2.157) 4.195 ======================= Grid point 325 (149/320) ======================= q-point: ( 0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 9.067 -12.375 4.384) 15.955 3.187 ( 6.257 -4.256 -1.789) 7.776 3.544 ( 2.206 -14.345 17.664) 22.862 3.882 ( -5.811 -10.104 0.897) 11.690 4.345 ( -9.494 -1.985 7.857) 12.482 4.522 ( -6.028 -0.041 6.403) 8.794 4.769 ( -0.504 0.067 5.512) 5.535 5.453 ( -1.057 -2.021 0.163) 2.287 5.763 ( 6.526 -10.178 -0.231) 12.093 6.113 ( -6.556 -9.621 -3.084) 12.044 6.256 ( -6.803 -4.115 -3.298) 8.607 6.599 ( -1.464 -0.634 -2.184) 2.704 6.760 ( 4.717 4.739 -1.288) 6.809 7.021 ( 6.935 -8.921 -0.260) 11.302 7.585 ( -3.066 -16.099 -8.200) 18.326 7.842 ( 0.893 8.017 1.490) 8.203 8.019 ( -6.700 -7.041 -2.442) 10.021 8.352 ( 8.504 1.644 -4.080) 9.574 8.673 ( 5.203 -12.972 -0.425) 13.983 8.975 ( -6.366 7.658 -1.739) 10.109 9.351 ( -3.686 -1.861 13.531) 14.147 10.224 ( 2.625 15.302 2.682) 15.756 10.927 ( -4.322 -2.953 1.507) 5.447 11.276 ( -4.046 -15.851 -2.471) 16.544 11.410 ( 1.845 -4.830 1.150) 5.297 12.192 ( 5.109 2.250 4.819) 7.375 13.168 ( -1.999 -0.658 -6.815) 7.133 13.723 ( 0.932 -1.262 -3.571) 3.901 13.871 ( 1.868 -3.030 6.067) 7.034 14.651 ( -3.285 -3.266 6.479) 7.965 16.376 ( -9.883 14.511 3.995) 18.006 17.492 ( 7.188 4.542 -3.847) 9.333 18.029 ( 1.227 4.141 1.272) 4.502 ======================= Grid point 326 (150/320) ======================= q-point: ( 0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 7.664 -10.887 3.397) 13.741 3.247 ( 1.265 -0.976 -4.707) 4.971 3.863 ( -4.628 -0.214 6.895) 8.307 3.902 ( -3.533 -6.370 18.496) 19.879 4.295 ( -7.466 2.279 12.660) 14.873 4.532 ( -8.106 -5.148 9.805) 13.724 4.888 ( 5.637 -9.075 -0.643) 10.702 5.526 ( 2.368 -3.717 -0.692) 4.462 6.001 ( 6.132 -9.423 -4.059) 11.952 6.153 ( -6.804 -3.203 -8.300) 11.200 6.258 ( -5.930 -5.824 -2.704) 8.741 6.409 ( -2.811 12.022 -7.791) 14.599 6.812 ( 2.704 -1.480 5.756) 6.530 7.199 ( 6.300 -0.070 2.024) 6.617 7.563 ( 4.085 10.559 -2.575) 11.611 7.944 ( -5.000 -15.529 -3.786) 16.748 8.061 ( 0.310 0.371 -3.854) 3.884 8.437 ( 6.830 -6.204 -0.838) 9.265 8.739 ( -4.678 1.936 -6.570) 8.294 8.947 ( -1.485 -4.627 4.253) 6.457 9.415 ( -0.852 -2.430 8.261) 8.653 9.977 ( 1.499 12.203 3.988) 12.925 10.969 ( -3.286 -4.310 0.976) 5.507 11.358 ( -0.895 -0.680 -0.710) 1.329 11.694 ( 1.786 -18.316 0.429) 18.408 12.142 ( 1.463 6.798 5.205) 8.686 13.152 ( 0.958 0.109 -7.639) 7.699 13.683 ( -2.607 2.867 -1.044) 4.013 14.023 ( 1.715 -7.990 5.649) 9.935 14.730 ( -1.215 -4.873 7.127) 8.718 16.060 ( -5.385 13.152 1.553) 14.296 17.452 ( 2.101 2.671 -0.848) 3.502 17.956 ( 0.447 4.315 0.576) 4.377 ======================= Grid point 327 (151/320) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 3.641 -4.935 -0.646) 6.167 3.220 ( -1.313 2.857 -2.713) 4.153 3.657 ( -4.101 12.710 3.215) 13.736 3.924 ( -8.209 9.876 29.379) 32.063 4.333 ( -0.083 -5.643 5.988) 8.228 4.647 ( -6.444 -9.339 13.987) 18.010 5.088 ( 4.363 -5.929 -3.410) 8.112 5.537 ( 0.029 3.286 -3.297) 4.655 6.064 ( -2.125 5.959 -4.247) 7.620 6.192 ( 0.150 -3.014 -8.061) 8.607 6.269 ( 0.462 -3.412 -7.910) 8.627 6.361 ( -0.790 -10.392 -0.490) 10.433 6.789 ( 5.729 6.933 3.085) 9.508 7.147 ( -0.130 8.346 4.844) 9.650 7.497 ( 0.756 -3.403 -2.793) 4.467 7.915 ( -0.066 5.214 -0.811) 5.277 8.226 ( -1.866 -8.916 1.130) 9.179 8.472 ( 6.965 8.301 -10.015) 14.755 8.806 ( -1.462 -9.181 -1.669) 9.445 8.944 ( -1.583 2.276 1.927) 3.377 9.445 ( -0.791 -0.311 5.899) 5.960 9.866 ( -1.731 0.293 3.755) 4.145 11.032 ( -1.364 -3.530 0.525) 3.821 11.363 ( -0.657 -1.105 0.395) 1.344 11.949 ( 3.680 4.733 2.055) 6.337 12.098 ( -1.415 -12.388 -1.592) 12.570 13.130 ( 1.742 1.575 -6.163) 6.595 13.606 ( -2.594 2.488 0.512) 3.631 14.161 ( -2.689 -4.874 2.996) 6.322 14.838 ( 0.026 -4.663 7.486) 8.820 15.842 ( 1.788 8.184 1.743) 8.557 17.430 ( -2.320 -0.335 2.150) 3.180 17.889 ( -0.014 2.854 0.152) 2.858 ======================= Grid point 328 (152/320) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -8.824 8.801 -3.215) 12.871 3.129 ( 1.190 6.682 0.672) 6.821 3.373 ( 3.395 19.406 10.160) 22.166 3.728 ( -5.337 9.841 18.568) 21.682 4.435 ( -1.393 -4.134 4.350) 6.161 4.805 ( -5.026 -6.655 15.949) 17.998 5.077 ( -2.146 5.823 -8.031) 10.149 5.474 ( 2.804 2.845 -1.644) 4.320 5.916 ( -1.023 6.124 4.704) 7.790 6.141 ( 1.445 11.971 -1.515) 12.152 6.292 ( -3.292 -6.508 -11.475) 13.596 6.530 ( 4.928 -2.138 -2.374) 5.873 6.811 ( 5.722 3.230 2.292) 6.958 7.017 ( 0.147 -4.048 2.706) 4.871 7.605 ( -1.441 -6.001 -2.884) 6.812 7.878 ( 1.659 -1.018 -1.737) 2.609 8.249 ( 0.125 6.983 1.297) 7.104 8.313 ( 0.894 7.872 -3.320) 8.590 8.682 ( 1.397 11.940 -4.078) 12.694 9.098 ( 0.533 -10.058 -0.063) 10.073 9.436 ( -3.499 1.745 5.808) 7.002 9.961 ( -2.938 -11.531 1.031) 11.944 11.061 ( -0.541 0.317 2.334) 2.417 11.394 ( 0.666 -1.782 -1.928) 2.709 11.804 ( -0.099 8.215 1.675) 8.384 12.332 ( -1.658 -10.217 -11.283) 15.311 13.106 ( 2.528 0.632 -0.687) 2.695 13.564 ( -0.623 0.901 1.092) 1.547 14.156 ( -7.963 0.710 -3.849) 8.873 14.924 ( -1.326 -2.432 8.526) 8.965 15.818 ( 12.161 0.748 3.685) 12.729 17.444 ( -6.610 -3.851 5.630) 9.498 17.856 ( 0.025 0.696 0.130) 0.708 ======================= Grid point 329 (153/320) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -11.326 19.587 1.123) 22.654 2.895 ( -10.465 16.988 10.667) 22.625 3.084 ( 16.879 21.122 6.956) 27.918 3.590 ( -1.725 6.193 6.937) 9.458 4.486 ( -0.912 -1.262 -0.873) 1.784 4.831 ( -4.891 3.069 -0.517) 5.797 4.946 ( -4.689 2.595 10.497) 11.786 5.435 ( 2.264 3.240 2.093) 4.472 5.794 ( 0.723 11.764 3.191) 12.210 5.927 ( 0.257 7.214 9.016) 11.550 6.371 ( -0.458 -4.398 -7.751) 8.924 6.498 ( 3.218 8.995 -1.264) 9.636 6.693 ( 2.408 3.296 -3.333) 5.270 7.303 ( 1.044 -15.313 -0.394) 15.354 7.630 ( 2.159 5.261 0.782) 5.740 7.879 ( 1.412 2.135 -1.145) 2.804 8.068 ( 5.020 12.723 -5.263) 14.655 8.173 ( -6.854 4.206 2.021) 8.292 8.508 ( 1.135 4.158 -9.355) 10.300 9.231 ( 0.131 -3.766 4.102) 5.570 9.401 ( -4.600 -1.356 4.262) 6.416 10.210 ( -2.162 -15.721 -0.754) 15.887 11.024 ( 0.439 4.035 3.502) 5.361 11.392 ( 0.675 2.203 -3.542) 4.226 11.704 ( -1.792 1.425 -1.662) 2.830 12.311 ( -6.825 5.247 -19.948) 21.727 13.178 ( 5.367 -4.387 3.925) 7.966 13.559 ( 1.256 0.395 0.491) 1.406 14.019 ( -10.576 3.610 -8.232) 13.880 14.948 ( -4.600 -0.202 9.423) 10.488 16.010 ( 22.603 -5.353 2.744) 23.390 17.497 ( -11.967 -7.153 9.796) 17.039 17.860 ( 0.979 -0.483 0.430) 1.173 ======================= Grid point 330 (154/320) ======================= q-point: (-0.08 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -11.813 26.302 4.147) 29.130 2.505 ( -3.951 20.778 22.267) 30.711 2.849 ( 18.665 20.187 3.913) 27.771 3.490 ( -1.545 4.464 1.928) 5.103 4.444 ( 1.617 3.672 -11.927) 12.584 4.761 ( -4.280 0.409 4.271) 6.061 4.867 ( -6.518 4.352 13.832) 15.898 5.428 ( 0.322 0.147 7.342) 7.351 5.585 ( 2.749 10.535 4.472) 11.771 5.858 ( -0.965 5.557 10.266) 11.713 6.219 ( -1.279 13.391 -3.113) 13.807 6.457 ( -1.208 -0.827 -6.264) 6.433 6.730 ( 4.757 -4.196 -1.759) 6.583 7.380 ( 0.873 16.967 5.451) 17.842 7.520 ( -1.953 -4.242 -1.575) 4.928 7.736 ( -1.125 14.155 -4.206) 14.809 7.867 ( 0.390 11.247 -2.200) 11.467 8.144 ( 3.751 -5.110 -4.330) 7.677 8.508 ( -1.175 -5.359 -10.266) 11.640 9.307 ( -0.940 -3.987 6.115) 7.360 9.430 ( -4.104 -3.640 2.424) 5.998 10.470 ( -1.925 -13.350 -1.481) 13.569 10.968 ( 1.735 2.442 2.615) 3.976 11.313 ( -0.522 5.761 -3.689) 6.861 11.659 ( -9.040 1.849 -7.435) 11.850 11.959 ( -2.877 18.461 -20.710) 27.893 13.331 ( 5.770 -5.278 3.438) 8.542 13.563 ( 2.137 0.725 -0.849) 2.411 13.848 ( -10.211 3.296 -6.804) 12.705 14.921 ( -7.504 0.436 9.513) 12.124 16.358 ( 31.418 -8.796 -3.461) 32.809 17.566 ( -19.038 -9.358 13.819) 25.317 17.889 ( 2.574 -0.846 1.651) 3.173 ======================= Grid point 334 (155/320) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 24.957 -0.000 5.844) 25.632 2.557 ( 15.024 -0.000 22.830) 27.331 3.135 ( 22.728 -0.000 4.752) 23.219 3.379 ( 0.619 -0.000 -3.775) 3.826 4.347 ( -11.977 0.000 -0.164) 11.978 4.539 ( 0.378 -0.000 1.899) 1.937 4.767 ( -7.484 0.000 -5.183) 9.103 4.890 ( -1.082 0.000 4.361) 4.493 5.185 ( -1.589 0.000 -5.807) 6.020 5.650 ( -7.570 0.000 9.858) 12.429 5.858 ( -5.481 0.000 5.568) 7.814 6.094 ( -1.432 0.000 19.128) 19.181 6.288 ( -2.109 0.000 -12.772) 12.945 7.097 ( -7.610 0.000 -4.515) 8.849 7.182 ( -7.062 0.000 -8.599) 11.127 7.222 ( 4.442 -0.000 -3.475) 5.640 7.633 ( 1.351 -0.000 11.951) 12.027 7.871 ( -5.559 0.000 -9.215) 10.762 8.759 ( -4.914 0.000 9.361) 10.572 9.435 ( 1.648 -0.000 -4.951) 5.219 9.757 ( 4.535 -0.000 -0.382) 4.551 9.802 ( 5.553 -0.000 -1.340) 5.712 10.925 ( 0.227 -0.000 0.957) 0.983 11.241 ( -0.226 0.000 -0.171) 0.283 11.463 ( 8.068 -0.000 2.365) 8.408 11.642 ( 0.775 -0.000 1.061) 1.314 13.245 ( -5.784 0.000 -5.990) 8.327 13.670 ( 1.867 -0.000 -0.580) 1.955 13.801 ( 4.501 -0.000 4.293) 6.220 14.652 ( -8.124 0.000 4.577) 9.324 17.177 ( -22.363 0.000 17.248) 28.242 17.689 ( 23.064 -0.000 -24.354) 33.542 18.117 ( 2.205 -0.000 5.924) 6.321 ======================= Grid point 335 (156/320) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 24.085 15.744 5.165) 29.234 2.745 ( 8.954 -1.918 19.202) 21.274 3.328 ( 10.140 1.355 -2.601) 10.555 3.402 ( 8.741 -3.595 -2.151) 9.693 4.248 ( -13.997 -1.458 0.569) 14.084 4.541 ( 3.525 0.363 3.002) 4.645 4.851 ( -3.452 -8.439 -1.608) 9.258 4.950 ( -3.868 -10.751 4.340) 12.222 5.242 ( -4.129 -7.541 -2.105) 8.851 5.613 ( -8.225 3.997 7.725) 11.971 5.784 ( -5.333 -5.979 4.802) 9.341 6.254 ( 2.939 -3.695 -10.428) 11.447 6.379 ( -3.270 -15.643 13.177) 20.713 7.011 ( -8.348 -1.040 -6.529) 10.649 7.171 ( -1.402 -2.084 -6.753) 7.205 7.306 ( 0.928 -7.905 -2.423) 8.320 7.757 ( 0.553 -6.125 5.129) 8.008 7.852 ( -3.697 -7.573 -3.239) 9.028 8.701 ( -3.344 4.944 7.270) 9.406 9.388 ( 1.101 3.883 -2.290) 4.641 9.691 ( 3.292 9.354 1.215) 9.990 10.019 ( 2.306 -16.589 -1.544) 16.819 10.880 ( 0.770 5.388 0.867) 5.512 11.257 ( -0.613 0.091 -0.690) 0.927 11.316 ( 0.698 10.656 1.641) 10.805 11.849 ( 8.452 -10.625 3.047) 13.914 13.193 ( -4.512 -0.150 -5.274) 6.943 13.671 ( 1.828 1.038 -1.262) 2.452 13.842 ( 2.443 -0.353 3.290) 4.113 14.609 ( -5.957 -0.050 4.818) 7.662 17.019 ( -21.399 3.375 14.778) 26.224 17.752 ( 20.335 4.722 -19.324) 28.447 18.141 ( 2.585 0.897 4.444) 5.219 ======================= Grid point 336 (157/320) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 18.880 6.363 3.054) 20.156 2.913 ( 9.750 -5.241 12.524) 16.714 3.332 ( 0.667 0.195 1.337) 1.507 3.522 ( 4.300 -4.471 -0.649) 6.237 4.192 ( -14.519 -3.766 1.638) 15.089 4.549 ( 0.698 1.230 0.419) 1.475 4.882 ( -2.226 1.938 10.636) 11.038 5.310 ( -3.024 -16.947 -2.090) 17.341 5.401 ( 2.363 -15.165 3.112) 15.661 5.532 ( -4.698 -3.280 2.163) 6.124 5.897 ( -9.205 -9.670 -0.009) 13.351 6.397 ( 9.793 -8.168 -5.133) 13.746 6.613 ( -9.446 -9.968 6.562) 15.220 6.975 ( -7.447 -3.320 -8.190) 11.557 7.174 ( 6.371 0.627 -3.395) 7.246 7.507 ( -7.101 -12.935 -1.705) 14.854 7.876 ( 0.351 -12.296 -2.113) 12.481 8.112 ( 3.704 -14.662 2.257) 15.291 8.568 ( 0.347 9.022 1.739) 9.194 9.304 ( -1.317 5.457 0.769) 5.666 9.504 ( -0.164 11.502 6.074) 13.009 10.381 ( -0.535 -19.932 0.738) 19.953 10.756 ( 1.471 7.755 0.268) 7.898 11.066 ( -3.793 9.644 1.714) 10.503 11.327 ( 1.750 -2.680 -2.068) 3.810 12.101 ( 9.100 -7.148 4.993) 12.603 13.150 ( -3.094 0.078 -4.874) 5.774 13.663 ( 1.782 0.356 -2.895) 3.418 13.866 ( 0.386 -0.084 2.455) 2.486 14.591 ( -3.437 -0.483 5.958) 6.895 16.797 ( -18.983 7.189 10.729) 22.960 17.738 ( 16.486 7.215 -13.153) 22.290 18.143 ( 2.141 1.941 2.893) 4.090 ======================= Grid point 337 (158/320) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 11.166 -4.821 1.692) 12.279 3.149 ( 9.233 -6.526 3.284) 11.774 3.387 ( 0.938 -7.163 9.958) 12.302 3.670 ( -0.910 -9.168 3.464) 9.843 4.172 ( -15.606 -5.751 4.911) 17.341 4.532 ( 0.582 1.043 1.924) 2.264 4.832 ( -2.070 3.956 11.125) 11.988 5.395 ( -3.798 -2.280 1.634) 4.721 5.616 ( 3.588 -10.278 -0.329) 10.891 5.833 ( -4.141 -15.770 -2.282) 16.464 6.038 ( -5.270 -12.082 -4.290) 13.862 6.556 ( -2.352 -1.825 4.882) 5.718 6.758 ( 2.142 -13.595 -6.564) 15.248 6.918 ( -0.126 1.826 -8.838) 9.026 7.315 ( 5.704 -9.748 -1.071) 11.345 7.624 ( -13.498 -11.641 -1.826) 17.918 8.126 ( 4.211 -0.922 4.048) 5.913 8.374 ( 6.807 -6.797 -4.163) 10.481 8.468 ( 3.807 -5.514 -2.150) 7.037 9.123 ( -4.248 11.796 0.076) 12.538 9.364 ( -3.678 3.674 12.905) 13.913 10.508 ( 2.951 10.437 3.152) 11.294 10.834 ( -1.020 -13.252 0.237) 13.293 10.936 ( -4.994 -3.785 1.641) 6.477 11.384 ( 2.564 -2.132 -1.653) 3.722 12.263 ( 6.553 -1.618 6.813) 9.590 13.124 ( -0.769 -0.569 -5.556) 5.638 13.679 ( 0.868 -1.852 -4.517) 4.958 13.869 ( -0.579 -0.121 2.652) 2.718 14.608 ( -1.361 -1.489 7.596) 7.859 16.520 ( -15.750 10.123 6.370) 19.776 17.674 ( 11.589 8.138 -8.126) 16.326 18.113 ( 1.260 3.426 1.761) 4.053 ======================= Grid point 338 (159/320) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 4.443 -10.982 1.475) 11.938 3.235 ( 2.283 -0.624 -3.723) 4.411 3.713 ( 5.193 -16.586 19.946) 26.456 3.818 ( -1.167 -5.175 3.896) 6.582 4.189 ( -14.699 -6.436 9.086) 18.440 4.520 ( -1.654 2.473 10.456) 10.871 4.815 ( 2.832 -1.801 4.157) 5.343 5.447 ( 0.193 -4.800 0.201) 4.808 5.841 ( 1.624 -10.602 -3.355) 11.238 5.994 ( -2.299 -8.141 -7.091) 11.038 6.107 ( -8.832 -3.013 -3.839) 10.091 6.539 ( -4.429 3.405 -2.355) 6.062 6.769 ( -0.988 -0.392 -1.771) 2.066 7.201 ( 12.202 -13.524 -0.459) 18.220 7.495 ( -2.978 -11.294 -8.801) 14.625 7.808 ( -5.327 -11.305 1.265) 12.561 7.972 ( 2.597 9.291 -0.925) 9.691 8.455 ( 7.689 1.273 -4.552) 9.025 8.738 ( 2.482 -8.293 2.160) 8.922 8.874 ( -5.640 5.616 -0.802) 8.000 9.364 ( -3.276 -2.685 12.356) 13.062 10.284 ( 2.990 15.604 3.165) 16.200 10.875 ( -3.271 -2.830 1.624) 4.620 11.224 ( -1.582 -15.411 0.026) 15.492 11.458 ( 3.195 -5.638 0.928) 6.546 12.294 ( 3.704 4.360 7.732) 9.618 13.129 ( 1.676 -1.078 -7.087) 7.361 13.685 ( -2.568 0.283 -4.529) 5.214 13.921 ( 0.920 -5.231 4.002) 6.650 14.666 ( -0.259 -3.125 8.939) 9.473 16.224 ( -11.836 10.848 2.651) 16.272 17.579 ( 6.639 7.589 -4.260) 10.946 18.047 ( 0.430 4.633 0.922) 4.744 ======================= Grid point 339 (160/320) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -3.141 -10.157 -0.500) 10.643 3.238 ( 1.384 0.541 -3.177) 3.508 3.841 ( 3.849 3.945 5.085) 7.499 4.036 ( -4.238 -3.850 29.947) 30.490 4.232 ( -5.141 -5.880 7.951) 11.145 4.500 ( -3.129 -2.591 11.643) 12.332 4.972 ( 4.972 -8.794 -0.394) 10.111 5.537 ( 0.191 -2.588 -2.436) 3.559 5.939 ( -7.085 -5.564 -12.256) 15.210 6.090 ( -1.762 -8.157 -2.721) 8.778 6.183 ( 3.215 -7.463 -5.154) 9.623 6.349 ( -1.324 9.803 -4.606) 10.912 6.849 ( -1.260 -5.209 4.795) 7.191 7.275 ( 1.565 6.958 0.705) 7.167 7.624 ( 4.773 10.104 -1.545) 11.281 7.846 ( -4.228 -17.871 -4.973) 19.026 8.049 ( 1.059 -1.935 -3.716) 4.321 8.542 ( 6.005 -9.392 0.127) 11.149 8.637 ( -2.400 6.115 -7.636) 10.073 8.949 ( -2.172 -3.543 6.741) 7.919 9.442 ( -0.821 -2.893 6.673) 7.319 10.025 ( 1.626 13.989 4.413) 14.758 10.938 ( -1.093 -5.047 0.742) 5.217 11.343 ( -0.796 -1.423 0.763) 1.800 11.713 ( 0.218 -16.353 -0.651) 16.368 12.219 ( 4.206 8.227 7.608) 11.969 13.138 ( 2.172 -0.063 -7.598) 7.902 13.621 ( -3.564 1.982 -2.631) 4.853 14.059 ( -0.379 -6.235 4.597) 7.755 14.764 ( -0.215 -4.746 8.958) 10.140 15.976 ( -6.319 7.696 0.818) 9.992 17.483 ( 2.505 5.517 -0.963) 6.135 17.960 ( -0.149 4.571 0.334) 4.585 ======================= Grid point 340 (161/320) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -10.900 -2.281 -3.172) 11.579 3.214 ( 0.882 3.117 -1.045) 3.403 3.779 ( 13.029 11.784 9.094) 19.782 3.942 ( -8.519 10.528 26.049) 29.359 4.342 ( -3.534 -5.185 7.579) 9.839 4.658 ( -1.858 -9.376 14.141) 17.069 5.106 ( 1.082 -1.123 -5.134) 5.365 5.508 ( -1.593 1.329 -4.791) 5.221 5.984 ( -2.682 -3.418 -8.840) 9.850 6.109 ( -3.620 1.058 -4.557) 5.915 6.282 ( 4.181 0.350 -4.476) 6.135 6.384 ( 2.959 -13.568 -1.009) 13.923 6.875 ( 2.935 4.064 2.545) 5.622 7.138 ( -3.823 6.105 3.785) 8.137 7.517 ( 3.518 1.834 -2.961) 4.951 7.902 ( -0.822 3.543 -1.148) 3.814 8.197 ( -2.576 -10.875 0.773) 11.202 8.471 ( 0.628 8.075 -10.644) 13.375 8.820 ( 3.748 -8.794 -1.946) 9.755 8.945 ( 0.001 1.227 3.743) 3.939 9.460 ( -1.132 1.300 4.917) 5.211 9.862 ( -1.537 3.477 4.344) 5.772 11.027 ( 0.376 -3.721 0.532) 3.778 11.361 ( -0.084 -1.453 1.375) 2.002 11.896 ( -7.037 -2.043 -1.147) 7.417 12.181 ( 8.175 -1.017 0.564) 8.258 13.128 ( 1.749 0.470 -4.458) 4.812 13.569 ( -1.735 0.602 -0.928) 2.057 14.115 ( -4.543 -0.060 2.186) 5.042 14.870 ( -1.525 -4.259 8.009) 9.198 15.882 ( 1.620 -0.017 1.814) 2.432 17.415 ( -0.848 2.521 2.224) 3.467 17.889 ( -0.146 2.741 0.116) 2.747 ======================= Grid point 341 (162/320) ======================= q-point: (-0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -12.371 8.198 -1.700) 14.938 3.099 ( -2.317 9.336 3.655) 10.290 3.601 ( 7.561 18.629 14.462) 24.766 3.782 ( 5.232 10.588 11.110) 16.214 4.418 ( -4.279 -4.535 6.545) 9.040 4.803 ( -4.722 -3.680 10.855) 12.397 5.008 ( -1.351 6.249 -5.574) 8.482 5.486 ( -1.213 0.151 -2.226) 2.540 5.906 ( -2.596 4.842 1.936) 5.825 6.161 ( 1.722 4.015 -0.771) 4.436 6.217 ( 1.262 -1.810 -4.498) 5.010 6.580 ( 3.669 -2.214 -6.217) 7.551 6.877 ( 0.917 6.102 3.235) 6.967 7.028 ( -0.514 -5.970 1.452) 6.165 7.565 ( -1.019 -5.106 -4.014) 6.574 7.909 ( 3.678 -3.871 -2.123) 5.746 8.245 ( -2.744 6.042 3.669) 7.583 8.293 ( -0.106 7.803 -4.700) 9.110 8.701 ( 3.694 13.571 -4.278) 14.701 9.109 ( 0.861 -9.308 -0.887) 9.390 9.408 ( -4.041 3.434 6.101) 8.083 9.928 ( -2.090 -10.845 1.403) 11.133 11.068 ( -0.250 -0.156 2.581) 2.597 11.401 ( 1.091 -1.381 -1.162) 2.109 11.768 ( -4.713 6.847 0.805) 8.351 12.258 ( -0.494 -1.443 -11.632) 11.732 13.161 ( 4.102 -2.659 1.537) 5.124 13.565 ( 0.603 -0.566 -0.290) 0.877 14.012 ( -7.728 4.996 -2.289) 9.482 14.921 ( -4.576 -1.346 7.728) 9.082 16.014 ( 9.887 -8.155 2.600) 13.077 17.386 ( -4.281 -0.336 5.455) 6.943 17.865 ( 0.859 0.138 0.404) 0.959 ======================= Grid point 342 (163/320) ======================= q-point: (-0.08 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -10.634 18.196 1.851) 21.156 2.861 ( -2.189 15.697 13.121) 20.575 3.352 ( 9.191 17.249 7.833) 21.056 3.638 ( 6.132 11.436 2.567) 13.228 4.468 ( -1.076 -1.069 0.711) 1.675 4.755 ( -4.022 2.678 -1.305) 5.005 4.924 ( -5.843 2.861 11.007) 12.786 5.460 ( -0.306 1.143 2.217) 2.514 5.785 ( -4.355 6.903 2.661) 8.585 5.999 ( 2.758 9.581 10.576) 14.535 6.329 ( 1.643 -2.049 -7.299) 7.757 6.529 ( 0.946 7.916 -2.458) 8.342 6.705 ( 2.237 3.750 -4.084) 5.978 7.261 ( -5.380 -12.876 -1.136) 14.001 7.667 ( 2.601 -4.524 -0.821) 5.282 7.905 ( 0.352 13.153 0.162) 13.158 8.070 ( -1.874 9.554 1.744) 9.891 8.155 ( 4.414 1.890 -4.103) 6.316 8.488 ( 3.262 8.340 -9.880) 13.335 9.242 ( -1.255 -5.350 2.104) 5.884 9.348 ( -5.435 -0.246 6.584) 8.541 10.178 ( -1.425 -15.532 -0.574) 15.608 11.042 ( -0.782 3.228 3.487) 4.816 11.388 ( 0.344 2.971 -1.992) 3.594 11.632 ( -5.428 3.816 -3.372) 7.443 12.132 ( -3.572 8.346 -15.055) 17.580 13.285 ( 5.288 -5.057 3.032) 7.920 13.582 ( 1.688 -0.065 -1.385) 2.184 13.840 ( -7.409 5.127 -3.036) 9.508 14.895 ( -7.765 0.782 7.492) 10.819 16.327 ( 16.054 -13.502 -0.027) 20.977 17.382 ( -8.233 -2.247 8.622) 12.131 17.894 ( 2.499 -1.342 1.183) 3.074 ======================= Grid point 347 (164/320) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 18.974 -0.000 1.181) 19.011 2.841 ( 8.950 -0.000 17.125) 19.323 3.359 ( 0.009 -0.000 -3.802) 3.802 3.508 ( 21.045 -0.000 -1.410) 21.092 4.117 ( -15.141 0.000 0.956) 15.171 4.558 ( -2.064 0.000 0.377) 2.098 4.647 ( -3.177 0.000 -1.411) 3.476 4.902 ( -0.174 0.000 2.904) 2.909 5.121 ( -2.889 0.000 -4.828) 5.626 5.588 ( -7.616 0.000 10.865) 13.269 5.741 ( -10.384 0.000 1.610) 10.508 6.158 ( -0.670 0.000 10.365) 10.387 6.261 ( 4.311 -0.000 -7.963) 9.055 6.898 ( -11.780 0.000 -6.747) 13.575 7.046 ( -4.838 0.000 -3.034) 5.710 7.319 ( 7.840 -0.000 -4.698) 9.140 7.716 ( -3.982 0.000 1.118) 4.136 7.738 ( -1.292 0.000 5.436) 5.588 8.738 ( -4.501 0.000 10.746) 11.650 9.444 ( 2.359 -0.000 -3.332) 4.083 9.820 ( 4.092 -0.000 -0.820) 4.174 9.881 ( 4.915 -0.000 -1.382) 5.105 10.939 ( 0.895 -0.000 0.982) 1.329 11.233 ( -0.722 0.000 -0.036) 0.723 11.499 ( -2.009 0.000 0.842) 2.178 11.771 ( 10.627 -0.000 6.295) 12.351 13.153 ( -2.143 0.000 -4.963) 5.406 13.693 ( 1.449 -0.000 -0.701) 1.610 13.854 ( -0.026 0.000 1.436) 1.436 14.584 ( -3.674 0.000 5.546) 6.652 16.922 ( -21.058 0.000 13.679) 25.111 17.894 ( 17.789 -0.000 -18.464) 25.639 18.183 ( 3.006 -0.000 4.227) 5.187 ======================= Grid point 348 (165/320) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 15.059 14.735 -0.745) 21.082 2.961 ( 8.079 -1.451 12.427) 14.893 3.346 ( -0.230 0.486 -1.919) 1.993 3.567 ( 7.240 4.147 -0.803) 8.382 4.026 ( -13.552 -1.138 0.962) 13.633 4.587 ( 0.687 0.713 2.592) 2.774 4.811 ( 0.575 -18.121 -3.047) 18.384 4.946 ( -1.202 -5.495 4.434) 7.163 5.179 ( -2.285 -9.690 -1.676) 10.096 5.526 ( -7.864 3.421 7.012) 11.077 5.681 ( -8.377 -4.865 1.627) 9.823 6.278 ( 4.211 -7.534 -9.896) 13.131 6.403 ( -1.123 -11.299 10.342) 15.359 6.819 ( -10.164 -2.602 -5.723) 11.951 7.110 ( -1.331 -9.670 -2.812) 10.158 7.351 ( 4.946 0.339 -4.559) 6.735 7.684 ( -5.248 -4.588 -5.684) 8.995 7.892 ( 2.020 -11.004 10.618) 15.425 8.698 ( -2.545 4.050 9.236) 10.401 9.402 ( 2.118 4.772 -1.498) 5.432 9.745 ( 2.588 10.255 0.902) 10.615 10.054 ( 2.783 -14.040 -0.427) 14.319 10.902 ( 1.365 5.016 0.940) 5.283 11.230 ( -2.328 3.629 -0.255) 4.319 11.329 ( 0.539 7.711 1.150) 7.815 12.016 ( 8.647 -10.536 7.226) 15.427 13.129 ( -0.189 0.302 -4.665) 4.678 13.686 ( 0.981 1.316 -1.570) 2.271 13.854 ( -1.864 -0.741 0.008) 2.005 14.583 ( -1.423 -0.235 6.994) 7.141 16.766 ( -20.233 3.090 10.993) 23.232 17.935 ( 14.461 4.111 -14.713) 21.035 18.205 ( 3.812 1.607 3.135) 5.191 ======================= Grid point 349 (166/320) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 7.471 8.014 -2.261) 11.187 3.116 ( 8.031 -5.580 8.136) 12.721 3.335 ( -0.792 -0.814 2.070) 2.361 3.581 ( 3.789 -2.160 3.723) 5.734 3.960 ( -15.351 -3.894 2.820) 16.086 4.570 ( 0.975 1.550 2.724) 3.282 4.907 ( -1.041 2.008 8.919) 9.202 5.248 ( -2.505 -15.473 -3.959) 16.167 5.431 ( -1.522 -14.420 0.620) 14.514 5.486 ( -3.658 -7.667 1.901) 8.705 5.774 ( -3.432 -10.704 -3.102) 11.661 6.467 ( -1.199 -12.071 -6.248) 13.645 6.522 ( -4.840 -2.727 3.342) 6.483 6.840 ( -2.678 -6.249 -3.733) 7.756 7.272 ( 7.972 -3.642 -1.834) 8.954 7.383 ( -5.905 -4.904 -3.094) 8.276 7.874 ( 0.752 -19.696 -2.149) 19.827 8.178 ( 2.050 -14.279 4.182) 15.020 8.597 ( 1.310 8.098 4.321) 9.272 9.298 ( 0.058 7.995 0.818) 8.037 9.530 ( -0.714 12.571 5.727) 13.833 10.400 ( 1.666 -19.559 2.722) 19.818 10.790 ( 2.244 8.037 0.588) 8.365 11.015 ( -3.301 10.425 1.550) 11.044 11.349 ( 2.179 -2.971 -1.638) 4.032 12.260 ( 6.351 -6.390 8.701) 12.525 13.115 ( 1.824 0.486 -4.896) 5.247 13.661 ( 0.088 0.714 -3.553) 3.625 13.852 ( -2.436 -0.838 -0.516) 2.627 14.607 ( 0.253 -0.638 8.892) 8.918 16.552 ( -18.802 6.044 7.457) 21.110 17.893 ( 11.079 7.268 -10.685) 17.021 18.194 ( 3.384 3.363 2.118) 5.220 ======================= Grid point 350 (167/320) ======================= q-point: (-0.42 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -0.624 -3.924 -0.972) 4.091 3.234 ( 2.522 -0.892 -2.573) 3.711 3.494 ( 0.981 -13.833 15.394) 20.720 3.723 ( 5.239 -7.041 6.815) 11.111 3.965 ( -11.588 -7.030 4.901) 14.412 4.570 ( 0.853 0.838 6.029) 6.146 4.870 ( 0.590 3.153 8.469) 9.056 5.365 ( -1.574 -4.025 2.013) 4.768 5.609 ( -6.667 -10.739 -2.044) 12.804 5.755 ( 0.891 -16.717 -6.299) 17.886 5.952 ( -2.632 -7.490 -6.146) 10.039 6.479 ( -8.534 -1.919 6.928) 11.158 6.680 ( -6.603 -9.891 -11.010) 16.206 6.972 ( 9.634 -9.496 -8.047) 15.740 7.393 ( -7.835 -3.503 -3.259) 9.180 7.472 ( 7.713 -12.370 4.064) 15.134 8.204 ( 3.284 -1.714 2.848) 4.673 8.430 ( 2.748 -8.082 -3.070) 9.072 8.524 ( 4.020 -7.451 -0.532) 8.483 9.067 ( -2.850 15.302 0.286) 15.568 9.378 ( -3.058 3.989 12.015) 13.024 10.572 ( 2.739 10.468 3.288) 11.308 10.815 ( -3.146 -6.978 2.233) 7.973 10.915 ( 2.207 -9.118 1.635) 9.523 11.420 ( 2.978 -2.876 -1.506) 4.406 12.386 ( 3.939 -0.325 9.730) 10.502 13.119 ( 3.670 -0.172 -6.103) 7.124 13.646 ( -1.567 -0.572 -5.256) 5.514 13.857 ( -1.600 -2.297 0.286) 2.814 14.657 ( 1.044 -1.292 10.951) 11.076 16.296 ( -16.544 7.937 3.664) 18.712 17.787 ( 7.801 9.156 -7.074) 13.954 18.143 ( 1.883 4.805 1.279) 5.317 ======================= Grid point 351 (168/320) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -6.582 -10.020 0.166) 11.989 3.252 ( 2.813 -0.151 -2.427) 3.718 3.784 ( -9.055 -12.943 13.046) 20.487 3.937 ( 4.150 -7.866 15.823) 18.151 4.090 ( 2.441 -9.197 6.904) 11.756 4.551 ( -1.965 3.522 11.485) 12.172 4.895 ( 4.920 -2.773 3.423) 6.604 5.455 ( 0.467 -5.299 -0.120) 5.321 5.718 ( -9.316 -9.006 -9.420) 16.020 5.953 ( -5.094 -2.178 -3.111) 6.354 6.051 ( 7.830 -11.145 -6.399) 15.049 6.442 ( -6.714 2.646 -1.046) 7.292 6.732 ( -2.782 -5.187 -0.951) 5.962 7.300 ( 0.663 -13.749 -4.643) 14.527 7.387 ( -4.424 -8.744 -6.575) 11.801 7.812 ( 5.522 -10.970 1.981) 12.440 8.033 ( 4.980 12.277 -0.801) 13.272 8.538 ( 5.954 -2.015 -4.982) 8.021 8.744 ( -4.353 11.734 1.104) 12.564 8.823 ( 0.155 -10.797 2.858) 11.170 9.381 ( -2.283 -2.912 10.249) 10.896 10.341 ( 1.869 15.554 3.332) 16.016 10.848 ( -1.067 -3.608 1.475) 4.041 11.227 ( 0.983 -12.618 2.257) 12.856 11.509 ( 2.912 -5.822 -0.283) 6.515 12.397 ( 3.968 4.712 9.730) 11.516 13.136 ( 3.661 -0.137 -7.737) 8.561 13.611 ( -3.332 0.887 -5.015) 6.086 13.942 ( 0.042 -6.817 2.034) 7.115 14.727 ( 0.557 -2.192 12.335) 12.540 16.040 ( -12.965 7.093 0.437) 14.785 17.649 ( 4.915 9.036 -3.785) 10.960 18.055 ( 0.276 5.519 0.609) 5.559 ======================= Grid point 352 (169/320) ======================= q-point: (-0.25 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -10.063 -7.726 -0.005) 12.686 3.266 ( 3.374 1.150 -1.452) 3.849 3.918 ( -8.836 -6.647 12.632) 16.787 4.079 ( 1.950 1.558 20.250) 20.403 4.284 ( 2.264 -2.288 10.629) 11.105 4.554 ( 2.300 -4.171 10.598) 11.619 5.036 ( 3.943 -6.081 0.069) 7.248 5.488 ( -4.930 1.027 -6.620) 8.318 5.781 ( -2.893 -9.123 -10.628) 14.303 6.041 ( -1.509 -9.052 -0.526) 9.192 6.247 ( 6.292 -3.953 -7.748) 10.735 6.319 ( 0.248 2.915 -1.850) 3.461 6.833 ( -3.457 -6.573 3.663) 8.281 7.243 ( -5.396 5.934 -0.125) 8.022 7.681 ( 3.404 5.900 -2.471) 7.246 7.773 ( -1.901 -14.145 -3.470) 14.688 8.062 ( 3.284 0.779 -4.273) 5.445 8.526 ( -4.547 3.432 -1.468) 5.883 8.674 ( 7.881 -7.159 -5.319) 11.902 8.957 ( -1.306 -2.348 7.675) 8.132 9.458 ( -1.092 -2.758 4.807) 5.648 10.068 ( 0.671 15.053 4.539) 15.737 10.945 ( 1.528 -5.593 0.573) 5.826 11.345 ( -0.164 -1.429 2.649) 3.015 11.692 ( -1.852 -10.691 -1.613) 10.969 12.346 ( 6.537 6.920 7.451) 12.088 13.132 ( 2.005 0.444 -7.490) 7.766 13.558 ( -2.348 0.556 -2.795) 3.693 14.068 ( -0.688 -4.260 3.164) 5.351 14.807 ( -1.309 -3.169 11.380) 11.885 15.871 ( -7.314 1.414 -0.494) 7.466 17.520 ( 2.737 7.073 -0.732) 7.619 17.956 ( -0.652 4.729 0.176) 4.777 ======================= Grid point 353 (170/320) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -9.939 -0.670 0.533) 9.976 3.233 ( 2.153 4.831 -0.436) 5.307 3.910 ( -10.537 7.780 24.290) 27.596 4.063 ( 12.211 6.050 8.126) 15.866 4.325 ( -3.013 -1.624 8.422) 9.091 4.715 ( -0.373 -5.740 11.605) 12.952 5.096 ( 2.185 3.347 -5.822) 7.063 5.395 ( -9.006 -2.392 -6.468) 11.343 5.956 ( 5.524 -7.067 -7.084) 11.430 6.055 ( -1.272 2.028 -2.529) 3.482 6.326 ( 3.208 1.326 -0.923) 3.592 6.423 ( 3.251 -12.719 -3.570) 13.604 6.893 ( -2.580 -0.596 1.962) 3.296 7.085 ( -4.496 5.362 2.916) 7.581 7.559 ( 3.667 5.283 -3.772) 7.455 7.884 ( -0.411 0.343 -1.647) 1.732 8.164 ( -1.814 -10.308 1.163) 10.531 8.415 ( -0.768 5.490 -8.198) 9.896 8.858 ( 1.988 -2.955 -1.905) 4.039 8.988 ( 2.882 -2.004 2.237) 4.162 9.458 ( -2.044 2.361 3.644) 4.799 9.866 ( -1.113 5.735 4.838) 7.585 11.046 ( 1.578 -2.910 0.683) 3.380 11.373 ( 0.235 -1.660 2.432) 2.954 11.782 ( -6.126 -2.079 -1.145) 6.570 12.287 ( 5.022 5.530 -1.483) 7.616 13.140 ( 2.379 -1.920 -3.278) 4.483 13.551 ( 0.212 -1.070 -0.488) 1.195 14.061 ( -3.272 4.083 2.091) 5.634 14.871 ( -3.965 -2.444 8.693) 9.863 15.899 ( -0.616 -7.712 1.209) 7.831 17.428 ( 0.901 4.501 1.901) 4.968 17.886 ( -0.211 1.979 0.165) 1.997 ======================= Grid point 354 (171/320) ======================= q-point: (-0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -7.722 8.353 2.317) 11.609 3.117 ( 1.995 9.405 2.857) 10.030 3.675 ( -5.404 14.502 18.916) 24.440 4.008 ( 13.820 14.196 3.346) 20.093 4.379 ( -5.959 -5.898 9.235) 12.473 4.768 ( -5.027 0.987 4.724) 6.968 4.976 ( -1.149 5.368 -2.680) 6.109 5.410 ( -5.056 -4.825 -2.344) 7.371 5.874 ( -1.162 8.011 -0.670) 8.123 6.195 ( 3.865 -2.470 -1.542) 4.839 6.288 ( 6.487 0.620 4.841) 8.118 6.569 ( 0.253 0.412 -9.195) 9.207 6.868 ( -4.632 4.044 2.553) 6.658 7.019 ( -0.628 -4.039 0.807) 4.167 7.537 ( 0.484 -4.095 -5.002) 6.483 7.965 ( 4.794 -6.904 -2.793) 8.857 8.204 ( -4.598 7.786 3.553) 9.715 8.275 ( 0.978 5.438 -4.177) 6.926 8.744 ( 4.246 12.967 -3.132) 13.999 9.104 ( -0.634 -6.614 -2.796) 7.208 9.380 ( -3.822 4.093 6.951) 8.926 9.913 ( -1.038 -10.047 2.233) 10.344 11.076 ( -0.681 0.455 2.571) 2.699 11.405 ( -0.306 -0.448 -0.815) 0.979 11.699 ( -3.649 5.590 0.681) 6.710 12.187 ( -1.433 5.108 -9.327) 10.730 13.230 ( 3.269 -5.016 -0.278) 5.994 13.586 ( 2.425 -1.065 0.316) 2.667 13.914 ( -3.896 7.602 0.636) 8.566 14.868 ( -6.930 0.420 7.007) 9.864 16.134 ( 3.827 -14.717 2.039) 15.343 17.373 ( -0.660 2.316 3.587) 4.321 17.886 ( 1.417 -1.183 0.753) 1.994 ======================= Grid point 360 (172/320) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 6.668 -0.000 -3.637) 7.596 3.020 ( 3.018 -0.000 11.196) 11.596 3.336 ( -0.605 0.000 -3.064) 3.123 3.636 ( -4.873 0.000 -1.378) 5.064 4.025 ( 5.385 -0.000 -0.340) 5.395 4.505 ( -0.386 0.000 -3.730) 3.750 4.647 ( -0.560 0.000 5.120) 5.150 4.908 ( -0.830 0.000 1.559) 1.766 5.054 ( -2.709 0.000 -2.674) 3.806 5.509 ( -10.379 0.000 9.220) 13.882 5.597 ( -8.242 0.000 1.353) 8.353 6.183 ( 0.481 -0.000 -0.856) 0.982 6.288 ( 2.380 -0.000 -3.698) 4.398 6.724 ( -5.284 0.000 -3.165) 6.159 6.998 ( -0.850 0.000 0.540) 1.008 7.395 ( 5.341 -0.000 -6.588) 8.481 7.584 ( -5.695 0.000 -5.550) 7.952 7.832 ( 1.475 -0.000 13.319) 13.400 8.738 ( -3.155 0.000 12.254) 12.654 9.476 ( 3.569 -0.000 -2.134) 4.158 9.874 ( 3.331 -0.000 -1.009) 3.480 9.932 ( 2.635 -0.000 -1.641) 3.104 10.960 ( 0.836 -0.000 1.036) 1.331 11.220 ( -0.815 0.000 -0.015) 0.815 11.472 ( -1.510 0.000 0.697) 1.663 11.968 ( 8.331 -0.000 10.477) 13.385 13.129 ( 2.267 -0.000 -4.862) 5.365 13.706 ( 0.685 -0.000 -0.801) 1.054 13.819 ( -3.693 0.000 -2.126) 4.261 14.596 ( 0.080 -0.000 8.498) 8.498 16.664 ( -20.306 0.000 9.559) 22.443 18.026 ( 8.552 -0.000 -11.641) 14.445 18.278 ( 8.406 -0.000 0.924) 8.457 ======================= Grid point 361 (173/320) ======================= q-point: (-0.50 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -1.972 13.930 -4.902) 14.899 3.082 ( -3.071 -3.919 8.961) 10.251 3.324 ( -1.482 -0.015 -1.969) 2.464 3.611 ( 2.097 -1.007 -0.165) 2.332 3.914 ( -1.113 8.632 2.934) 9.185 4.609 ( -0.105 0.856 4.533) 4.614 4.799 ( 0.567 -20.110 -7.445) 21.451 4.952 ( -0.827 -2.338 4.701) 5.315 5.152 ( -1.353 -13.008 0.546) 13.090 5.432 ( -8.512 0.901 4.445) 9.645 5.579 ( -5.582 -5.397 1.015) 7.831 6.231 ( -3.427 -6.315 -8.342) 11.009 6.435 ( -1.331 -8.028 6.709) 10.546 6.717 ( 1.687 -3.817 -3.451) 5.416 7.113 ( 2.595 -11.597 -0.569) 11.897 7.384 ( 2.799 2.439 -6.478) 7.467 7.596 ( -2.060 -7.392 -4.581) 8.937 7.969 ( 0.533 -9.657 10.021) 13.927 8.722 ( -1.189 3.205 10.802) 11.330 9.439 ( 3.503 5.660 -1.084) 6.744 9.772 ( 0.307 10.758 0.445) 10.771 10.099 ( 3.007 -13.934 0.192) 14.256 10.926 ( 0.684 4.397 1.067) 4.576 11.198 ( -1.178 5.834 -0.069) 5.952 11.347 ( 0.960 5.198 0.890) 5.360 12.176 ( 5.664 -9.480 11.198) 15.727 13.135 ( 3.960 0.503 -5.407) 6.721 13.682 ( -0.505 2.071 -2.084) 2.981 13.800 ( -3.608 -1.572 -2.806) 4.834 14.629 ( 1.092 -0.399 10.333) 10.398 16.503 ( -19.951 2.834 7.137) 21.378 18.022 ( 4.555 2.687 -8.661) 10.148 18.319 ( 10.062 3.741 -0.334) 10.740 ======================= Grid point 362 (174/320) ======================= q-point: (-0.42 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -9.704 6.605 -3.196) 12.166 3.174 ( -7.216 -7.423 6.154) 12.043 3.325 ( -3.417 -3.428 2.057) 5.259 3.705 ( 9.283 -2.714 4.993) 10.884 3.835 ( -0.211 -1.404 3.794) 4.051 4.600 ( -0.080 0.543 5.251) 5.280 4.945 ( 0.483 1.490 6.664) 6.846 5.186 ( -3.254 -18.124 -4.175) 18.881 5.347 ( -8.624 -9.033 1.145) 12.541 5.444 ( -0.508 -9.125 -2.451) 9.462 5.753 ( 0.904 -12.976 -3.408) 13.446 6.324 ( -10.968 -11.687 -7.018) 17.497 6.451 ( -5.668 1.440 7.302) 9.355 6.882 ( 7.993 -7.514 -4.600) 11.896 7.293 ( -2.251 -0.291 -5.295) 5.761 7.419 ( 10.561 -7.293 0.153) 12.835 7.877 ( 1.372 -23.734 -2.237) 23.879 8.209 ( -0.995 -13.046 4.155) 13.728 8.649 ( 1.826 7.384 5.604) 9.448 9.315 ( 1.755 10.623 0.197) 10.769 9.539 ( -1.920 12.131 5.438) 13.432 10.455 ( 3.070 -19.605 3.200) 20.101 10.817 ( 0.010 7.832 1.183) 7.921 11.001 ( 1.217 9.998 1.268) 10.152 11.374 ( 2.107 -3.406 -1.616) 4.319 12.391 ( 3.930 -5.513 12.037) 13.810 13.144 ( 5.045 0.642 -6.356) 8.140 13.629 ( -1.478 1.413 -4.203) 4.674 13.799 ( -3.009 -1.880 -2.609) 4.404 14.681 ( 1.708 -0.771 12.514) 12.653 16.289 ( -19.087 5.206 4.067) 20.198 17.955 ( 3.045 5.389 -7.005) 9.347 18.288 ( 7.806 6.889 -0.039) 10.411 ======================= Grid point 363 (175/320) ======================= q-point: (-0.33 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -12.107 -6.132 0.195) 13.573 3.246 ( -0.572 -3.035 -0.024) 3.089 3.436 ( -15.662 -13.555 10.493) 23.219 3.863 ( 5.017 -6.877 8.467) 12.006 3.995 ( 11.141 -8.033 6.599) 15.238 4.607 ( -0.614 0.897 7.066) 7.149 4.942 ( 3.445 1.298 6.269) 7.270 5.352 ( -2.732 -6.327 2.251) 7.250 5.435 ( -10.324 -9.569 -3.742) 14.566 5.769 ( 3.690 -19.379 -9.673) 21.971 5.905 ( 1.698 -4.014 -4.910) 6.565 6.376 ( -10.455 -1.989 5.031) 11.771 6.507 ( -7.916 -13.156 -2.922) 15.629 7.063 ( 7.969 -7.952 -9.780) 14.913 7.251 ( -6.120 -1.475 -2.321) 6.709 7.682 ( 13.351 -10.183 2.344) 16.954 8.253 ( 1.325 -3.740 1.663) 4.303 8.432 ( -0.573 -9.666 -1.683) 9.828 8.577 ( 2.977 -5.882 -0.524) 6.613 9.046 ( 0.162 17.793 0.139) 17.794 9.395 ( -2.505 3.633 10.738) 11.609 10.616 ( 0.403 11.466 2.657) 11.776 10.781 ( -1.948 -5.932 2.546) 6.743 11.003 ( 7.088 -10.109 2.249) 12.550 11.456 ( 2.736 -3.573 -2.094) 4.964 12.503 ( 4.252 0.090 12.042) 12.771 13.154 ( 4.758 0.605 -7.690) 9.063 13.585 ( -2.330 0.607 -5.592) 6.088 13.829 ( -1.346 -4.671 -1.386) 5.055 14.746 ( 1.526 -0.842 14.880) 14.982 16.045 ( -17.263 6.021 0.579) 18.293 17.836 ( 2.756 7.842 -5.261) 9.837 18.191 ( 3.639 7.962 0.410) 8.764 ======================= Grid point 364 (176/320) ======================= q-point: (-0.25 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -10.166 -10.720 2.077) 14.919 3.295 ( 3.339 -1.056 -0.844) 3.602 3.603 ( -19.748 -15.325 13.923) 28.613 4.075 ( 4.061 -8.484 9.173) 13.138 4.264 ( 8.278 -7.205 11.594) 15.964 4.586 ( 0.075 2.038 8.786) 9.019 5.005 ( 6.809 -2.185 3.647) 8.027 5.426 ( -5.138 -2.580 -5.035) 7.643 5.543 ( -4.501 -10.868 -5.437) 12.959 5.898 ( -0.024 -4.392 -1.521) 4.648 6.149 ( 8.908 -11.573 -8.345) 16.820 6.330 ( -7.237 0.145 1.250) 7.346 6.674 ( -4.074 -9.341 -0.018) 10.191 7.192 ( -7.826 -2.841 -2.184) 8.607 7.350 ( 2.426 -16.742 -7.253) 18.406 7.929 ( 6.762 0.895 0.127) 6.822 8.105 ( 4.742 7.156 -1.608) 8.734 8.572 ( 0.321 -6.440 -3.067) 7.141 8.670 ( -3.638 11.412 -0.608) 11.993 8.876 ( 3.628 -6.909 4.026) 8.780 9.402 ( -1.273 -2.579 8.218) 8.707 10.370 ( -0.415 14.871 3.055) 15.187 10.860 ( 1.460 -4.713 1.614) 5.192 11.271 ( 2.660 -8.773 2.942) 9.628 11.542 ( 2.031 -4.756 -1.726) 5.452 12.528 ( 6.174 4.495 10.053) 12.625 13.145 ( 2.730 1.243 -8.863) 9.357 13.540 ( -2.408 0.476 -4.194) 4.859 13.956 ( 1.455 -8.079 0.166) 8.211 14.806 ( -0.261 -0.391 16.293) 16.299 15.828 ( -13.563 3.163 -2.327) 14.120 17.690 ( 2.656 8.510 -2.820) 9.350 18.062 ( 0.062 7.201 0.410) 7.212 ======================= Grid point 365 (177/320) ======================= q-point: (-0.17 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -6.678 -7.230 3.095) 10.317 3.316 ( 3.695 1.815 -1.691) 4.451 3.771 ( -17.642 -13.070 19.455) 29.336 4.223 ( 0.999 0.842 11.638) 11.711 4.353 ( 0.484 0.265 6.701) 6.724 4.664 ( 3.836 -4.252 10.170) 11.672 5.122 ( 7.200 -2.679 1.249) 7.783 5.318 ( -8.733 4.079 -9.514) 13.543 5.763 ( 4.094 -13.582 -4.027) 14.746 6.040 ( 1.884 -7.014 -2.188) 7.585 6.269 ( 1.362 -1.473 -1.940) 2.791 6.347 ( 4.343 -3.521 -5.254) 7.673 6.787 ( -4.184 -5.621 1.714) 7.213 7.134 ( -7.655 1.543 0.353) 7.817 7.684 ( -0.016 -7.032 -4.760) 8.492 7.771 ( 2.461 0.098 -0.331) 2.485 8.101 ( 4.747 4.671 -4.983) 8.318 8.445 ( -4.992 3.515 -1.017) 6.189 8.744 ( 3.530 -8.063 -3.025) 9.307 8.997 ( 1.776 -2.016 5.460) 6.085 9.461 ( -1.281 -1.575 3.610) 4.142 10.089 ( -0.897 14.928 3.987) 15.477 10.987 ( 3.033 -5.575 0.895) 6.410 11.363 ( 0.310 -0.909 3.286) 3.424 11.652 ( -1.670 -6.144 -1.725) 6.597 12.476 ( 5.444 8.406 4.385) 10.933 13.119 ( 1.547 -0.113 -7.697) 7.851 13.528 ( -0.311 -1.240 -0.497) 1.371 14.086 ( 1.787 -2.259 1.606) 3.298 14.839 ( -3.242 -0.418 13.783) 14.166 15.747 ( -7.555 -4.717 -2.062) 9.142 17.556 ( 2.102 7.214 -0.185) 7.517 17.942 ( -1.268 4.708 0.152) 4.878 ======================= Grid point 366 (178/320) ======================= q-point: (-0.08 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -3.103 0.121 4.311) 5.313 3.271 ( 3.308 5.180 -2.261) 6.549 3.859 ( -12.509 0.763 26.474) 29.290 4.180 ( -2.038 -0.033 6.606) 6.913 4.360 ( 1.443 3.591 3.516) 5.229 4.751 ( -2.477 -0.790 9.442) 9.793 5.075 ( -3.042 7.619 -9.283) 12.389 5.279 ( 2.014 -4.383 0.583) 4.858 6.032 ( 2.134 3.101 -3.467) 5.118 6.057 ( 7.924 -8.759 -3.541) 12.331 6.373 ( 3.187 0.132 0.113) 3.192 6.434 ( 0.799 -10.096 -5.415) 11.485 6.816 ( -7.630 -1.760 1.159) 7.915 7.051 ( -1.797 2.480 3.121) 4.373 7.577 ( 1.262 6.751 -4.297) 8.101 7.876 ( 0.726 -2.932 -1.754) 3.492 8.169 ( 1.550 -7.647 2.232) 8.116 8.366 ( -0.390 3.709 -6.902) 7.845 8.870 ( 0.635 -2.327 -0.475) 2.458 9.031 ( 1.645 -0.285 -0.806) 1.853 9.440 ( -2.499 2.820 3.406) 5.079 9.875 ( -1.094 6.249 4.674) 7.880 11.075 ( 1.279 -1.281 0.886) 2.016 11.385 ( -0.588 -0.955 2.230) 2.496 11.713 ( -1.904 -2.101 0.063) 2.836 12.314 ( 0.233 10.833 -3.257) 11.314 13.157 ( 2.124 -3.871 -4.734) 6.474 13.575 ( 2.064 -2.476 2.190) 3.898 14.048 ( 0.168 6.937 2.680) 7.439 14.843 ( -5.371 -0.006 8.882) 10.379 15.878 ( -2.418 -13.011 0.531) 13.244 17.454 ( 1.059 5.145 1.505) 5.464 17.885 ( -0.142 0.625 0.259) 0.691 ======================= Grid point 373 (179/320) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -8.193 0.000 -6.430) 10.415 2.955 ( -19.010 0.000 7.629) 20.484 3.303 ( -1.290 0.000 -3.189) 3.440 3.623 ( 8.928 -0.000 -0.929) 8.976 4.090 ( -2.235 0.000 2.253) 3.174 4.532 ( 5.713 -0.000 -3.725) 6.821 4.659 ( -1.266 0.000 4.349) 4.530 4.890 ( -1.930 0.000 1.188) 2.267 5.025 ( 0.001 -0.000 0.172) 0.172 5.360 ( -12.441 0.000 3.498) 12.923 5.500 ( -6.407 0.000 3.441) 7.272 6.164 ( 0.790 -0.000 -6.450) 6.498 6.316 ( 2.275 -0.000 3.555) 4.220 6.722 ( 5.967 -0.000 -3.225) 6.783 7.012 ( 1.193 -0.000 2.180) 2.485 7.401 ( 0.115 -0.000 -7.397) 7.398 7.511 ( 0.017 -0.000 -4.817) 4.817 7.912 ( 0.823 -0.000 10.945) 10.976 8.770 ( -1.470 0.000 12.842) 12.926 9.530 ( 4.438 -0.000 -1.360) 4.642 9.904 ( 0.899 -0.000 -1.447) 1.704 9.950 ( 1.269 -0.000 -1.598) 2.040 10.969 ( -0.492 0.000 1.068) 1.176 11.217 ( 0.617 -0.000 0.001) 0.617 11.464 ( 0.104 -0.000 0.698) 0.706 12.135 ( 5.019 -0.000 14.446) 15.293 13.159 ( 4.791 -0.000 -6.606) 8.161 13.701 ( -1.363 0.000 -1.371) 1.933 13.736 ( -3.625 0.000 -4.485) 5.767 14.664 ( 1.505 -0.000 11.999) 12.093 16.390 ( -20.364 0.000 5.857) 21.190 18.042 ( 0.358 -0.000 -6.034) 6.045 18.450 ( 13.564 -0.000 -2.415) 13.777 ======================= Grid point 374 (180/320) ======================= q-point: (-0.42 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -16.933 14.273 -4.044) 22.512 2.902 ( -22.878 -8.292 6.361) 25.152 3.293 ( -0.313 -0.368 -3.279) 3.314 3.748 ( 14.206 -2.930 1.570) 14.589 3.933 ( -2.875 7.812 4.355) 9.394 4.621 ( -1.841 0.995 4.644) 5.093 4.771 ( 2.289 -17.170 -7.137) 18.734 4.958 ( -2.087 -2.821 3.750) 5.136 5.130 ( -2.705 -9.947 2.784) 10.678 5.313 ( -7.867 -4.692 0.557) 9.176 5.507 ( -4.209 -6.873 0.546) 8.078 6.151 ( -0.683 -0.613 -3.458) 3.578 6.455 ( -0.867 -3.501 8.777) 9.489 6.788 ( 8.791 -5.787 -6.536) 12.389 7.169 ( 4.894 -12.285 -1.867) 13.355 7.376 ( 1.109 -0.592 -6.055) 6.184 7.576 ( 1.917 -8.499 -3.849) 9.525 8.015 ( -0.582 -7.328 8.408) 11.168 8.770 ( -0.215 2.791 10.789) 11.146 9.495 ( 4.148 6.343 -1.162) 7.667 9.759 ( -2.060 10.755 0.145) 10.951 10.146 ( 2.847 -15.442 0.010) 15.703 10.928 ( -1.115 4.033 1.149) 4.339 11.204 ( 2.071 5.483 0.117) 5.862 11.367 ( 1.185 4.708 0.597) 4.892 12.318 ( 4.150 -8.573 15.036) 17.798 13.174 ( 4.717 0.298 -7.991) 9.284 13.642 ( -2.752 2.148 -4.234) 5.488 13.732 ( -2.590 -1.673 -3.184) 4.432 14.717 ( 1.896 -0.598 13.926) 14.067 16.219 ( -20.414 2.610 3.881) 20.943 18.007 ( -1.190 1.751 -5.014) 5.443 18.494 ( 12.824 5.862 -2.451) 14.312 ======================= Grid point 375 (181/320) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -19.948 3.357 0.030) 20.229 2.950 ( -23.841 -14.267 8.596) 29.083 3.296 ( 0.295 -1.108 -2.630) 2.869 3.836 ( -0.015 -0.831 5.768) 5.828 3.987 ( 15.166 -5.760 4.912) 16.950 4.622 ( -0.268 -0.327 4.844) 4.862 4.974 ( -1.541 -1.849 3.736) 4.444 5.088 ( -7.013 -13.964 -0.351) 15.630 5.251 ( -3.323 -8.179 -0.191) 8.830 5.434 ( 1.378 -12.499 -4.528) 13.366 5.733 ( -0.998 -16.122 -3.711) 16.574 6.156 ( -5.493 -3.406 -0.505) 6.483 6.433 ( -2.819 2.963 9.664) 10.494 6.984 ( 8.629 -6.835 -7.464) 13.300 7.238 ( -0.708 2.332 -7.200) 7.601 7.587 ( 9.800 -11.967 -0.149) 15.469 7.904 ( 3.953 -24.147 -2.018) 24.551 8.196 ( -3.121 -11.386 3.904) 12.435 8.704 ( 1.363 7.312 5.193) 9.071 9.349 ( 2.574 12.654 -0.856) 12.941 9.531 ( -2.559 10.269 5.329) 11.849 10.519 ( 3.109 -19.263 1.873) 19.602 10.804 ( -2.033 8.263 1.570) 8.654 11.071 ( 6.511 7.528 1.327) 10.041 11.394 ( 1.652 -3.847 -2.200) 4.729 12.528 ( 5.187 -5.115 14.933) 16.615 13.179 ( 4.037 0.420 -9.057) 9.925 13.574 ( -2.373 1.489 -5.740) 6.387 13.739 ( -2.390 -2.689 -3.017) 4.695 14.787 ( 2.074 -0.845 16.203) 16.357 16.001 ( -19.891 4.466 1.140) 20.418 17.933 ( -1.289 3.669 -4.477) 5.930 18.417 ( 8.702 10.562 -1.424) 13.758 ======================= Grid point 376 (182/320) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -14.159 -11.084 3.436) 18.307 3.100 ( -21.693 -17.484 10.896) 29.917 3.333 ( 0.425 -3.003 -1.120) 3.234 3.933 ( -2.142 -8.283 5.321) 10.075 4.244 ( 12.731 -6.531 10.607) 17.811 4.635 ( 0.699 0.771 4.797) 4.909 5.024 ( 2.994 -2.581 3.463) 5.255 5.218 ( -9.678 -10.005 -3.304) 14.307 5.369 ( -1.524 -6.275 3.024) 7.130 5.752 ( 1.407 -14.920 -9.278) 17.626 5.969 ( 8.849 -10.009 -4.698) 14.162 6.207 ( -11.112 -7.302 2.948) 13.619 6.450 ( -2.040 -6.170 6.283) 9.039 7.111 ( 2.989 -2.528 -6.782) 7.831 7.191 ( 1.952 -1.853 -6.067) 6.637 7.866 ( 8.535 -10.123 0.320) 13.245 8.261 ( -1.065 -3.974 0.896) 4.211 8.402 ( -1.903 -10.211 -1.704) 10.526 8.613 ( 2.147 -2.364 -0.367) 3.214 9.073 ( 3.130 16.791 -0.314) 17.083 9.413 ( -2.020 2.743 9.555) 10.144 10.609 ( -2.364 11.004 1.873) 11.410 10.788 ( 0.721 -6.287 2.262) 6.721 11.144 ( 9.214 -7.474 1.955) 12.024 11.480 ( 2.332 -4.129 -3.438) 5.857 12.657 ( 7.388 0.478 12.425) 14.463 13.167 ( 2.613 1.214 -9.784) 10.200 13.519 ( -2.514 0.679 -4.988) 5.626 13.814 ( 1.298 -7.356 -2.685) 7.937 14.857 ( 1.136 0.017 18.982) 19.016 15.767 ( -17.950 4.016 -2.458) 18.557 17.828 ( -0.278 5.687 -3.530) 6.699 18.247 ( 2.931 11.604 -0.058) 11.969 ======================= Grid point 377 (183/320) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -5.458 -13.577 4.706) 15.371 3.286 ( -11.463 -11.721 5.064) 17.159 3.416 ( -6.337 -8.656 8.521) 13.700 4.100 ( -6.690 -10.623 4.765) 13.428 4.402 ( 1.687 0.671 10.075) 10.237 4.668 ( 4.679 -1.644 8.517) 9.856 5.131 ( 6.333 -3.609 1.604) 7.464 5.281 ( -5.235 -2.619 -7.190) 9.271 5.525 ( 1.228 -11.719 1.328) 11.858 5.911 ( 1.678 -7.305 -2.491) 7.898 6.224 ( 2.146 -5.944 -0.443) 6.335 6.266 ( 2.266 -6.609 -2.618) 7.461 6.618 ( -3.020 -10.095 0.588) 10.553 7.091 ( -3.599 1.013 -1.363) 3.979 7.367 ( 4.367 -14.806 -6.305) 16.674 7.998 ( 2.399 9.021 -0.886) 9.377 8.148 ( 1.971 0.159 -3.605) 4.112 8.519 ( -5.064 1.125 1.018) 5.287 8.637 ( -0.317 0.392 -2.967) 3.009 8.968 ( 5.484 -2.820 2.809) 6.776 9.427 ( -0.686 -1.936 6.906) 7.205 10.362 ( -2.240 13.978 2.252) 14.335 10.901 ( 2.225 -5.799 2.118) 6.562 11.334 ( 3.579 -4.613 2.256) 6.259 11.559 ( 1.977 -3.505 -2.923) 4.973 12.679 ( 6.620 6.312 6.823) 11.412 13.121 ( 0.862 1.674 -10.731) 10.895 13.499 ( -1.197 -1.105 -0.190) 1.640 14.006 ( 6.311 -9.018 -2.436) 11.273 14.886 ( -2.159 2.430 20.463) 20.719 15.601 ( -12.719 -1.443 -5.072) 13.769 17.704 ( 0.805 6.958 -1.575) 7.179 18.055 ( -1.462 8.948 0.570) 9.084 ======================= Grid point 378 (184/320) ======================= q-point: (-0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 1.303 -7.867 5.535) 9.706 3.339 ( 0.012 -0.020 -4.496) 4.496 3.622 ( -14.444 -15.650 22.469) 30.958 4.189 ( -11.151 -3.290 4.132) 12.339 4.366 ( -1.717 1.979 4.934) 5.586 4.757 ( 0.494 -0.866 11.120) 11.165 5.157 ( -2.144 5.220 -7.097) 9.067 5.291 ( 8.703 -2.094 2.521) 9.300 5.823 ( 4.461 -15.906 -1.231) 16.565 6.063 ( 2.737 -6.273 -3.492) 7.683 6.307 ( 4.535 -3.143 -0.233) 5.523 6.374 ( 2.653 -2.255 -4.265) 5.506 6.723 ( -4.150 -3.607 -1.046) 5.597 7.038 ( -4.948 -0.046 1.606) 5.202 7.660 ( 0.182 -5.631 -3.769) 6.779 7.814 ( 2.935 1.227 -0.417) 3.209 8.153 ( 5.542 4.240 -5.708) 9.015 8.363 ( -5.165 1.204 0.386) 5.317 8.756 ( -0.168 -7.883 -1.366) 8.002 9.054 ( 2.495 -0.479 2.202) 3.362 9.459 ( -1.243 0.033 3.535) 3.748 10.081 ( -2.401 14.001 2.937) 14.506 11.037 ( 2.119 -4.935 1.493) 5.574 11.385 ( 0.592 0.265 2.175) 2.270 11.636 ( 0.927 -4.318 -1.072) 4.545 12.541 ( 1.200 12.471 -0.209) 12.530 13.102 ( 1.792 -1.789 -8.444) 8.816 13.540 ( 0.472 -2.893 3.412) 4.498 14.150 ( 6.010 0.145 -0.230) 6.016 14.852 ( -4.903 2.423 15.133) 16.091 15.628 ( -5.550 -9.965 -2.583) 11.695 17.577 ( 0.265 6.841 0.771) 6.889 17.918 ( -1.935 3.971 0.238) 4.424 ======================= Grid point 386 (185/320) ======================= q-point: (-0.42 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -19.335 0.000 -5.413) 20.078 2.601 ( -28.445 0.000 6.061) 29.083 3.275 ( -0.162 0.000 -3.235) 3.239 3.845 ( 15.679 -0.000 1.736) 15.774 3.923 ( -20.274 0.000 4.480) 20.763 4.606 ( 6.125 -0.000 -7.170) 9.430 4.665 ( -0.159 0.000 4.997) 5.000 4.885 ( 0.446 -0.000 2.799) 2.834 5.043 ( 0.845 -0.000 2.137) 2.298 5.185 ( -10.362 0.000 -0.420) 10.370 5.433 ( -4.606 0.000 4.120) 6.180 6.184 ( 5.102 -0.000 -1.928) 5.454 6.398 ( 4.812 -0.000 5.718) 7.473 6.830 ( 9.772 -0.000 -5.340) 11.135 7.049 ( 2.645 -0.000 0.399) 2.675 7.349 ( -1.529 0.000 -6.063) 6.252 7.502 ( 1.390 -0.000 -5.071) 5.258 7.983 ( 2.179 -0.000 8.462) 8.738 8.821 ( -0.629 0.000 11.837) 11.853 9.590 ( 3.776 -0.000 -1.278) 3.987 9.879 ( -2.716 0.000 -1.801) 3.259 9.964 ( 1.536 -0.000 -2.055) 2.565 10.957 ( -1.625 0.000 0.986) 1.901 11.237 ( 1.745 -0.000 0.136) 1.751 11.482 ( 1.810 -0.000 0.556) 1.893 12.291 ( 4.587 -0.000 18.112) 18.683 13.183 ( 3.209 -0.000 -10.092) 10.590 13.615 ( -5.017 0.000 -6.791) 8.443 13.700 ( -0.895 0.000 -1.231) 1.522 14.765 ( 2.123 -0.000 15.332) 15.478 16.091 ( -21.201 0.000 3.219) 21.444 17.993 ( -2.780 0.000 -4.030) 4.896 18.655 ( 14.437 -0.000 -3.509) 14.857 ======================= Grid point 387 (186/320) ======================= q-point: (-0.33 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -25.263 14.203 -0.107) 28.982 2.528 ( -27.854 -10.367 5.894) 30.300 3.276 ( 0.055 -0.592 -3.095) 3.152 3.763 ( -21.187 -2.896 5.780) 22.152 4.034 ( 18.045 -3.749 2.785) 18.640 4.618 ( 0.336 -0.756 1.302) 1.543 4.803 ( 3.073 -9.075 -0.288) 9.586 4.924 ( -2.996 -4.183 0.420) 5.162 5.089 ( -3.638 -4.152 0.558) 5.549 5.236 ( -1.901 -10.133 1.948) 10.492 5.468 ( -0.907 -7.391 0.835) 7.493 6.188 ( 5.030 3.262 2.306) 6.423 6.498 ( 0.079 0.440 9.272) 9.283 6.889 ( 8.950 -5.731 -8.666) 13.712 7.215 ( 2.960 -5.715 -6.955) 9.476 7.383 ( 3.834 -10.120 -3.241) 11.297 7.597 ( 2.452 -11.458 -2.728) 12.030 8.055 ( 1.087 -3.521 6.717) 7.662 8.821 ( -0.380 2.892 9.498) 9.935 9.546 ( 3.174 6.541 -1.772) 7.483 9.717 ( -3.112 9.945 -0.016) 10.421 10.183 ( 2.266 -17.729 -1.506) 17.937 10.910 ( -1.773 4.083 1.060) 4.576 11.252 ( 3.323 2.115 0.218) 3.945 11.394 ( 2.270 6.473 0.183) 6.862 12.481 ( 6.172 -8.374 17.953) 20.749 13.174 ( 1.407 -0.341 -12.233) 12.319 13.553 ( -4.421 0.533 -7.057) 8.345 13.689 ( -1.545 -0.284 -1.339) 2.064 14.832 ( 2.454 -0.752 16.747) 16.942 15.909 ( -21.573 2.415 1.980) 21.798 17.948 ( -3.105 1.239 -3.591) 4.906 18.676 ( 12.210 8.169 -3.354) 15.068 ======================= Grid point 388 (187/320) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -21.861 -2.847 4.679) 22.537 2.599 ( -26.093 -17.406 9.064) 32.650 3.285 ( -0.928 -2.163 -2.516) 3.445 3.745 ( -15.006 -8.070 5.134) 17.795 4.269 ( 15.334 -5.230 7.657) 17.919 4.655 ( 2.326 -0.862 2.828) 3.762 4.911 ( -5.657 -7.007 -0.482) 9.019 5.020 ( -3.099 -5.401 1.817) 6.486 5.228 ( -0.902 -9.426 2.511) 9.797 5.435 ( 2.057 -14.755 -5.773) 15.977 5.721 ( 2.958 -16.012 -1.936) 16.398 6.161 ( 2.574 3.574 6.642) 7.970 6.462 ( 0.542 2.908 8.553) 9.050 7.057 ( 5.696 -5.671 -8.339) 11.582 7.199 ( 1.496 1.766 -8.574) 8.881 7.692 ( 4.160 -14.293 -1.617) 14.973 7.973 ( 4.485 -21.702 -1.472) 22.209 8.171 ( -1.215 -8.821 2.954) 9.381 8.742 ( 0.183 7.575 4.106) 8.619 9.381 ( 2.471 13.095 -1.775) 13.444 9.521 ( -2.211 8.068 5.060) 9.777 10.566 ( 2.514 -17.511 -0.432) 17.696 10.783 ( -1.478 7.733 1.348) 7.987 11.201 ( 8.840 4.241 1.277) 9.887 11.402 ( 1.411 -4.086 -3.556) 5.598 12.721 ( 9.370 -4.732 15.222) 18.490 13.158 ( 0.394 -0.893 -13.816) 13.850 13.495 ( -3.429 0.463 -5.274) 6.308 13.704 ( -0.186 -3.710 -2.109) 4.271 14.914 ( 2.350 -0.767 18.822) 18.983 15.685 ( -21.048 3.744 -0.416) 21.382 17.882 ( -2.401 2.510 -3.113) 4.664 18.526 ( 5.961 14.147 -1.754) 15.451 ======================= Grid point 389 (188/320) ======================= q-point: (-0.17 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -8.194 -18.192 6.382) 20.948 2.802 ( -23.051 -21.177 11.509) 33.351 3.340 ( 0.254 -4.432 -2.011) 4.874 3.828 ( -14.335 -10.775 4.883) 18.586 4.451 ( 5.873 -1.042 9.805) 11.477 4.703 ( 5.042 -1.020 5.356) 7.426 5.037 ( -1.553 -9.216 -4.770) 10.493 5.115 ( -1.644 -7.501 0.974) 7.740 5.371 ( -0.803 -7.471 4.974) 9.011 5.725 ( 0.693 -12.713 -7.302) 14.678 6.054 ( 1.308 -16.527 -0.478) 16.586 6.169 ( 5.787 -1.975 5.305) 8.095 6.488 ( 2.680 -2.076 6.009) 6.899 7.098 ( 0.722 0.731 -4.382) 4.501 7.232 ( 6.886 -4.215 -8.573) 11.776 7.933 ( 0.551 -9.996 -1.243) 10.088 8.228 ( -3.845 -3.125 0.993) 5.054 8.365 ( -1.010 -7.340 -3.312) 8.115 8.640 ( 1.484 0.282 -0.504) 1.593 9.131 ( 4.422 13.599 -0.697) 14.317 9.434 ( -1.458 1.703 8.620) 8.907 10.577 ( -2.499 10.431 1.237) 10.797 10.814 ( 1.150 -6.179 1.640) 6.496 11.295 ( 8.356 -4.002 1.365) 9.365 11.497 ( 3.256 -4.851 -5.604) 8.095 12.840 ( 7.808 2.729 7.321) 11.046 13.124 ( -0.111 1.179 -14.391) 14.439 13.470 ( -1.512 -0.810 1.089) 2.031 13.859 ( 7.539 -10.898 -4.365) 13.952 14.979 ( 0.132 1.641 23.160) 23.219 15.469 ( -17.412 1.235 -4.995) 18.156 17.801 ( -1.026 4.006 -2.095) 4.636 18.266 ( -0.974 14.448 0.440) 14.487 ======================= Grid point 390 (189/320) ======================= q-point: (-0.08 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 3.308 -17.177 6.157) 18.544 3.064 ( -18.677 -20.038 10.301) 29.265 3.428 ( 0.633 -4.755 1.505) 5.028 3.922 ( -17.935 -10.696 4.391) 21.339 4.450 ( 0.585 4.056 4.769) 6.288 4.785 ( 1.968 -0.698 12.835) 13.004 5.145 ( -0.983 -4.194 -6.680) 7.948 5.269 ( 3.531 -6.519 -0.163) 7.415 5.577 ( 3.979 -12.851 2.970) 13.777 5.899 ( -1.379 -9.514 -2.035) 9.827 6.242 ( -0.336 -8.715 7.406) 11.442 6.366 ( 11.119 -2.654 -6.035) 12.927 6.590 ( -0.930 -6.255 0.038) 6.324 7.069 ( 1.845 3.464 -1.621) 4.246 7.419 ( 5.961 -13.421 -4.456) 15.347 8.002 ( -0.922 10.893 -1.316) 11.011 8.123 ( -1.847 -5.671 -5.068) 7.826 8.448 ( -5.087 4.260 1.884) 6.897 8.613 ( -0.485 -2.556 -3.892) 4.681 9.065 ( 5.081 -0.620 2.134) 5.546 9.450 ( -0.936 -1.088 6.144) 6.310 10.330 ( -2.915 13.797 1.260) 14.158 10.943 ( 1.376 -6.545 2.524) 7.149 11.395 ( 2.745 -1.337 0.558) 3.103 11.584 ( 3.804 -2.819 -3.415) 5.837 12.770 ( 2.000 10.069 -0.889) 10.304 13.068 ( 0.518 -0.215 -11.263) 11.277 13.502 ( -0.309 -2.156 4.850) 5.317 14.133 ( 12.478 -8.462 -6.059) 16.249 14.941 ( -6.270 5.934 22.946) 24.516 15.410 ( -6.625 -7.157 -5.021) 10.969 17.702 ( -0.584 5.981 0.045) 6.010 18.016 ( -4.269 9.312 1.165) 10.309 ======================= Grid point 399 (190/320) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -26.336 0.000 -1.426) 26.375 2.185 ( -29.024 0.000 7.961) 30.096 3.263 ( 0.632 -0.000 -2.989) 3.055 3.479 ( -37.406 0.000 9.302) 38.545 4.152 ( 19.331 -0.000 1.978) 19.432 4.635 ( 4.157 -0.000 -8.284) 9.268 4.721 ( 2.254 -0.000 7.458) 7.791 4.927 ( 2.504 -0.000 1.789) 3.077 5.032 ( -4.990 0.000 -0.290) 4.998 5.082 ( -0.456 0.000 1.294) 1.372 5.401 ( -2.645 0.000 4.905) 5.573 6.286 ( 6.686 -0.000 2.746) 7.228 6.512 ( 5.261 -0.000 6.720) 8.534 6.949 ( 9.261 -0.000 -6.861) 11.526 7.097 ( 4.555 -0.000 -3.636) 5.828 7.298 ( -1.063 0.000 -4.278) 4.408 7.490 ( 0.288 -0.000 -4.454) 4.463 8.079 ( 5.176 -0.000 6.283) 8.141 8.867 ( -1.091 0.000 10.155) 10.214 9.623 ( 1.281 -0.000 -1.492) 1.966 9.811 ( -4.579 0.000 -1.679) 4.877 9.969 ( 1.067 -0.000 -4.443) 4.569 10.936 ( -1.526 0.000 0.867) 1.755 11.262 ( 1.096 -0.000 0.232) 1.120 11.527 ( 3.533 -0.000 0.320) 3.547 12.480 ( 7.070 -0.000 18.888) 20.168 13.126 ( -2.593 0.000 -16.362) 16.566 13.502 ( -4.592 0.000 -4.678) 6.555 13.678 ( -1.244 0.000 -0.645) 1.402 14.889 ( 2.921 -0.000 16.709) 16.962 15.766 ( -22.627 0.000 2.901) 22.813 17.923 ( -3.596 0.000 -3.090) 4.741 18.853 ( 13.662 -0.000 -4.918) 14.520 ======================= Grid point 400 (191/320) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -28.662 12.383 5.489) 31.702 2.134 ( -27.071 -11.938 8.676) 30.832 3.215 ( -14.957 -0.862 1.328) 15.041 3.396 ( -20.267 -12.339 5.873) 24.444 4.331 ( 16.959 -2.819 3.724) 17.591 4.656 ( 4.045 -1.228 0.098) 4.228 4.816 ( -2.659 -1.854 0.986) 3.388 4.894 ( 0.483 -4.898 -2.538) 5.538 5.061 ( 0.332 -4.747 1.210) 4.910 5.260 ( 1.559 -8.728 6.023) 10.718 5.495 ( 4.249 -11.807 0.220) 12.550 6.294 ( 3.576 4.429 8.040) 9.851 6.558 ( 2.787 2.873 6.429) 7.574 6.968 ( 7.208 -3.716 -9.497) 12.489 7.192 ( 0.045 -1.491 -7.827) 7.968 7.451 ( 6.112 -13.076 -3.883) 14.947 7.611 ( 0.958 -16.341 -1.573) 16.445 8.125 ( 3.945 0.376 4.589) 6.064 8.853 ( -1.556 3.280 8.122) 8.896 9.569 ( 1.073 5.932 -2.135) 6.395 9.671 ( -2.358 8.074 -0.523) 8.427 10.199 ( 1.940 -20.827 -4.634) 21.424 10.890 ( -1.349 4.159 0.897) 4.463 11.290 ( 1.230 -1.779 -0.272) 2.180 11.449 ( 4.852 8.428 -0.313) 9.729 12.702 ( 10.377 -9.676 14.876) 20.557 13.056 ( -6.482 -1.751 -20.775) 21.833 13.466 ( -2.563 0.200 0.443) 2.608 13.665 ( -1.051 -0.192 -0.505) 1.181 14.966 ( 3.352 -0.884 16.458) 16.819 15.575 ( -22.912 2.320 3.550) 23.301 17.881 ( -3.127 0.756 -2.645) 4.164 18.827 ( 9.461 11.431 -4.625) 15.542 ======================= Grid point 401 (192/320) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -15.541 -13.286 9.121) 22.388 2.262 ( -23.523 -19.505 10.966) 32.466 3.175 ( -16.444 -8.399 1.451) 18.522 3.515 ( -12.652 -11.035 4.979) 17.511 4.502 ( 8.213 -1.898 7.574) 11.332 4.732 ( 5.199 -1.243 2.122) 5.752 4.835 ( -2.396 -7.057 -3.559) 8.258 4.995 ( 0.033 -4.958 0.694) 5.006 5.242 ( -0.068 -8.413 5.576) 10.093 5.442 ( 2.337 -13.802 -2.674) 14.252 5.815 ( 9.242 -12.831 -0.607) 15.825 6.248 ( 0.833 3.833 12.598) 13.195 6.554 ( 7.089 1.991 4.469) 8.614 7.068 ( 2.122 -4.067 -8.122) 9.328 7.202 ( 4.397 -1.693 -9.296) 10.422 7.712 ( 0.235 -13.138 -2.268) 13.335 7.970 ( -3.790 -16.183 -0.841) 16.642 8.216 ( 4.756 -7.998 0.318) 9.311 8.752 ( -1.225 7.624 3.056) 8.305 9.406 ( 2.139 11.883 -2.849) 12.406 9.518 ( -1.431 6.362 4.975) 8.202 10.601 ( 3.347 -14.710 -2.322) 15.264 10.771 ( -0.812 6.295 0.593) 6.375 11.328 ( 4.551 -0.306 0.356) 4.575 11.419 ( 5.830 -2.770 -5.573) 8.528 12.932 ( 3.554 0.394 2.239) 4.219 13.032 ( 0.620 -7.728 -20.851) 22.246 13.465 ( 0.673 0.111 6.347) 6.383 13.721 ( 4.318 -7.251 -0.510) 8.455 15.057 ( 3.436 -0.841 18.483) 18.818 15.354 ( -21.456 3.157 2.082) 21.787 17.834 ( -1.873 1.551 -1.918) 3.098 18.569 ( 0.158 17.976 -1.379) 18.029 ======================= Grid point 402 (193/320) ======================= q-point: (-0.08 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 2.357 -25.125 7.614) 26.358 2.528 ( -19.677 -23.001 12.012) 32.566 3.264 ( -11.385 -11.605 -1.650) 16.341 3.615 ( -13.009 -8.570 6.630) 16.930 4.537 ( 1.854 2.918 2.435) 4.228 4.808 ( 0.793 -2.288 12.454) 12.687 4.972 ( -2.510 -8.844 -6.690) 11.370 5.147 ( 5.311 -8.318 -0.213) 9.871 5.400 ( 1.280 -9.666 4.434) 10.712 5.704 ( 0.141 -10.696 -1.058) 10.749 6.091 ( 2.200 -9.600 5.391) 11.228 6.315 ( 8.047 -7.438 3.907) 11.634 6.583 ( 5.629 2.149 1.610) 6.237 7.115 ( 4.853 -0.865 -3.827) 6.241 7.300 ( 7.441 -5.482 -7.531) 11.922 7.890 ( -4.105 -9.344 -2.141) 10.429 8.155 ( -6.113 -4.625 0.866) 7.714 8.323 ( -2.181 -2.109 -4.680) 5.578 8.649 ( 0.327 2.414 -1.790) 3.023 9.194 ( 3.860 10.090 -0.181) 10.805 9.457 ( -1.054 1.290 7.454) 7.638 10.549 ( -1.662 11.203 0.640) 11.343 10.840 ( 1.284 -6.247 1.235) 6.496 11.384 ( 2.250 -1.990 -0.834) 3.117 11.548 ( 7.919 -4.635 -6.182) 11.064 12.873 ( -5.200 1.231 -13.679) 14.685 13.068 ( 4.003 2.451 -7.345) 8.717 13.490 ( 0.593 -0.447 5.925) 5.971 14.016 ( 15.642 -13.262 -6.509) 21.515 15.067 ( -10.673 6.578 24.918) 27.895 15.240 ( -2.112 -5.486 -2.697) 6.467 17.781 ( -0.635 3.058 -0.521) 3.166 18.212 ( -7.064 15.878 1.997) 17.493 ======================= Grid point 412 (194/320) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -29.565 0.000 4.412) 29.892 1.805 ( -26.701 0.000 13.476) 29.909 2.902 ( -43.077 0.000 15.916) 45.924 3.270 ( 1.575 -0.000 -2.355) 2.833 4.443 ( 16.189 -0.000 -0.565) 16.199 4.672 ( 6.044 -0.000 -6.669) 9.001 4.774 ( -1.191 0.000 5.073) 5.211 4.967 ( 3.890 -0.000 2.336) 4.537 5.009 ( 1.734 -0.000 1.398) 2.228 5.108 ( 1.684 -0.000 4.622) 4.919 5.401 ( -0.911 0.000 5.236) 5.315 6.378 ( 0.314 -0.000 8.034) 8.040 6.630 ( 6.277 -0.000 4.128) 7.512 7.029 ( 5.453 -0.000 -7.745) 9.472 7.134 ( 2.161 -0.000 -3.791) 4.364 7.303 ( 5.582 -0.000 -4.242) 7.011 7.471 ( 0.602 -0.000 -4.368) 4.410 8.201 ( 6.421 -0.000 4.032) 7.582 8.890 ( -2.571 0.000 9.054) 9.411 9.612 ( -1.715 0.000 -1.100) 2.037 9.728 ( -4.769 0.000 -1.637) 5.042 9.942 ( -0.297 0.000 -8.590) 8.596 10.921 ( -0.951 0.000 0.792) 1.237 11.271 ( -0.031 0.000 0.098) 0.102 11.590 ( 4.324 -0.000 0.035) 4.325 12.644 ( 0.357 -0.000 -5.614) 5.625 12.944 ( -4.742 0.000 -8.634) 9.850 13.473 ( 0.938 -0.000 8.575) 8.626 13.655 ( -1.335 0.000 -0.377) 1.388 15.024 ( 4.151 -0.000 12.119) 12.810 15.434 ( -23.194 0.000 9.356) 25.010 17.856 ( -2.956 0.000 -2.191) 3.679 19.014 ( 10.932 -0.000 -7.956) 13.521 ======================= Grid point 413 (195/320) ======================= q-point: (-0.17 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -26.006 5.959 12.338) 29.395 1.800 ( -23.343 -13.387 14.087) 30.374 2.762 ( -38.716 -12.178 16.690) 43.884 3.324 ( 0.612 -5.266 -1.144) 5.424 4.553 ( 8.246 -0.941 -1.459) 8.426 4.735 ( 4.348 -0.668 -0.612) 4.441 4.769 ( 0.194 -0.063 0.763) 0.790 4.911 ( 2.947 -4.805 -1.880) 5.942 5.108 ( 3.100 -4.812 5.997) 8.290 5.338 ( 3.140 -3.821 9.590) 10.790 5.604 ( 10.014 -19.876 -1.953) 22.342 6.352 ( -3.209 3.482 13.162) 13.988 6.660 ( 7.151 2.062 1.724) 7.639 7.005 ( 3.851 0.517 -9.236) 10.020 7.155 ( -0.071 -3.663 -5.058) 6.246 7.500 ( 2.844 -7.564 -4.916) 9.459 7.626 ( 2.585 -18.151 -2.537) 18.509 8.208 ( 3.628 2.434 2.277) 4.927 8.857 ( -3.193 3.724 7.349) 8.836 9.562 ( -0.140 4.736 -3.022) 5.620 9.644 ( -0.670 5.677 -0.451) 5.734 10.199 ( 2.988 -26.643 -9.130) 28.322 10.877 ( -0.863 4.307 0.727) 4.453 11.290 ( -0.559 -2.174 -1.053) 2.479 11.529 ( 5.500 7.011 -1.423) 9.024 12.665 ( -17.266 -12.198 -34.721) 40.651 12.990 ( 9.943 -3.190 7.159) 12.660 13.525 ( 4.977 0.914 13.401) 14.325 13.660 ( 1.236 -2.461 2.549) 3.752 15.091 ( 3.107 -1.574 2.826) 4.485 15.276 ( -19.222 2.747 20.463) 28.209 17.829 ( -1.983 0.245 -1.561) 2.535 18.901 ( 3.092 15.858 -6.463) 17.401 ======================= Grid point 414 (196/320) ======================= q-point: (-0.08 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.038 -25.495 10.742) 27.740 2.001 ( -18.345 -20.721 13.919) 30.978 2.813 ( -30.313 -17.649 11.902) 37.041 3.441 ( -1.796 -6.635 1.434) 7.022 4.581 ( 0.588 0.421 -4.228) 4.289 4.761 ( -2.299 -3.704 5.322) 6.879 4.837 ( 1.177 -2.615 2.109) 3.559 5.064 ( 9.209 -7.232 -2.524) 11.978 5.285 ( 0.865 -5.735 8.261) 10.094 5.494 ( 4.185 -11.492 3.756) 12.794 5.963 ( 8.990 -10.029 -1.192) 13.521 6.315 ( -0.637 0.822 13.989) 14.028 6.694 ( 7.169 3.402 0.734) 7.969 7.078 ( 5.727 -7.480 -8.291) 12.550 7.220 ( 3.463 -4.192 -6.597) 8.549 7.685 ( -1.781 -10.900 -2.671) 11.363 7.879 ( -6.328 -11.667 -1.908) 13.409 8.273 ( 2.189 -4.834 -1.555) 5.529 8.739 ( -2.198 7.065 2.151) 7.706 9.413 ( 1.235 9.975 -4.203) 10.894 9.530 ( -0.707 5.342 5.183) 7.477 10.657 ( 6.047 -11.338 -3.129) 13.225 10.759 ( -0.840 4.851 -0.638) 4.964 11.331 ( -0.859 -3.501 -3.703) 5.168 11.529 ( 9.706 -2.335 -5.031) 11.179 12.640 ( -17.444 -10.057 -32.419) 38.163 13.130 ( 7.878 -0.863 -2.534) 8.320 13.531 ( 1.224 2.366 4.703) 5.405 13.882 ( 14.207 -11.858 3.000) 18.747 15.061 ( -14.733 0.939 4.302) 15.377 15.249 ( 6.991 0.175 22.006) 23.091 17.808 ( -0.537 0.750 -0.552) 1.075 18.502 ( -8.887 21.071 0.487) 22.874 ======================= Grid point 425 (197/320) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -27.930 0.000 12.227) 30.489 1.502 ( -24.378 0.000 20.758) 32.018 2.377 ( -36.556 0.000 27.694) 45.861 3.290 ( 2.414 -0.000 -2.348) 3.368 4.559 ( 1.350 -0.000 -10.804) 10.888 4.749 ( 7.834 -0.000 -5.118) 9.358 4.806 ( 5.059 -0.000 1.370) 5.241 5.049 ( 2.785 -0.000 -0.375) 2.810 5.085 ( 3.642 -0.000 11.871) 12.417 5.228 ( 10.384 -0.000 8.086) 13.161 5.429 ( 0.973 -0.000 6.389) 6.463 6.374 ( -6.938 0.000 11.165) 13.145 6.734 ( 4.929 -0.000 -0.390) 4.944 7.038 ( 0.801 -0.000 -2.765) 2.878 7.142 ( 1.422 -0.000 -2.998) 3.318 7.405 ( 9.478 -0.000 -5.893) 11.161 7.474 ( 2.913 -0.000 -4.594) 5.440 8.297 ( 3.330 -0.000 0.751) 3.414 8.884 ( -4.260 0.000 9.334) 10.260 9.567 ( -3.207 0.000 -0.147) 3.211 9.653 ( -3.311 0.000 -2.199) 3.975 9.865 ( -2.558 0.000 -12.024) 12.293 10.914 ( -0.527 0.000 0.764) 0.928 11.264 ( -0.798 0.000 -0.241) 0.834 11.652 ( 3.462 -0.000 -0.571) 3.509 12.244 ( -27.827 0.000 -33.437) 43.501 13.045 ( 9.170 -0.000 4.393) 10.168 13.623 ( 1.911 -0.000 4.615) 4.995 13.658 ( 7.776 -0.000 14.855) 16.767 15.055 ( -7.399 0.000 -2.915) 7.953 15.284 ( -2.366 0.000 29.487) 29.582 17.813 ( -1.491 0.000 -1.068) 1.834 19.077 ( 2.674 -0.000 -12.581) 12.862 ======================= Grid point 426 (198/320) ======================= q-point: (-0.08 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -13.097 -7.592 17.571) 23.193 1.552 ( -20.681 -15.745 19.610) 32.560 2.332 ( -29.373 -11.654 29.545) 43.261 3.337 ( 1.713 -3.914 -1.552) 4.546 4.534 ( -1.969 -1.217 -13.591) 13.786 4.789 ( 1.166 5.973 6.296) 8.756 4.841 ( 3.780 -0.405 3.056) 4.878 4.966 ( 5.898 -8.033 -3.225) 10.475 5.223 ( 6.336 -4.815 8.898) 11.938 5.455 ( 4.411 -0.087 11.628) 12.437 5.744 ( 8.579 -22.676 -5.885) 24.948 6.351 ( -5.605 -0.110 13.584) 14.696 6.776 ( 6.886 -2.582 -0.483) 7.370 6.996 ( 1.142 4.357 -7.980) 9.163 7.146 ( 1.381 -5.540 -0.404) 5.724 7.504 ( 1.469 -3.717 -4.713) 6.180 7.647 ( 2.063 -12.062 -4.728) 13.119 8.244 ( 0.022 1.996 0.035) 1.996 8.835 ( -4.272 4.148 7.035) 9.217 9.530 ( -0.936 3.890 -5.417) 6.734 9.649 ( 0.939 4.970 0.507) 5.083 10.206 ( 6.202 -37.514 -14.544) 40.710 10.869 ( -0.639 4.675 0.587) 4.754 11.264 ( -1.828 -1.053 -1.749) 2.740 11.583 ( 2.325 3.930 -4.773) 6.606 12.114 ( -27.058 -14.647 -30.037) 42.999 13.151 ( 8.294 -2.557 0.181) 8.681 13.595 ( -0.214 2.520 0.687) 2.621 13.837 ( 10.789 -5.397 10.673) 16.107 14.989 ( -9.360 0.149 7.347) 11.900 15.391 ( 13.483 0.280 22.587) 26.307 17.806 ( -0.434 -0.278 -0.355) 0.626 18.824 ( -9.521 19.715 -6.476) 22.832 ======================= Grid point 438 (199/320) ======================= q-point: (-0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -16.150 0.000 20.523) 26.116 1.268 ( -20.194 0.000 27.372) 34.015 2.139 ( -16.794 0.000 40.879) 44.194 3.318 ( 2.803 -0.000 -2.498) 3.755 4.468 ( -1.308 0.000 -16.471) 16.523 4.857 ( 8.628 -0.000 -4.150) 9.574 4.870 ( 1.362 -0.000 1.542) 2.057 5.086 ( 2.199 -0.000 -0.269) 2.215 5.176 ( -1.090 0.000 9.520) 9.583 5.407 ( 7.522 -0.000 1.160) 7.611 5.546 ( 6.678 -0.000 14.907) 16.334 6.294 ( -10.624 0.000 10.985) 15.282 6.760 ( 0.070 -0.000 -4.603) 4.603 7.089 ( 5.954 -0.000 2.857) 6.604 7.143 ( 1.900 -0.000 -3.094) 3.631 7.489 ( 4.312 -0.000 -6.022) 7.406 7.520 ( 6.039 -0.000 -4.305) 7.417 8.283 ( -4.828 0.000 -2.088) 5.260 8.864 ( -4.569 0.000 9.790) 10.804 9.525 ( -2.013 0.000 0.580) 2.095 9.600 ( -1.317 0.000 -5.865) 6.012 9.758 ( -2.680 0.000 -8.627) 9.033 10.911 ( -0.329 0.000 0.770) 0.837 11.243 ( -1.728 0.000 -0.820) 1.913 11.582 ( -21.449 0.000 -15.479) 26.451 11.742 ( -4.541 0.000 -3.831) 5.941 13.189 ( 8.226 -0.000 0.928) 8.278 13.615 ( -0.573 0.000 -0.337) 0.665 13.874 ( 3.864 -0.000 5.427) 6.662 14.960 ( -5.987 0.000 13.031) 14.340 15.603 ( 27.914 -0.000 16.875) 32.618 17.798 ( -0.103 0.000 -0.015) 0.105 18.921 ( -14.877 0.000 -12.444) 19.395 ======================= Grid point 439 (200/320) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.607 -0.000 13.635) 13.882 1.794 ( -0.138 0.000 20.791) 20.792 2.985 ( 1.648 -0.000 24.361) 24.417 3.286 ( 2.060 -0.000 -1.302) 2.437 4.005 ( 0.792 -0.000 -16.082) 16.102 4.874 ( 2.673 -0.000 -1.694) 3.165 4.949 ( -0.181 0.000 2.801) 2.807 5.128 ( 0.646 -0.000 0.684) 0.940 5.186 ( -6.751 0.000 1.258) 6.867 5.742 ( 8.058 -0.000 9.809) 12.695 5.991 ( 0.537 -0.000 14.150) 14.160 6.369 ( -7.921 0.000 7.672) 11.027 6.541 ( -2.818 0.000 -9.413) 9.826 6.959 ( -1.021 0.000 -6.569) 6.648 7.294 ( 4.943 -0.000 -1.605) 5.197 7.392 ( 0.733 -0.000 -3.143) 3.227 7.569 ( 3.116 -0.000 5.314) 6.160 8.095 ( -8.562 0.000 -5.134) 9.984 8.780 ( 2.144 -0.000 -12.239) 12.425 9.412 ( -1.515 0.000 -0.040) 1.515 9.535 ( 1.190 -0.000 0.406) 1.258 9.775 ( -2.084 0.000 4.870) 5.297 10.938 ( 0.902 -0.000 1.135) 1.449 11.106 ( -2.621 0.000 -3.481) 4.357 11.251 ( -0.844 0.000 -1.063) 1.358 11.730 ( -0.105 0.000 -0.073) 0.128 13.368 ( 6.997 -0.000 1.973) 7.269 13.598 ( -0.535 0.000 -0.626) 0.823 13.743 ( -7.351 0.000 -2.795) 7.864 15.214 ( -8.478 0.000 10.860) 13.778 16.162 ( 25.385 -0.000 -5.145) 25.901 17.807 ( -0.288 0.000 0.224) 0.365 18.525 ( -12.777 0.000 0.131) 12.778 ======================= Grid point 440 (201/320) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 2.231 -2.519 12.724) 13.161 2.060 ( 13.934 -16.683 15.679) 26.802 2.884 ( 0.832 10.980 9.476) 14.528 3.414 ( -1.851 -7.258 6.512) 9.925 4.000 ( 6.538 -0.989 -14.287) 15.743 4.841 ( -6.217 1.693 3.131) 7.164 4.996 ( 0.416 -3.845 1.300) 4.080 5.239 ( 6.562 -14.668 6.699) 17.409 5.409 ( -9.761 -18.368 -3.345) 21.068 5.751 ( 2.294 5.198 7.647) 9.527 6.000 ( -1.179 -0.074 12.594) 12.649 6.335 ( -3.908 1.077 -5.776) 7.056 6.702 ( -5.685 -19.740 2.221) 20.662 6.906 ( 3.042 2.655 -2.196) 4.596 7.320 ( -2.512 -0.939 -2.005) 3.348 7.414 ( 1.701 -3.578 -4.407) 5.926 7.615 ( 4.007 -0.940 6.653) 7.823 8.023 ( -5.451 -1.038 -8.023) 9.755 8.674 ( 2.132 9.297 -10.888) 14.475 9.399 ( -0.988 0.022 1.151) 1.517 9.709 ( -2.920 -0.453 5.845) 6.550 9.939 ( 0.544 -29.314 -4.605) 29.678 10.910 ( -0.059 3.356 0.863) 3.466 11.058 ( 2.378 3.792 -2.348) 5.054 11.256 ( -0.139 -0.855 -1.032) 1.347 11.715 ( -0.203 0.809 -0.597) 1.026 13.429 ( 2.140 -1.716 -0.759) 2.846 13.570 ( 0.625 2.400 -0.372) 2.508 13.706 ( -3.526 -1.083 0.046) 3.689 15.153 ( -12.372 0.529 10.159) 16.017 16.340 ( 29.032 1.672 -11.666) 31.333 17.807 ( -2.892 -0.894 0.421) 3.056 18.341 ( -11.779 8.986 6.463) 16.164 ======================= Grid point 441 (202/320) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -2.739 -15.295 10.224) 18.600 2.607 ( 15.887 -19.898 12.245) 28.254 2.783 ( 6.185 -0.763 -0.655) 6.266 3.485 ( -5.392 -2.734 4.079) 7.293 4.069 ( 8.852 -3.210 -11.037) 14.508 4.845 ( -7.141 -5.038 7.362) 11.427 5.058 ( -1.241 -1.935 6.521) 6.914 5.536 ( 2.424 -7.557 3.116) 8.526 5.657 ( -5.690 -12.981 5.655) 15.260 5.737 ( -5.400 -7.323 3.999) 9.939 6.053 ( -0.305 -2.852 6.476) 7.083 6.267 ( -2.409 -0.716 -9.132) 9.472 6.810 ( 2.268 5.833 -4.446) 7.677 7.136 ( -5.579 -22.580 7.125) 24.326 7.358 ( -7.058 -6.465 -2.534) 9.901 7.500 ( 3.618 -5.950 -2.093) 7.272 7.728 ( 7.510 -5.682 6.242) 11.298 8.010 ( -1.767 -2.919 -12.255) 12.721 8.428 ( 3.047 15.508 -10.212) 18.817 9.392 ( -1.404 0.703 0.522) 1.655 9.672 ( -3.865 2.211 11.123) 11.981 10.463 ( -2.290 -17.812 -4.742) 18.574 10.871 ( -7.286 -7.001 -3.833) 10.807 11.033 ( 7.308 0.575 1.328) 7.450 11.267 ( 0.149 -1.010 -2.399) 2.607 11.722 ( 3.473 -1.149 -1.490) 3.950 13.426 ( -4.926 0.248 -3.383) 5.982 13.535 ( 2.789 2.519 -1.144) 3.929 13.735 ( 1.573 -2.117 3.727) 4.566 15.068 ( -13.536 0.221 8.942) 16.224 16.468 ( 27.208 4.778 -15.447) 31.650 17.764 ( -10.348 1.765 3.353) 11.020 18.116 ( -3.011 8.982 8.857) 12.969 ======================= Grid point 442 (203/320) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -4.297 -19.061 7.311) 20.862 2.810 ( 3.459 -6.877 1.452) 7.834 3.263 ( 18.255 -23.268 4.455) 29.908 3.516 ( -5.528 -5.817 4.127) 9.024 4.185 ( 7.121 -5.330 -10.015) 13.394 4.888 ( -7.160 -2.305 7.099) 10.343 5.082 ( -3.185 -0.569 8.696) 9.278 5.636 ( -3.555 -0.949 9.163) 9.874 5.724 ( -6.652 -1.903 3.651) 7.823 5.942 ( -5.076 -15.154 -1.756) 16.078 6.183 ( 3.142 -8.502 4.605) 10.166 6.337 ( 2.846 -8.683 -3.343) 9.729 6.666 ( 2.679 9.069 -5.181) 10.782 7.276 ( -11.121 2.917 -3.822) 12.116 7.481 ( -7.809 -15.624 -1.449) 17.527 7.760 ( 5.992 -12.082 3.917) 14.044 7.970 ( 6.587 -8.736 4.773) 11.937 8.018 ( 0.902 -2.667 -15.044) 15.305 8.164 ( 6.707 8.330 -6.802) 12.675 9.320 ( -3.261 5.496 -0.858) 6.448 9.643 ( -3.854 1.110 14.238) 14.792 10.433 ( 0.452 11.247 1.004) 11.301 10.975 ( -3.450 -6.215 -3.875) 8.096 11.236 ( -7.095 -13.880 -2.146) 15.736 11.310 ( 0.960 -6.165 1.111) 6.337 11.823 ( 9.072 -5.059 -1.946) 10.568 13.353 ( -6.227 1.530 -4.011) 7.563 13.516 ( 3.474 1.028 -2.378) 4.333 13.809 ( 2.789 -2.278 5.453) 6.535 14.994 ( -12.982 -1.162 8.350) 15.479 16.481 ( 20.388 9.583 -16.303) 27.807 17.611 ( -12.638 4.800 8.936) 16.205 18.022 ( 3.478 4.600 4.230) 7.152 ======================= Grid point 443 (204/320) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -2.875 -15.777 6.376) 17.258 2.991 ( 4.846 -7.218 -0.301) 8.699 3.659 ( -2.146 -14.294 -0.505) 14.463 3.833 ( 10.493 -21.124 10.147) 25.677 4.316 ( 3.331 -6.664 -8.188) 11.070 4.854 ( -6.666 1.642 7.357) 10.063 5.082 ( -5.791 -0.349 9.752) 11.347 5.521 ( -4.421 7.353 3.420) 9.236 5.769 ( -4.805 -5.149 5.579) 8.985 6.166 ( -2.090 -10.275 -9.513) 14.158 6.341 ( 3.846 0.051 5.997) 7.125 6.518 ( 7.467 0.244 1.559) 7.632 6.622 ( -0.994 -12.913 -1.788) 13.074 7.076 ( -9.080 6.486 -3.583) 11.720 7.603 ( -0.999 3.633 -4.391) 5.786 7.792 ( -0.061 -3.859 -7.780) 8.685 8.021 ( 2.716 1.890 -7.115) 7.846 8.187 ( 1.310 -12.512 1.521) 12.672 8.387 ( 8.692 -14.829 -1.220) 17.232 9.148 ( -4.689 8.122 -1.348) 9.474 9.640 ( -3.389 0.501 14.805) 15.196 10.198 ( 0.811 13.613 2.416) 13.849 11.046 ( -2.710 -4.251 -1.569) 5.280 11.320 ( -0.571 -3.597 -2.153) 4.230 11.501 ( -6.302 -12.655 1.753) 14.246 11.993 ( 8.468 -4.166 0.593) 9.456 13.250 ( -5.924 3.213 -4.938) 8.355 13.561 ( 5.618 -2.624 -2.446) 6.666 13.889 ( 1.579 -3.207 6.299) 7.242 14.962 ( -11.244 -3.156 9.123) 14.819 16.334 ( 10.475 14.393 -14.017) 22.657 17.491 ( -6.567 2.072 8.187) 10.698 17.978 ( 3.245 4.113 1.482) 5.445 ======================= Grid point 444 (205/320) ======================= q-point: ( 0.42 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.330 -9.385 6.660) 11.513 3.126 ( 3.451 -4.283 -1.842) 5.801 3.943 ( -0.336 -14.917 -1.136) 14.964 4.202 ( -2.933 -8.154 3.875) 9.492 4.457 ( 2.900 -8.561 2.950) 9.508 4.794 ( -4.757 0.860 8.126) 9.455 5.055 ( -8.079 -0.023 11.479) 14.037 5.408 ( 3.275 3.598 2.096) 5.298 5.866 ( -0.440 -6.399 1.412) 6.568 6.229 ( -0.701 -0.138 -8.309) 8.340 6.245 ( 2.257 6.694 -4.233) 8.235 6.581 ( -0.903 5.096 4.505) 6.862 6.735 ( -4.096 -2.009 -2.395) 5.153 7.068 ( 2.333 -8.981 0.564) 9.296 7.454 ( 1.355 5.648 -0.318) 5.817 7.904 ( 3.540 -0.340 -8.359) 9.084 8.016 ( -0.923 -7.313 -6.908) 10.102 8.325 ( 0.839 0.919 2.816) 3.079 8.679 ( 3.010 -12.227 -6.684) 14.256 8.996 ( -2.016 4.226 -0.882) 4.765 9.643 ( -3.159 0.580 14.108) 14.469 9.995 ( -0.231 7.903 3.347) 8.586 11.076 ( -1.959 -1.580 -0.646) 2.598 11.371 ( -0.315 -2.303 -0.107) 2.327 11.688 ( -2.674 -9.769 0.443) 10.138 12.094 ( 4.478 -2.034 1.351) 5.100 13.127 ( -3.603 4.079 -5.327) 7.615 13.642 ( 4.785 -0.995 -1.751) 5.191 14.006 ( 1.484 -6.408 5.826) 8.787 14.989 ( -8.705 -5.187 11.835) 15.580 16.059 ( 3.371 16.366 -11.188) 20.109 17.470 ( -2.207 -1.225 5.241) 5.817 17.926 ( 1.876 3.650 0.053) 4.104 ======================= Grid point 445 (206/320) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 4.061 -0.768 5.839) 7.153 3.200 ( 0.846 -2.366 -3.520) 4.325 3.998 ( -11.377 7.730 -2.739) 14.025 4.267 ( 0.117 -7.220 1.825) 7.448 4.529 ( -7.117 6.234 16.686) 19.182 4.876 ( 1.515 -8.693 2.884) 9.283 5.052 ( -4.777 -2.494 9.718) 11.112 5.436 ( 6.633 0.692 1.559) 6.849 5.982 ( 2.556 -3.696 -3.119) 5.470 6.092 ( 2.842 9.270 -3.649) 10.359 6.213 ( 0.396 -0.630 -4.883) 4.940 6.458 ( -1.264 2.165 0.292) 2.524 6.694 ( -3.250 3.112 -1.330) 4.692 7.166 ( 0.290 3.249 4.972) 5.947 7.495 ( -0.456 -8.479 -1.728) 8.666 7.850 ( 2.706 3.368 -2.633) 5.059 8.135 ( 3.329 3.438 -9.010) 10.202 8.255 ( 1.849 -1.072 -0.342) 2.165 8.811 ( 0.396 3.034 -3.280) 4.485 8.953 ( -0.505 -4.555 -3.754) 5.924 9.656 ( -3.362 -0.989 13.710) 14.151 9.944 ( -1.887 -2.514 1.367) 3.428 11.086 ( -0.394 -0.735 -0.395) 0.923 11.397 ( -1.181 -0.961 0.495) 1.601 11.763 ( 3.949 3.211 1.411) 5.282 12.206 ( -2.484 -9.912 -2.901) 10.622 13.030 ( 0.156 3.107 -4.336) 5.337 13.652 ( 1.492 1.835 -0.143) 2.369 14.143 ( 2.613 -3.925 1.797) 5.046 15.086 ( -6.889 -7.586 16.479) 19.405 15.751 ( 1.640 14.979 -8.907) 17.505 17.518 ( -0.806 -3.740 2.837) 4.762 17.885 ( 0.168 1.146 -0.307) 1.199 ======================= Grid point 446 (207/320) ======================= q-point: (-0.42 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 6.977 8.844 3.092) 11.681 3.185 ( -3.682 2.814 -3.558) 5.843 3.661 ( -11.881 15.300 1.877) 19.462 4.284 ( -13.816 11.772 17.140) 24.965 4.399 ( 3.506 -2.088 -2.525) 4.798 5.008 ( 3.098 -1.492 -2.646) 4.339 5.105 ( -3.112 -2.878 11.013) 11.801 5.402 ( 0.480 5.448 -0.804) 5.528 5.905 ( 5.152 9.923 2.757) 11.515 6.065 ( 3.166 1.437 -0.792) 3.566 6.231 ( 1.897 -2.701 -3.112) 4.536 6.527 ( 2.211 -3.850 3.918) 5.921 6.606 ( -1.276 2.566 -1.057) 3.055 7.048 ( -1.362 5.625 1.551) 5.992 7.616 ( 0.396 -1.493 -0.194) 1.557 7.839 ( 0.883 0.072 -0.193) 0.906 7.966 ( 6.189 7.931 -13.879) 17.142 8.363 ( -0.927 -4.905 2.719) 5.684 8.626 ( -0.213 11.717 -5.851) 13.099 9.065 ( 1.009 -5.541 -2.702) 6.247 9.683 ( -3.785 -0.412 13.483) 14.010 10.056 ( -3.014 -11.060 -1.487) 11.559 11.084 ( 0.724 1.680 0.178) 1.839 11.389 ( -1.432 0.610 -0.778) 1.740 11.681 ( 6.003 8.217 0.335) 10.182 12.363 ( -5.907 -10.146 -9.448) 15.070 12.999 ( 3.669 0.928 -0.823) 3.873 13.611 ( -0.754 2.639 0.304) 2.762 14.173 ( 2.874 2.543 -3.231) 5.016 15.220 ( -8.412 -6.147 16.480) 19.497 15.528 ( 5.446 8.114 -1.771) 9.931 17.603 ( 0.170 -4.994 0.518) 5.023 17.895 ( -2.287 -3.252 0.655) 4.029 ======================= Grid point 447 (208/320) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 7.547 18.661 0.208) 20.131 2.968 ( -9.055 15.060 3.734) 17.964 3.340 ( -8.363 10.733 1.513) 13.690 3.965 ( -13.650 13.502 12.203) 22.750 4.416 ( 1.546 2.027 -7.609) 8.025 4.950 ( -2.101 3.966 -3.530) 5.710 5.166 ( 0.560 0.116 9.958) 9.974 5.330 ( 2.800 2.984 4.468) 6.059 5.740 ( 4.533 12.843 5.950) 14.863 6.015 ( 2.333 6.333 6.492) 9.365 6.334 ( -0.920 -6.177 0.173) 6.248 6.465 ( 2.708 9.785 1.637) 10.283 6.579 ( -1.507 0.987 0.028) 1.802 7.093 ( 8.308 -5.221 -1.985) 10.011 7.496 ( 8.824 14.732 2.472) 17.349 7.859 ( -1.186 0.310 -11.732) 11.795 7.928 ( -2.306 -6.200 -2.985) 7.257 8.343 ( -2.585 10.498 -6.472) 12.601 8.445 ( -3.867 -0.092 -2.409) 4.557 9.163 ( 4.444 -4.089 -0.852) 6.099 9.683 ( -5.069 0.024 12.795) 13.762 10.274 ( -2.533 -14.262 -1.788) 14.595 11.018 ( 1.265 6.377 1.116) 6.596 11.348 ( -0.958 2.270 -3.543) 4.315 11.597 ( 7.154 5.569 -2.023) 9.289 12.374 ( -9.798 0.242 -16.980) 19.605 13.054 ( 5.881 -2.354 3.090) 7.048 13.552 ( -1.071 2.493 -1.160) 2.951 14.104 ( 1.295 4.533 -5.110) 6.952 15.208 ( -1.906 3.352 3.685) 5.334 15.573 ( 2.509 -4.430 16.001) 16.792 17.702 ( 2.240 -4.481 -1.144) 5.139 17.975 ( -5.799 -8.317 1.679) 10.277 ======================= Grid point 448 (209/320) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 5.217 25.536 0.545) 26.069 2.595 ( -6.432 18.719 13.153) 23.765 3.064 ( -14.270 11.189 2.910) 18.365 3.681 ( -7.182 9.900 6.587) 13.892 4.311 ( -2.735 4.546 -14.110) 15.075 4.906 ( -0.117 -0.176 3.675) 3.681 5.116 ( -1.825 6.300 6.992) 9.587 5.308 ( 7.223 8.188 8.229) 13.672 5.603 ( 2.587 4.473 10.671) 11.856 5.919 ( 4.299 8.565 8.228) 12.631 6.207 ( 2.660 14.923 -0.464) 15.165 6.474 ( -2.087 -5.824 -2.104) 6.535 6.597 ( -0.515 -3.485 -0.594) 3.573 7.180 ( 10.877 5.664 1.898) 12.409 7.342 ( 11.329 10.119 0.421) 15.196 7.740 ( -5.160 4.635 -4.010) 8.012 7.996 ( -3.926 14.379 -6.401) 16.222 8.128 ( -3.514 -9.178 -4.867) 10.967 8.418 ( -3.158 -2.113 -12.171) 12.751 9.289 ( 3.853 -5.158 1.164) 6.542 9.684 ( -5.290 -1.141 11.916) 13.087 10.514 ( -1.570 -13.074 -1.583) 13.263 10.886 ( 2.779 9.516 -0.222) 9.916 11.273 ( -0.383 3.831 -4.649) 6.037 11.559 ( 9.031 5.373 -4.871) 11.583 12.096 ( -16.691 11.819 -20.250) 28.781 13.171 ( 7.181 -2.984 3.456) 8.510 13.513 ( -0.446 0.191 -1.845) 1.907 14.016 ( -2.237 3.136 -4.352) 5.812 15.166 ( 4.158 2.637 3.798) 6.218 15.722 ( 1.062 -4.590 17.545) 18.167 17.784 ( 3.494 -1.862 -0.916) 4.064 18.127 ( -8.396 -13.446 0.902) 15.878 ======================= Grid point 449 (210/320) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 1.526 22.953 6.772) 23.980 2.247 ( -8.026 18.309 20.227) 28.439 2.787 ( -11.173 5.275 6.539) 13.979 3.511 ( -1.082 7.572 5.272) 9.290 4.172 ( -4.651 2.483 -15.305) 16.187 4.918 ( -1.119 2.027 6.464) 6.866 5.004 ( -0.341 3.845 6.072) 7.196 5.206 ( 8.853 10.107 5.305) 14.446 5.611 ( 3.506 3.461 11.793) 12.781 5.819 ( 3.588 7.804 9.686) 12.946 5.962 ( 2.151 11.569 -3.935) 12.408 6.491 ( -5.012 0.319 -4.199) 6.546 6.706 ( 2.609 -7.594 -0.622) 8.053 7.084 ( 6.008 14.105 5.419) 16.261 7.265 ( 10.293 5.898 -0.410) 11.870 7.569 ( -3.996 11.131 -2.743) 12.140 7.681 ( -4.859 6.894 -4.074) 9.366 8.195 ( -2.901 0.315 -4.671) 5.508 8.518 ( 0.240 -13.104 -15.106) 19.999 9.389 ( 0.748 -2.900 0.562) 3.048 9.707 ( -4.622 -2.272 9.772) 11.046 10.590 ( 2.132 21.076 -9.023) 23.025 10.750 ( 4.100 -4.574 0.811) 6.196 11.186 ( -3.504 2.225 -3.506) 5.433 11.426 ( -1.696 9.800 -12.322) 15.835 11.761 ( -10.099 2.940 -6.457) 12.342 13.270 ( 8.160 -0.060 3.068) 8.718 13.530 ( -0.590 -2.589 -1.063) 2.860 13.925 ( -5.832 2.146 -4.056) 7.421 15.187 ( 4.181 0.570 6.783) 7.988 15.852 ( 6.004 -2.580 12.365) 13.986 17.817 ( 2.480 0.496 -0.163) 2.534 18.337 ( -9.170 -15.527 -0.985) 18.060 ======================= Grid point 450 (211/320) ======================= q-point: (-0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -2.369 6.683 14.322) 15.981 1.914 ( -8.493 13.926 21.745) 27.183 2.801 ( -0.052 -6.952 15.209) 16.722 3.380 ( 1.341 8.345 5.081) 9.862 4.068 ( -3.951 0.829 -15.404) 15.924 4.896 ( -2.782 -1.831 3.230) 4.639 4.970 ( 3.095 4.542 -1.134) 5.612 5.084 ( 7.422 9.421 7.740) 14.274 5.546 ( -5.116 19.344 -1.687) 20.080 5.635 ( 6.451 0.160 8.605) 10.755 5.917 ( 3.436 -0.498 12.714) 13.180 6.426 ( -5.006 0.428 -3.311) 6.017 6.760 ( -1.952 16.801 -0.318) 16.917 6.888 ( 1.497 -7.014 -2.682) 7.657 7.278 ( 6.946 1.874 2.026) 7.474 7.419 ( 0.585 2.738 -4.113) 4.975 7.561 ( 0.599 3.826 1.103) 4.027 8.148 ( -5.549 -1.062 -5.377) 7.799 8.709 ( 1.443 -8.959 -12.698) 15.607 9.416 ( -1.652 -0.798 0.002) 1.835 9.735 ( -3.952 -0.605 5.576) 6.861 9.956 ( 1.231 34.589 -6.540) 35.223 10.883 ( 1.301 -4.761 0.829) 5.004 11.131 ( -7.468 -1.967 -4.433) 8.904 11.280 ( -2.370 1.689 -3.738) 4.737 11.719 ( -0.130 -0.720 -0.969) 1.215 13.321 ( 8.189 1.730 2.902) 8.858 13.577 ( -0.544 -2.570 -0.538) 2.681 13.827 ( -7.963 1.314 -4.036) 9.024 15.222 ( -1.645 -0.374 9.706) 9.852 15.990 ( 16.140 -1.049 3.688) 16.589 17.814 ( 1.043 1.005 0.142) 1.455 18.515 ( -10.633 -10.871 -2.354) 15.388 ======================= Grid point 452 (212/320) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 15.025 -0.000 8.013) 17.028 2.043 ( 18.682 -0.000 15.908) 24.537 3.065 ( -4.179 0.000 12.232) 12.926 3.303 ( 0.751 -0.000 -1.504) 1.681 4.041 ( 12.729 -0.000 -10.300) 16.374 4.864 ( -3.264 0.000 -1.779) 3.717 4.917 ( -5.845 0.000 1.441) 6.020 5.063 ( -5.764 0.000 5.560) 8.009 5.163 ( -0.417 0.000 -1.579) 1.633 5.879 ( 4.531 -0.000 4.417) 6.328 6.019 ( -5.896 0.000 13.054) 14.324 6.336 ( -2.696 0.000 12.074) 12.372 6.406 ( -8.235 0.000 -9.915) 12.889 6.950 ( 3.958 -0.000 -4.416) 5.930 7.277 ( -3.931 0.000 -5.405) 6.683 7.359 ( -3.416 0.000 -3.140) 4.640 7.665 ( 4.299 -0.000 9.110) 10.073 7.946 ( -6.694 0.000 -5.394) 8.596 8.758 ( 2.560 -0.000 -10.445) 10.754 9.406 ( 0.121 -0.000 1.786) 1.790 9.584 ( 4.791 -0.000 -0.240) 4.797 9.771 ( -1.572 0.000 4.677) 4.934 10.944 ( -0.729 0.000 0.428) 0.846 11.141 ( 7.985 -0.000 -0.833) 8.028 11.242 ( -0.111 0.000 -0.248) 0.272 11.714 ( -1.952 0.000 0.023) 1.952 13.393 ( -4.396 0.000 -4.339) 6.177 13.602 ( 2.032 -0.000 0.331) 2.059 13.699 ( 2.193 -0.000 3.487) 4.119 15.079 ( -14.117 0.000 8.632) 16.547 16.554 ( 30.769 -0.000 -16.875) 35.093 17.769 ( -5.619 0.000 0.927) 5.695 18.354 ( -11.404 0.000 9.262) 14.691 ======================= Grid point 453 (213/320) ======================= q-point: ( 0.17 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 12.850 5.896 8.140) 16.314 2.447 ( 24.520 -16.469 11.915) 31.850 2.912 ( -0.014 9.549 0.026) 9.549 3.387 ( -3.272 -5.112 0.650) 6.104 4.112 ( 12.900 0.962 -6.195) 14.343 4.747 ( -7.995 0.219 4.572) 9.213 4.993 ( -1.998 -5.121 1.054) 5.597 5.224 ( -11.014 -16.131 -2.111) 19.646 5.337 ( 1.022 -17.559 4.645) 18.192 5.799 ( 0.507 8.458 4.588) 9.636 6.011 ( -5.632 -1.764 10.543) 12.083 6.226 ( -5.479 2.269 -8.886) 10.683 6.636 ( -4.955 -19.229 7.250) 21.140 6.963 ( 5.230 1.335 -2.016) 5.762 7.227 ( -7.120 -1.392 -2.821) 7.784 7.385 ( -2.191 -6.549 -4.913) 8.476 7.734 ( 4.904 -1.510 7.878) 9.402 7.908 ( -3.802 -2.362 -6.016) 7.498 8.658 ( 2.541 9.193 -9.455) 13.430 9.399 ( -0.083 0.982 2.251) 2.457 9.711 ( -1.194 0.744 7.089) 7.228 9.934 ( 1.348 -24.135 -2.453) 24.297 10.891 ( -1.313 4.814 -0.219) 4.995 11.157 ( 8.505 4.392 0.257) 9.575 11.257 ( 0.890 -0.391 -0.058) 0.973 11.711 ( 0.478 -1.618 -0.375) 1.729 13.347 ( -7.391 -1.269 -5.114) 9.077 13.599 ( 2.059 2.061 -0.566) 2.968 13.749 ( 5.166 -0.880 5.412) 7.534 14.987 ( -14.049 0.245 7.209) 15.792 16.713 ( 28.856 2.925 -20.193) 35.341 17.712 ( -10.394 0.517 3.555) 10.997 18.248 ( -6.163 5.550 11.128) 13.879 ======================= Grid point 454 (214/320) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 7.403 -7.296 6.774) 12.406 2.776 ( 3.518 -0.055 2.810) 4.502 3.037 ( 22.239 -18.165 2.290) 28.806 3.419 ( -4.025 -2.382 0.993) 4.781 4.170 ( 8.611 -0.416 -6.663) 10.895 4.766 ( -7.901 -4.838 7.412) 11.865 5.062 ( -2.145 -2.774 5.178) 6.254 5.449 ( -7.908 -17.132 -2.315) 19.010 5.605 ( -8.359 -7.462 8.426) 14.020 5.738 ( -0.999 -1.449 5.212) 5.501 6.038 ( -0.773 -5.309 -5.990) 8.041 6.217 ( -1.857 -6.467 1.999) 7.019 6.800 ( 0.228 2.539 -5.355) 5.931 7.086 ( -4.509 -13.681 6.009) 15.608 7.203 ( -9.582 -3.191 -4.874) 11.214 7.560 ( 3.468 -12.707 0.591) 13.186 7.847 ( 1.741 -6.656 0.218) 6.883 7.961 ( 4.503 -4.626 -4.059) 7.626 8.433 ( 3.524 14.114 -7.883) 16.546 9.368 ( -1.734 2.613 0.511) 3.177 9.681 ( -2.997 2.151 12.269) 12.811 10.418 ( -1.626 -22.249 -0.947) 22.328 10.769 ( -3.321 3.550 -2.284) 5.371 11.126 ( 2.665 3.328 2.123) 4.763 11.271 ( 1.010 -1.195 -0.804) 1.760 11.807 ( 8.616 -4.773 0.099) 9.850 13.291 ( -7.958 -0.417 -4.884) 9.346 13.567 ( 2.447 2.367 -1.699) 3.805 13.825 ( 4.671 -1.178 5.761) 7.510 14.900 ( -12.532 -0.367 6.652) 14.193 16.764 ( 22.578 7.785 -21.318) 32.013 17.603 ( -12.786 2.602 8.693) 15.678 18.148 ( 0.347 5.134 8.082) 9.581 ======================= Grid point 455 (215/320) ======================= q-point: ( 0.33 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.663 -14.866 5.346) 16.217 2.895 ( 6.899 -7.364 0.520) 10.104 3.440 ( 0.105 -8.013 -3.253) 8.649 3.574 ( 11.304 -17.670 10.381) 23.405 4.237 ( 4.999 -3.068 -6.580) 8.815 4.782 ( -10.301 -2.666 5.111) 11.805 5.087 ( -2.505 0.221 9.502) 9.829 5.586 ( -6.699 2.405 0.949) 7.181 5.651 ( -4.266 -5.539 7.571) 10.305 5.861 ( -4.305 -15.951 -3.294) 16.847 6.213 ( -1.106 -13.346 -2.828) 13.688 6.402 ( 5.051 -9.267 5.796) 12.040 6.690 ( 3.675 7.127 -5.645) 9.806 7.067 ( -12.061 2.588 -5.413) 13.471 7.347 ( -7.605 -14.074 -0.129) 15.997 7.841 ( 0.258 -11.700 -0.528) 11.714 7.947 ( 4.174 0.162 -12.993) 13.648 8.126 ( 7.694 -3.277 5.229) 9.863 8.245 ( 6.505 -0.819 -2.822) 7.138 9.254 ( -4.352 7.150 -0.840) 8.412 9.664 ( -3.638 0.796 14.924) 15.382 10.462 ( 1.821 11.570 2.597) 11.997 10.888 ( -3.653 -12.378 -3.864) 13.472 11.144 ( -5.850 -7.957 2.049) 10.087 11.321 ( 0.198 -3.591 0.133) 3.599 11.996 ( 12.446 -5.114 2.759) 13.736 13.214 ( -7.444 0.723 -5.315) 9.176 13.560 ( 3.575 -0.302 -2.687) 4.482 13.889 ( 2.553 -1.010 5.681) 6.310 14.851 ( -10.024 -1.977 7.466) 12.654 16.644 ( 11.649 13.626 -18.185) 25.535 17.500 ( -7.125 2.125 9.168) 11.804 18.090 ( 2.349 4.466 4.063) 6.478 ======================= Grid point 456 (216/320) ======================= q-point: ( 0.42 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 3.084 -14.899 5.133) 16.057 3.077 ( 5.923 -4.932 0.003) 7.708 3.652 ( 2.142 -15.531 -0.116) 15.678 3.985 ( 1.080 -14.764 7.384) 16.543 4.340 ( 5.408 -6.334 -2.673) 8.747 4.758 ( -9.587 -2.120 5.619) 11.313 5.059 ( -5.641 2.698 13.754) 15.109 5.480 ( -2.140 3.015 0.445) 3.724 5.752 ( -1.061 -5.990 5.055) 7.909 6.051 ( -4.998 -8.922 -11.338) 15.269 6.402 ( -1.969 -0.976 4.958) 5.423 6.530 ( -2.213 -1.732 -6.871) 7.424 6.702 ( 8.054 -4.703 5.585) 10.871 6.951 ( -2.829 -2.746 -3.785) 5.465 7.527 ( -4.772 -9.841 -6.157) 12.551 7.774 ( 2.975 7.762 -6.290) 10.424 8.002 ( -0.833 -3.095 -6.811) 7.527 8.239 ( 3.806 -6.891 2.345) 8.214 8.515 ( 8.403 -11.194 -1.559) 14.084 9.059 ( -5.910 7.389 -0.377) 9.469 9.668 ( -3.585 0.230 15.316) 15.732 10.232 ( 1.826 14.152 2.648) 14.513 10.994 ( -2.982 -4.236 -0.556) 5.210 11.300 ( -1.646 -7.528 -0.432) 7.718 11.429 ( -3.162 -10.807 0.983) 11.303 12.155 ( 9.586 -0.572 5.426) 11.030 13.125 ( -5.621 1.540 -6.187) 8.500 13.623 ( 3.753 -3.341 -3.478) 6.111 13.945 ( 0.909 -2.804 5.882) 6.579 14.865 ( -7.115 -4.239 9.861) 12.878 16.367 ( 3.267 16.808 -13.565) 21.845 17.461 ( -2.092 0.636 5.967) 6.355 18.027 ( 1.975 4.927 1.468) 5.507 ======================= Grid point 457 (217/320) ======================= q-point: ( 0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 4.390 -10.209 4.236) 11.893 3.166 ( 2.522 -1.797 -1.460) 3.424 3.951 ( 0.737 -7.784 -1.809) 8.025 4.116 ( -5.672 -6.647 4.582) 9.867 4.563 ( 4.226 -6.905 9.146) 12.215 4.760 ( -4.537 -3.615 7.377) 9.385 4.997 ( -7.849 0.515 13.599) 15.710 5.474 ( 3.427 -1.182 -0.173) 3.629 5.886 ( 2.498 -6.723 -0.268) 7.177 6.088 ( -6.873 -4.321 -11.391) 13.988 6.295 ( 2.255 9.089 -1.977) 9.571 6.434 ( -12.236 1.171 -1.990) 12.452 6.808 ( 7.032 2.933 2.660) 8.070 7.121 ( 4.624 -9.184 -0.585) 10.299 7.489 ( 2.706 7.108 1.398) 7.733 7.874 ( -1.194 -13.625 -10.210) 17.068 7.982 ( 0.801 0.492 -5.082) 5.168 8.361 ( 2.199 0.891 1.345) 2.727 8.664 ( -0.155 -6.070 -7.055) 9.308 8.975 ( -0.466 0.105 0.739) 0.880 9.673 ( -3.143 0.733 14.871) 15.218 10.014 ( 0.769 9.817 2.623) 10.191 11.032 ( -3.377 -2.925 0.162) 4.471 11.369 ( -0.255 -1.836 0.820) 2.027 11.664 ( 0.176 -13.701 -1.357) 13.770 12.182 ( 4.173 4.424 5.311) 8.074 13.050 ( -1.953 1.235 -5.981) 6.412 13.670 ( 0.126 -0.343 -2.880) 2.903 14.062 ( 1.866 -6.541 4.283) 8.038 14.950 ( -4.739 -6.374 13.644) 15.787 16.031 ( 0.755 16.441 -10.811) 19.691 17.467 ( -1.241 -1.252 3.874) 4.257 17.950 ( 1.155 4.622 -0.000) 4.764 ======================= Grid point 458 (218/320) ======================= q-point: (-0.42 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 5.829 -1.989 1.191) 6.274 3.182 ( -0.699 0.311 -3.149) 3.241 3.825 ( -9.122 10.510 3.667) 14.392 4.318 ( 3.986 -7.480 3.488) 9.165 4.499 ( -7.832 11.327 16.718) 21.659 4.931 ( 2.014 -9.130 5.484) 10.839 5.026 ( -4.218 -4.304 7.375) 9.524 5.485 ( 0.079 3.215 -3.026) 4.416 6.016 ( 3.002 -3.807 -3.343) 5.888 6.060 ( -1.149 0.752 -5.194) 5.373 6.198 ( -1.612 -1.223 -4.430) 4.871 6.404 ( -3.625 -5.539 0.937) 6.686 6.725 ( 5.831 8.897 0.944) 10.679 7.202 ( 1.140 6.085 3.631) 7.177 7.475 ( -1.022 -6.397 -0.741) 6.520 7.873 ( 1.865 3.836 -3.235) 5.354 8.143 ( 3.894 -2.487 -8.990) 10.107 8.275 ( 1.281 0.498 -2.807) 3.126 8.794 ( -0.436 -2.321 -2.175) 3.211 8.928 ( -0.263 0.591 -2.709) 2.785 9.680 ( -3.356 -0.338 14.404) 14.793 9.926 ( -0.958 -0.051 0.818) 1.261 11.062 ( -2.097 -2.634 -0.216) 3.373 11.385 ( -0.758 -0.114 0.945) 1.217 11.854 ( 6.866 -0.798 -0.949) 6.977 12.141 ( -4.136 -2.434 -0.790) 4.864 13.026 ( 1.853 -0.038 -3.219) 3.715 13.638 ( -2.538 1.588 -1.444) 3.324 14.179 ( 1.012 -2.681 -0.400) 2.893 15.088 ( -4.384 -7.164 17.434) 19.352 15.747 ( 3.718 12.052 -8.134) 15.008 17.510 ( -2.065 -3.772 2.906) 5.190 17.886 ( 0.170 2.418 -0.378) 2.453 ======================= Grid point 459 (219/320) ======================= q-point: (-0.33 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 4.769 8.109 -3.381) 9.996 3.113 ( -2.657 5.387 -2.040) 6.343 3.537 ( -5.782 14.871 8.461) 18.060 4.184 ( -10.781 15.958 17.103) 25.756 4.447 ( 3.319 -0.447 -1.661) 3.738 4.985 ( -3.076 3.313 -5.069) 6.792 5.136 ( -1.597 -6.223 12.965) 14.469 5.400 ( 1.351 2.687 -1.616) 3.415 5.987 ( 2.366 5.935 4.746) 7.959 6.110 ( 2.849 -0.549 -1.675) 3.350 6.203 ( -2.597 -3.285 -4.080) 5.847 6.473 ( -3.297 -0.537 -0.103) 3.342 6.732 ( 9.543 -0.645 2.964) 10.013 7.044 ( -0.275 4.671 0.650) 4.724 7.602 ( -1.854 -6.095 -1.122) 6.469 7.840 ( 0.301 -0.141 -2.217) 2.241 8.001 ( 7.054 11.295 -12.324) 18.144 8.368 ( -0.590 -1.886 2.505) 3.190 8.593 ( -0.069 14.345 -4.732) 15.105 9.063 ( 0.752 -8.980 -2.649) 9.393 9.686 ( -4.904 0.721 12.927) 13.844 10.008 ( -2.239 -10.051 -0.692) 10.320 11.086 ( -0.147 -0.215 0.055) 0.266 11.368 ( -0.513 1.302 -0.788) 1.606 11.786 ( 6.080 9.798 1.277) 11.602 12.208 ( -6.320 -6.796 -11.477) 14.759 13.064 ( 4.202 -1.781 1.798) 4.906 13.579 ( -2.488 1.967 -1.492) 3.505 14.157 ( -2.244 3.226 -4.942) 6.314 15.201 ( -5.218 -3.296 15.820) 16.982 15.639 ( 9.552 3.175 -1.483) 10.174 17.594 ( -2.289 -6.437 2.371) 7.232 17.866 ( -1.595 -0.850 0.284) 1.830 ======================= Grid point 460 (220/320) ======================= q-point: (-0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.678 17.752 -3.882) 18.184 2.928 ( 1.198 13.497 3.388) 13.967 3.231 ( -6.614 16.016 8.958) 19.506 3.854 ( -8.774 13.695 11.058) 19.668 4.380 ( 0.005 6.875 -10.849) 12.844 4.898 ( -3.283 0.320 2.555) 4.173 5.198 ( -1.843 1.680 6.374) 6.845 5.431 ( 5.013 -1.493 8.001) 9.559 5.838 ( 3.148 13.068 7.479) 15.382 6.086 ( 1.816 4.540 7.104) 8.624 6.284 ( -4.038 -7.527 -3.291) 9.153 6.448 ( -1.577 3.234 -2.508) 4.386 6.611 ( 3.334 9.849 -0.866) 10.434 7.220 ( 7.768 -11.164 -0.834) 13.626 7.620 ( 3.130 6.072 3.075) 7.492 7.812 ( 4.181 6.221 -11.153) 13.438 7.882 ( -0.536 -2.450 -2.692) 3.679 8.269 ( -3.035 11.416 -5.069) 12.854 8.365 ( -3.842 5.227 -4.418) 7.849 9.215 ( 2.775 -6.601 -1.210) 7.262 9.662 ( -6.038 0.237 12.438) 13.828 10.230 ( -2.114 -14.632 -1.259) 14.837 11.045 ( 1.670 5.443 0.936) 5.770 11.325 ( 0.407 2.760 -2.797) 3.950 11.682 ( 3.946 4.646 -0.608) 6.126 12.130 ( -9.052 6.222 -17.556) 20.709 13.165 ( 5.569 -3.707 4.872) 8.276 13.525 ( -0.628 1.607 -2.844) 3.326 14.035 ( -5.452 4.125 -5.830) 8.985 15.223 ( -3.027 0.424 11.044) 11.459 15.735 ( 11.765 -2.648 4.307) 12.805 17.727 ( -0.220 -7.813 2.182) 8.115 17.888 ( -5.537 -4.196 1.490) 7.106 ======================= Grid point 461 (221/320) ======================= q-point: (-0.17 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -2.524 23.533 1.620) 23.723 2.669 ( 7.091 20.054 10.835) 23.872 2.884 ( -9.806 13.799 5.993) 17.958 3.631 ( -4.613 7.114 6.487) 10.675 4.198 ( -0.779 6.954 -15.506) 17.012 4.924 ( -1.606 -1.981 7.824) 8.229 5.112 ( -3.092 6.125 6.524) 9.468 5.469 ( 7.121 7.346 8.532) 13.322 5.700 ( 1.569 3.570 12.026) 12.642 6.014 ( 2.210 7.182 8.456) 11.312 6.195 ( -2.751 13.912 -3.760) 14.671 6.384 ( -4.235 -4.634 -6.569) 9.086 6.627 ( 3.875 -4.875 -2.459) 6.695 7.352 ( 8.838 6.789 3.989) 11.837 7.506 ( 5.837 7.501 2.547) 9.840 7.663 ( -0.161 7.057 -4.467) 8.354 7.893 ( -5.426 17.618 -3.279) 18.724 8.065 ( -1.180 -10.079 -4.072) 10.934 8.292 ( -3.059 -3.397 -16.370) 16.996 9.342 ( 2.088 -4.444 0.697) 4.959 9.660 ( -5.748 -1.421 11.893) 13.286 10.476 ( -2.010 -12.768 -1.974) 13.075 10.944 ( 4.247 6.891 0.492) 8.110 11.256 ( 0.706 4.792 -2.510) 5.456 11.656 ( 6.960 6.507 -6.109) 11.318 11.738 ( -16.389 14.988 -15.751) 27.227 13.298 ( 6.295 -3.849 4.302) 8.541 13.502 ( 0.693 0.068 -2.733) 2.820 13.906 ( -7.361 2.899 -4.500) 9.102 15.215 ( -4.387 0.234 10.455) 11.341 15.909 ( 16.475 -3.188 1.694) 16.866 17.840 ( 2.946 -0.965 0.805) 3.203 17.982 ( -10.977 -13.272 4.108) 17.706 ======================= Grid point 462 (222/320) ======================= q-point: (-0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -4.979 20.835 9.196) 23.312 2.326 ( 7.592 24.054 15.382) 29.544 2.734 ( -0.938 -0.958 5.471) 5.633 3.521 ( -2.738 4.698 7.042) 8.896 4.056 ( 1.423 3.870 -15.788) 16.317 4.904 ( -5.173 3.911 7.302) 9.766 5.034 ( -0.191 1.898 6.436) 6.712 5.386 ( 9.830 9.544 6.240) 15.055 5.695 ( -1.543 2.524 10.297) 10.713 5.825 ( -5.483 15.341 0.083) 16.291 5.997 ( 2.279 3.971 5.600) 7.233 6.374 ( -4.658 -0.796 -9.071) 10.228 6.769 ( 4.709 -6.154 -1.223) 7.845 7.152 ( -1.076 19.628 7.231) 20.945 7.409 ( 5.218 9.952 -0.576) 11.251 7.492 ( -2.365 6.180 -3.916) 7.689 7.627 ( 0.693 3.860 0.979) 4.042 8.107 ( -3.340 1.270 -8.811) 9.509 8.454 ( 1.525 -15.198 -13.466) 20.363 9.400 ( -0.038 -0.814 0.822) 1.157 9.684 ( -4.760 -2.329 9.907) 11.235 10.535 ( -2.115 14.521 -8.229) 16.824 10.866 ( 8.582 6.107 0.921) 10.573 11.063 ( -8.931 6.180 -5.710) 12.270 11.306 ( -2.906 4.784 -7.012) 8.973 11.696 ( 0.784 -1.064 -1.270) 1.833 13.406 ( 6.517 -0.691 2.781) 7.119 13.519 ( 0.080 -2.265 -1.637) 2.796 13.789 ( -7.431 2.279 -3.042) 8.346 15.197 ( -8.691 -0.537 10.834) 13.899 16.115 ( 23.601 -2.606 -4.875) 24.240 17.841 ( -0.681 1.083 0.464) 1.361 18.185 ( -10.440 -14.403 5.287) 18.558 ======================= Grid point 465 (223/320) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 21.300 -0.000 2.439) 21.439 2.493 ( 27.768 -0.000 12.985) 30.654 3.019 ( -3.567 0.000 -1.919) 4.050 3.297 ( 0.756 -0.000 -4.193) 4.261 4.230 ( 13.017 -0.000 -2.595) 13.273 4.747 ( -10.139 0.000 2.116) 10.358 4.813 ( -7.356 0.000 -1.979) 7.617 5.031 ( -3.414 0.000 6.355) 7.214 5.131 ( -1.866 0.000 -2.472) 3.097 5.928 ( 1.322 -0.000 -2.136) 2.512 5.966 ( -8.593 0.000 10.933) 13.906 6.189 ( -11.541 0.000 -9.594) 15.008 6.408 ( 0.570 -0.000 17.292) 17.301 7.019 ( 6.447 -0.000 -3.277) 7.232 7.149 ( -7.917 0.000 -6.143) 10.021 7.249 ( -7.728 0.000 -3.610) 8.529 7.761 ( 1.440 -0.000 -2.267) 2.685 7.858 ( -2.408 0.000 9.511) 9.811 8.745 ( 2.455 -0.000 -9.403) 9.718 9.431 ( 1.057 -0.000 3.634) 3.784 9.671 ( 6.461 -0.000 -0.732) 6.502 9.779 ( -0.472 0.000 4.574) 4.598 10.936 ( -0.293 0.000 0.205) 0.358 11.241 ( 0.144 -0.000 0.046) 0.151 11.314 ( 13.234 -0.000 1.578) 13.328 11.675 ( -2.681 0.000 0.276) 2.696 13.262 ( -7.210 0.000 -5.192) 8.885 13.633 ( 1.816 -0.000 -0.420) 1.864 13.798 ( 5.365 -0.000 5.357) 7.581 14.900 ( -13.109 0.000 5.946) 14.394 16.905 ( 27.425 -0.000 -23.535) 36.139 17.643 ( -11.815 0.000 5.898) 13.206 18.281 ( -5.605 0.000 11.954) 13.203 ======================= Grid point 466 (224/320) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 19.768 11.660 2.215) 23.057 2.843 ( 7.440 -0.916 9.620) 12.196 2.966 ( 20.772 -6.065 -6.698) 22.652 3.343 ( -1.398 -3.469 -2.673) 4.597 4.251 ( 5.248 3.574 -3.522) 7.261 4.670 ( -4.856 -1.414 8.002) 9.466 4.921 ( -7.311 -12.358 -1.947) 14.490 5.077 ( -5.507 -8.706 -1.089) 10.359 5.329 ( -4.880 -16.860 5.287) 18.331 5.812 ( -2.938 7.557 2.637) 8.526 5.947 ( -3.465 -1.767 -3.099) 4.973 6.085 ( -8.396 -2.681 -0.655) 8.838 6.637 ( -1.840 -13.776 11.256) 17.885 7.027 ( 3.984 1.696 -3.500) 5.567 7.078 ( -8.932 -1.196 -4.786) 10.204 7.314 ( -3.669 -12.375 -2.236) 13.099 7.751 ( -2.685 -2.174 -7.814) 8.543 7.925 ( 3.222 -3.083 12.873) 13.623 8.651 ( 2.797 8.667 -8.703) 12.596 9.419 ( 0.562 2.676 3.484) 4.429 9.741 ( -0.189 2.456 7.730) 8.113 9.954 ( 2.520 -20.422 -1.472) 20.629 10.882 ( 0.105 5.663 0.092) 5.664 11.240 ( 1.560 0.964 -0.198) 1.844 11.312 ( 4.450 7.821 2.159) 9.253 11.758 ( 6.554 -7.332 1.426) 9.937 13.205 ( -6.875 -0.849 -4.823) 8.441 13.624 ( 1.852 2.064 -0.939) 2.927 13.855 ( 3.745 -0.738 4.654) 6.019 14.822 ( -10.731 -0.112 5.747) 12.173 16.993 ( 20.982 4.624 -25.042) 32.996 17.565 ( -10.858 0.842 9.741) 14.611 18.245 ( -2.287 3.149 10.249) 10.963 ======================= Grid point 467 (225/320) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 14.445 -0.023 1.647) 14.538 2.855 ( 7.127 -2.219 -1.403) 7.595 3.325 ( 7.114 -6.343 -3.521) 10.161 3.422 ( 7.982 -9.623 7.441) 14.549 4.228 ( 1.956 -0.271 -4.197) 4.638 4.677 ( -8.035 -1.296 6.314) 10.301 5.060 ( -0.888 -4.215 4.503) 6.231 5.333 ( -5.062 -21.977 -3.301) 22.792 5.522 ( -7.147 -8.109 7.938) 13.411 5.682 ( -7.917 2.474 3.368) 8.952 5.984 ( -1.084 -6.659 -12.045) 13.806 6.219 ( -0.524 -13.415 5.490) 14.504 6.779 ( -0.614 -0.009 -0.229) 0.656 6.981 ( -10.403 0.541 -6.257) 12.152 7.115 ( 0.637 -7.427 3.391) 8.190 7.573 ( -2.754 -14.754 -0.699) 15.025 7.819 ( 0.140 -10.472 -5.373) 11.770 8.074 ( 6.359 -5.873 5.062) 10.027 8.454 ( 4.126 12.345 -6.050) 14.354 9.349 ( -1.139 5.671 0.878) 5.851 9.703 ( -2.860 2.496 12.655) 13.212 10.401 ( -0.555 -24.033 1.174) 24.068 10.740 ( 0.310 8.637 -0.644) 8.666 11.140 ( -1.920 7.327 1.932) 7.817 11.281 ( 0.879 -1.506 -0.738) 1.893 11.993 ( 13.301 -7.343 4.187) 15.760 13.151 ( -6.519 -0.064 -4.777) 8.082 13.593 ( 2.039 2.007 -2.113) 3.557 13.901 ( 1.205 -0.841 3.643) 3.928 14.776 ( -7.345 -0.907 6.928) 10.138 16.903 ( 8.182 10.607 -20.604) 24.576 17.513 ( -3.166 1.378 8.798) 9.451 18.194 ( 0.277 3.860 6.603) 7.653 ======================= Grid point 468 (226/320) ======================= q-point: ( 0.42 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 9.164 -10.429 2.180) 14.054 3.026 ( 9.185 -6.691 0.276) 11.367 3.433 ( 1.980 -8.989 -1.774) 9.374 3.749 ( 3.339 -13.553 8.381) 16.280 4.280 ( 3.183 -4.282 -1.559) 5.558 4.642 ( -9.819 -1.746 4.882) 11.104 5.096 ( -3.072 0.731 9.648) 10.152 5.487 ( -5.526 0.069 0.018) 5.527 5.642 ( -2.359 -6.154 5.194) 8.392 5.778 ( -2.579 -14.535 -6.933) 16.309 6.134 ( -6.448 -14.806 -2.360) 16.321 6.519 ( 5.658 -13.265 2.367) 14.614 6.707 ( 1.747 5.261 -3.471) 6.540 6.863 ( -9.848 -0.120 -5.705) 11.382 7.272 ( -1.444 -8.224 0.252) 8.353 7.758 ( -7.310 -12.036 -3.198) 14.440 7.999 ( 7.288 2.948 -8.207) 11.365 8.265 ( 6.528 -1.843 4.592) 8.191 8.330 ( 5.752 -7.837 -1.390) 9.820 9.183 ( -4.203 9.748 -0.744) 10.642 9.682 ( -4.352 0.682 15.062) 15.693 10.511 ( 2.552 12.146 2.625) 12.686 10.843 ( -0.556 -15.188 -0.575) 15.209 11.059 ( -6.708 -4.812 2.635) 8.666 11.329 ( 1.380 -2.887 -0.829) 3.306 12.219 ( 12.437 -3.693 6.974) 14.730 13.083 ( -5.386 0.664 -5.607) 7.803 13.589 ( 2.036 -1.039 -3.632) 4.291 13.926 ( -0.925 -1.098 3.008) 3.333 14.784 ( -3.963 -2.451 9.438) 10.526 16.642 ( -0.504 14.724 -14.320) 20.546 17.497 ( 1.757 2.037 4.820) 5.520 18.135 ( 0.896 4.526 3.270) 5.655 ======================= Grid point 469 (227/320) ======================= q-point: ( 0.50 0.17 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 6.000 -13.257 2.382) 14.745 3.156 ( 3.741 -1.889 -0.270) 4.200 3.737 ( 8.891 -16.909 0.103) 19.104 3.962 ( -5.829 -7.584 6.952) 11.825 4.447 ( 3.591 -9.903 4.781) 11.568 4.646 ( -6.377 -4.469 6.274) 10.001 5.040 ( -6.284 4.334 13.811) 15.780 5.457 ( -0.861 -1.055 -0.435) 1.430 5.779 ( 1.628 -7.151 1.365) 7.460 5.901 ( -6.141 -6.474 -11.207) 14.325 6.280 ( -12.530 -5.684 -0.508) 13.768 6.503 ( 0.976 10.304 -4.222) 11.178 6.795 ( 0.491 -6.614 3.531) 7.514 7.000 ( 9.945 -14.074 -2.194) 17.372 7.413 ( -4.464 -12.158 -7.698) 15.067 7.812 ( 5.091 12.333 -4.464) 14.069 7.930 ( -4.435 -8.280 -3.431) 10.000 8.315 ( 4.570 -1.960 0.561) 5.004 8.627 ( 7.297 -7.524 -2.226) 10.715 8.966 ( -5.968 5.462 0.407) 8.100 9.684 ( -4.747 -0.317 15.061) 15.794 10.283 ( 2.874 14.622 2.561) 15.121 10.945 ( -3.463 -2.917 0.364) 4.542 11.269 ( -2.147 -12.362 2.177) 12.735 11.422 ( 1.480 -7.909 -0.397) 8.056 12.329 ( 7.791 2.977 8.227) 11.715 13.025 ( -2.650 0.178 -6.615) 7.128 13.629 ( -0.271 -2.443 -4.891) 5.473 13.973 ( -0.417 -4.537 3.232) 5.586 14.856 ( -1.691 -4.464 12.824) 13.684 16.301 ( -2.974 15.966 -11.286) 19.777 17.483 ( 1.671 1.947 2.833) 3.823 18.054 ( 0.686 5.291 1.048) 5.437 ======================= Grid point 470 (228/320) ======================= q-point: ( 0.58 0.17 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 3.423 -9.955 0.243) 10.530 3.181 ( 0.543 0.240 -1.521) 1.633 3.926 ( -1.943 2.920 5.356) 6.402 4.167 ( 7.129 -13.715 3.954) 15.955 4.618 ( -5.714 -1.818 13.154) 14.456 4.760 ( -1.269 -8.582 10.303) 13.469 4.963 ( -3.613 -0.001 8.646) 9.371 5.494 ( 0.146 -1.337 -3.159) 3.433 5.886 ( -6.354 -5.983 -8.278) 12.029 5.961 ( 2.780 -6.439 -4.300) 8.227 6.213 ( -8.566 1.456 -5.933) 10.521 6.335 ( -1.016 4.135 1.993) 4.701 6.905 ( 3.069 0.240 3.055) 4.337 7.202 ( 6.042 -2.377 -1.842) 6.749 7.547 ( 3.453 7.394 1.220) 8.252 7.787 ( -2.783 -20.084 -8.365) 21.934 7.968 ( 0.818 1.135 -5.727) 5.895 8.404 ( 3.472 1.719 -2.254) 4.482 8.613 ( -2.163 -2.310 -3.653) 4.834 8.984 ( 0.921 -1.981 0.494) 2.240 9.693 ( -4.343 -0.119 14.169) 14.820 10.053 ( 2.326 11.828 3.032) 12.430 10.977 ( -3.476 -3.619 -0.119) 5.019 11.374 ( 0.044 -1.642 2.310) 2.835 11.671 ( 1.436 -14.882 -2.625) 15.179 12.275 ( 3.589 9.185 7.169) 12.192 13.010 ( 0.631 -1.188 -5.582) 5.742 13.622 ( -3.503 0.027 -4.085) 5.381 14.099 ( 0.649 -6.492 1.716) 6.747 14.984 ( -1.359 -6.031 16.303) 17.435 15.974 ( -1.106 13.375 -10.025) 16.751 17.472 ( -0.260 0.318 2.470) 2.504 17.961 ( 0.398 4.976 -0.131) 4.993 ======================= Grid point 471 (229/320) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -1.088 -2.018 -3.119) 3.871 3.156 ( -0.056 1.956 -2.806) 3.421 3.810 ( 2.692 11.213 11.220) 16.089 4.399 ( 2.043 -2.486 5.338) 6.233 4.469 ( -6.318 10.692 15.113) 19.562 4.969 ( -5.381 -9.278 13.741) 17.431 5.007 ( 1.256 -2.415 -2.327) 3.581 5.440 ( -1.263 2.641 -5.877) 6.566 5.951 ( -6.372 -7.518 -5.368) 11.222 6.087 ( 3.623 -0.580 -2.893) 4.673 6.125 ( -1.308 -2.717 -5.440) 6.220 6.395 ( 0.204 -8.147 3.100) 8.719 6.832 ( 6.022 8.250 1.659) 10.348 7.228 ( -0.377 6.076 2.501) 6.581 7.461 ( -0.241 -1.706 -0.449) 1.781 7.871 ( 0.456 3.537 -4.160) 5.480 8.159 ( 3.028 -9.699 -6.274) 11.942 8.260 ( 0.627 3.906 -7.698) 8.655 8.786 ( 0.219 -7.274 0.026) 7.278 8.920 ( 1.105 5.401 -2.648) 6.116 9.694 ( -4.500 0.287 13.419) 14.156 9.928 ( 0.110 2.878 2.272) 3.669 11.030 ( -1.371 -4.073 -0.707) 4.355 11.387 ( 0.095 0.641 1.993) 2.096 11.911 ( 0.535 -9.096 -5.725) 10.761 12.113 ( 1.583 9.977 3.101) 10.567 13.049 ( 2.481 -2.728 -1.556) 4.002 13.575 ( -3.490 0.686 -2.801) 4.527 14.166 ( -1.838 -0.040 -1.451) 2.342 15.124 ( -3.450 -5.347 17.891) 18.989 15.776 ( 5.176 5.948 -8.089) 11.297 17.490 ( -2.331 -2.716 3.082) 4.723 17.886 ( 0.122 2.973 -0.424) 3.006 ======================= Grid point 472 (230/320) ======================= q-point: (-0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -5.404 7.394 -3.191) 9.699 3.085 ( -0.033 5.185 -3.494) 6.253 3.613 ( 7.698 17.934 13.182) 23.551 4.123 ( -8.456 17.735 15.342) 24.928 4.467 ( 1.024 2.902 -3.840) 4.921 4.898 ( -4.593 3.294 -1.640) 5.885 5.169 ( -2.761 -5.607 11.498) 13.087 5.433 ( 2.714 -2.003 -0.439) 3.401 5.997 ( -4.647 -0.653 1.255) 4.857 6.087 ( -0.699 -3.752 -4.421) 5.841 6.202 ( 3.321 -1.208 1.984) 4.053 6.456 ( 0.910 3.452 -1.413) 3.839 6.875 ( 6.073 1.286 3.588) 7.170 7.040 ( -0.334 2.059 -0.623) 2.177 7.551 ( -3.146 -6.655 -2.594) 7.805 7.835 ( 1.221 -0.432 -3.493) 3.725 8.045 ( 6.117 9.518 -10.676) 15.556 8.359 ( -1.769 -0.926 0.658) 2.102 8.585 ( 1.710 17.454 -2.716) 17.746 9.062 ( 0.800 -10.438 -2.692) 10.809 9.668 ( -5.702 1.678 11.943) 13.340 9.980 ( -1.544 -8.695 1.307) 8.927 11.087 ( 0.401 -1.797 -0.086) 1.844 11.369 ( 0.853 1.847 -0.090) 2.037 11.848 ( -0.722 10.370 2.389) 10.667 12.074 ( -1.514 -2.019 -12.273) 12.530 13.141 ( 3.747 -4.217 3.330) 6.551 13.534 ( -1.324 0.837 -3.142) 3.511 14.071 ( -5.107 5.430 -3.454) 8.216 15.202 ( -6.100 -2.050 15.349) 16.644 15.795 ( 12.171 -1.813 -4.898) 13.244 17.559 ( -4.421 -6.486 4.643) 9.120 17.854 ( 0.124 0.501 -0.273) 0.584 ======================= Grid point 473 (231/320) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -7.277 15.889 0.925) 17.500 2.941 ( -0.426 8.776 -2.160) 9.048 3.319 ( 9.773 24.285 12.087) 28.833 3.791 ( -6.901 13.529 9.540) 17.936 4.320 ( 1.409 9.089 -13.256) 16.134 4.882 ( -2.750 -2.645 8.098) 8.952 5.183 ( -3.825 2.618 4.976) 6.800 5.536 ( 1.526 -4.547 9.805) 10.915 5.892 ( -1.927 9.097 5.761) 10.939 6.140 ( 2.237 0.661 1.243) 2.643 6.219 ( -2.197 0.515 3.714) 4.346 6.426 ( 1.789 0.674 -7.149) 7.400 6.640 ( 1.094 12.357 -1.231) 12.466 7.290 ( 0.762 -14.031 -0.645) 14.067 7.623 ( -0.360 -2.843 -2.552) 3.837 7.820 ( 2.100 3.990 -6.424) 7.849 7.945 ( 8.586 4.008 -2.855) 9.896 8.196 ( -3.829 13.579 -1.281) 14.167 8.293 ( -1.034 11.968 -6.844) 13.825 9.234 ( 0.542 -8.145 -1.697) 8.338 9.635 ( -5.778 0.178 12.820) 14.062 10.197 ( -1.523 -14.258 -0.205) 14.341 11.075 ( 1.241 4.090 0.792) 4.347 11.331 ( 1.607 2.988 -1.756) 3.820 11.687 ( -3.755 4.746 0.160) 6.054 11.945 ( -2.541 10.918 -14.365) 18.221 13.271 ( 4.426 -4.659 4.760) 7.997 13.507 ( 0.641 0.605 -4.541) 4.626 13.914 ( -6.068 4.968 -2.311) 8.176 15.195 ( -8.622 0.140 12.372) 15.080 15.968 ( 17.556 -5.000 -5.329) 19.016 17.681 ( -8.671 -9.761 7.177) 14.899 17.864 ( 2.057 -0.802 -0.209) 2.218 ======================= Grid point 474 (232/320) ======================= q-point: (-0.08 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -8.415 21.488 6.351) 23.935 2.774 ( 0.217 8.030 2.187) 8.326 2.960 ( 14.642 25.393 8.554) 30.535 3.585 ( -5.826 5.754 5.538) 9.885 4.148 ( 4.703 7.156 -13.835) 16.270 4.929 ( -3.882 -0.514 9.109) 9.915 5.094 ( -3.573 3.794 7.061) 8.776 5.598 ( 2.552 4.168 9.549) 10.727 5.757 ( -2.134 3.544 9.779) 10.618 6.047 ( -5.702 12.023 2.292) 13.502 6.122 ( 0.432 6.232 -0.115) 6.248 6.328 ( 1.383 3.768 -6.419) 7.571 6.657 ( 2.270 -7.938 -4.280) 9.300 7.428 ( -4.566 -1.758 -1.548) 5.132 7.531 ( 2.180 12.044 0.996) 12.280 7.693 ( 0.109 12.959 2.555) 13.208 7.850 ( 3.592 16.160 1.211) 16.599 8.058 ( 2.317 -5.017 -4.320) 7.014 8.168 ( 0.107 -6.908 -18.616) 19.857 9.355 ( -0.624 -4.661 -0.289) 4.712 9.640 ( -5.046 -1.386 13.012) 14.025 10.440 ( -1.227 -11.749 -1.060) 11.860 10.999 ( 1.749 3.534 -0.096) 3.944 11.270 ( 1.923 6.402 0.057) 6.685 11.433 ( -12.669 18.618 -11.007) 25.065 11.729 ( 6.010 4.502 -4.316) 8.662 13.392 ( 2.473 -3.941 2.289) 5.185 13.500 ( 1.010 -0.469 -4.121) 4.269 13.793 ( -3.949 3.473 0.341) 5.270 15.141 ( -11.563 0.278 10.588) 15.680 16.207 ( 22.982 -5.555 -9.803) 25.595 17.775 ( -12.628 -6.088 5.786) 15.166 17.946 ( 2.937 -6.119 3.969) 7.863 ======================= Grid point 478 (233/320) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 21.468 -0.000 -2.426) 21.605 2.910 ( 4.593 -0.000 7.502) 8.796 3.064 ( 26.646 -0.000 -6.941) 27.536 3.287 ( 0.877 -0.000 -4.422) 4.508 4.296 ( -6.045 0.000 -2.200) 6.433 4.627 ( -7.284 0.000 -2.256) 7.625 4.713 ( -1.718 0.000 5.937) 6.180 5.011 ( -3.129 0.000 5.071) 5.959 5.089 ( -2.107 0.000 -1.767) 2.749 5.861 ( -8.982 0.000 -0.610) 9.003 5.921 ( 1.690 -0.000 -7.303) 7.496 5.986 ( -11.169 0.000 3.472) 11.696 6.500 ( -2.151 0.000 18.105) 18.232 6.983 ( -9.438 0.000 -5.181) 10.767 7.040 ( -3.192 0.000 -6.012) 6.807 7.164 ( 2.680 -0.000 -2.453) 3.633 7.683 ( -3.898 0.000 -9.236) 10.024 7.959 ( 1.438 -0.000 19.276) 19.330 8.735 ( 2.574 -0.000 -8.980) 9.342 9.470 ( 0.698 -0.000 5.474) 5.518 9.767 ( 6.260 -0.000 -1.061) 6.349 9.805 ( 0.990 -0.000 3.835) 3.961 10.939 ( 0.517 -0.000 0.365) 0.633 11.243 ( -0.128 0.000 0.408) 0.427 11.512 ( 5.863 -0.000 2.301) 6.299 11.684 ( 7.278 -0.000 3.311) 7.996 13.137 ( -5.299 0.000 -4.649) 7.049 13.657 ( 1.706 -0.000 -0.601) 1.809 13.877 ( 1.198 -0.000 2.844) 3.086 14.763 ( -7.704 0.000 6.053) 9.798 17.103 ( 11.338 -0.000 -24.746) 27.219 17.538 ( -3.337 0.000 9.844) 10.394 18.281 ( -2.553 0.000 10.093) 10.411 ======================= Grid point 479 (234/320) ======================= q-point: ( 0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 19.304 13.859 -3.255) 23.985 2.905 ( 6.099 1.888 -4.321) 7.709 3.299 ( 4.523 -1.720 -4.890) 6.880 3.367 ( 17.102 -6.580 5.300) 19.075 4.196 ( -8.841 0.158 -2.637) 9.227 4.653 ( -4.641 -0.971 3.699) 6.014 4.830 ( -1.076 -16.817 2.237) 16.999 5.023 ( -1.634 -4.108 -0.710) 4.478 5.260 ( -6.995 -14.457 4.950) 16.806 5.713 ( -8.637 5.813 -0.233) 10.414 5.883 ( -2.249 -0.241 -11.343) 11.567 6.007 ( -2.301 -7.706 6.804) 10.534 6.664 ( -3.621 -10.661 11.684) 16.226 6.897 ( -9.941 -0.116 -4.920) 11.093 7.056 ( 2.180 -3.912 -3.925) 5.955 7.268 ( -0.946 -10.703 -1.128) 10.803 7.653 ( -3.906 -3.480 -7.704) 9.312 8.048 ( 2.327 -3.221 14.502) 15.036 8.657 ( 3.737 7.582 -8.087) 11.698 9.448 ( 0.278 3.975 4.729) 6.184 9.782 ( 0.230 3.798 6.971) 7.942 9.995 ( 3.388 -17.718 -0.796) 18.057 10.893 ( 1.124 5.576 0.424) 5.704 11.248 ( -0.369 -0.015 0.022) 0.370 11.352 ( -0.175 12.181 1.663) 12.295 11.941 ( 13.449 -10.516 6.014) 18.101 13.092 ( -4.338 -0.210 -4.549) 6.289 13.645 ( 1.456 2.238 -1.152) 2.907 13.889 ( -1.573 -0.915 0.953) 2.054 14.739 ( -4.029 -0.408 7.540) 8.558 17.030 ( -1.905 5.319 -17.192) 18.097 17.565 ( 6.391 1.108 4.484) 7.885 18.267 ( -1.302 2.236 7.842) 8.258 ======================= Grid point 480 (235/320) ======================= q-point: ( 0.42 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 14.319 4.067 -2.556) 15.103 2.992 ( 11.377 -4.694 -1.735) 12.429 3.331 ( 1.098 -3.030 -3.759) 4.952 3.604 ( 5.535 -7.302 7.593) 11.901 4.174 ( -7.844 -4.909 -0.782) 9.286 4.618 ( -1.881 2.204 5.344) 6.079 5.077 ( -0.659 -3.245 4.959) 5.963 5.242 ( -4.939 -21.952 -3.248) 22.734 5.476 ( -2.788 -13.331 2.971) 13.940 5.576 ( -6.074 1.662 0.307) 6.305 5.876 ( -6.461 -5.640 -3.647) 9.320 6.248 ( 2.811 -15.558 -2.974) 16.087 6.746 ( -9.050 -0.984 2.856) 9.541 6.819 ( -1.419 2.260 -5.105) 5.760 7.177 ( 4.575 -5.558 2.371) 7.579 7.472 ( -8.515 -11.468 -0.852) 14.309 7.813 ( 1.477 -18.437 -3.591) 18.842 8.179 ( 4.106 -4.929 3.112) 7.130 8.501 ( 5.281 10.230 -3.848) 12.138 9.341 ( -0.764 8.654 1.330) 8.789 9.722 ( -3.105 3.289 12.152) 12.966 10.415 ( 1.155 -23.739 2.297) 23.878 10.760 ( 2.131 9.595 0.318) 9.834 11.098 ( -4.237 9.347 1.426) 10.361 11.296 ( 1.713 -1.641 -0.817) 2.508 12.238 ( 13.178 -7.371 8.266) 17.214 13.046 ( -3.435 0.604 -4.992) 6.089 13.604 ( 0.844 2.125 -2.675) 3.519 13.892 ( -3.234 -1.339 -0.214) 3.507 14.758 ( -0.801 -1.242 9.837) 9.948 16.809 ( -7.632 9.837 -11.328) 16.832 17.594 ( 8.473 3.099 0.871) 9.064 18.224 ( -0.283 3.539 4.759) 5.937 ======================= Grid point 481 (236/320) ======================= q-point: ( 0.50 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 8.217 -7.332 -0.292) 11.017 3.149 ( 5.448 -2.512 -0.263) 6.005 3.511 ( 9.792 -14.241 -0.456) 17.288 3.787 ( -1.955 -8.834 7.293) 11.621 4.245 ( -10.115 -9.715 3.244) 14.396 4.608 ( 2.708 0.001 6.046) 6.624 5.090 ( -4.173 1.691 9.470) 10.486 5.423 ( -2.896 -2.352 0.535) 3.769 5.615 ( -2.839 -10.276 -0.868) 10.696 5.700 ( -2.897 -9.275 -8.117) 12.661 6.012 ( -7.916 -12.854 0.449) 15.102 6.549 ( -0.140 -12.020 -7.946) 14.410 6.714 ( -6.964 -3.833 4.061) 8.927 6.746 ( 4.760 -0.711 -4.345) 6.484 7.299 ( 4.450 -2.751 -2.594) 5.840 7.617 ( -9.243 -13.703 2.301) 16.688 8.068 ( 7.185 3.841 -8.498) 11.772 8.365 ( 3.264 -7.060 3.698) 8.613 8.411 ( 5.898 -6.901 -1.852) 9.265 9.118 ( -3.592 12.911 -0.548) 13.413 9.687 ( -5.037 0.984 14.629) 15.504 10.567 ( 3.113 12.093 2.120) 12.666 10.859 ( 1.826 -13.927 1.691) 14.148 10.970 ( -6.086 -5.352 2.299) 8.425 11.355 ( 2.395 -3.058 -1.078) 4.031 12.436 ( 9.345 -1.397 9.772) 13.593 12.997 ( -1.438 0.662 -6.183) 6.382 13.579 ( -0.492 -0.460 -4.789) 4.836 13.899 ( -3.016 -2.648 0.026) 4.014 14.825 ( 1.220 -2.544 12.675) 12.985 16.502 ( -8.832 12.912 -8.937) 18.016 17.581 ( 6.534 4.528 -0.181) 7.951 18.155 ( 0.031 4.679 2.177) 5.161 ======================= Grid point 482 (237/320) ======================= q-point: ( 0.58 0.25 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 2.453 -11.260 0.254) 11.526 3.188 ( 1.298 -0.062 -0.751) 1.501 3.903 ( 7.736 -8.913 1.059) 11.849 3.961 ( 4.554 -14.422 8.440) 17.319 4.390 ( -12.062 -13.125 8.732) 19.850 4.700 ( 4.671 -4.034 7.613) 9.800 5.014 ( -5.135 4.650 11.288) 13.244 5.448 ( 0.103 -2.378 -0.862) 2.531 5.705 ( -8.116 -4.793 -9.478) 13.367 5.850 ( 3.960 -8.559 -2.613) 9.786 6.081 ( -10.983 -4.160 -2.300) 11.967 6.481 ( -1.557 8.663 -2.335) 9.106 6.806 ( -1.635 -8.361 5.302) 10.034 7.121 ( 5.960 -24.470 -6.402) 25.987 7.334 ( -0.091 -1.947 -7.180) 7.440 7.836 ( -2.871 -8.459 1.260) 9.021 7.893 ( 5.454 10.286 -4.837) 12.608 8.379 ( 4.131 -0.162 -1.995) 4.591 8.716 ( 5.494 0.091 -2.050) 5.865 8.881 ( -5.145 -1.025 0.757) 5.301 9.680 ( -5.593 -0.527 14.295) 15.359 10.346 ( 3.296 14.621 2.745) 15.237 10.891 ( -3.245 -2.132 -0.253) 3.891 11.269 ( -0.131 -13.521 4.066) 14.120 11.452 ( 2.572 -6.948 -1.391) 7.538 12.475 ( 5.021 5.706 9.241) 11.965 12.979 ( 1.211 -0.703 -6.639) 6.785 13.570 ( -3.079 -0.981 -5.945) 6.766 13.972 ( -0.910 -6.818 0.900) 6.937 14.935 ( 1.582 -3.914 15.802) 16.356 16.165 ( -7.574 13.114 -8.699) 17.465 17.534 ( 3.600 4.372 0.064) 5.664 18.063 ( -0.008 5.471 0.574) 5.501 ======================= Grid point 483 (238/320) ======================= q-point: (-0.33 -0.75 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -3.273 -8.003 -0.711) 8.675 3.185 ( 1.654 1.127 -1.800) 2.692 3.994 ( 4.587 0.998 9.492) 10.590 4.307 ( 7.003 -9.610 1.913) 12.044 4.576 ( -7.162 -6.807 15.196) 18.126 4.777 ( -6.062 -2.961 15.440) 16.849 4.983 ( 2.516 -1.922 1.160) 3.372 5.451 ( -2.536 1.761 -5.992) 6.741 5.722 ( -6.801 -7.798 -7.086) 12.541 6.018 ( 4.979 -6.546 -3.966) 9.130 6.081 ( -4.085 -3.257 -4.242) 6.730 6.335 ( -0.495 3.425 2.063) 4.029 6.935 ( -1.302 -3.632 3.707) 5.350 7.260 ( 1.929 3.408 -1.972) 4.385 7.585 ( 1.726 -1.073 -3.785) 4.296 7.731 ( -0.011 -13.365 -2.531) 13.602 7.949 ( 1.066 0.017 -6.309) 6.398 8.435 ( 3.142 6.574 -6.763) 9.941 8.581 ( -0.299 -5.447 0.498) 5.478 9.002 ( 1.157 -1.927 -0.068) 2.248 9.689 ( -5.199 -0.765 12.874) 13.905 10.110 ( 2.285 13.101 3.786) 13.827 10.934 ( -1.267 -4.397 -1.088) 4.704 11.395 ( 0.427 -1.405 3.809) 4.082 11.667 ( -0.005 -12.812 -3.504) 13.283 12.371 ( 4.028 10.849 6.532) 13.289 13.005 ( 1.873 -2.391 -4.690) 5.587 13.540 ( -3.411 -0.396 -4.535) 5.688 14.102 ( -0.657 -5.737 0.283) 5.782 15.065 ( -0.476 -4.134 18.342) 18.809 15.890 ( -3.238 7.992 -9.368) 12.732 17.487 ( 1.009 2.367 1.186) 2.833 17.962 ( -0.133 5.021 -0.173) 5.026 ======================= Grid point 484 (239/320) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -6.910 -0.707 -0.284) 6.951 3.156 ( 1.881 3.081 -3.274) 4.873 3.992 ( 10.833 9.318 11.717) 18.479 4.390 ( -6.316 8.649 6.931) 12.756 4.487 ( -1.770 2.742 11.487) 11.941 4.919 ( -4.886 -1.375 3.225) 6.014 5.037 ( 0.182 -6.144 6.686) 9.082 5.393 ( -2.359 -1.513 -5.715) 6.365 5.833 ( -2.420 -8.784 -5.288) 10.535 6.053 ( -2.794 0.099 -1.129) 3.015 6.170 ( 6.355 -4.349 -5.514) 9.471 6.420 ( 0.632 -8.959 3.024) 9.477 6.908 ( 2.352 4.974 1.167) 5.625 7.211 ( -3.477 4.233 2.839) 6.170 7.467 ( 1.627 4.266 -1.392) 4.773 7.849 ( -0.118 1.928 -4.395) 4.800 8.156 ( -0.400 -17.730 -2.964) 17.981 8.233 ( 2.587 9.971 -10.207) 14.501 8.797 ( 0.936 -7.326 0.066) 7.386 8.934 ( 2.672 5.973 -3.163) 7.268 9.683 ( -5.316 0.774 11.910) 13.065 9.947 ( -0.017 5.262 4.083) 6.660 11.019 ( 0.770 -4.802 -1.261) 5.024 11.407 ( 0.598 1.067 2.779) 3.036 11.836 ( -4.762 -7.141 -4.263) 9.583 12.190 ( 4.927 12.387 0.561) 13.342 13.079 ( 1.824 -4.867 -0.642) 5.237 13.520 ( -0.961 -0.434 -2.981) 3.162 14.121 ( -2.701 2.720 -0.553) 3.873 15.155 ( -4.885 -2.281 17.510) 18.322 15.809 ( 4.374 -1.663 -8.807) 9.973 17.477 ( -1.275 -0.884 3.204) 3.560 17.885 ( 0.078 2.787 -0.403) 2.817 ======================= Grid point 485 (240/320) ======================= q-point: (-0.17 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -7.495 7.395 2.070) 10.730 3.073 ( 1.030 6.092 -3.122) 6.923 3.851 ( 13.151 18.723 8.909) 24.553 4.071 ( -7.768 17.929 12.438) 23.162 4.453 ( 1.223 5.530 -5.910) 8.186 4.843 ( -3.547 0.384 4.319) 5.602 5.168 ( -4.588 -3.115 9.584) 11.073 5.437 ( -2.726 -6.256 0.009) 6.824 5.915 ( -3.715 -0.945 -0.376) 3.852 6.090 ( 2.534 -5.523 -1.288) 6.211 6.277 ( 4.907 -3.925 -0.257) 6.289 6.465 ( 0.574 6.992 -0.130) 7.017 6.946 ( 0.122 6.231 2.810) 6.836 7.025 ( -0.454 -1.986 -1.519) 2.541 7.489 ( -2.527 -5.747 -3.132) 7.016 7.846 ( 3.025 -1.361 -4.506) 5.595 8.070 ( 3.884 7.105 -9.680) 12.620 8.328 ( -2.161 -0.440 0.665) 2.303 8.612 ( 3.234 18.132 -2.543) 18.593 9.056 ( 0.221 -9.642 -2.981) 10.095 9.642 ( -5.446 1.643 11.791) 13.092 9.973 ( -0.911 -7.398 3.117) 8.079 11.095 ( 0.611 -2.180 -0.366) 2.293 11.385 ( 0.811 2.188 -0.147) 2.338 11.793 ( -5.616 6.499 1.687) 8.753 12.037 ( 2.482 5.902 -8.612) 10.732 13.204 ( 1.840 -6.286 1.903) 6.821 13.517 ( 1.784 0.576 -3.360) 3.847 13.989 ( -3.680 7.068 0.337) 7.976 15.162 ( -8.862 0.158 13.699) 16.316 15.944 ( 10.996 -7.744 -8.380) 15.846 17.515 ( -4.684 -4.070 6.091) 8.695 17.866 ( 1.530 -0.268 -0.356) 1.594 ======================= Grid point 486 (241/320) ======================= q-point: (-0.08 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -7.606 15.739 5.056) 18.197 2.940 ( 1.922 8.373 -0.931) 8.641 3.571 ( 14.631 23.774 5.638) 28.479 3.731 ( -6.634 14.069 8.549) 17.749 4.302 ( 4.542 8.522 -11.513) 15.027 4.884 ( -3.685 -3.491 10.109) 11.312 5.135 ( -5.637 2.585 5.382) 8.212 5.563 ( -3.945 -7.415 7.982) 11.587 5.837 ( -6.485 4.247 3.364) 8.450 6.185 ( 4.540 1.723 -5.287) 7.178 6.260 ( 0.766 11.302 10.454) 15.415 6.430 ( 4.123 -5.931 -5.747) 9.231 6.640 ( 0.061 14.857 -1.700) 14.955 7.227 ( -7.262 -11.184 -1.992) 13.483 7.616 ( 1.367 -8.002 -3.952) 9.029 7.822 ( 1.990 5.661 -7.027) 9.240 8.016 ( 2.532 -1.006 -5.250) 5.915 8.169 ( 0.436 14.174 1.329) 14.243 8.285 ( 4.856 17.725 -4.503) 18.922 9.211 ( -2.223 -8.515 -1.902) 9.004 9.625 ( -4.480 -0.197 13.825) 14.534 10.184 ( -0.387 -13.678 1.270) 13.742 11.081 ( -0.823 3.608 -0.387) 3.721 11.339 ( 0.286 2.618 -2.355) 3.533 11.594 ( -6.699 10.160 0.658) 12.188 11.908 ( 4.117 8.220 -6.451) 11.231 13.325 ( -0.660 -5.006 0.270) 5.057 13.503 ( 2.952 1.383 -4.249) 5.356 13.856 ( -1.401 4.829 3.209) 5.965 15.094 ( -11.739 1.579 10.589) 15.888 16.192 ( 16.189 -9.712 -11.315) 22.009 17.574 ( -9.553 -5.694 8.543) 14.024 17.916 ( 3.784 -2.705 0.815) 4.723 ======================= Grid point 491 (242/320) ======================= q-point: ( 0.33 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 15.691 -0.000 -6.459) 16.968 2.958 ( 6.694 -0.000 -6.559) 9.372 3.276 ( 0.917 -0.000 -4.295) 4.392 3.505 ( 23.346 -0.000 3.823) 23.657 4.089 ( -14.825 0.000 -2.060) 14.967 4.493 ( -5.849 0.000 -3.869) 7.013 4.780 ( 1.146 -0.000 9.585) 9.653 4.987 ( -2.917 0.000 3.636) 4.661 5.049 ( -1.794 0.000 -1.090) 2.099 5.702 ( -7.907 0.000 -6.090) 9.980 5.840 ( -6.782 0.000 -5.227) 8.562 5.950 ( 0.757 -0.000 7.276) 7.315 6.500 ( -7.850 0.000 11.930) 14.281 6.803 ( -10.225 0.000 -2.954) 10.643 6.988 ( 1.176 -0.000 -2.327) 2.608 7.218 ( 4.783 -0.000 -4.962) 6.892 7.569 ( -4.833 0.000 -7.355) 8.801 8.068 ( -0.430 0.000 18.296) 18.301 8.736 ( 3.752 -0.000 -8.588) 9.372 9.509 ( 0.159 -0.000 6.729) 6.730 9.847 ( 1.906 -0.000 3.287) 3.799 9.848 ( 4.820 -0.000 -1.534) 5.058 10.955 ( 1.154 -0.000 0.456) 1.241 11.239 ( -0.869 0.000 0.526) 1.016 11.513 ( -2.437 0.000 0.554) 2.499 11.930 ( 15.542 -0.000 9.172) 18.046 13.054 ( -2.291 0.000 -4.580) 5.121 13.678 ( 1.342 -0.000 -0.670) 1.500 13.854 ( -4.353 0.000 -1.650) 4.655 14.737 ( -0.906 0.000 8.902) 8.948 16.991 ( -10.066 0.000 -10.666) 14.666 17.660 ( 12.495 -0.000 -1.006) 12.535 18.297 ( -1.308 0.000 7.128) 7.247 ======================= Grid point 492 (243/320) ======================= q-point: ( 0.42 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 11.750 13.340 -6.579) 18.956 3.016 ( 10.852 -1.676 -4.945) 12.043 3.291 ( 0.828 -1.481 -4.448) 4.761 3.616 ( 5.738 1.060 5.054) 7.719 4.016 ( -9.878 -2.298 -0.579) 10.158 4.608 ( 0.222 -9.559 -1.353) 9.656 4.843 ( -3.199 -8.330 5.913) 10.704 5.019 ( 1.104 -3.926 1.164) 4.241 5.186 ( -4.238 -14.156 2.573) 14.999 5.583 ( -7.001 3.701 -2.229) 8.227 5.766 ( -7.302 -0.672 -2.520) 7.754 6.047 ( 3.289 -7.253 1.300) 8.070 6.630 ( -6.087 -9.091 5.337) 12.173 6.738 ( -7.481 -4.279 -1.144) 8.694 7.078 ( 2.185 -7.774 -0.455) 8.088 7.261 ( 1.111 -3.711 -3.386) 5.145 7.559 ( -3.341 -5.891 -5.965) 9.025 8.138 ( -0.056 -3.176 12.565) 12.961 8.685 ( 5.117 6.185 -7.343) 10.879 9.477 ( 0.084 4.980 5.422) 7.362 9.816 ( -0.244 4.738 5.374) 7.169 10.048 ( 3.585 -16.309 0.134) 16.699 10.918 ( 1.660 5.061 0.581) 5.358 11.226 ( -2.238 2.391 0.077) 3.276 11.353 ( -0.036 9.824 1.006) 9.875 12.195 ( 12.832 -9.775 9.995) 18.976 13.026 ( -0.955 0.418 -4.925) 5.034 13.654 ( 0.346 2.886 -1.580) 3.308 13.826 ( -5.118 -1.703 -2.842) 6.097 14.771 ( 1.416 -0.616 10.505) 10.618 16.834 ( -13.188 4.430 -6.566) 15.384 17.730 ( 12.338 2.530 -3.226) 13.002 18.287 ( -0.241 2.102 4.964) 5.396 ======================= Grid point 493 (244/320) ======================= q-point: ( 0.50 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 6.352 4.858 -3.566) 8.755 3.147 ( 7.079 -2.788 -0.984) 7.672 3.367 ( 7.135 -8.020 -2.313) 10.981 3.669 ( -0.966 -4.554 4.361) 6.379 4.001 ( -11.847 -5.595 1.953) 13.246 4.678 ( 3.836 1.766 7.191) 8.340 5.077 ( -3.228 -4.611 3.522) 6.640 5.148 ( -3.882 -19.772 -2.402) 20.293 5.447 ( -2.732 -10.337 -1.319) 10.773 5.499 ( -3.460 -1.961 -0.867) 4.070 5.778 ( -5.128 -7.326 1.709) 9.105 6.258 ( 0.761 -13.401 -5.193) 14.392 6.606 ( -5.854 -0.347 -2.414) 6.342 6.821 ( -0.290 -0.032 3.739) 3.750 7.249 ( 1.874 -6.573 -4.594) 8.235 7.358 ( -3.139 -8.144 4.351) 9.752 7.815 ( 1.110 -23.671 -3.371) 23.935 8.236 ( 2.097 -4.016 0.740) 4.590 8.569 ( 5.380 8.659 -2.921) 10.604 9.339 ( -0.422 11.165 1.551) 11.280 9.733 ( -3.547 3.971 11.243) 12.440 10.457 ( 2.320 -23.337 2.659) 23.602 10.803 ( 2.796 8.921 0.703) 9.375 11.037 ( -3.749 10.210 0.599) 10.893 11.322 ( 1.933 -1.762 -0.805) 2.737 12.467 ( 9.404 -6.106 10.846) 15.600 12.996 ( 0.580 1.043 -5.820) 5.942 13.586 ( -1.142 2.744 -3.745) 4.781 13.821 ( -4.287 -2.401 -2.406) 5.471 14.838 ( 2.871 -1.533 12.294) 12.717 16.594 ( -13.898 8.363 -4.608) 16.862 17.735 ( 9.510 5.104 -3.618) 11.383 18.243 ( 0.640 3.876 2.616) 4.720 ======================= Grid point 494 (245/320) ======================= q-point: (-0.42 -0.67 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.042 -6.108 -0.191) 6.112 3.194 ( 1.828 -0.412 -0.821) 2.046 3.706 ( 7.322 -17.737 5.466) 19.952 3.800 ( 4.069 -8.335 0.374) 9.282 4.075 ( -10.803 -11.036 5.325) 16.335 4.713 ( 3.597 -0.566 8.082) 8.865 5.076 ( -3.115 2.059 8.169) 8.982 5.398 ( -1.045 -4.465 0.423) 4.605 5.523 ( -7.134 -6.637 -5.387) 11.134 5.630 ( -0.600 -15.201 -4.650) 15.908 5.908 ( -5.455 -6.240 0.676) 8.316 6.470 ( -4.133 -9.164 -7.061) 12.285 6.651 ( -4.091 -7.980 5.104) 10.318 6.816 ( 5.491 -3.132 -2.644) 6.852 7.297 ( -3.542 -2.721 -6.643) 8.004 7.580 ( 3.505 -12.742 6.046) 14.532 8.127 ( 6.187 2.574 -9.202) 11.384 8.408 ( 0.652 -10.722 1.875) 10.904 8.484 ( 4.559 -5.516 -1.979) 7.425 9.070 ( -2.203 15.939 -0.072) 16.091 9.682 ( -5.113 1.497 13.954) 14.936 10.626 ( 2.691 11.570 1.984) 12.044 10.869 ( -3.442 0.810 1.472) 3.830 10.941 ( 2.891 -19.249 1.840) 19.552 11.386 ( 2.314 -3.412 -1.431) 4.363 12.603 ( 5.285 0.808 10.400) 11.694 12.976 ( 2.731 0.503 -6.628) 7.187 13.527 ( -2.342 0.698 -5.877) 6.365 13.849 ( -2.716 -4.665 -0.949) 5.481 14.937 ( 3.406 -2.610 14.448) 15.072 16.292 ( -13.267 10.958 -4.390) 17.758 17.676 ( 6.298 6.494 -3.147) 9.578 18.167 ( 0.654 5.286 1.024) 5.424 ======================= Grid point 495 (246/320) ======================= q-point: (-0.33 -0.67 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -4.687 -9.773 1.377) 10.926 3.211 ( 2.734 0.162 -1.373) 3.064 3.933 ( -5.378 -9.963 5.700) 12.676 4.165 ( 11.866 -13.587 0.637) 18.050 4.285 ( -3.460 -16.752 11.231) 20.463 4.773 ( -2.467 -1.014 9.618) 9.981 5.024 ( 0.958 3.192 7.207) 7.940 5.431 ( -2.849 -0.592 -3.082) 4.238 5.542 ( -5.407 -5.040 -4.458) 8.632 5.907 ( 5.424 -9.244 -4.314) 11.553 5.941 ( -5.066 -6.000 -1.784) 8.053 6.437 ( -3.093 5.380 0.183) 6.209 6.795 ( -4.359 -8.699 7.425) 12.240 7.128 ( 2.027 -23.449 -8.369) 24.980 7.292 ( -2.750 -1.941 -5.571) 6.509 7.844 ( 3.386 -6.346 1.108) 7.277 7.961 ( 5.991 11.242 -5.446) 13.854 8.421 ( 3.519 -1.261 -4.474) 5.830 8.745 ( -2.585 15.712 -0.143) 15.924 8.847 ( 2.200 -15.654 -0.173) 15.808 9.667 ( -5.390 -0.276 13.677) 14.703 10.402 ( 1.725 14.371 2.509) 14.690 10.856 ( -0.435 -2.534 -0.741) 2.676 11.298 ( 0.851 -12.629 4.000) 13.274 11.478 ( 1.959 -5.978 -2.320) 6.705 12.586 ( 3.781 6.746 7.613) 10.852 12.980 ( 2.609 -0.383 -6.255) 6.788 13.492 ( -2.324 -0.610 -5.620) 6.112 13.958 ( -0.969 -8.194 0.032) 8.251 15.057 ( 2.500 -2.991 17.209) 17.645 15.980 ( -11.113 9.915 -6.056) 16.077 17.588 ( 3.836 5.979 -1.902) 7.354 18.064 ( 0.030 5.959 0.268) 5.965 ======================= Grid point 496 (247/320) ======================= q-point: (-0.25 -0.67 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -6.539 -6.660 2.556) 9.677 3.215 ( 3.344 1.738 -2.796) 4.693 4.090 ( -1.052 -7.499 7.421) 10.602 4.368 ( 1.295 -4.297 0.840) 4.566 4.591 ( -3.554 -2.606 16.409) 16.990 4.762 ( -2.455 -5.756 9.935) 11.742 5.044 ( 4.642 0.193 0.998) 4.752 5.343 ( -7.055 2.462 -4.562) 8.755 5.654 ( 1.940 -8.831 -3.115) 9.563 6.008 ( -1.294 -4.265 -2.099) 4.926 6.091 ( 5.491 -6.531 -6.023) 10.444 6.345 ( 0.368 1.302 2.556) 2.892 6.907 ( -4.822 -4.780 3.886) 7.824 7.233 ( -4.107 1.279 -0.814) 4.378 7.580 ( 1.695 -11.022 -6.073) 12.698 7.744 ( 1.393 -1.653 1.084) 2.418 7.942 ( 2.672 1.706 -7.447) 8.094 8.427 ( 0.439 10.656 -5.843) 12.161 8.608 ( 3.199 -9.508 -1.110) 10.093 9.020 ( 1.407 -1.447 -0.504) 2.080 9.674 ( -5.183 -0.668 12.301) 13.366 10.150 ( 0.295 13.495 3.215) 13.876 10.935 ( 2.332 -4.832 -1.395) 5.544 11.421 ( -0.055 -1.356 4.036) 4.259 11.638 ( -1.171 -9.487 -3.326) 10.121 12.460 ( 3.742 11.445 3.140) 12.444 13.005 ( 0.827 -2.906 -4.416) 5.351 13.491 ( 0.295 -1.433 -2.905) 3.252 14.091 ( -0.703 -4.886 0.121) 4.938 15.153 ( -1.361 -0.681 19.762) 19.820 15.772 ( -5.574 1.565 -9.222) 10.889 17.516 ( 2.175 3.749 0.186) 4.338 17.956 ( -0.530 5.067 -0.056) 5.095 ======================= Grid point 497 (248/320) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -5.726 -0.192 4.297) 7.161 3.174 ( 2.562 4.229 -3.486) 6.050 4.187 ( 4.437 3.611 6.742) 8.842 4.318 ( -3.856 8.715 0.833) 9.566 4.509 ( -3.921 3.649 14.636) 15.585 4.883 ( -1.477 2.565 1.681) 3.404 5.073 ( -1.075 -4.158 8.210) 9.266 5.295 ( -4.859 -3.851 -2.778) 6.794 5.860 ( 7.427 -7.847 -2.482) 11.086 6.010 ( -1.725 -0.709 -1.610) 2.464 6.229 ( 4.838 -4.478 -6.113) 8.990 6.439 ( 0.010 -8.183 2.225) 8.480 6.904 ( -3.409 1.101 -0.590) 3.630 7.166 ( -3.987 3.445 4.530) 6.949 7.489 ( 2.235 7.821 -2.409) 8.483 7.828 ( 0.445 -0.444 -3.867) 3.918 8.133 ( 0.028 -15.256 -3.036) 15.555 8.229 ( 2.617 7.603 -7.483) 10.984 8.809 ( 1.057 -5.303 -1.462) 5.602 8.962 ( 2.835 5.166 -3.843) 7.035 9.661 ( -5.332 1.145 11.625) 12.841 9.963 ( -0.863 5.793 4.217) 7.217 11.040 ( 2.535 -4.051 -1.315) 4.956 11.424 ( -0.327 1.329 1.975) 2.403 11.753 ( -3.553 -5.118 -0.943) 6.302 12.243 ( 2.454 13.590 -2.449) 14.025 13.088 ( 0.024 -6.215 -2.023) 6.536 13.527 ( 3.425 -1.147 -1.234) 3.817 14.090 ( -1.322 4.181 1.405) 4.604 15.153 ( -7.038 1.829 16.725) 18.237 15.811 ( 2.201 -8.871 -9.542) 13.213 17.485 ( 0.060 1.107 3.140) 3.330 17.884 ( 0.073 1.920 -0.335) 1.951 ======================= Grid point 498 (249/320) ======================= q-point: (-0.08 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -4.618 8.248 5.895) 11.141 3.088 ( 2.710 5.942 -2.425) 6.967 3.978 ( -2.542 16.266 -0.063) 16.464 4.109 ( 6.798 17.514 11.498) 22.026 4.448 ( 0.826 5.822 -3.441) 6.813 4.820 ( -3.928 -1.213 7.602) 8.642 5.124 ( -7.022 -0.615 8.092) 10.731 5.386 ( -2.470 -8.195 2.123) 8.819 5.879 ( -2.151 4.293 2.020) 5.209 6.153 ( 6.208 -8.610 -1.968) 10.796 6.313 ( 1.324 -3.092 -8.410) 9.058 6.498 ( 2.770 4.635 6.227) 8.243 6.879 ( -8.058 1.500 -2.015) 8.441 7.036 ( 1.520 4.783 0.797) 5.081 7.452 ( -0.315 -5.072 -2.124) 5.507 7.877 ( 4.264 -2.370 -6.012) 7.742 8.060 ( 1.053 7.258 -8.804) 11.458 8.311 ( -0.855 -0.581 2.244) 2.470 8.651 ( 3.887 16.316 -4.320) 17.320 9.033 ( -1.225 -7.460 -2.650) 8.010 9.630 ( -4.341 0.614 12.746) 13.479 9.982 ( -0.481 -6.998 3.832) 7.993 11.097 ( -0.211 -0.754 -0.827) 1.139 11.382 ( -0.640 2.616 -0.842) 2.821 11.731 ( -3.813 6.177 2.385) 7.641 12.043 ( 2.960 7.024 -4.221) 8.713 13.199 ( -2.218 -6.353 -2.632) 7.226 13.563 ( 5.550 1.113 -1.694) 5.908 13.969 ( -0.563 6.987 4.243) 8.194 15.078 ( -10.249 2.871 12.065) 16.089 16.036 ( 7.204 -13.160 -10.541) 18.336 17.483 ( -3.509 -0.828 6.189) 7.163 17.894 ( 2.101 -2.033 -0.108) 2.926 ======================= Grid point 504 (250/320) ======================= q-point: ( 0.42 0.42 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 5.140 -0.000 -8.054) 9.555 3.055 ( 8.367 -0.000 -5.737) 10.145 3.271 ( 1.287 -0.000 -3.566) 3.791 3.614 ( -12.062 0.000 -0.397) 12.069 4.034 ( 10.204 -0.000 1.946) 10.388 4.431 ( 0.068 -0.000 -2.581) 2.582 4.813 ( -2.740 0.000 8.273) 8.714 4.960 ( -2.544 0.000 2.766) 3.758 5.030 ( -0.295 0.000 0.413) 0.508 5.559 ( -7.835 0.000 -3.350) 8.521 5.697 ( -8.916 0.000 -1.757) 9.088 6.022 ( 3.519 -0.000 5.561) 6.581 6.428 ( -5.593 0.000 5.228) 7.656 6.667 ( -4.564 0.000 -2.824) 5.367 7.023 ( 2.203 -0.000 1.560) 2.700 7.246 ( 3.030 -0.000 -7.058) 7.680 7.467 ( -3.590 0.000 -5.323) 6.420 8.134 ( -2.529 0.000 15.603) 15.807 8.763 ( 5.267 -0.000 -8.061) 9.629 9.548 ( 0.262 -0.000 6.669) 6.674 9.886 ( 1.514 -0.000 0.436) 1.575 9.903 ( 2.679 -0.000 0.827) 2.803 10.977 ( 1.128 -0.000 0.549) 1.255 11.224 ( -1.135 0.000 0.364) 1.192 11.484 ( -1.416 0.000 0.468) 1.491 12.204 ( 12.003 -0.000 11.841) 16.860 13.017 ( 0.789 -0.000 -5.220) 5.279 13.691 ( 0.681 -0.000 -0.628) 0.927 13.746 ( -6.615 0.000 -4.929) 8.249 14.810 ( 2.684 -0.000 11.118) 11.437 16.749 ( -15.660 0.000 -2.881) 15.923 17.839 ( 11.164 -0.000 -4.741) 12.128 18.324 ( 1.736 -0.000 3.392) 3.810 ======================= Grid point 505 (251/320) ======================= q-point: (-0.50 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -0.424 11.796 -5.422) 12.989 3.131 ( 2.643 -3.770 -1.741) 4.922 3.291 ( 0.191 -2.854 -2.428) 3.752 3.562 ( -4.819 -4.151 -3.542) 7.280 3.991 ( 2.909 7.711 4.316) 9.303 4.631 ( 2.720 -16.629 -4.173) 17.359 4.795 ( -5.475 0.039 7.876) 9.592 5.050 ( 0.252 -3.011 3.376) 4.531 5.169 ( 0.691 -16.908 1.107) 16.959 5.465 ( -7.772 1.246 -0.709) 7.903 5.636 ( -7.959 -1.951 -0.702) 8.225 6.102 ( 2.124 -4.185 3.410) 5.801 6.573 ( -1.270 -3.913 -1.009) 4.236 6.668 ( -2.206 -11.502 2.632) 12.003 7.099 ( 0.868 -5.715 -2.574) 6.328 7.269 ( 2.157 -3.073 -2.564) 4.546 7.496 ( -0.779 -8.180 -4.732) 9.482 8.180 ( -2.030 -2.989 10.189) 10.811 8.734 ( 5.875 5.237 -7.031) 10.553 9.508 ( 0.309 5.902 4.930) 7.697 9.826 ( -1.680 5.162 4.293) 6.921 10.102 ( 2.944 -16.173 0.441) 16.445 10.945 ( 0.985 4.308 0.713) 4.476 11.195 ( -1.186 4.750 -0.132) 4.897 11.362 ( 0.548 7.202 0.555) 7.244 12.422 ( 8.810 -8.472 11.539) 16.809 13.007 ( 1.778 0.641 -5.891) 6.187 13.625 ( -2.836 3.525 -3.630) 5.800 13.736 ( -3.386 -2.427 -2.706) 4.968 14.871 ( 3.404 -0.890 11.614) 12.135 16.582 ( -16.565 3.973 -0.305) 17.037 17.871 ( 7.631 2.983 -4.869) 9.530 18.328 ( 4.044 2.771 1.139) 5.033 ======================= Grid point 506 (252/320) ======================= q-point: (-0.42 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -6.087 3.749 -0.561) 7.170 3.187 ( -0.120 -1.815 -0.809) 1.991 3.404 ( -11.564 -13.061 3.424) 17.778 3.700 ( 13.668 -8.547 -5.522) 17.040 3.930 ( -0.366 -0.319 5.026) 5.049 4.761 ( -0.117 1.325 8.995) 9.093 5.020 ( -1.470 -17.172 -2.939) 17.483 5.123 ( -0.810 -9.340 2.231) 9.636 5.350 ( -7.929 -3.461 -1.052) 8.715 5.476 ( -1.172 -3.420 3.224) 4.843 5.720 ( -3.250 -12.668 -0.763) 13.100 6.215 ( -3.242 -8.165 -0.223) 8.788 6.563 ( 0.838 -0.639 -0.979) 1.438 6.842 ( 0.578 -1.883 4.007) 4.465 7.171 ( -3.947 -4.020 -6.682) 8.740 7.446 ( 7.876 -10.190 2.319) 13.086 7.816 ( 1.604 -25.984 -3.550) 26.274 8.254 ( -0.008 -3.996 -0.058) 3.996 8.630 ( 4.625 8.565 -3.868) 10.474 9.344 ( 0.074 12.966 1.213) 13.023 9.731 ( -4.030 3.926 10.725) 12.111 10.505 ( 2.107 -23.003 1.660) 23.159 10.840 ( 0.580 7.755 0.953) 7.835 11.010 ( 1.087 10.461 -0.333) 10.522 11.343 ( 1.331 -2.019 -1.203) 2.701 12.639 ( 5.740 -4.477 10.545) 12.814 12.994 ( 2.766 0.665 -6.787) 7.359 13.530 ( -2.748 2.860 -4.931) 6.328 13.753 ( -2.874 -2.909 -1.527) 4.365 14.958 ( 3.752 -2.010 12.108) 12.834 16.345 ( -16.643 7.627 1.241) 18.349 17.826 ( 4.815 5.347 -4.905) 8.708 18.285 ( 4.242 5.445 -0.134) 6.904 ======================= Grid point 507 (253/320) ======================= q-point: (-0.33 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -8.582 -7.148 2.811) 11.517 3.219 ( 1.992 -1.242 -1.314) 2.691 3.579 ( -18.142 -16.988 4.131) 25.195 4.022 ( 8.105 -9.968 -0.267) 12.850 4.057 ( 11.730 -12.782 4.461) 17.913 4.762 ( -2.880 0.051 7.474) 8.010 5.093 ( 0.270 0.494 6.154) 6.179 5.342 ( -8.232 -3.755 -1.350) 9.149 5.420 ( -1.252 -7.226 1.017) 7.404 5.621 ( 2.044 -18.107 -4.233) 18.707 5.868 ( 0.410 -3.294 0.998) 3.467 6.359 ( -6.610 -9.768 -1.440) 11.882 6.631 ( -2.970 -5.780 7.295) 9.770 6.887 ( 5.817 -4.270 -3.759) 8.136 7.179 ( -5.916 -3.132 -4.920) 8.307 7.721 ( 9.913 -10.625 1.333) 14.592 8.155 ( 3.963 0.319 -10.488) 11.216 8.408 ( -1.503 -9.812 0.800) 9.958 8.529 ( 2.878 -5.487 -2.788) 6.795 9.055 ( 0.263 17.027 0.529) 17.037 9.678 ( -4.699 1.726 13.487) 14.386 10.656 ( -0.372 11.224 1.216) 11.296 10.830 ( -1.724 -2.532 1.747) 3.526 11.025 ( 6.729 -15.191 -0.207) 16.616 11.406 ( 1.327 -3.693 -2.321) 4.560 12.720 ( 4.107 2.186 7.481) 8.810 12.989 ( 2.429 0.462 -7.149) 7.564 13.463 ( -1.308 0.801 -4.921) 5.155 13.811 ( -1.744 -5.988 -0.104) 6.237 15.067 ( 3.583 -3.019 13.003) 13.822 16.055 ( -15.953 9.894 1.229) 18.812 17.732 ( 3.522 6.491 -4.487) 8.641 18.192 ( 2.393 7.021 -0.198) 7.420 ======================= Grid point 508 (254/320) ======================= q-point: (-0.25 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -7.177 -10.454 4.374) 13.414 3.249 ( 2.926 -0.174 -2.687) 3.976 3.785 ( -15.059 -17.668 4.751) 23.696 4.242 ( 0.921 -10.628 2.820) 11.034 4.452 ( 11.154 -13.182 5.654) 18.169 4.736 ( -5.762 0.489 6.187) 8.469 5.106 ( 3.822 1.027 4.886) 6.288 5.321 ( -6.543 -0.165 -0.845) 6.600 5.520 ( 1.408 -6.195 0.519) 6.374 5.898 ( -0.223 -6.768 0.568) 6.795 5.983 ( 7.824 -8.702 -5.300) 12.846 6.396 ( -3.089 0.953 3.144) 4.509 6.750 ( -6.171 -7.926 7.764) 12.695 7.113 ( -1.194 -10.913 -4.002) 11.685 7.215 ( -0.397 -12.358 -6.092) 13.784 7.918 ( 4.959 2.115 -1.255) 5.536 8.008 ( 4.155 7.964 -7.678) 11.817 8.444 ( 2.955 -4.459 -5.808) 7.896 8.671 ( -5.809 9.217 0.423) 10.903 8.914 ( 5.402 -7.915 -0.216) 9.585 9.662 ( -4.466 0.147 13.455) 14.178 10.416 ( -1.248 13.735 1.070) 13.833 10.876 ( 3.042 -3.382 -0.066) 4.549 11.333 ( 1.430 -10.300 2.721) 10.749 11.485 ( 0.922 -5.246 -3.530) 6.390 12.676 ( 3.828 7.478 3.459) 9.085 12.968 ( -0.119 0.070 -7.391) 7.392 13.463 ( 1.769 -1.508 -2.306) 3.274 13.949 ( 0.053 -8.842 0.165) 8.844 15.185 ( 2.471 -2.424 16.039) 16.408 15.762 ( -13.864 7.631 -2.189) 15.976 17.629 ( 3.134 5.905 -2.999) 7.327 18.067 ( 0.109 7.123 0.183) 7.126 ======================= Grid point 509 (255/320) ======================= q-point: (-0.17 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -4.007 -7.081 5.633) 9.896 3.246 ( 2.506 2.049 -3.779) 4.976 4.018 ( -10.704 -15.857 4.701) 19.701 4.380 ( 0.535 -1.038 -3.324) 3.523 4.563 ( -11.017 0.551 15.850) 19.311 4.837 ( 5.576 -6.836 4.786) 10.037 5.112 ( 1.110 3.149 0.926) 3.465 5.264 ( 0.559 1.873 3.594) 4.091 5.716 ( 6.195 -11.728 -0.961) 13.298 5.998 ( 1.154 -2.167 -1.504) 2.879 6.140 ( 4.974 -5.455 -5.995) 9.510 6.374 ( 1.593 0.165 2.654) 3.099 6.830 ( -7.323 -4.056 3.025) 8.901 7.149 ( -5.878 -2.490 0.962) 6.456 7.581 ( 2.024 -11.562 -4.042) 12.415 7.778 ( 2.041 1.495 1.255) 2.824 7.947 ( 3.678 2.420 -9.735) 10.684 8.399 ( -1.010 10.310 -2.530) 10.664 8.645 ( 3.012 -9.990 -4.147) 11.228 9.040 ( 1.758 -0.574 -1.257) 2.236 9.663 ( -4.468 0.070 12.560) 13.331 10.149 ( -1.920 12.953 1.339) 13.163 10.987 ( 4.582 -4.422 -0.775) 6.415 11.429 ( -1.137 -1.086 2.542) 2.989 11.608 ( -0.382 -7.450 -2.048) 7.736 12.506 ( 1.314 12.834 -1.611) 13.001 12.982 ( -0.195 -3.774 -4.831) 6.134 13.522 ( 4.103 -2.280 0.106) 4.695 14.091 ( 0.922 -4.331 0.259) 4.435 15.226 ( -3.351 4.524 21.275) 22.007 15.627 ( -6.118 -5.450 -9.675) 12.678 17.553 ( 2.531 4.127 -0.363) 4.855 17.945 ( -1.055 5.121 0.207) 5.233 ======================= Grid point 510 (256/320) ======================= q-point: (-0.08 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -1.174 0.099 6.773) 6.874 3.194 ( 2.208 4.132 -3.579) 5.896 4.154 ( -6.622 -0.229 -1.750) 6.853 4.293 ( -2.719 3.007 0.567) 4.094 4.531 ( -4.193 2.056 16.033) 16.699 4.868 ( -1.741 6.114 1.853) 6.621 5.072 ( -4.183 -0.873 8.676) 9.671 5.306 ( 6.222 -1.740 2.611) 6.969 5.967 ( 3.081 2.851 -1.834) 4.581 6.008 ( 6.115 -10.107 -1.885) 11.962 6.244 ( 1.382 -4.108 -7.199) 8.403 6.450 ( 0.361 -6.370 1.525) 6.560 6.804 ( -7.620 0.001 -1.941) 7.863 7.148 ( -1.736 0.676 5.502) 5.809 7.503 ( 0.989 8.946 -2.498) 9.340 7.827 ( 1.885 -2.385 -3.018) 4.284 8.130 ( 2.277 -10.092 -5.564) 11.747 8.235 ( 1.858 4.323 -3.243) 5.714 8.815 ( 1.078 -4.505 -2.739) 5.382 8.972 ( 1.100 5.520 -4.320) 7.095 9.647 ( -4.477 1.254 12.462) 13.301 9.962 ( -1.716 4.573 2.934) 5.698 11.074 ( 2.194 -1.846 -0.924) 3.013 11.415 ( -1.420 1.523 0.624) 2.174 11.726 ( -0.187 -4.614 1.597) 4.886 12.244 ( -0.128 13.427 -3.554) 13.890 13.061 ( -0.975 -5.605 -4.007) 6.959 13.597 ( 4.929 -1.590 0.193) 5.183 14.099 ( 1.053 4.323 2.682) 5.195 15.120 ( -8.082 5.692 16.169) 18.951 15.783 ( 0.925 -13.796 -9.595) 16.830 17.506 ( 0.261 2.746 2.947) 4.037 17.884 ( 0.114 0.489 -0.285) 0.577 ======================= Grid point 517 (257/320) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -6.130 0.000 -5.526) 8.253 3.028 ( -14.410 0.000 1.159) 14.457 3.250 ( -2.728 0.000 -1.665) 3.195 3.525 ( 11.182 -0.000 -7.152) 13.273 4.159 ( -0.080 0.000 3.609) 3.610 4.449 ( 3.210 -0.000 -3.227) 4.551 4.804 ( -2.741 0.000 6.907) 7.431 4.943 ( -1.531 0.000 3.364) 3.696 5.046 ( 1.681 -0.000 1.334) 2.146 5.402 ( -11.604 0.000 0.357) 11.610 5.575 ( -5.799 0.000 1.247) 5.931 6.109 ( 3.808 -0.000 6.281) 7.345 6.413 ( 1.417 -0.000 2.596) 2.958 6.640 ( 3.357 -0.000 -4.893) 5.934 7.048 ( 0.158 -0.000 0.415) 0.444 7.243 ( 1.245 -0.000 -6.309) 6.431 7.413 ( -0.058 0.000 -4.147) 4.148 8.162 ( -3.254 0.000 12.915) 13.319 8.810 ( 5.987 -0.000 -7.812) 9.843 9.584 ( 0.320 -0.000 5.056) 5.066 9.892 ( -0.769 0.000 -0.462) 0.897 9.940 ( 1.106 -0.000 1.482) 1.849 10.988 ( -0.327 0.000 0.655) 0.732 11.218 ( 0.469 -0.000 0.070) 0.474 11.476 ( 0.068 -0.000 0.396) 0.402 12.418 ( 7.697 -0.000 11.187) 13.579 13.011 ( 1.617 -0.000 -6.335) 6.538 13.616 ( -6.028 0.000 -5.047) 7.862 13.693 ( -0.011 0.000 -0.597) 0.597 14.919 ( 3.412 -0.000 10.662) 11.195 16.489 ( -17.690 0.000 3.473) 18.028 17.928 ( 3.275 -0.000 -4.367) 5.458 18.405 ( 8.318 -0.000 -1.734) 8.497 ======================= Grid point 518 (258/320) ======================= q-point: (-0.42 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -12.001 11.125 -0.503) 16.372 2.980 ( -21.118 -9.148 2.817) 23.186 3.238 ( -1.343 -0.835 -1.731) 2.345 3.680 ( 19.331 -5.336 -6.775) 21.168 4.026 ( -3.728 7.635 3.696) 9.266 4.616 ( -0.519 -14.945 -4.080) 15.501 4.813 ( 1.856 -0.628 8.429) 8.654 5.035 ( -4.556 -4.530 3.051) 7.113 5.200 ( 0.477 -11.912 2.744) 12.233 5.325 ( -9.219 -5.165 1.353) 10.654 5.539 ( -4.182 -0.469 1.129) 4.357 6.166 ( 3.464 -0.471 6.548) 7.422 6.589 ( 3.962 -1.853 -2.726) 5.154 6.687 ( 2.448 -12.113 1.939) 12.509 7.080 ( 0.129 -2.397 -6.351) 6.790 7.296 ( 2.360 -8.035 -1.150) 8.453 7.489 ( 2.775 -9.415 -4.221) 10.685 8.190 ( -2.673 -2.186 8.479) 9.155 8.787 ( 5.646 5.113 -7.406) 10.625 9.535 ( 0.219 6.554 3.184) 7.289 9.811 ( -3.174 4.851 4.441) 7.303 10.137 ( 1.424 -16.864 -0.585) 16.934 10.948 ( -1.089 3.865 0.663) 4.069 11.202 ( 2.302 4.603 -0.318) 5.156 11.373 ( 0.677 6.829 0.023) 6.862 12.589 ( 5.845 -7.610 8.768) 12.998 12.998 ( 0.640 0.299 -7.322) 7.356 13.543 ( -3.727 2.018 -3.383) 5.423 13.697 ( -1.175 -0.902 -0.567) 1.586 14.982 ( 3.232 -1.254 9.320) 9.943 16.328 ( -18.104 3.877 6.864) 19.746 17.907 ( 0.669 2.380 -4.390) 5.039 18.430 ( 9.425 4.349 -3.431) 10.932 ======================= Grid point 519 (259/320) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -15.033 1.434 4.339) 15.712 3.055 ( -20.341 -14.851 3.323) 25.403 3.252 ( -1.753 -2.703 -1.454) 3.534 3.940 ( 2.343 -3.270 -1.106) 4.172 3.981 ( 16.669 -8.445 -0.120) 18.686 4.758 ( -4.107 -0.990 5.887) 7.246 5.023 ( -0.181 -12.241 1.270) 12.308 5.122 ( -1.064 -11.567 2.605) 11.905 5.224 ( -6.447 -3.710 1.734) 7.638 5.480 ( -1.215 -2.231 4.655) 5.303 5.672 ( -1.311 -17.412 -1.776) 17.551 6.209 ( 1.626 -0.923 5.979) 6.265 6.589 ( 1.750 0.147 0.633) 1.866 6.880 ( 1.969 -3.186 2.062) 4.276 7.088 ( -2.024 -1.701 -7.175) 7.646 7.578 ( 7.794 -13.732 -0.851) 15.813 7.836 ( 3.880 -24.924 -4.523) 25.627 8.238 ( -1.803 -3.855 0.175) 4.259 8.669 ( 3.527 9.325 -5.683) 11.476 9.353 ( 0.460 13.453 0.445) 13.468 9.723 ( -4.231 3.208 10.845) 12.075 10.534 ( 0.994 -22.441 -0.385) 22.467 10.826 ( -2.106 7.955 0.439) 8.241 11.074 ( 6.836 8.414 -0.927) 10.881 11.347 ( 0.299 -2.144 -1.973) 2.929 12.766 ( 5.173 -3.517 5.744) 8.492 12.974 ( -1.162 -0.336 -9.384) 9.462 13.476 ( -0.664 2.215 -1.581) 2.801 13.717 ( -1.392 -2.780 0.699) 3.186 15.065 ( 2.832 -2.715 7.537) 8.497 16.102 ( -17.921 7.564 9.698) 21.736 17.837 ( 0.380 4.097 -4.870) 6.375 18.368 ( 6.958 8.082 -3.037) 11.089 ======================= Grid point 520 (260/320) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -10.961 -10.778 5.994) 16.500 3.191 ( -10.183 -9.812 -0.159) 14.142 3.338 ( -8.865 -12.492 1.714) 15.413 4.048 ( -2.202 -9.497 2.962) 10.189 4.335 ( 16.761 -11.797 -1.441) 20.547 4.722 ( -4.416 1.294 3.307) 5.666 5.114 ( -2.598 -2.892 4.903) 6.257 5.222 ( -6.375 -4.561 4.150) 8.869 5.432 ( 0.818 -6.410 2.590) 6.962 5.645 ( 2.994 -17.026 -1.234) 17.331 5.931 ( 6.193 -8.414 0.912) 10.487 6.285 ( -2.935 -5.913 5.558) 8.629 6.628 ( -2.449 -3.248 7.278) 8.337 6.953 ( 4.986 -4.518 -3.888) 7.771 7.086 ( -2.063 -2.133 -5.230) 6.014 7.861 ( 7.058 -9.726 -0.918) 12.052 8.139 ( 2.064 -1.415 -12.407) 12.657 8.372 ( -3.430 -6.818 -0.052) 7.632 8.548 ( 2.057 -3.949 -4.081) 6.040 9.083 ( 2.671 14.864 0.909) 15.129 9.680 ( -4.149 1.457 13.346) 14.052 10.629 ( -2.840 10.602 -0.118) 10.976 10.832 ( 0.250 -6.126 1.929) 6.427 11.142 ( 9.099 -10.339 -2.362) 13.974 11.400 ( 0.042 -3.760 -3.655) 5.244 12.817 ( 4.868 3.277 2.398) 6.340 12.938 ( -3.132 -0.448 -11.232) 11.669 13.459 ( 2.559 -0.073 -0.093) 2.562 13.803 ( 0.529 -6.684 1.922) 6.975 15.168 ( 2.313 -4.305 5.750) 7.546 15.827 ( -16.893 10.095 11.414) 22.750 17.744 ( 1.430 5.009 -4.694) 7.012 18.232 ( 2.763 9.522 -1.281) 9.998 ======================= Grid point 521 (261/320) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -3.971 -13.178 6.054) 15.036 3.246 ( -2.336 -2.591 -3.624) 5.030 3.578 ( -13.048 -19.793 3.992) 24.041 4.238 ( -4.315 -11.328 3.993) 12.763 4.512 ( -6.102 0.053 1.673) 6.327 4.785 ( 10.271 -6.612 1.163) 12.271 5.139 ( -2.523 -0.548 3.670) 4.487 5.280 ( -0.479 -3.197 4.072) 5.200 5.564 ( 3.233 -7.843 2.391) 8.814 5.916 ( 1.286 -8.889 1.647) 9.131 6.112 ( 11.208 -2.727 -1.808) 11.676 6.377 ( -2.064 -4.009 4.874) 6.640 6.695 ( -5.898 -4.653 7.139) 10.363 7.043 ( -3.339 -2.931 -3.160) 5.452 7.248 ( 6.518 -17.407 -3.943) 19.001 7.965 ( 2.116 7.856 -2.387) 8.479 8.003 ( 1.427 4.431 -10.212) 11.223 8.448 ( 1.400 -8.392 -6.204) 10.530 8.583 ( -5.380 6.348 -0.047) 8.321 9.001 ( 5.877 -2.705 -0.228) 6.474 9.670 ( -3.694 0.389 13.426) 13.930 10.382 ( -2.930 13.207 -0.671) 13.545 10.935 ( 3.650 -4.739 1.003) 6.065 11.371 ( 1.900 -5.891 1.371) 6.340 11.475 ( 1.230 -6.096 -5.106) 8.046 12.715 ( -0.279 9.237 -4.720) 10.377 12.919 ( 0.418 -1.721 -5.669) 5.940 13.511 ( 3.839 -2.226 0.897) 4.528 13.974 ( 3.272 -8.694 0.374) 9.297 15.292 ( 2.417 -4.765 7.532) 9.235 15.545 ( -14.935 8.523 8.468) 19.168 17.656 ( 2.488 4.781 -3.225) 6.280 18.065 ( -0.848 8.537 0.355) 8.586 ======================= Grid point 522 (262/320) ======================= q-point: (-0.08 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 1.573 -8.203 6.140) 10.367 3.242 ( -0.522 0.678 -4.298) 4.382 3.848 ( -12.734 -17.744 1.839) 21.917 4.367 ( 0.534 0.527 -3.033) 3.125 4.437 ( -14.077 -4.755 14.230) 20.573 4.942 ( 5.035 -0.614 2.159) 5.513 5.105 ( -2.338 3.029 5.428) 6.641 5.355 ( 4.954 -1.957 3.266) 6.248 5.810 ( 5.879 -13.140 0.398) 14.400 6.024 ( 2.709 -1.117 -0.989) 3.092 6.190 ( 4.993 -0.856 -4.098) 6.516 6.429 ( 4.069 0.334 2.851) 4.980 6.716 ( -8.521 -2.188 1.120) 8.868 7.079 ( -3.881 -4.986 1.821) 6.576 7.599 ( 1.951 -6.221 -1.325) 6.653 7.815 ( 1.850 0.667 0.851) 2.143 7.953 ( 4.690 -1.255 -12.564) 13.469 8.373 ( -1.477 8.288 0.618) 8.441 8.652 ( 1.137 -10.415 -5.641) 11.899 9.058 ( 1.585 1.805 -2.222) 3.272 9.669 ( -3.656 0.702 13.176) 13.692 10.111 ( -3.086 11.992 -0.604) 12.397 11.051 ( 3.468 -3.334 -0.041) 4.810 11.415 ( -1.598 -0.434 0.446) 1.715 11.615 ( 2.434 -7.405 -0.619) 7.819 12.475 ( -2.784 12.824 -6.180) 14.505 12.968 ( 1.629 -3.405 -3.494) 5.144 13.589 ( 3.050 -2.620 1.254) 4.212 14.126 ( 3.538 -3.552 -0.677) 5.059 15.258 ( -7.723 9.901 21.395) 24.807 15.513 ( -0.953 -11.799 -8.397) 14.513 17.586 ( 1.826 4.207 -0.324) 4.597 17.925 ( -1.798 4.733 0.526) 5.091 ======================= Grid point 530 (263/320) ======================= q-point: (-0.42 -0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -14.988 0.000 -0.056) 14.988 2.709 ( -24.867 0.000 5.925) 25.563 3.223 ( -0.162 0.000 -1.575) 1.583 3.771 ( 21.251 -0.000 -6.730) 22.291 4.031 ( -18.420 0.000 4.328) 18.921 4.474 ( 2.751 -0.000 -4.765) 5.503 4.829 ( 1.623 -0.000 7.295) 7.473 4.952 ( 0.319 -0.000 3.832) 3.845 5.086 ( 1.971 -0.000 0.500) 2.033 5.222 ( -12.376 0.000 5.056) 13.369 5.528 ( -2.532 0.000 4.049) 4.775 6.221 ( 6.469 -0.000 6.746) 9.347 6.498 ( 7.454 -0.000 2.347) 7.815 6.694 ( 7.159 -0.000 -8.085) 10.799 7.038 ( -0.706 0.000 -1.400) 1.568 7.223 ( -0.027 0.000 -4.780) 4.780 7.413 ( 2.046 -0.000 -3.190) 3.790 8.182 ( -1.749 0.000 10.589) 10.732 8.860 ( 5.638 -0.000 -8.032) 9.813 9.606 ( -0.280 0.000 2.536) 2.552 9.859 ( -3.173 0.000 -0.178) 3.178 9.949 ( -0.831 0.000 0.776) 1.137 10.974 ( -1.637 0.000 0.646) 1.760 11.238 ( 1.844 -0.000 -0.124) 1.849 11.490 ( 1.612 -0.000 0.200) 1.624 12.555 ( 4.054 -0.000 3.750) 5.522 12.977 ( -1.721 0.000 -7.048) 7.255 13.532 ( -2.088 0.000 0.538) 2.156 13.685 ( -0.665 0.000 -0.392) 0.771 15.012 ( 2.431 -0.000 6.229) 6.687 16.247 ( -18.573 0.000 12.173) 22.207 17.911 ( -1.815 0.000 -3.954) 4.351 18.547 ( 11.985 -0.000 -6.328) 13.553 ======================= Grid point 531 (264/320) ======================= q-point: (-0.33 -0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -19.566 11.036 5.500) 23.127 2.637 ( -24.001 -10.111 6.456) 26.832 3.226 ( 0.145 -0.551 -1.582) 1.682 3.866 ( -14.570 -1.800 0.427) 14.687 3.990 ( 18.694 -4.837 -2.684) 19.495 4.605 ( 1.309 -11.053 -2.204) 11.347 4.897 ( 1.267 -3.054 5.941) 6.799 4.968 ( -4.245 -2.920 3.733) 6.362 5.146 ( -6.538 -0.735 5.752) 8.739 5.297 ( 2.744 -16.333 2.505) 16.750 5.513 ( -1.158 0.493 3.452) 3.674 6.289 ( 7.355 1.265 7.483) 10.569 6.642 ( 4.094 1.694 -2.961) 5.329 6.747 ( 3.956 -10.089 1.059) 10.889 7.047 ( 0.498 -0.559 -7.131) 7.170 7.331 ( 3.380 -13.129 -2.117) 13.722 7.524 ( 3.850 -11.370 -4.054) 12.670 8.197 ( -1.423 -0.081 7.004) 7.148 8.825 ( 4.549 5.682 -8.382) 11.101 9.545 ( -0.404 6.659 0.935) 6.737 9.780 ( -4.005 3.559 5.560) 7.721 10.136 ( -0.539 -18.163 -2.608) 18.357 10.926 ( -1.815 4.051 0.434) 4.460 11.249 ( 3.287 1.517 -0.499) 3.654 11.388 ( 1.685 8.939 -0.665) 9.121 12.672 ( 0.816 -8.657 -4.684) 9.877 12.938 ( -2.431 0.602 -4.901) 5.503 13.520 ( 1.260 1.689 4.168) 4.671 13.682 ( -0.794 -0.660 0.702) 1.248 15.054 ( 1.464 -1.569 2.617) 3.385 16.105 ( -18.356 3.932 17.188) 25.452 17.869 ( -2.032 1.582 -4.254) 4.973 18.563 ( 10.656 6.112 -7.016) 14.147 ======================= Grid point 532 (265/320) ======================= q-point: (-0.25 -0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -17.516 -2.923 8.404) 19.647 2.734 ( -21.999 -17.126 6.021) 28.522 3.240 ( -0.463 -1.980 -1.514) 2.535 3.855 ( -11.341 -7.807 2.518) 13.996 4.264 ( 17.430 -8.896 -5.286) 20.270 4.728 ( -1.634 0.027 2.028) 2.605 4.975 ( -6.186 -8.345 5.981) 11.987 5.086 ( -5.334 -6.614 4.699) 9.710 5.249 ( 5.600 -12.898 3.770) 14.558 5.491 ( -0.468 -2.512 5.846) 6.380 5.688 ( 4.472 -16.516 -0.458) 17.117 6.331 ( 8.234 2.662 9.162) 12.603 6.609 ( 0.161 0.930 1.260) 1.574 6.915 ( 1.375 -4.531 -0.299) 4.745 7.035 ( 0.571 -0.685 -7.163) 7.219 7.660 ( 3.390 -15.931 -1.568) 16.363 7.880 ( 4.779 -20.736 -7.144) 22.447 8.213 ( -1.195 -3.212 0.872) 3.536 8.677 ( 2.142 10.184 -7.971) 13.109 9.362 ( 0.687 12.371 -0.316) 12.394 9.717 ( -4.049 2.270 11.287) 12.204 10.535 ( 0.439 -21.976 -2.542) 22.127 10.795 ( -1.737 7.914 -0.205) 8.105 11.190 ( 8.637 5.965 -2.230) 10.731 11.332 ( -0.671 -2.032 -2.677) 3.427 12.782 ( -6.673 -6.772 -17.297) 19.738 12.912 ( 3.245 1.215 2.007) 4.004 13.507 ( 2.913 2.390 3.434) 5.097 13.727 ( 1.647 -3.540 4.586) 6.023 15.108 ( 0.286 -3.357 -1.519) 3.696 15.909 ( -17.007 7.621 21.738) 28.633 17.806 ( -0.663 2.666 -4.516) 5.286 18.451 ( 6.050 10.717 -5.070) 13.310 ======================= Grid point 533 (266/320) ======================= q-point: (-0.17 -0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -7.016 -16.367 7.063) 19.157 2.939 ( -18.578 -19.196 3.930) 27.001 3.299 ( -1.199 -5.695 -1.241) 5.951 3.971 ( -10.584 -11.840 5.125) 16.687 4.468 ( 2.092 -2.868 -7.154) 7.986 4.752 ( 8.536 -4.315 -0.209) 9.566 5.080 ( -4.582 -4.099 8.367) 10.382 5.183 ( -3.041 -6.827 5.756) 9.433 5.466 ( 1.071 -5.619 4.780) 7.455 5.704 ( 4.077 -14.383 3.253) 15.299 6.033 ( 6.135 -16.801 0.214) 17.887 6.350 ( 4.808 3.973 10.142) 11.907 6.628 ( -1.659 -1.898 4.722) 5.353 6.979 ( 1.653 -2.548 -4.054) 5.066 7.089 ( 5.793 -5.602 -4.609) 9.284 7.907 ( -0.747 -7.930 -1.136) 8.045 8.104 ( 2.666 -3.863 -13.655) 14.439 8.304 ( -4.736 -1.898 -1.278) 5.259 8.547 ( 1.004 -1.937 -6.005) 6.389 9.142 ( 4.101 10.971 1.052) 11.759 9.689 ( -3.886 0.996 13.210) 13.805 10.582 ( -2.595 10.673 -0.879) 11.019 10.847 ( 0.397 -8.449 1.206) 8.544 11.275 ( 9.726 -7.089 -4.295) 12.779 11.373 ( -0.218 -3.698 -4.572) 5.884 12.737 ( -9.482 -1.196 -17.440) 19.887 12.935 ( 6.182 1.662 0.855) 6.459 13.511 ( 2.401 -0.305 0.989) 2.614 13.865 ( 5.698 -6.618 4.231) 9.704 15.179 ( -0.882 -5.691 -5.683) 8.091 15.682 ( -13.604 10.273 25.474) 30.652 17.739 ( 1.301 3.426 -4.098) 5.498 18.252 ( 0.519 11.717 -1.696) 11.851 ======================= Grid point 534 (267/320) ======================= q-point: (-0.08 -0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 2.466 -16.474 4.921) 17.369 3.125 ( -10.528 -11.024 -0.817) 15.266 3.446 ( -6.669 -13.511 1.071) 15.105 4.131 ( -13.959 -12.724 10.333) 21.529 4.434 ( -0.717 1.886 -5.276) 5.649 4.940 ( 7.829 -5.457 -3.832) 10.283 5.118 ( -3.049 -0.798 9.561) 10.067 5.296 ( -0.092 -5.303 2.942) 6.065 5.642 ( 4.459 -10.454 4.156) 12.102 5.954 ( 1.755 -8.354 4.217) 9.521 6.282 ( 8.807 4.041 0.775) 9.721 6.389 ( 1.236 -9.951 4.253) 10.892 6.637 ( -5.678 -0.349 4.306) 7.135 7.016 ( 2.748 -0.141 -3.366) 4.347 7.354 ( 8.432 -16.830 -0.516) 18.831 7.940 ( -1.082 3.630 -10.294) 10.969 7.969 ( -0.528 7.004 -3.900) 8.034 8.413 ( -1.630 -10.675 -6.538) 12.624 8.511 ( -3.726 4.512 -0.992) 5.935 9.089 ( 5.545 0.970 -0.542) 5.655 9.683 ( -3.893 0.287 13.258) 13.821 10.327 ( -3.064 13.500 -1.682) 13.945 10.987 ( 2.094 -6.159 1.407) 6.656 11.381 ( -0.833 -1.921 -1.935) 2.851 11.504 ( 5.981 -7.164 -3.783) 10.071 12.594 ( -7.449 5.205 -13.923) 16.626 12.957 ( 5.102 0.408 0.343) 5.130 13.557 ( 1.056 -2.609 0.498) 2.859 14.052 ( 6.204 -6.847 -1.233) 9.322 15.273 ( -4.258 -6.980 -6.795) 10.631 15.478 ( -4.919 9.096 25.200) 27.239 17.677 ( 2.331 3.945 -2.630) 5.284 18.038 ( -3.139 9.241 0.887) 9.800 ======================= Grid point 543 (268/320) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -21.008 0.000 6.225) 21.910 2.381 ( -22.573 0.000 12.116) 25.620 3.218 ( 0.300 -0.000 -1.249) 1.285 3.651 ( -29.751 0.000 4.693) 30.119 4.088 ( 20.270 -0.000 -4.533) 20.771 4.500 ( 4.261 -0.000 -4.562) 6.243 4.916 ( 2.960 -0.000 5.317) 6.086 4.975 ( -3.090 0.000 3.694) 4.816 5.049 ( -1.545 0.000 2.308) 2.777 5.163 ( -0.205 0.000 7.532) 7.535 5.529 ( -1.201 0.000 6.785) 6.891 6.372 ( 8.004 -0.000 5.706) 9.829 6.644 ( 8.258 -0.000 2.925) 8.760 6.766 ( 8.004 -0.000 -8.910) 11.978 7.027 ( 1.075 -0.000 -2.432) 2.659 7.194 ( -0.068 0.000 -5.015) 5.015 7.427 ( 1.026 -0.000 -1.511) 1.827 8.226 ( 1.140 -0.000 8.023) 8.104 8.895 ( 4.454 -0.000 -8.952) 9.999 9.600 ( -1.402 0.000 0.108) 1.407 9.795 ( -5.067 0.000 0.298) 5.076 9.921 ( -2.953 0.000 0.017) 2.953 10.951 ( -1.530 0.000 0.586) 1.639 11.262 ( 1.136 -0.000 -0.273) 1.168 11.529 ( 3.264 -0.000 -0.098) 3.266 12.513 ( -7.867 0.000 -15.758) 17.613 12.930 ( 0.420 -0.000 0.575) 0.712 13.577 ( 4.289 -0.000 9.508) 10.431 13.670 ( -1.016 0.000 -0.115) 1.022 15.046 ( 0.181 -0.000 -1.491) 1.502 16.054 ( -18.011 0.000 23.183) 29.357 17.852 ( -2.564 0.000 -4.002) 4.753 18.692 ( 11.655 -0.000 -9.873) 15.275 ======================= Grid point 544 (269/320) ======================= q-point: (-0.25 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -22.783 9.923 10.689) 27.052 2.340 ( -20.172 -9.235 12.961) 25.694 3.208 ( -2.934 0.261 -0.801) 3.053 3.551 ( -23.660 -10.778 4.900) 26.457 4.257 ( 15.777 -3.817 -6.406) 17.451 4.642 ( 5.243 -9.631 -1.038) 11.015 4.867 ( -5.755 0.645 3.611) 6.824 4.946 ( -2.451 -2.936 3.902) 5.464 5.176 ( 3.583 -1.998 9.860) 10.679 5.389 ( 7.346 -17.690 3.454) 19.464 5.532 ( 0.628 -0.269 5.148) 5.193 6.450 ( 8.056 -0.036 5.080) 9.524 6.676 ( 1.210 4.643 0.891) 4.880 6.814 ( 4.362 -4.564 -0.792) 6.363 7.025 ( 1.640 0.067 -6.713) 6.911 7.378 ( 4.290 -15.193 -3.485) 16.167 7.551 ( 2.132 -13.954 -3.559) 14.558 8.224 ( 0.587 2.702 4.943) 5.664 8.835 ( 2.919 6.675 -10.083) 12.440 9.532 ( -1.226 5.994 -0.864) 6.179 9.751 ( -3.729 1.419 7.017) 8.072 10.095 ( -2.067 -20.557 -4.779) 21.206 10.902 ( -1.345 4.361 0.249) 4.570 11.278 ( 0.666 -1.080 -0.820) 1.511 11.427 ( 4.044 10.797 -1.655) 11.648 12.484 ( -14.267 -9.521 -21.681) 27.645 12.955 ( 4.253 -0.339 2.733) 5.067 13.597 ( 2.403 3.321 4.342) 5.972 13.706 ( 3.665 -2.660 7.304) 8.594 15.050 ( -0.809 -1.550 -4.774) 5.084 15.950 ( -16.694 3.681 27.518) 32.395 17.816 ( -1.538 0.841 -3.899) 4.275 18.671 ( 8.558 7.974 -9.629) 15.151 ======================= Grid point 545 (270/320) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -13.464 -10.035 10.085) 19.588 2.467 ( -17.646 -16.236 11.064) 26.408 3.188 ( -7.141 -3.476 0.029) 7.942 3.654 ( -14.462 -13.047 4.588) 20.010 4.400 ( 4.536 -3.934 -11.143) 12.658 4.767 ( 5.755 -0.930 1.551) 6.033 4.945 ( -2.905 -9.199 9.879) 13.808 5.043 ( -2.369 -6.187 3.904) 7.690 5.370 ( 5.245 -10.824 8.307) 14.618 5.543 ( 3.009 -4.228 7.967) 9.508 5.793 ( 8.621 -13.829 -0.880) 16.319 6.514 ( 5.669 3.189 9.446) 11.469 6.625 ( 3.075 1.064 1.330) 3.515 6.903 ( -0.705 -5.346 -3.886) 6.647 7.051 ( 5.240 -2.001 -4.479) 7.178 7.673 ( -0.408 -14.999 -1.548) 15.084 7.874 ( -0.791 -15.187 -8.000) 17.183 8.222 ( 1.632 -3.067 0.025) 3.474 8.651 ( 0.874 10.753 -10.718) 15.208 9.370 ( 0.642 9.954 -0.694) 9.998 9.717 ( -3.662 1.699 11.449) 12.139 10.532 ( 1.950 -22.528 -4.237) 23.006 10.769 ( -1.382 7.928 -0.849) 8.092 11.279 ( 1.406 1.525 -4.889) 5.310 11.330 ( 5.826 0.162 -2.292) 6.263 12.481 ( -16.272 -8.810 -22.202) 28.902 13.011 ( 6.774 0.148 1.564) 6.954 13.550 ( 0.624 2.812 0.764) 2.980 13.837 ( 7.260 -3.983 8.117) 11.596 15.070 ( -0.957 -3.156 -6.382) 7.184 15.809 ( -13.643 6.593 29.474) 33.140 17.781 ( 0.424 1.455 -3.512) 3.825 18.489 ( 2.276 13.092 -5.873) 14.529 ======================= Grid point 546 (271/320) ======================= q-point: (-0.08 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.634 -22.196 4.977) 22.756 2.708 ( -14.488 -19.448 8.051) 25.553 3.235 ( -7.314 -7.300 -0.486) 10.345 3.805 ( -13.189 -12.625 7.193) 19.623 4.412 ( -1.444 -1.252 -11.483) 11.641 4.873 ( 5.038 -4.119 -1.542) 6.688 5.088 ( -0.727 -4.623 9.672) 10.745 5.193 ( 0.980 -8.316 7.554) 11.277 5.520 ( 1.693 -5.260 7.796) 9.556 5.803 ( 5.006 -11.300 6.803) 14.108 6.131 ( 6.187 -17.020 0.391) 18.114 6.461 ( 1.806 6.462 6.926) 9.643 6.624 ( -1.406 1.644 1.132) 2.441 7.024 ( 7.825 -4.499 -2.668) 9.412 7.188 ( 8.827 -8.489 -1.939) 12.399 7.843 ( -5.214 -5.465 -2.735) 8.033 8.069 ( 0.451 -9.368 -10.671) 14.207 8.216 ( -4.817 4.450 -3.260) 7.324 8.508 ( -1.205 0.319 -8.656) 8.746 9.216 ( 4.524 7.339 1.162) 8.700 9.694 ( -4.345 0.864 12.661) 13.414 10.544 ( -1.629 11.879 -1.183) 12.048 10.859 ( 0.942 -9.732 0.172) 9.779 11.311 ( -0.469 -3.835 -5.954) 7.098 11.434 ( 9.825 -5.465 -4.189) 11.998 12.448 ( -14.216 -6.392 -20.625) 25.853 13.046 ( 7.043 2.414 1.819) 7.664 13.527 ( -0.068 -0.365 -0.760) 0.845 13.990 ( 6.285 -4.897 1.199) 8.057 15.127 ( 0.076 -4.857 -4.828) 6.849 15.662 ( -7.854 7.782 27.402) 29.548 17.748 ( 2.350 2.394 -2.759) 4.344 18.222 ( -3.659 13.091 -1.048) 13.633 ======================= Grid point 556 (272/320) ======================= q-point: (-0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -23.632 0.000 11.825) 26.425 2.151 ( -18.264 0.000 20.390) 27.374 3.160 ( -21.530 0.000 4.713) 22.039 3.257 ( -8.567 0.000 2.370) 8.888 4.322 ( 11.336 -0.000 -6.288) 12.963 4.569 ( 7.129 -0.000 -2.872) 7.686 4.845 ( -6.571 0.000 2.164) 6.919 4.999 ( 2.784 -0.000 0.145) 2.787 5.168 ( 8.437 -0.000 5.398) 10.016 5.228 ( 2.884 -0.000 10.841) 11.218 5.564 ( 0.477 -0.000 9.992) 10.003 6.495 ( 4.705 -0.000 1.048) 4.820 6.738 ( 0.327 -0.000 3.945) 3.958 6.862 ( 9.275 -0.000 -4.083) 10.134 7.058 ( 4.840 -0.000 -4.297) 6.472 7.183 ( 3.439 -0.000 -6.156) 7.052 7.430 ( 0.005 -0.000 0.518) 0.518 8.290 ( 2.069 -0.000 4.895) 5.314 8.900 ( 2.904 -0.000 -10.968) 11.346 9.564 ( -2.510 0.000 -1.719) 3.042 9.709 ( -6.167 0.000 0.624) 6.198 9.864 ( -4.350 0.000 0.838) 4.430 10.935 ( -0.913 0.000 0.545) 1.063 11.267 ( -0.161 0.000 -0.451) 0.479 11.585 ( 3.792 -0.000 -0.665) 3.850 12.174 ( -19.920 0.000 -23.228) 30.599 12.991 ( 5.020 -0.000 2.797) 5.747 13.645 ( -1.222 0.000 0.099) 1.226 13.749 ( 8.186 -0.000 11.911) 14.453 15.016 ( -0.428 0.000 -5.522) 5.539 15.933 ( -15.828 0.000 30.066) 33.978 17.802 ( -1.154 0.000 -3.333) 3.528 18.792 ( 8.431 -0.000 -12.603) 15.163 ======================= Grid point 557 (273/320) ======================= q-point: (-0.17 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -20.408 6.031 14.370) 25.678 2.152 ( -16.080 -8.167 20.607) 27.385 3.030 ( -21.029 -3.458 6.126) 22.175 3.342 ( -4.242 -10.436 2.341) 11.506 4.353 ( 1.493 -0.552 -10.111) 10.236 4.755 ( 7.730 -9.530 1.992) 12.432 4.825 ( 0.159 -1.660 3.380) 3.769 4.950 ( 0.586 -0.859 2.179) 2.414 5.299 ( 4.706 -2.714 11.901) 13.082 5.549 ( 9.337 -19.850 -0.938) 21.956 5.590 ( 3.292 0.496 10.902) 11.399 6.547 ( 2.391 -2.151 -2.002) 3.788 6.710 ( 0.736 1.484 7.795) 7.969 6.862 ( 2.720 4.572 -3.003) 6.109 7.047 ( 5.666 -1.673 -4.273) 7.291 7.413 ( 2.525 -11.986 -4.047) 12.900 7.559 ( 1.310 -14.328 -2.702) 14.639 8.253 ( 0.185 4.206 2.117) 4.712 8.810 ( 1.514 7.655 -12.232) 14.509 9.498 ( -2.235 4.663 -1.705) 5.445 9.745 ( -2.225 -0.196 8.018) 8.323 10.030 ( -2.090 -25.401 -6.396) 26.278 10.886 ( -0.855 4.797 0.086) 4.874 11.267 ( -1.125 -0.295 -1.042) 1.561 11.475 ( 2.922 9.325 -3.946) 10.539 12.089 ( -19.785 -10.680 -20.135) 30.181 13.055 ( 6.565 -1.169 2.258) 7.040 13.608 ( -0.867 2.697 0.052) 2.834 13.860 ( 6.988 -2.066 8.381) 11.106 15.019 ( 1.813 -1.200 -4.114) 4.653 15.869 ( -13.516 2.879 29.739) 32.793 17.788 ( 0.197 0.163 -2.642) 2.655 18.715 ( 3.595 9.839 -10.791) 15.039 ======================= Grid point 558 (274/320) ======================= q-point: (-0.08 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -4.498 -18.314 8.819) 20.819 2.309 ( -12.521 -15.016 17.182) 26.029 2.997 ( -17.235 -7.707 4.223) 19.347 3.525 ( -4.955 -10.873 4.118) 12.638 4.324 ( -4.028 -1.456 -13.593) 14.252 4.869 ( 4.247 -1.481 2.972) 5.391 4.974 ( -0.634 -7.733 8.783) 11.720 5.074 ( 4.074 -7.679 4.338) 9.715 5.490 ( 3.958 -6.292 10.878) 13.176 5.673 ( 6.747 -6.713 10.335) 14.050 5.912 ( 7.069 -12.552 -3.080) 14.731 6.548 ( -2.257 1.459 2.922) 3.970 6.703 ( 0.831 6.253 0.172) 6.310 6.933 ( 8.335 -11.165 0.310) 13.937 7.134 ( 7.445 -3.379 -1.849) 8.383 7.636 ( -2.896 -12.967 -1.984) 13.434 7.788 ( -4.643 -10.728 -6.451) 13.352 8.236 ( 0.100 -1.569 -2.114) 2.635 8.594 ( 0.133 11.405 -13.590) 17.742 9.376 ( 0.661 6.424 -0.266) 6.464 9.719 ( -3.850 1.906 10.720) 11.549 10.560 ( 4.967 -24.723 -5.911) 25.900 10.742 ( -1.294 9.294 -1.068) 9.444 11.242 ( -1.723 -0.372 -3.876) 4.258 11.420 ( 6.633 -1.752 -5.893) 9.044 12.084 ( -19.340 -10.409 -18.985) 29.031 13.133 ( 7.704 -0.038 2.006) 7.961 13.546 ( -0.734 2.634 -0.619) 2.803 13.961 ( 3.056 -2.878 1.609) 4.496 15.072 ( 5.132 -2.345 -0.938) 5.720 15.784 ( -8.472 4.620 26.090) 27.817 17.785 ( 1.976 0.471 -1.800) 2.714 18.453 ( -3.434 14.876 -4.781) 15.999 ======================= Grid point 569 (275/320) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -21.275 0.000 15.741) 26.465 1.996 ( -19.267 0.000 25.943) 32.315 2.845 ( -17.198 0.000 14.565) 22.537 3.247 ( 1.335 -0.000 -1.566) 2.058 4.319 ( -5.318 0.000 -9.162) 10.594 4.681 ( 8.373 -0.000 -0.977) 8.430 4.844 ( 3.984 -0.000 1.466) 4.245 5.039 ( 2.611 -0.000 -0.223) 2.621 5.291 ( 5.420 -0.000 -0.856) 5.488 5.360 ( 4.292 -0.000 14.639) 15.255 5.675 ( 6.055 -0.000 13.952) 15.209 6.526 ( -0.516 0.000 -0.967) 1.096 6.698 ( -5.280 0.000 -0.256) 5.286 7.010 ( 10.250 -0.000 0.585) 10.266 7.075 ( -0.462 0.000 -3.633) 3.662 7.262 ( 9.822 -0.000 -6.643) 11.858 7.446 ( 1.523 -0.000 2.294) 2.754 8.317 ( -1.457 0.000 1.115) 1.835 8.870 ( 1.727 -0.000 -13.489) 13.599 9.508 ( -3.010 0.000 -2.671) 4.024 9.617 ( -5.960 0.000 1.012) 6.045 9.809 ( -3.905 0.000 3.534) 5.267 10.928 ( -0.485 0.000 0.486) 0.687 11.255 ( -1.107 0.000 -0.610) 1.264 11.596 ( -5.977 0.000 -7.982) 9.971 11.761 ( -12.888 0.000 -11.328) 17.159 13.099 ( 6.863 -0.000 2.599) 7.339 13.625 ( -1.200 0.000 -0.127) 1.207 13.901 ( 3.523 -0.000 4.547) 5.752 15.033 ( 6.329 -0.000 -0.498) 6.348 15.872 ( -11.458 0.000 27.258) 29.568 17.785 ( 0.598 -0.000 -1.789) 1.887 18.807 ( 1.898 -0.000 -13.125) 13.262 ======================= Grid point 570 (276/320) ======================= q-point: (-0.08 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -11.365 -1.087 15.637) 19.361 2.020 ( -17.264 -10.439 24.228) 31.528 2.800 ( -11.619 -1.156 12.630) 17.201 3.341 ( 1.012 -8.254 2.003) 8.554 4.236 ( -6.814 -0.067 -12.224) 13.995 4.880 ( 5.060 -5.090 3.638) 8.046 4.886 ( 5.052 -4.270 0.940) 6.682 4.981 ( 1.851 -2.009 3.296) 4.281 5.454 ( 6.767 -2.663 12.848) 14.764 5.602 ( 1.332 -17.556 -2.993) 17.859 5.764 ( 7.549 -1.872 11.732) 14.076 6.516 ( -3.897 -0.773 -2.613) 4.755 6.760 ( 1.167 -10.569 2.670) 10.963 6.877 ( 1.865 10.306 -3.123) 10.929 7.149 ( 7.628 -2.054 1.232) 7.995 7.421 ( 1.653 -6.648 -4.095) 7.981 7.561 ( 0.328 -9.838 -1.686) 9.987 8.235 ( -3.001 3.410 -1.436) 4.764 8.760 ( 1.070 8.356 -13.471) 15.888 9.451 ( -2.443 2.726 -1.215) 3.857 9.754 ( -2.448 1.097 7.234) 7.715 9.977 ( 0.192 -32.985 -7.080) 33.737 10.876 ( -0.400 5.278 0.072) 5.294 11.234 ( -2.790 1.165 -1.314) 3.296 11.416 ( -7.167 2.252 -10.180) 12.652 11.774 ( -7.982 -5.323 -6.404) 11.535 13.180 ( 7.812 -1.562 2.620) 8.387 13.591 ( -0.951 2.492 -0.316) 2.686 13.928 ( -1.728 -1.455 -0.637) 2.347 15.106 ( 8.939 -0.611 3.128) 9.490 15.849 ( -5.437 1.813 21.733) 22.476 17.793 ( 1.484 -0.463 -0.932) 1.812 18.662 ( -3.800 11.055 -8.792) 14.627 ======================= Grid point 582 (277/320) ======================= q-point: (-0.08 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -11.900 0.000 16.741) 20.539 1.825 ( -17.547 0.000 24.598) 30.216 2.824 ( -0.363 0.000 23.572) 23.575 3.263 ( 1.981 -0.000 -2.159) 2.930 4.145 ( -7.426 0.000 -12.905) 14.889 4.802 ( 7.069 -0.000 -0.621) 7.097 4.914 ( 2.957 -0.000 1.805) 3.465 5.083 ( 3.119 -0.000 0.305) 3.134 5.288 ( -4.379 0.000 -0.679) 4.431 5.542 ( 9.030 -0.000 12.932) 15.773 5.859 ( 6.304 -0.000 14.418) 15.736 6.469 ( -7.564 0.000 3.978) 8.547 6.616 ( -2.000 0.000 -7.584) 7.844 7.023 ( -2.320 0.000 -5.820) 6.266 7.172 ( 9.123 -0.000 2.351) 9.421 7.363 ( 6.110 -0.000 -5.004) 7.897 7.500 ( 3.172 -0.000 3.107) 4.440 8.245 ( -7.042 0.000 -2.777) 7.570 8.821 ( 1.626 -0.000 -13.955) 14.049 9.451 ( -2.611 0.000 -1.920) 3.241 9.547 ( -3.282 0.000 1.107) 3.464 9.783 ( -2.543 0.000 5.188) 5.778 10.926 ( -0.015 0.000 0.590) 0.590 11.215 ( -4.706 0.000 -2.340) 5.256 11.325 ( -10.228 0.000 -8.139) 13.071 11.719 ( 1.383 -0.000 -0.315) 1.418 13.230 ( 8.067 -0.000 2.934) 8.584 13.609 ( -0.757 0.000 -0.239) 0.794 13.879 ( -5.897 0.000 -3.057) 6.642 15.181 ( 6.783 -0.000 6.704) 9.537 15.901 ( 3.495 -0.000 13.914) 14.346 17.796 ( 1.224 -0.000 -0.306) 1.261 18.709 ( -6.762 0.000 -8.935) 11.205 ======================= Grid point 583 (278/320) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 -0.000 0.000) 0.000 2.031 ( -0.000 0.000 0.000) 0.000 3.156 ( 0.000 -0.000 0.000) 0.000 3.358 ( 0.000 -0.000 0.000) 0.000 3.813 ( -0.000 0.000 0.000) 0.000 4.857 ( 0.000 -0.000 0.000) 0.000 4.984 ( -0.000 0.000 0.000) 0.000 5.137 ( -0.000 0.000 0.000) 0.000 5.192 ( -0.000 0.000 0.000) 0.000 5.865 ( 0.000 -0.000 0.000) 0.000 6.205 ( -0.000 0.000 0.000) 0.000 6.355 ( -0.000 0.000 0.000) 0.000 6.476 ( 0.000 -0.000 0.000) 0.000 6.877 ( 0.000 -0.000 0.000) 0.000 7.257 ( 0.000 -0.000 0.000) 0.000 7.365 ( -0.000 0.000 0.000) 0.000 7.701 ( -0.000 0.000 0.000) 0.000 7.982 ( -0.000 0.000 0.000) 0.000 8.612 ( -0.000 0.000 0.000) 0.000 9.424 ( 0.000 -0.000 0.000) 0.000 9.539 ( 0.000 -0.000 0.000) 0.000 9.841 ( -0.000 0.000 0.000) 0.000 10.954 ( 0.000 -0.000 0.000) 0.000 11.061 ( 0.000 -0.000 0.000) 0.000 11.241 ( -0.000 0.000 0.000) 0.000 11.729 ( 0.000 -0.000 0.000) 0.000 13.391 ( -0.000 0.000 0.000) 0.000 13.589 ( 0.000 -0.000 0.000) 0.000 13.713 ( -0.000 0.000 0.000) 0.000 15.339 ( 0.000 -0.000 0.000) 0.000 16.098 ( -0.000 0.000 0.000) 0.000 17.809 ( -0.000 0.000 0.000) 0.000 18.527 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 585 (279/320) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.199 -3.807 -1.970) 4.818 2.205 ( 11.515 -13.805 -3.897) 18.395 2.927 ( -1.861 13.027 -1.383) 13.232 3.482 ( -6.960 -8.219 -1.946) 10.944 3.872 ( 10.674 -0.634 2.480) 10.977 4.899 ( -3.679 -4.451 2.631) 6.346 4.973 ( 1.099 -3.222 -2.111) 4.006 5.270 ( -6.680 -13.362 -8.036) 16.963 5.432 ( 3.017 -18.791 7.556) 20.477 5.805 ( -1.596 3.160 -3.969) 5.318 6.141 ( -5.074 3.269 -7.940) 9.974 6.256 ( 1.578 3.438 9.142) 9.894 6.736 ( -0.421 -13.430 1.558) 13.526 6.902 ( 1.184 -5.644 -0.818) 5.825 7.303 ( -4.327 -3.625 -0.285) 5.652 7.345 ( 0.117 -1.766 0.147) 1.776 7.706 ( -1.041 -2.193 -7.916) 8.280 7.952 ( 3.415 4.399 10.107) 11.540 8.538 ( -0.003 8.057 0.396) 8.067 9.419 ( 0.305 0.722 0.352) 0.859 9.783 ( 1.038 -9.608 0.963) 9.712 9.912 ( 0.229 -19.528 0.134) 19.530 10.906 ( -2.136 4.163 -1.231) 4.838 11.048 ( 6.256 3.078 2.317) 7.347 11.249 ( 0.314 -0.228 0.256) 0.465 11.709 ( -0.273 1.328 0.064) 1.358 13.385 ( -5.603 -1.824 -3.028) 6.625 13.570 ( 1.183 2.657 0.206) 2.915 13.746 ( 4.575 -1.137 3.409) 5.818 15.298 ( -9.624 0.403 2.602) 9.978 16.118 ( 10.779 1.369 -9.118) 14.184 17.814 ( -1.909 -1.040 0.173) 2.181 18.448 ( -0.541 8.259 4.116) 9.244 ======================= Grid point 586 (280/320) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -2.155 -15.912 -0.872) 16.081 2.597 ( 10.720 -13.817 -11.667) 21.023 2.814 ( 8.054 -4.644 2.226) 9.560 3.541 ( -6.040 -5.361 2.022) 8.326 3.978 ( 10.130 -1.336 2.444) 10.506 4.959 ( -5.157 -3.900 2.833) 7.059 5.088 ( 0.411 -6.697 -2.500) 7.160 5.427 ( -4.743 -11.622 -12.180) 17.491 5.770 ( -1.677 -5.915 -1.126) 6.251 5.812 ( -2.051 -12.779 5.475) 14.053 6.026 ( -7.414 -0.348 -6.257) 9.708 6.304 ( 5.157 -2.149 10.064) 11.511 6.726 ( -1.280 6.262 -2.723) 6.948 7.215 ( -4.018 -19.550 -1.280) 20.000 7.287 ( -9.628 -2.976 -3.262) 10.592 7.512 ( 4.850 -12.296 2.453) 13.444 7.719 ( 0.798 -1.380 -10.176) 10.300 7.983 ( 5.593 -1.459 15.045) 16.117 8.327 ( 1.500 14.269 0.993) 14.382 9.396 ( -1.295 1.922 -0.078) 2.319 9.819 ( 0.953 0.405 1.015) 1.450 10.451 ( -0.479 -22.502 3.488) 22.775 10.789 ( -5.684 1.496 -3.339) 6.760 11.101 ( 6.946 -3.191 5.023) 9.147 11.265 ( 1.488 -1.780 2.595) 3.481 11.708 ( 3.968 -0.470 0.324) 4.009 13.346 ( -7.806 -0.373 -4.033) 8.794 13.520 ( 1.576 3.289 -0.157) 3.650 13.830 ( 5.767 -1.951 4.986) 7.870 15.210 ( -13.627 -0.369 3.897) 14.178 16.144 ( 15.170 3.786 -15.557) 22.056 17.805 ( -4.963 -0.191 1.112) 5.090 18.268 ( 1.444 11.577 5.517) 12.905 ======================= Grid point 587 (281/320) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -4.032 -20.175 2.155) 20.687 2.785 ( 4.009 -9.604 -3.957) 11.134 3.182 ( 13.203 -15.857 -8.669) 22.380 3.677 ( 0.792 -12.315 7.240) 14.308 4.105 ( 7.053 -4.544 3.309) 9.019 4.959 ( -5.964 -0.656 -0.145) 6.002 5.166 ( -0.366 -2.707 0.331) 2.751 5.583 ( -3.750 -7.478 -13.591) 15.960 5.766 ( -5.075 -3.363 -3.221) 6.887 5.961 ( -5.869 -5.179 4.431) 8.995 6.193 ( -1.382 -18.961 -0.412) 19.016 6.410 ( 7.422 -0.093 4.697) 8.784 6.587 ( 1.095 6.008 -1.490) 6.287 7.218 ( -13.265 0.490 -1.398) 13.348 7.452 ( -8.728 -12.543 -5.154) 16.126 7.692 ( 4.178 2.566 -5.087) 7.065 7.855 ( 1.214 -15.683 4.637) 16.400 8.073 ( 5.805 9.271 1.725) 11.074 8.196 ( 7.413 -7.057 8.774) 13.481 9.305 ( -3.602 5.860 -0.648) 6.909 9.820 ( 1.352 0.540 1.002) 1.768 10.472 ( 1.779 12.058 2.274) 12.399 10.890 ( -3.832 -10.401 -2.166) 11.294 11.221 ( -1.451 -5.019 0.606) 5.259 11.420 ( -5.196 -11.038 7.899) 14.534 11.842 ( 14.046 -6.617 4.905) 16.282 13.259 ( -7.782 1.780 -4.771) 9.300 13.491 ( 2.209 0.905 0.020) 2.387 13.922 ( 4.249 -2.181 5.149) 7.023 15.141 ( -13.044 -2.507 5.110) 14.232 16.110 ( 13.703 7.368 -19.159) 24.680 17.738 ( -7.439 2.724 3.827) 8.798 18.103 ( 4.544 9.377 2.995) 10.842 ======================= Grid point 588 (282/320) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -3.425 -16.946 4.294) 17.814 2.997 ( 5.378 -7.751 0.557) 9.450 3.489 ( 5.228 -14.648 -11.208) 19.170 4.048 ( 7.524 -19.118 5.518) 21.274 4.260 ( 2.703 -6.207 3.534) 7.637 4.924 ( -4.183 -0.620 0.614) 4.273 5.204 ( -0.330 -1.267 2.534) 2.853 5.506 ( -4.544 4.066 -6.606) 8.990 5.879 ( -5.610 -8.963 -2.877) 10.959 6.010 ( -4.467 -3.549 1.085) 5.807 6.367 ( 4.910 8.572 -0.633) 9.899 6.534 ( -1.489 -14.776 -2.822) 15.116 6.599 ( 6.543 -4.079 -2.523) 8.113 7.052 ( -10.377 5.924 1.746) 12.076 7.562 ( -7.169 -7.837 -0.135) 10.622 7.659 ( 1.804 1.193 -0.455) 2.211 7.919 ( 2.294 3.561 -2.097) 4.726 8.228 ( 3.212 -14.639 3.517) 15.394 8.415 ( 5.817 -5.582 1.854) 8.273 9.142 ( -4.453 6.981 0.685) 8.308 9.827 ( 1.561 0.259 1.299) 2.048 10.237 ( 1.565 13.861 1.393) 14.018 11.018 ( -1.683 -5.717 -0.025) 5.959 11.306 ( 0.448 -4.345 0.450) 4.391 11.551 ( -7.916 -9.054 2.538) 12.292 12.092 ( 11.709 -3.787 9.379) 15.473 13.143 ( -7.008 2.840 -5.115) 9.129 13.533 ( 3.506 -2.780 -0.059) 4.475 14.009 ( 1.911 -3.401 5.017) 6.355 15.141 ( -9.827 -5.431 7.345) 13.417 15.973 ( 8.984 11.119 -19.925) 24.522 17.635 ( -5.594 3.335 5.325) 8.412 17.995 ( 4.304 6.723 -0.065) 7.983 ======================= Grid point 589 (283/320) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -1.988 -9.675 3.267) 10.403 3.127 ( 3.103 -2.463 1.810) 4.356 3.783 ( 6.435 -13.796 -9.475) 17.931 4.300 ( -6.781 -1.793 5.494) 8.909 4.494 ( 9.416 -15.636 -2.468) 18.418 4.926 ( -2.647 -0.540 4.550) 5.291 5.216 ( -1.257 0.656 2.618) 2.977 5.425 ( 1.217 0.376 -2.112) 2.467 5.942 ( -4.466 -2.102 4.263) 6.522 6.041 ( -4.596 -4.175 -5.839) 8.523 6.229 ( 3.231 8.127 0.009) 8.746 6.594 ( -9.348 4.354 -2.804) 10.687 6.657 ( 6.744 1.323 -4.831) 8.400 7.061 ( 1.725 -10.980 -0.321) 11.119 7.558 ( -0.197 5.490 8.389) 10.028 7.761 ( -0.416 -7.692 -2.099) 7.984 7.907 ( -0.823 -4.618 -3.873) 6.084 8.380 ( 0.147 5.608 1.698) 5.861 8.576 ( 1.075 -13.861 -2.040) 14.052 9.011 ( -1.140 5.662 2.024) 6.120 9.841 ( 1.083 -0.080 2.113) 2.376 10.018 ( 0.846 9.862 0.086) 9.898 11.073 ( -1.020 -1.481 0.680) 1.922 11.377 ( 0.924 -2.248 0.450) 2.472 11.688 ( -5.564 -10.217 -0.283) 11.637 12.181 ( 7.316 3.535 7.012) 10.732 13.033 ( -4.609 2.325 -3.499) 6.237 13.614 ( 2.847 -2.331 -0.623) 3.732 14.108 ( 0.443 -4.410 3.796) 5.835 15.233 ( -5.534 -8.231 10.320) 14.314 15.746 ( 4.360 12.640 -17.702) 22.184 17.570 ( -2.500 1.495 3.693) 4.704 17.915 ( 2.352 4.299 -0.999) 5.001 ======================= Grid point 590 (284/320) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.000 0.000 0.000) 0.000 3.162 ( -0.000 0.000 0.000) 0.000 3.964 ( -0.000 0.000 0.000) 0.000 4.253 ( -0.000 0.000 0.000) 0.000 4.733 ( -0.000 0.000 0.000) 0.000 4.897 ( -0.000 0.000 0.000) 0.000 5.188 ( -0.000 0.000 0.000) 0.000 5.461 ( -0.000 0.000 0.000) 0.000 5.943 ( -0.000 0.000 0.000) 0.000 6.040 ( -0.000 0.000 0.000) 0.000 6.174 ( -0.000 0.000 0.000) 0.000 6.458 ( -0.000 0.000 0.000) 0.000 6.672 ( -0.000 0.000 0.000) 0.000 7.225 ( -0.000 -0.000 0.000) 0.000 7.482 ( -0.000 0.000 0.000) 0.000 7.804 ( -0.000 0.000 0.000) 0.000 8.036 ( -0.000 0.000 0.000) 0.000 8.250 ( -0.000 0.000 0.000) 0.000 8.774 ( -0.000 -0.000 0.000) 0.000 8.910 ( -0.000 0.000 0.000) 0.000 9.853 ( -0.000 0.000 -0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 11.080 ( -0.000 0.000 0.000) 0.000 11.403 ( -0.000 0.000 0.000) 0.000 11.780 ( -0.000 0.000 0.000) 0.000 12.169 ( -0.000 0.000 0.000) 0.000 12.985 ( -0.000 0.000 0.000) 0.000 13.645 ( -0.000 0.000 0.000) 0.000 14.164 ( -0.000 0.000 0.000) 0.000 15.358 ( -0.000 0.000 0.000) 0.000 15.561 ( 0.000 0.000 0.000) 0.000 17.553 ( -0.000 0.000 0.000) 0.000 17.879 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 598 (285/320) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 12.245 -0.000 -5.449) 13.403 2.171 ( 18.926 -0.000 -5.948) 19.838 3.086 ( -8.157 0.000 -4.576) 9.353 3.270 ( -4.038 0.000 -2.652) 4.831 3.985 ( 15.709 -0.000 2.979) 15.989 4.819 ( -4.417 0.000 -1.808) 4.773 4.936 ( -5.333 0.000 -0.177) 5.336 5.102 ( -3.133 0.000 -1.239) 3.369 5.212 ( -0.411 0.000 5.408) 5.424 5.815 ( -2.473 0.000 -10.531) 10.818 6.109 ( -7.777 0.000 -8.672) 11.649 6.349 ( -4.263 0.000 9.499) 10.412 6.541 ( 5.862 -0.000 5.130) 7.790 6.925 ( 4.320 -0.000 2.539) 5.011 7.194 ( -7.018 0.000 -1.813) 7.248 7.323 ( -5.290 0.000 -0.436) 5.308 7.650 ( -1.791 0.000 -9.549) 9.715 8.072 ( 4.565 -0.000 14.494) 15.196 8.612 ( -0.183 0.000 0.300) 0.352 9.439 ( 1.749 -0.000 0.751) 1.903 9.570 ( 4.136 -0.000 -0.982) 4.251 9.847 ( 0.392 -0.000 0.675) 0.781 10.939 ( -0.685 0.000 -0.715) 0.990 11.150 ( 9.360 -0.000 2.337) 9.647 11.248 ( 0.858 -0.000 1.040) 1.348 11.715 ( -1.782 0.000 0.127) 1.786 13.304 ( -7.296 0.000 -4.082) 8.360 13.606 ( 1.249 -0.000 0.096) 1.253 13.790 ( 6.263 -0.000 4.893) 7.948 15.211 ( -14.830 0.000 3.313) 15.195 16.212 ( 17.714 -0.000 -16.170) 23.984 17.785 ( -3.065 0.000 0.675) 3.139 18.533 ( -2.191 0.000 8.398) 8.679 ======================= Grid point 599 (286/320) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 10.946 2.907 -6.185) 12.904 2.448 ( 21.763 -10.901 -13.726) 27.944 2.888 ( 0.181 6.273 0.247) 6.281 3.370 ( -4.981 -8.339 -0.688) 9.738 4.090 ( 12.867 2.127 2.571) 13.293 4.840 ( -5.298 -5.087 4.105) 8.414 4.960 ( -1.824 -5.447 -3.083) 6.519 5.105 ( -7.779 -10.386 -7.670) 15.073 5.488 ( -1.417 -19.828 7.100) 21.108 5.728 ( -2.708 2.223 -11.212) 11.746 5.980 ( -9.406 3.069 -8.021) 12.737 6.318 ( -1.679 -0.180 12.150) 12.267 6.751 ( 1.007 -7.653 4.148) 8.763 6.920 ( 2.286 -2.545 -3.804) 5.116 7.185 ( -9.599 -1.145 -1.753) 9.825 7.341 ( -1.201 -9.053 1.728) 9.294 7.642 ( -0.921 -3.346 -8.790) 9.450 8.094 ( 4.959 4.182 14.158) 15.574 8.541 ( -0.227 7.318 1.571) 7.488 9.434 ( 1.324 2.282 1.063) 2.844 9.819 ( 2.217 -5.843 2.137) 6.605 9.918 ( 0.646 -20.968 -0.102) 20.978 10.879 ( -0.400 5.654 -0.495) 5.690 11.191 ( 7.444 2.856 2.989) 8.515 11.274 ( 3.447 0.488 2.512) 4.293 11.714 ( 1.584 -1.608 0.948) 2.448 13.251 ( -7.815 -1.455 -4.166) 8.975 13.590 ( 1.372 2.595 -0.205) 2.943 13.861 ( 5.459 -1.060 4.977) 7.463 15.101 ( -15.009 -0.171 3.365) 15.382 16.290 ( 19.419 2.322 -20.987) 28.687 17.765 ( -4.541 -0.362 1.843) 4.914 18.467 ( -2.121 7.177 10.066) 12.543 ======================= Grid point 600 (287/320) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.537 -10.537 -3.585) 12.432 2.649 ( 6.710 -6.197 -13.199) 16.051 3.044 ( 17.142 -10.198 -1.727) 20.021 3.499 ( -0.738 -9.348 5.706) 10.976 4.141 ( 7.710 0.701 3.636) 8.553 4.875 ( -7.379 -2.446 2.649) 8.213 5.075 ( -0.155 -6.442 -2.213) 6.813 5.292 ( -3.494 -15.595 -12.500) 20.289 5.683 ( -4.719 -2.452 -5.515) 7.662 5.818 ( -3.660 -13.461 0.651) 13.964 5.857 ( -8.793 -3.581 -2.661) 9.860 6.409 ( -0.176 -5.578 11.212) 12.524 6.711 ( 1.856 5.978 -2.166) 6.624 7.081 ( -11.041 -2.976 -6.384) 13.097 7.152 ( -3.792 -10.979 -2.483) 11.878 7.587 ( 2.543 -14.494 2.749) 14.970 7.714 ( 2.394 -4.151 -2.912) 5.607 8.128 ( 3.567 -2.213 10.552) 11.356 8.368 ( 2.414 11.692 3.409) 12.415 9.374 ( -1.285 4.613 0.136) 4.791 9.842 ( 1.093 0.457 1.070) 1.597 10.452 ( -1.849 -27.016 3.800) 27.345 10.731 ( -0.656 8.963 -0.630) 9.009 11.180 ( 1.421 2.196 2.715) 3.769 11.301 ( -0.684 -2.025 4.264) 4.770 11.851 ( 13.127 -6.013 5.190) 15.343 13.198 ( -8.024 -0.247 -4.059) 8.996 13.543 ( 1.607 3.003 -0.506) 3.443 13.931 ( 2.864 -1.490 3.967) 5.115 15.018 ( -11.987 -1.415 4.380) 12.841 16.299 ( 17.031 5.906 -23.823) 29.875 17.728 ( -5.976 0.974 4.018) 7.267 18.319 ( 0.128 9.546 7.849) 12.359 ======================= Grid point 601 (288/320) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.896 -17.865 0.288) 17.967 2.859 ( 8.834 -11.648 -4.708) 15.358 3.293 ( 6.209 -8.571 -6.816) 12.588 3.796 ( 8.002 -16.167 7.769) 19.641 4.221 ( 5.102 -2.602 4.848) 7.503 4.850 ( -8.563 -1.852 1.652) 8.916 5.164 ( 0.422 -3.584 -0.429) 3.634 5.465 ( -1.905 -4.917 -13.005) 14.033 5.671 ( -4.168 -5.037 -5.765) 8.717 5.869 ( -7.786 -7.281 1.952) 10.837 6.147 ( -3.612 -20.098 -1.527) 20.477 6.517 ( 3.684 -0.994 1.759) 4.201 6.623 ( 2.806 3.511 -0.519) 4.524 7.000 ( -12.522 -0.927 -0.072) 12.557 7.289 ( -6.608 -8.954 -8.452) 13.974 7.754 ( 3.493 1.935 3.043) 5.020 7.888 ( 0.064 -12.058 3.263) 12.492 8.180 ( 6.929 6.049 0.868) 9.239 8.335 ( 4.496 -8.043 8.204) 12.338 9.236 ( -4.425 7.417 -0.891) 8.682 9.844 ( 0.973 0.302 0.568) 1.167 10.510 ( 1.721 12.764 1.866) 13.014 10.847 ( -0.981 -13.185 0.310) 13.225 11.203 ( -3.057 -5.496 3.803) 7.350 11.358 ( -5.220 -5.322 3.193) 8.110 12.123 ( 15.775 -6.709 10.489) 20.097 13.112 ( -7.649 1.549 -4.367) 8.943 13.522 ( 1.857 0.010 -0.781) 2.014 13.980 ( -0.229 -1.930 2.678) 3.309 15.004 ( -7.506 -3.761 6.961) 10.906 16.199 ( 11.995 10.225 -24.276) 28.944 17.660 ( -5.656 2.556 5.994) 8.629 18.172 ( 2.023 8.578 3.511) 9.487 ======================= Grid point 602 (289/320) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.521 -15.962 1.112) 16.009 3.097 ( 6.180 -5.599 1.546) 8.481 3.535 ( 7.446 -15.315 -7.420) 18.575 4.154 ( -0.643 -12.327 7.465) 14.426 4.352 ( 9.606 -6.820 1.660) 11.897 4.852 ( -7.064 -4.282 3.965) 9.163 5.212 ( -0.316 -1.107 1.550) 1.931 5.425 ( -1.255 1.084 -6.769) 6.969 5.769 ( -4.889 -8.739 -7.102) 12.276 5.942 ( -5.479 -4.321 3.703) 7.900 6.387 ( -5.654 0.201 -7.134) 9.105 6.442 ( -1.403 -1.740 -0.753) 2.359 6.733 ( 10.363 -4.984 -3.823) 12.118 6.943 ( -4.432 -1.769 3.310) 5.808 7.414 ( -8.369 -14.968 -5.313) 17.953 7.719 ( 2.880 5.234 5.453) 8.088 7.938 ( 0.379 3.814 -0.079) 3.834 8.299 ( 3.062 -10.478 3.886) 11.587 8.508 ( 5.645 -1.750 0.105) 5.911 9.067 ( -5.597 4.558 1.027) 7.291 9.849 ( 0.607 -0.009 0.031) 0.608 10.277 ( 2.396 14.163 2.312) 14.549 10.993 ( -2.087 -5.189 0.447) 5.611 11.327 ( 1.163 -5.407 2.583) 6.104 11.449 ( -5.987 -9.465 1.454) 11.294 12.323 ( 10.704 0.568 11.022) 15.375 13.013 ( -6.129 1.542 -4.442) 7.724 13.568 ( 1.188 -3.276 -1.460) 3.778 14.030 ( -1.720 -4.050 2.159) 4.901 15.083 ( -3.357 -6.697 10.607) 12.986 15.984 ( 6.790 13.502 -22.482) 27.090 17.590 ( -3.915 2.280 5.655) 7.246 18.046 ( 2.198 7.292 0.244) 7.620 ======================= Grid point 603 (290/320) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.617 -9.419 -1.458) 9.551 3.174 ( 1.305 -0.008 2.048) 2.428 3.880 ( 9.809 -12.676 -2.976) 16.302 4.233 ( -4.845 -0.992 7.121) 8.670 4.639 ( 10.497 -10.821 -2.723) 15.319 4.893 ( -4.516 -2.610 4.829) 7.108 5.190 ( -3.700 1.881 2.329) 4.759 5.431 ( 0.410 -2.153 -3.953) 4.520 5.868 ( -5.659 -8.313 -4.751) 11.122 5.963 ( -3.069 -1.190 2.795) 4.318 6.216 ( -3.891 5.528 -4.644) 8.201 6.438 ( -6.809 0.843 1.308) 6.985 6.787 ( 10.429 4.498 -4.367) 12.169 7.098 ( 3.542 -10.564 -0.566) 11.156 7.584 ( -1.305 3.854 4.004) 5.709 7.739 ( -1.491 -13.184 1.378) 13.339 7.877 ( -0.267 -0.618 -4.285) 4.338 8.382 ( -0.452 8.611 0.216) 8.626 8.586 ( 0.689 -10.738 -0.061) 10.760 9.005 ( -0.984 2.237 2.249) 3.321 9.851 ( -0.048 -0.006 -1.157) 1.158 10.055 ( 2.658 11.469 3.289) 12.224 11.041 ( -3.650 -2.652 0.689) 4.564 11.400 ( 1.264 -1.215 1.661) 2.415 11.626 ( -1.658 -11.306 -1.725) 11.557 12.320 ( 5.229 8.442 7.762) 12.604 12.961 ( -2.284 -1.004 -2.381) 3.449 13.616 ( -1.824 -2.000 -1.933) 3.326 14.116 ( -0.744 -4.769 1.040) 4.937 15.249 ( -0.945 -8.960 14.137) 16.763 15.712 ( 3.944 13.029 -19.199) 23.535 17.549 ( -2.546 0.653 3.293) 4.213 17.940 ( 1.490 5.285 -0.816) 5.552 ======================= Grid point 604 (291/320) ======================= q-point: (-0.42 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 1.500 -0.591 -4.612) 4.886 3.151 ( -1.399 2.392 0.294) 2.786 3.983 ( -0.221 7.070 10.548) 12.700 4.310 ( 6.166 -5.199 -1.617) 8.226 4.713 ( -2.670 9.585 1.596) 10.077 4.916 ( 2.696 -1.413 -2.867) 4.181 5.181 ( -1.179 -3.371 1.134) 3.747 5.400 ( -4.517 0.939 -5.004) 6.807 5.959 ( 1.999 -0.870 -1.430) 2.607 6.005 ( -5.267 -9.082 -1.342) 10.584 6.144 ( -2.242 0.023 1.116) 2.505 6.447 ( -1.006 -6.794 1.931) 7.134 6.754 ( 7.414 5.357 2.272) 9.425 7.229 ( 0.995 2.546 -1.406) 3.074 7.479 ( -0.595 1.924 0.453) 2.064 7.794 ( -0.518 0.636 -1.769) 1.950 8.050 ( 1.560 -1.340 0.383) 2.092 8.226 ( -2.288 -3.105 -1.504) 4.139 8.781 ( 0.563 -4.338 0.648) 4.422 8.907 ( -0.840 4.804 1.179) 5.017 9.834 ( -0.285 1.007 -3.741) 3.884 9.951 ( 1.596 1.930 3.980) 4.703 11.058 ( -2.539 -1.995 0.178) 3.234 11.409 ( 0.563 1.325 1.076) 1.798 11.789 ( 2.078 -5.492 -4.207) 7.224 12.170 ( -0.711 9.531 3.167) 10.068 13.007 ( 2.159 -3.869 1.095) 4.564 13.606 ( -4.265 -0.064 -1.067) 4.397 14.152 ( -0.669 1.032 -2.138) 2.466 15.387 ( 3.024 3.445 0.759) 4.646 15.568 ( 0.520 -4.799 0.992) 4.928 17.544 ( -1.021 -1.234 -0.150) 1.609 17.879 ( -0.002 1.508 -0.031) 1.508 ======================= Grid point 605 (292/320) ======================= q-point: (-0.33 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 2.707 8.582 -5.662) 10.632 3.071 ( -2.780 4.431 -1.086) 5.342 3.788 ( -0.920 15.409 13.719) 20.652 4.333 ( 1.005 9.903 -8.559) 13.128 4.388 ( -6.000 15.374 3.569) 16.885 4.931 ( 0.597 -1.061 -1.617) 2.024 5.214 ( 1.058 0.095 -2.967) 3.151 5.443 ( 2.339 -6.783 1.557) 7.342 5.976 ( 2.705 -0.640 -6.769) 7.318 6.118 ( -0.515 0.436 5.889) 5.927 6.160 ( -2.436 -7.100 -0.473) 7.521 6.552 ( -5.174 -0.346 3.838) 6.452 6.804 ( 10.153 -1.633 4.081) 11.064 7.040 ( -1.239 9.135 -0.207) 9.221 7.513 ( -0.295 -4.143 -7.590) 8.652 7.767 ( -0.707 2.545 1.643) 3.111 7.940 ( 0.941 5.625 3.071) 6.477 8.360 ( -0.718 -2.887 -2.485) 3.876 8.576 ( -0.577 16.726 2.596) 16.936 9.018 ( 0.887 -8.780 -1.129) 8.896 9.806 ( -1.172 0.140 -3.022) 3.245 10.016 ( -0.206 -7.363 1.192) 7.462 11.077 ( 0.022 -0.494 0.031) 0.495 11.370 ( 0.129 3.090 0.568) 3.144 11.785 ( 6.816 8.764 -1.892) 11.262 12.032 ( -7.655 1.525 -4.018) 8.779 13.129 ( 4.889 -5.081 3.794) 8.007 13.549 ( -4.785 2.032 -0.652) 5.240 14.063 ( -2.021 5.317 -4.531) 7.272 15.302 ( 8.425 5.820 -7.215) 12.526 15.759 ( -4.751 -10.721 13.976) 18.244 17.588 ( 2.045 -3.770 -3.149) 5.321 17.881 ( -2.510 -2.255 0.992) 3.517 ======================= Grid point 606 (293/320) ======================= q-point: (-0.25 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 4.083 15.626 -4.141) 16.673 2.931 ( -2.712 7.881 -0.682) 8.362 3.477 ( -4.358 19.751 11.585) 23.309 3.938 ( -2.045 18.950 -5.287) 19.780 4.179 ( -5.188 8.584 -3.000) 10.469 4.982 ( 2.613 -2.169 2.185) 4.038 5.196 ( 0.450 1.350 -2.843) 3.179 5.625 ( 6.008 -6.954 5.217) 10.568 5.965 ( 5.561 7.019 -3.940) 9.783 6.046 ( -1.471 3.447 3.117) 4.875 6.303 ( -1.989 -7.043 -0.004) 7.318 6.452 ( -7.182 5.765 0.926) 9.256 6.614 ( 1.621 15.560 0.988) 15.675 7.206 ( 8.924 -11.559 -0.409) 14.609 7.566 ( -1.836 -3.643 -3.610) 5.447 7.716 ( 3.291 2.697 3.048) 5.234 7.913 ( 0.196 -0.005 4.330) 4.334 8.170 ( -2.125 17.084 -2.333) 17.373 8.312 ( -5.287 11.929 -2.747) 13.334 9.194 ( 2.474 -8.617 -0.286) 8.970 9.796 ( -1.281 -0.599 -1.236) 1.878 10.211 ( -1.002 -13.055 -0.799) 13.118 11.050 ( 1.909 4.648 0.915) 5.108 11.309 ( 0.624 3.691 0.659) 3.801 11.651 ( 6.521 8.741 -3.144) 11.350 11.880 ( -9.862 8.062 -5.037) 13.697 13.272 ( 5.805 -4.116 4.905) 8.643 13.473 ( -3.388 1.472 -1.359) 3.935 13.937 ( -3.255 4.303 -4.314) 6.908 15.276 ( 10.368 3.298 -5.322) 12.111 15.922 ( -8.382 -8.067 13.230) 17.617 17.705 ( 6.332 -6.012 -3.927) 9.574 17.918 ( -5.680 -4.801 0.832) 7.483 ======================= Grid point 607 (294/320) ======================= q-point: (-0.17 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.753 19.944 -1.486) 20.348 2.763 ( -0.939 7.421 1.064) 7.556 3.031 ( -8.077 23.652 4.362) 25.371 3.679 ( 2.682 7.891 -2.618) 8.736 3.989 ( -4.925 6.507 -1.208) 8.250 5.029 ( 2.453 0.446 0.521) 2.547 5.166 ( -0.026 1.709 -0.372) 1.749 5.694 ( 2.055 10.939 7.447) 13.392 5.860 ( 4.580 -0.476 1.992) 5.017 5.988 ( 0.865 6.611 -5.456) 8.615 6.205 ( 0.288 12.271 2.102) 12.453 6.277 ( -5.251 3.925 -3.874) 7.615 6.597 ( 0.632 -8.034 0.833) 8.102 7.395 ( 7.788 -1.007 0.988) 7.915 7.528 ( -1.164 7.742 -1.255) 7.929 7.748 ( 5.658 5.086 11.257) 13.587 7.818 ( -0.718 14.574 -1.424) 14.661 7.966 ( -6.120 4.757 -8.168) 11.260 8.051 ( -4.609 -6.624 -2.534) 8.458 9.347 ( 1.414 -5.366 0.256) 5.556 9.799 ( -0.636 -0.732 -0.494) 1.088 10.440 ( -0.854 -10.947 -1.090) 11.034 10.965 ( 2.910 5.362 2.137) 6.464 11.254 ( 2.154 4.384 2.037) 5.292 11.400 ( -1.523 23.235 -8.717) 24.864 11.682 ( -4.508 0.851 0.826) 4.661 13.388 ( 5.272 -2.405 3.817) 6.939 13.456 ( -2.081 -1.964 -1.296) 3.141 13.831 ( -3.243 3.335 -2.948) 5.507 15.299 ( 7.885 1.054 -3.037) 8.515 16.005 ( -7.656 -4.903 8.302) 12.311 17.836 ( 5.848 -1.293 -1.148) 6.099 18.012 ( -4.779 -11.507 -1.310) 12.529 ======================= Grid point 608 (295/320) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.000 17.860 0.000) 17.860 2.507 ( 0.000 21.501 -0.000) 21.501 2.767 ( 0.000 -2.759 0.000) 2.759 3.608 ( -0.000 2.935 0.000) 2.935 3.866 ( 0.000 3.835 -0.000) 3.835 4.995 ( -0.000 3.986 0.000) 3.986 5.089 ( -0.000 7.168 0.000) 7.168 5.517 ( 0.000 8.131 0.000) 8.131 5.743 ( -0.000 16.031 0.000) 16.031 5.845 ( 0.000 6.175 0.000) 6.175 6.128 ( -0.000 -1.380 0.000) 1.380 6.201 ( -0.000 0.575 0.000) 0.575 6.749 ( 0.000 -6.038 0.000) 6.038 7.252 ( -0.000 20.848 0.000) 20.848 7.411 ( -0.000 3.261 0.000) 3.261 7.427 ( 0.000 13.458 0.000) 13.458 7.787 ( -0.000 3.839 0.000) 3.839 7.847 ( 0.000 -2.510 0.000) 2.510 8.312 ( 0.000 -15.275 0.000) 15.275 9.407 ( -0.000 -0.977 0.000) 0.977 9.808 ( -0.000 -0.383 0.000) 0.383 10.442 ( -0.000 19.665 0.000) 19.665 10.912 ( -0.000 10.365 -0.000) 10.365 10.958 ( 0.000 -1.718 0.000) 1.718 11.248 ( -0.000 0.209 0.000) 0.209 11.684 ( 0.000 -1.221 0.000) 1.221 13.443 ( -0.000 0.614 -0.000) 0.614 13.498 ( 0.000 -3.962 0.000) 3.962 13.756 ( 0.000 2.504 0.000) 2.504 15.324 ( -0.000 -0.341 0.000) 0.341 16.051 ( -0.000 -2.671 0.000) 2.671 17.845 ( 0.000 1.246 -0.000) 1.246 18.237 ( -0.000 -12.956 0.000) 12.956 ======================= Grid point 612 (296/320) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 19.472 -0.000 -9.357) 21.603 2.480 ( 24.193 -0.000 -17.017) 29.579 2.956 ( -1.337 0.000 0.206) 1.353 3.236 ( -0.243 0.000 -0.911) 0.943 4.225 ( 11.367 -0.000 1.068) 11.417 4.705 ( -8.088 0.000 -2.829) 8.569 4.843 ( -5.806 0.000 1.690) 6.047 5.050 ( -2.408 0.000 -1.273) 2.724 5.212 ( -3.756 0.000 6.237) 7.281 5.693 ( -3.614 0.000 -16.774) 17.159 5.922 ( -8.867 0.000 -9.223) 12.794 6.326 ( -6.270 0.000 13.477) 14.864 6.687 ( 8.020 -0.000 7.303) 10.847 7.002 ( 2.378 -0.000 2.017) 3.119 7.037 ( -10.640 0.000 -3.477) 11.193 7.205 ( -8.666 0.000 -0.711) 8.695 7.573 ( -1.472 0.000 -9.382) 9.497 8.225 ( 3.881 -0.000 15.635) 16.109 8.608 ( -0.820 0.000 1.410) 1.632 9.484 ( 3.182 -0.000 1.250) 3.419 9.646 ( 6.159 -0.000 -1.482) 6.334 9.859 ( 0.720 -0.000 0.896) 1.150 10.934 ( 0.269 -0.000 -0.221) 0.348 11.244 ( 1.082 -0.000 0.285) 1.119 11.394 ( 14.855 -0.000 7.172) 16.496 11.685 ( -1.440 0.000 0.853) 1.674 13.167 ( -6.972 0.000 -4.033) 8.055 13.626 ( 1.443 -0.000 -0.198) 1.457 13.897 ( 3.074 -0.000 3.555) 4.699 14.998 ( -12.775 0.000 3.292) 13.193 16.408 ( 20.100 -0.000 -24.919) 32.015 17.734 ( -4.266 0.000 3.229) 5.350 18.539 ( -4.500 0.000 12.842) 13.608 ======================= Grid point 613 (297/320) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 17.982 8.808 -9.266) 22.063 2.599 ( 10.159 -1.643 -20.692) 23.110 3.048 ( 17.035 -4.217 3.135) 17.826 3.335 ( 1.050 -8.966 2.449) 9.353 4.234 ( 2.643 3.161 1.789) 4.492 4.793 ( -5.663 -4.783 1.704) 7.606 4.868 ( -3.655 -13.271 -1.966) 13.905 5.001 ( -1.789 -3.037 -3.938) 5.285 5.461 ( -5.971 -18.808 4.881) 20.328 5.610 ( -3.078 -0.487 -16.122) 16.420 5.797 ( -7.984 3.001 -6.814) 10.917 6.326 ( -5.706 -2.418 14.213) 15.505 6.802 ( 1.128 1.232 4.015) 4.349 6.929 ( 2.781 -5.084 -7.507) 9.484 7.008 ( -10.861 -0.010 -1.027) 10.910 7.325 ( -2.708 -15.029 3.425) 15.650 7.585 ( -1.625 -5.393 -5.792) 8.079 8.225 ( 3.147 5.186 9.779) 11.508 8.552 ( -0.190 5.719 4.336) 7.179 9.469 ( 2.119 4.395 1.572) 5.126 9.856 ( 1.185 -1.236 0.254) 1.731 9.944 ( 2.735 -21.909 1.436) 22.126 10.883 ( 0.731 5.702 0.214) 5.753 11.248 ( 1.116 0.506 0.781) 1.453 11.377 ( 2.738 9.370 4.542) 10.767 11.827 ( 12.110 -8.846 6.483) 16.338 13.117 ( -6.630 -0.888 -3.735) 7.661 13.610 ( 1.421 2.629 -0.383) 3.013 13.924 ( -0.400 -1.078 1.178) 1.647 14.931 ( -8.332 -0.664 4.696) 9.588 16.457 ( 17.599 3.434 -27.187) 32.568 17.712 ( -4.013 0.337 5.035) 6.448 18.478 ( -4.185 5.820 11.821) 13.825 ======================= Grid point 614 (298/320) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 12.705 -4.506 -5.741) 14.651 2.718 ( 11.282 -8.677 -11.229) 18.129 3.216 ( 6.047 -3.636 -3.660) 7.949 3.611 ( 9.415 -12.957 7.845) 17.835 4.232 ( 0.888 -1.316 4.232) 4.520 4.766 ( -7.557 -0.100 2.033) 7.826 5.072 ( 1.180 -6.264 -2.186) 6.738 5.204 ( -0.062 -18.269 -9.322) 20.510 5.567 ( -6.346 -4.125 -8.115) 11.097 5.660 ( -8.600 -3.832 -3.689) 10.112 5.799 ( -2.435 -13.308 -1.784) 13.646 6.411 ( -6.128 -7.388 11.082) 14.662 6.737 ( 0.084 5.517 -4.819) 7.326 6.895 ( -7.223 -0.919 -0.684) 7.313 7.105 ( 0.818 -6.942 -6.864) 9.797 7.609 ( -2.480 -14.327 5.417) 15.516 7.745 ( 1.816 -11.297 0.539) 11.455 8.195 ( 0.673 -0.430 3.782) 3.866 8.441 ( 3.287 8.072 6.332) 10.773 9.361 ( -0.633 8.121 0.375) 8.154 9.858 ( 0.569 0.506 0.207) 0.789 10.448 ( -0.590 -26.538 3.308) 26.750 10.743 ( 1.441 9.938 1.155) 10.109 11.192 ( -2.415 6.125 3.307) 7.368 11.289 ( -1.445 -1.049 1.467) 2.311 12.140 ( 16.967 -8.476 11.055) 21.953 13.063 ( -6.612 0.345 -3.539) 7.508 13.561 ( 1.001 2.947 -0.885) 3.236 13.935 ( -3.343 -1.754 -1.083) 3.928 14.925 ( -3.523 -2.100 7.362) 8.427 16.399 ( 12.847 7.849 -27.102) 31.003 17.680 ( -3.417 1.715 6.509) 7.549 18.345 ( -2.128 7.924 7.636) 11.208 ======================= Grid point 615 (299/320) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 7.374 -13.696 -2.158) 15.704 3.009 ( 12.286 -11.262 -2.317) 16.827 3.331 ( 3.913 -8.630 -4.920) 10.677 3.933 ( 2.798 -13.146 7.916) 15.599 4.324 ( 3.979 -5.282 4.825) 8.186 4.724 ( -7.645 -2.007 2.781) 8.379 5.174 ( 0.977 -3.544 -0.673) 3.737 5.392 ( 0.553 -3.160 -10.662) 11.134 5.578 ( -3.590 -5.839 -6.341) 9.338 5.754 ( -7.410 -11.179 0.168) 13.413 6.075 ( -4.007 -17.354 -3.166) 18.090 6.526 ( -3.914 -0.678 -2.996) 4.975 6.620 ( -0.082 -4.175 -2.095) 4.672 6.897 ( -2.807 -1.151 6.517) 7.188 7.173 ( -1.565 -4.296 -10.559) 11.506 7.803 ( -3.225 -4.780 10.911) 12.341 7.903 ( 2.351 -3.400 -1.048) 4.265 8.290 ( 6.574 -0.461 0.215) 6.594 8.421 ( 1.744 -7.325 6.399) 9.881 9.164 ( -4.087 10.286 -1.031) 11.116 9.853 ( 0.073 0.315 -0.297) 0.438 10.550 ( 2.410 12.040 1.694) 12.395 10.852 ( 0.781 -12.372 0.690) 12.416 11.146 ( -7.584 -7.457 6.072) 12.248 11.328 ( 0.132 -2.884 0.779) 2.991 12.417 ( 13.605 -3.925 12.583) 18.943 12.983 ( -5.961 1.602 -3.758) 7.226 13.531 ( -0.067 -0.095 -1.752) 1.756 13.942 ( -4.212 -3.004 -1.794) 5.476 14.995 ( -0.013 -4.309 10.435) 11.290 16.222 ( 7.728 12.195 -24.677) 28.590 17.629 ( -2.571 2.915 6.466) 7.545 18.202 ( -0.371 7.783 3.019) 8.356 ======================= Grid point 616 (300/320) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 3.941 -13.336 -2.125) 14.067 3.180 ( 2.472 -1.662 2.440) 3.850 3.657 ( 12.679 -18.151 -4.843) 22.664 4.150 ( -3.776 -7.539 9.629) 12.799 4.526 ( 8.163 -10.152 1.462) 13.109 4.754 ( -6.206 -5.862 3.568) 9.253 5.201 ( -2.300 0.660 1.542) 2.847 5.391 ( 0.868 -0.973 -6.067) 6.205 5.657 ( -4.576 -6.825 -7.402) 11.060 5.886 ( -4.211 -6.597 3.915) 8.750 6.189 ( -11.566 -1.531 -6.677) 13.442 6.447 ( 0.907 2.163 -2.311) 3.293 6.842 ( 5.739 -6.930 -3.511) 9.659 6.967 ( 5.119 -7.524 2.438) 9.421 7.265 ( -6.772 -14.661 -5.830) 17.170 7.793 ( 2.576 5.990 6.116) 8.940 7.926 ( -2.387 1.721 1.628) 3.363 8.353 ( 1.338 -5.090 3.044) 6.080 8.596 ( 6.075 0.658 -0.986) 6.189 8.983 ( -5.912 1.116 1.093) 6.114 9.846 ( -0.400 0.082 -1.121) 1.193 10.336 ( 3.296 13.764 3.024) 14.473 10.946 ( -4.117 -3.378 -0.226) 5.330 11.357 ( -1.156 -10.703 5.588) 12.130 11.400 ( 0.342 -6.274 -1.251) 6.407 12.525 ( 7.438 4.912 10.549) 13.811 12.917 ( -3.140 -0.224 -3.414) 4.644 13.545 ( -2.708 -2.409 -2.841) 4.606 13.996 ( -2.296 -6.181 -0.685) 6.629 15.138 ( 1.499 -6.873 13.241) 14.993 15.952 ( 4.211 14.493 -21.240) 26.056 17.571 ( -2.179 2.710 4.757) 5.892 18.067 ( 0.503 7.065 0.191) 7.086 ======================= Grid point 617 (301/320) ======================= q-point: ( 0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 2.247 -8.074 -3.987) 9.280 3.185 ( -1.021 1.609 1.775) 2.604 4.035 ( 9.453 -9.355 2.904) 13.613 4.244 ( 1.244 -3.770 6.188) 7.352 4.757 ( 3.142 -5.149 -0.565) 6.058 4.860 ( 0.645 -7.851 0.961) 7.935 5.131 ( -5.837 2.373 3.354) 7.138 5.383 ( -2.093 1.650 -6.857) 7.356 5.742 ( -6.741 -9.832 -4.261) 12.659 5.957 ( -0.105 -2.165 2.394) 3.230 6.105 ( -5.694 -1.113 -3.077) 6.567 6.388 ( -2.022 1.645 1.642) 3.081 6.908 ( 7.394 2.701 -3.203) 8.499 7.163 ( 4.930 -7.040 -0.771) 8.629 7.553 ( -2.913 -7.859 -1.194) 8.466 7.746 ( -0.278 -7.023 5.823) 9.127 7.850 ( -0.248 2.302 -4.472) 5.036 8.372 ( -0.606 10.272 -0.245) 10.293 8.593 ( -0.156 -8.479 1.051) 8.545 9.003 ( -0.651 0.011 1.581) 1.710 9.837 ( -0.288 0.197 -2.010) 2.040 10.122 ( 3.101 11.925 3.701) 12.866 10.973 ( -4.813 -3.626 0.114) 6.027 11.433 ( 1.556 -0.470 2.387) 2.888 11.608 ( 0.253 -11.434 -2.457) 11.698 12.418 ( 2.619 11.983 6.273) 13.777 12.941 ( 0.644 -3.789 -0.838) 3.934 13.547 ( -4.766 -1.693 -2.586) 5.680 14.105 ( -0.517 -5.227 -0.676) 5.296 15.334 ( 0.785 -8.470 15.847) 17.985 15.670 ( 3.491 12.094 -18.307) 22.217 17.528 ( -2.061 0.965 2.256) 3.204 17.953 ( 0.679 5.448 -0.541) 5.517 ======================= Grid point 618 (302/320) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 1.361 -0.532 -4.608) 4.835 3.128 ( -1.552 3.489 0.482) 3.849 4.082 ( 4.301 9.394 13.731) 17.184 4.365 ( 1.601 -2.973 -5.185) 6.187 4.680 ( -2.269 13.268 1.601) 13.555 4.923 ( 0.062 1.482 -2.995) 3.342 5.174 ( -0.316 -6.938 1.694) 7.149 5.329 ( -0.237 -2.907 -4.478) 5.344 5.858 ( -8.523 -8.597 -2.798) 12.425 6.012 ( 4.344 -3.178 -2.432) 5.906 6.122 ( -3.063 -2.880 3.620) 5.548 6.453 ( 0.298 -8.217 1.470) 8.352 6.873 ( 5.413 4.594 2.180) 7.427 7.238 ( 0.970 4.660 -1.620) 5.028 7.469 ( -0.789 3.966 0.422) 4.066 7.776 ( -0.373 0.803 -1.631) 1.855 8.082 ( 2.376 -3.273 0.049) 4.045 8.174 ( -3.133 -3.963 -1.212) 5.195 8.797 ( 1.116 -8.672 0.421) 8.753 8.896 ( -1.424 8.927 1.290) 9.131 9.816 ( 0.068 1.619 -2.357) 2.860 9.992 ( 1.207 3.947 2.580) 4.868 11.017 ( -2.369 -4.103 0.129) 4.739 11.430 ( 1.055 2.286 1.498) 2.930 11.787 ( 0.715 -7.957 -4.664) 9.251 12.185 ( 0.198 14.859 3.305) 15.223 13.052 ( 2.374 -6.432 1.340) 6.986 13.525 ( -4.401 -0.344 -1.342) 4.614 14.127 ( -0.822 2.462 -2.051) 3.308 15.442 ( 3.016 5.173 0.571) 6.015 15.583 ( 0.443 -7.856 1.099) 7.945 17.526 ( -1.050 -2.076 -0.159) 2.332 17.879 ( -0.004 2.551 -0.030) 2.551 ======================= Grid point 619 (303/320) ======================= q-point: (-0.25 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.129 7.274 -2.757) 7.860 3.036 ( -1.045 5.343 -0.359) 5.456 3.870 ( 1.826 19.014 8.912) 21.078 4.282 ( 0.217 9.609 -10.245) 14.048 4.319 ( -4.965 19.318 4.909) 20.541 4.937 ( 0.357 -3.483 0.373) 3.521 5.222 ( 1.004 1.027 -1.257) 1.909 5.496 ( 2.708 -10.846 0.607) 11.195 5.933 ( -2.888 -5.425 -2.715) 6.719 6.124 ( 2.972 -2.775 -3.352) 5.270 6.158 ( -2.440 -4.185 5.018) 6.975 6.519 ( -1.267 4.283 1.461) 4.699 6.947 ( 5.533 2.586 2.862) 6.745 7.013 ( -2.060 3.408 -1.079) 4.126 7.478 ( -0.315 -3.409 -3.202) 4.688 7.763 ( -0.423 1.233 0.550) 1.415 7.963 ( 0.383 4.659 1.200) 4.826 8.340 ( -0.416 -1.477 -1.165) 1.926 8.582 ( -0.120 18.428 1.096) 18.461 9.024 ( 0.327 -10.481 -0.310) 10.491 9.781 ( -0.429 0.655 -1.257) 1.481 10.018 ( -0.138 -5.883 0.508) 5.906 11.077 ( -0.016 -2.463 0.191) 2.470 11.382 ( 0.550 3.536 0.638) 3.635 11.858 ( 4.306 3.802 -4.690) 7.415 11.923 ( -4.838 9.116 2.039) 10.520 13.207 ( 2.454 -7.126 2.047) 7.810 13.482 ( -2.579 1.787 -0.806) 3.240 14.016 ( -1.209 6.577 -2.017) 6.985 15.384 ( 4.582 3.235 -3.293) 6.504 15.751 ( -2.698 -8.439 5.995) 10.697 17.599 ( 0.868 -6.261 -1.310) 6.456 17.854 ( -1.163 -0.069 0.473) 1.257 ======================= Grid point 620 (304/320) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 0.000 14.301 0.000) 14.301 2.908 ( 0.000 7.833 -0.000) 7.833 3.473 ( 0.000 24.224 -0.000) 24.224 3.918 ( -0.000 17.632 0.000) 17.632 4.116 ( 0.000 8.643 -0.000) 8.643 5.012 ( -0.000 -3.189 0.000) 3.189 5.191 ( 0.000 1.716 0.000) 1.716 5.701 ( 0.000 -8.647 0.000) 8.647 6.000 ( -0.000 -2.922 0.000) 2.922 6.023 ( 0.000 11.245 -0.000) 11.245 6.308 ( 0.000 -6.659 0.000) 6.659 6.381 ( -0.000 7.996 0.000) 7.996 6.628 ( -0.000 15.862 0.000) 15.862 7.284 ( 0.000 -14.395 0.000) 14.395 7.534 ( -0.000 -2.600 0.000) 2.600 7.743 ( -0.000 -1.319 0.000) 1.319 7.945 ( -0.000 -0.955 0.000) 0.955 8.144 ( 0.000 18.937 0.000) 18.937 8.254 ( 0.000 17.069 0.000) 17.069 9.213 ( 0.000 -9.227 0.000) 9.227 9.782 ( -0.000 -0.708 0.000) 0.708 10.201 ( 0.000 -12.653 0.000) 12.653 11.071 ( 0.000 3.758 0.000) 3.758 11.320 ( -0.000 3.286 0.000) 3.286 11.709 ( -0.000 5.973 0.000) 5.973 11.768 ( 0.000 12.911 0.000) 12.911 13.346 ( -0.000 -5.703 -0.000) 5.703 13.431 ( 0.000 1.549 0.000) 1.549 13.894 ( 0.000 5.150 0.000) 5.150 15.354 ( -0.000 2.017 0.000) 2.017 15.883 ( 0.000 -6.404 0.000) 6.404 17.763 ( 0.000 -10.596 0.000) 10.596 17.856 ( 0.000 -0.568 0.000) 0.568 ======================= Grid point 626 (305/320) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 20.485 -0.000 -11.204) 23.349 2.611 ( 10.006 -0.000 -22.656) 24.767 3.158 ( 15.787 -0.000 3.271) 16.122 3.261 ( 8.826 -0.000 2.396) 9.145 4.264 ( -7.530 0.000 -0.360) 7.539 4.561 ( -8.190 0.000 -1.955) 8.420 4.836 ( 3.869 -0.000 3.495) 5.214 5.013 ( -1.451 0.000 -1.291) 1.942 5.165 ( -5.658 0.000 4.187) 7.039 5.537 ( -3.824 0.000 -17.978) 18.380 5.766 ( -4.996 0.000 -8.508) 9.866 6.305 ( -6.144 0.000 15.895) 17.041 6.806 ( -10.648 0.000 6.872) 12.673 6.868 ( 5.217 -0.000 -4.294) 6.757 6.953 ( -10.460 0.000 -0.357) 10.466 7.129 ( 0.333 -0.000 -0.496) 0.597 7.506 ( -1.631 0.000 -6.914) 7.104 8.332 ( 1.124 -0.000 8.865) 8.936 8.609 ( -1.045 0.000 5.202) 5.306 9.544 ( 3.264 -0.000 1.559) 3.617 9.736 ( 6.168 -0.000 -1.599) 6.371 9.882 ( 1.533 -0.000 1.350) 2.043 10.942 ( 0.808 -0.000 -0.085) 0.813 11.255 ( 0.105 -0.000 0.656) 0.664 11.558 ( -0.744 0.000 1.958) 2.094 11.817 ( 17.150 -0.000 11.099) 20.429 13.053 ( -5.135 0.000 -3.508) 6.219 13.648 ( 1.498 -0.000 -0.287) 1.526 13.893 ( -4.121 0.000 -2.259) 4.699 14.892 ( -3.823 0.000 6.250) 7.327 16.545 ( 15.300 -0.000 -28.692) 32.516 17.707 ( -1.808 0.000 6.175) 6.434 18.523 ( -6.394 0.000 12.913) 14.410 ======================= Grid point 627 (306/320) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 18.742 11.198 -9.917) 23.979 2.662 ( 12.501 -3.538 -16.383) 20.910 3.213 ( 2.940 -0.467 -1.905) 3.535 3.522 ( 17.514 -8.563 6.663) 20.603 4.178 ( -10.046 -1.263 1.028) 10.177 4.650 ( -7.834 -10.965 -1.562) 13.566 4.910 ( 3.743 -5.591 1.654) 6.929 4.982 ( 1.612 -2.516 -1.409) 3.304 5.354 ( -9.720 -14.096 1.413) 17.180 5.488 ( -0.643 -4.420 -15.266) 15.906 5.675 ( -3.588 2.331 -6.707) 7.955 6.309 ( -6.069 -1.547 15.214) 16.453 6.739 ( -8.999 -0.648 -5.281) 10.454 6.857 ( -5.271 -0.102 1.524) 5.488 6.986 ( 4.876 -5.957 -3.452) 8.436 7.293 ( -3.521 -15.806 3.985) 16.677 7.530 ( -2.520 -6.563 -2.861) 7.590 8.289 ( 1.245 5.691 2.797) 6.462 8.583 ( -0.041 3.691 7.329) 8.207 9.510 ( 1.939 6.152 1.640) 6.656 9.865 ( 0.965 -1.149 -1.634) 2.218 10.011 ( 3.735 -18.364 3.123) 18.998 10.901 ( 1.326 5.196 0.315) 5.372 11.259 ( -0.546 -0.204 0.915) 1.085 11.388 ( -1.971 12.282 1.930) 12.588 12.124 ( 17.040 -10.211 12.689) 23.572 13.011 ( -4.514 -0.138 -3.230) 5.552 13.626 ( 0.824 3.057 -0.701) 3.243 13.858 ( -5.956 -1.662 -4.601) 7.707 14.904 ( -0.140 -0.976 8.148) 8.208 16.535 ( 11.134 4.223 -27.626) 30.083 17.709 ( -0.045 1.076 6.660) 6.747 18.459 ( -5.787 4.635 10.368) 12.746 ======================= Grid point 628 (307/320) ======================= q-point: ( 0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 14.385 -0.249 -6.105) 15.629 2.888 ( 16.789 -11.324 -7.894) 21.736 3.243 ( 1.107 -2.463 -2.514) 3.689 3.780 ( 4.757 -8.003 8.331) 12.493 4.187 ( -9.417 -7.041 1.719) 11.883 4.713 ( 0.553 0.598 3.123) 3.228 5.076 ( 1.071 -8.265 -3.321) 8.972 5.187 ( 0.846 -16.387 -3.361) 16.750 5.411 ( -5.852 -5.267 -10.043) 12.761 5.553 ( -4.194 -2.374 -0.140) 4.821 5.752 ( -0.749 -14.306 -6.323) 15.659 6.363 ( -6.735 -6.035 9.206) 12.905 6.616 ( -6.914 3.094 -7.317) 10.531 6.893 ( 1.059 -1.304 5.858) 6.094 7.094 ( 3.062 -3.688 -10.620) 11.651 7.571 ( -6.724 -13.715 8.412) 17.438 7.765 ( 0.333 -18.941 0.743) 18.958 8.214 ( 0.771 1.646 0.589) 1.911 8.520 ( 2.489 5.679 5.514) 8.298 9.356 ( -0.269 11.204 0.384) 11.214 9.863 ( 0.182 0.717 -0.539) 0.916 10.471 ( 1.189 -25.123 3.165) 25.350 10.777 ( 2.076 9.236 1.240) 9.547 11.135 ( -6.088 8.507 2.421) 10.737 11.296 ( 1.214 -1.218 0.830) 1.910 12.453 ( 14.183 -7.464 13.149) 20.731 12.961 ( -4.163 1.128 -3.066) 5.292 13.557 ( -0.869 3.384 -1.931) 3.992 13.843 ( -5.241 -2.722 -4.745) 7.575 14.968 ( 2.048 -2.531 9.737) 10.267 16.414 ( 6.812 8.900 -24.159) 26.632 17.693 ( 0.505 2.887 6.226) 6.881 18.335 ( -3.657 6.581 5.828) 9.521 ======================= Grid point 629 (308/320) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 8.380 -9.599 -3.251) 13.150 3.164 ( 5.379 -3.900 1.526) 6.817 3.417 ( 13.176 -15.857 -5.832) 21.426 3.972 ( -2.930 -9.886 9.002) 13.688 4.297 ( -10.519 -12.501 1.572) 16.413 4.723 ( 5.372 0.658 3.564) 6.480 5.178 ( -0.415 -2.346 -0.100) 2.385 5.364 ( 1.805 -2.077 -7.415) 7.910 5.496 ( -3.159 -7.775 -4.776) 9.656 5.650 ( -5.501 -13.167 -0.624) 14.283 5.987 ( -5.055 -10.394 -3.289) 12.017 6.423 ( -3.187 -3.706 -6.250) 7.934 6.629 ( 0.535 -11.381 0.938) 11.432 6.917 ( -0.990 -0.102 8.332) 8.391 7.127 ( 3.023 -1.407 -12.293) 12.737 7.764 ( -7.790 -10.449 10.132) 16.508 7.955 ( 3.679 2.488 0.135) 4.443 8.379 ( 4.976 -9.241 -0.666) 10.517 8.463 ( 0.184 -3.865 4.358) 5.828 9.103 ( -3.041 13.810 -0.918) 14.170 9.847 ( -0.379 0.664 -0.669) 1.016 10.605 ( 3.270 11.349 1.827) 11.951 10.865 ( 0.639 -7.218 -1.066) 7.324 11.055 ( -7.171 -12.059 5.296) 14.996 11.351 ( 1.588 -2.949 0.998) 3.495 12.658 ( 8.484 -0.624 11.642) 14.419 12.897 ( -2.352 1.347 -3.145) 4.152 13.495 ( -2.786 0.709 -3.143) 4.260 13.865 ( -3.085 -4.784 -3.062) 6.464 15.081 ( 2.757 -4.632 10.684) 11.967 16.189 ( 3.566 12.993 -19.406) 23.625 17.641 ( -0.084 4.232 4.821) 6.416 18.198 ( -1.536 6.835 1.914) 7.262 ======================= Grid point 630 (309/320) ======================= q-point: ( 0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 3.802 -10.699 -2.660) 11.662 3.200 ( -0.674 0.283 1.763) 1.908 3.861 ( 15.151 -16.927 -3.264) 22.951 4.154 ( -2.515 -9.158 8.959) 13.056 4.495 ( -9.768 -16.519 1.409) 19.243 4.804 ( 7.992 -2.866 1.021) 8.552 5.155 ( -4.457 2.815 1.570) 5.501 5.382 ( 1.679 -0.138 -4.900) 5.181 5.556 ( -4.129 -4.564 -3.934) 7.304 5.855 ( -1.904 -9.548 2.421) 10.033 6.004 ( -7.611 -2.095 -4.302) 8.990 6.443 ( 0.191 2.122 -1.717) 2.736 6.904 ( 4.843 -7.204 -2.026) 8.914 7.050 ( 0.304 -17.964 3.244) 18.257 7.166 ( 0.054 -6.327 -6.496) 9.068 7.852 ( 1.018 3.924 3.929) 5.646 7.890 ( -2.667 1.277 2.150) 3.656 8.374 ( 0.072 -0.800 1.348) 1.569 8.685 ( 5.877 5.422 -0.985) 8.056 8.898 ( -5.512 -4.905 0.904) 7.433 9.832 ( -0.515 0.219 -1.018) 1.162 10.402 ( 2.874 13.509 2.339) 14.008 10.876 ( -3.942 -2.161 -0.572) 4.532 11.355 ( -0.970 -15.196 2.382) 15.412 11.425 ( 1.738 -3.145 0.329) 3.608 12.645 ( 2.022 8.008 6.192) 10.323 12.892 ( 1.373 -1.617 -0.869) 2.292 13.470 ( -3.970 -1.534 -3.052) 5.238 13.966 ( -0.871 -7.855 -1.040) 7.971 15.236 ( 2.057 -6.824 10.540) 12.724 15.902 ( 1.890 14.563 -14.410) 20.574 17.569 ( -0.864 3.881 2.731) 4.824 18.069 ( -0.186 6.495 0.056) 6.498 ======================= Grid point 631 (310/320) ======================= q-point: ( 0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 1.227 -6.799 -2.135) 7.231 3.173 ( -0.933 2.127 0.833) 2.467 4.181 ( 5.710 -8.028 4.087) 10.666 4.293 ( 1.155 -3.197 0.866) 3.508 4.728 ( -3.136 -9.888 1.111) 10.433 4.936 ( 7.364 -4.219 -3.625) 9.228 5.040 ( -7.895 2.455 3.717) 9.065 5.339 ( 0.476 3.205 -3.533) 4.794 5.633 ( -4.206 -7.869 -1.631) 9.070 5.978 ( 1.744 -4.083 0.391) 4.457 6.027 ( -3.293 -5.070 -0.290) 6.053 6.374 ( -0.601 1.372 0.531) 1.589 6.976 ( 2.641 1.039 -1.164) 3.068 7.222 ( 2.408 -3.636 -0.568) 4.397 7.509 ( -1.452 -14.850 -0.665) 14.936 7.773 ( 0.046 -3.301 3.543) 4.842 7.826 ( -0.136 4.044 -2.817) 4.931 8.364 ( -0.301 10.405 -0.101) 10.410 8.593 ( -0.245 -7.434 0.591) 7.461 9.002 ( -0.243 -0.705 0.536) 0.918 9.826 ( -0.082 0.026 -0.856) 0.860 10.175 ( 1.429 12.368 1.545) 12.546 10.914 ( -2.243 -4.420 -0.085) 4.957 11.465 ( 0.885 -0.156 1.383) 1.650 11.599 ( 0.052 -11.018 -1.436) 11.112 12.467 ( 0.703 12.984 2.407) 13.224 12.958 ( 1.067 -4.593 0.101) 4.716 13.471 ( -2.653 -1.810 -1.387) 3.498 14.096 ( -0.168 -5.162 -0.491) 5.188 15.414 ( 0.212 -8.231 9.224) 12.364 15.633 ( 1.713 11.335 -9.912) 15.154 17.512 ( -0.821 1.522 0.804) 1.907 17.957 ( 0.177 5.327 -0.191) 5.334 ======================= Grid point 632 (311/320) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -0.000 -0.337 0.000) 0.337 3.116 ( 0.000 3.671 0.000) 3.671 4.197 ( 0.000 11.720 0.000) 11.720 4.322 ( -0.000 -1.662 0.000) 1.662 4.666 ( -0.000 14.105 0.000) 14.105 4.911 ( 0.000 1.811 -0.000) 1.811 5.179 ( -0.000 -9.326 0.000) 9.326 5.328 ( -0.000 -4.227 0.000) 4.227 5.770 ( 0.000 -8.882 0.000) 8.882 6.056 ( -0.000 -3.399 0.000) 3.399 6.092 ( 0.000 -3.563 0.000) 3.563 6.461 ( -0.000 -8.748 0.000) 8.748 6.924 ( -0.000 3.780 0.000) 3.780 7.241 ( 0.000 5.559 0.000) 5.559 7.463 ( -0.000 4.998 0.000) 4.998 7.769 ( -0.000 0.764 0.000) 0.764 8.121 ( -0.000 -19.970 0.000) 19.970 8.126 ( 0.000 11.871 0.000) 11.871 8.810 ( 0.000 -12.388 -0.000) 12.388 8.885 ( 0.000 12.367 0.000) 12.367 9.810 ( 0.000 1.823 0.000) 1.823 10.009 ( 0.000 4.901 0.000) 4.901 10.998 ( 0.000 -5.077 0.000) 5.077 11.445 ( -0.000 2.577 0.000) 2.577 11.776 ( -0.000 -7.956 0.000) 7.956 12.198 ( 0.000 15.899 0.000) 15.899 13.078 ( -0.000 -7.321 0.000) 7.321 13.483 ( 0.000 -0.486 0.000) 0.486 14.114 ( 0.000 3.180 0.000) 3.180 15.470 ( -0.000 5.511 0.000) 5.511 15.589 ( 0.000 -8.771 0.000) 8.771 17.516 ( -0.000 -2.363 0.000) 2.363 17.879 ( 0.000 2.912 0.000) 2.912 ======================= Grid point 640 (312/320) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 16.307 -0.000 -10.430) 19.357 2.686 ( 14.092 -0.000 -16.302) 21.549 3.216 ( 0.657 -0.000 -1.229) 1.394 3.627 ( 21.801 -0.000 5.672) 22.527 4.054 ( -15.375 0.000 -0.951) 15.405 4.451 ( -4.771 0.000 0.077) 4.772 4.920 ( 0.851 -0.000 3.323) 3.430 5.003 ( 1.751 -0.000 -0.028) 1.751 5.088 ( -5.501 0.000 1.145) 5.619 5.423 ( 1.418 -0.000 -16.280) 16.342 5.665 ( -3.297 0.000 -6.535) 7.320 6.304 ( -5.030 0.000 15.970) 16.743 6.602 ( -12.442 0.000 -1.443) 12.525 6.765 ( -11.301 0.000 -1.733) 11.433 6.982 ( 5.206 -0.000 2.080) 5.606 7.142 ( 1.432 -0.000 -1.197) 1.866 7.446 ( -2.537 0.000 -3.746) 4.525 8.361 ( 0.068 -0.000 1.041) 1.043 8.627 ( -1.415 0.000 7.928) 8.053 9.596 ( 2.346 -0.000 1.542) 2.808 9.814 ( 4.771 -0.000 -1.387) 4.968 9.920 ( 2.098 -0.000 1.800) 2.764 10.958 ( 1.398 -0.000 -0.086) 1.400 11.252 ( -1.035 0.000 0.654) 1.224 11.523 ( -2.846 0.000 0.410) 2.875 12.169 ( 16.660 -0.000 14.584) 22.142 12.974 ( -2.647 0.000 -2.969) 3.977 13.668 ( 1.205 -0.000 -0.326) 1.248 13.769 ( -7.465 0.000 -6.931) 10.186 14.925 ( 1.809 -0.000 8.542) 8.732 16.579 ( 7.859 -0.000 -25.267) 26.461 17.749 ( 2.790 -0.000 5.944) 6.566 18.478 ( -7.124 0.000 10.137) 12.390 ======================= Grid point 641 (313/320) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 13.991 10.711 -7.736) 19.244 2.828 ( 17.966 -6.523 -11.270) 22.189 3.220 ( 0.316 -0.464 -1.413) 1.521 3.750 ( -0.350 -1.577 7.607) 7.777 4.004 ( -5.738 -2.858 -1.156) 6.513 4.581 ( -0.989 -14.008 -0.301) 14.046 4.939 ( -0.457 -1.775 1.512) 2.376 5.022 ( 2.390 -3.950 -0.420) 4.636 5.229 ( -4.817 -11.649 0.014) 12.606 5.433 ( 2.023 -5.039 -11.155) 12.406 5.600 ( -2.097 1.069 -5.742) 6.205 6.300 ( -4.755 0.076 12.586) 13.455 6.568 ( -7.906 -0.878 -5.086) 9.442 6.791 ( -4.628 -11.838 1.867) 12.846 7.023 ( 1.938 -1.546 -4.376) 5.029 7.274 ( -1.193 -12.461 3.612) 13.028 7.476 ( -3.095 -7.410 -0.911) 8.082 8.310 ( 1.025 4.959 -0.606) 5.100 8.616 ( -0.560 2.212 6.319) 6.718 9.544 ( 1.331 7.353 1.297) 7.584 9.873 ( 1.012 -0.216 -1.541) 1.856 10.080 ( 2.895 -16.626 2.758) 17.100 10.927 ( 1.825 4.631 0.247) 4.984 11.235 ( -2.883 2.125 0.696) 3.648 11.371 ( -0.718 10.009 0.836) 10.069 12.430 ( 12.364 -9.043 12.946) 20.056 12.947 ( -1.642 0.622 -2.583) 3.123 13.614 ( -2.048 4.052 -2.849) 5.360 13.740 ( -4.105 -2.748 -4.807) 6.893 14.976 ( 2.563 -1.267 8.289) 8.768 16.525 ( 4.670 4.509 -20.582) 21.581 17.772 ( 3.476 2.059 4.777) 6.256 18.412 ( -5.842 3.690 7.060) 9.879 ======================= Grid point 642 (314/320) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 9.616 1.841 -4.205) 10.656 3.120 ( 12.770 -8.324 -2.276) 15.412 3.268 ( 7.825 -7.061 -4.088) 11.305 3.799 ( -10.743 -7.291 7.862) 15.179 4.021 ( -7.271 -5.407 -0.585) 9.080 4.792 ( 5.911 -1.717 2.472) 6.633 5.051 ( -4.311 -15.018 -1.504) 15.697 5.160 ( -1.188 -9.161 -0.579) 9.255 5.332 ( 1.246 -3.110 -7.090) 7.841 5.521 ( -0.536 -1.392 1.071) 1.836 5.712 ( -0.166 -16.141 -5.789) 17.148 6.302 ( -4.504 -2.353 2.314) 5.583 6.514 ( -3.173 -1.621 -0.933) 3.683 6.942 ( 0.998 -1.153 6.456) 6.634 7.072 ( 1.176 -4.415 -11.132) 12.034 7.510 ( -5.606 -12.320 6.986) 15.232 7.766 ( -0.295 -23.987 0.179) 23.990 8.230 ( 1.021 2.678 -0.023) 2.866 8.570 ( 1.112 4.428 2.918) 5.418 9.355 ( -0.095 13.321 0.233) 13.324 9.861 ( 0.062 1.071 -0.532) 1.197 10.507 ( 1.233 -24.641 2.038) 24.755 10.820 ( 2.648 8.550 0.841) 8.990 11.050 ( -5.424 9.890 0.940) 11.318 11.320 ( 1.023 -1.249 0.646) 1.739 12.687 ( 6.954 -5.877 10.004) 13.526 12.910 ( -0.281 1.634 -2.022) 2.615 13.510 ( -2.918 3.626 -3.439) 5.787 13.760 ( -2.208 -3.263 -3.066) 4.992 15.055 ( 2.411 -2.981 7.229) 8.182 16.377 ( 2.338 9.229 -14.531) 17.372 17.744 ( 2.076 4.408 3.493) 5.995 18.302 ( -3.156 5.447 3.130) 7.030 ======================= Grid point 643 (315/320) ======================= q-point: ( 0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 3.738 -7.138 -1.632) 8.221 3.197 ( -0.076 -0.629 0.811) 1.029 3.664 ( 19.848 -17.244 -4.681) 26.706 3.912 ( -12.992 -12.812 7.325) 19.662 4.128 ( -6.695 -12.556 -0.529) 14.239 4.834 ( 4.544 -0.011 1.785) 4.882 5.159 ( -1.581 -0.692 0.065) 1.727 5.367 ( 1.814 -2.346 -2.973) 4.199 5.435 ( -2.069 -10.423 -1.715) 10.763 5.586 ( -2.091 -11.935 -0.262) 12.119 5.906 ( -2.695 -4.344 -1.547) 5.342 6.380 ( 0.034 -7.681 -2.624) 8.116 6.637 ( -0.013 -13.454 0.567) 13.466 6.941 ( -0.468 1.179 4.329) 4.511 7.122 ( 2.224 -2.430 -6.600) 7.377 7.703 ( -3.990 -11.064 4.422) 12.565 7.998 ( 1.395 3.012 0.399) 3.343 8.433 ( 2.235 -20.785 -0.838) 20.922 8.477 ( -0.409 4.209 1.975) 4.667 9.065 ( -1.190 16.544 -0.385) 16.591 9.839 ( -0.204 1.023 -0.320) 1.091 10.659 ( 2.040 11.115 1.025) 11.347 10.858 ( -0.388 2.226 -1.352) 2.633 10.997 ( -2.744 -21.165 2.481) 21.485 11.375 ( 0.720 -3.310 0.492) 3.423 12.766 ( 0.445 2.476 3.670) 4.449 12.898 ( 2.390 0.138 0.392) 2.426 13.433 ( -2.221 1.236 -2.263) 3.403 13.825 ( -0.790 -5.822 -1.219) 6.001 15.161 ( 1.430 -4.978 4.794) 7.058 16.147 ( 0.881 13.230 -7.684) 15.325 17.664 ( 0.379 5.542 1.763) 5.828 18.184 ( -0.859 6.044 0.630) 6.137 ======================= Grid point 644 (316/320) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -0.000 -9.588 0.000) 9.588 3.197 ( -0.000 0.658 0.000) 0.658 4.015 ( -0.000 -11.508 0.000) 11.508 4.144 ( -0.000 -14.281 0.000) 14.281 4.394 ( 0.000 -18.807 0.000) 18.807 4.888 ( 0.000 -3.288 0.000) 3.288 5.110 ( -0.000 4.681 0.000) 4.681 5.386 ( -0.000 1.082 0.000) 1.082 5.508 ( -0.000 -3.876 -0.000) 3.876 5.849 ( 0.000 -11.397 0.000) 11.397 5.929 ( -0.000 -2.522 0.000) 2.522 6.439 ( -0.000 2.393 0.000) 2.393 6.956 ( -0.000 -2.525 0.000) 2.525 7.020 ( -0.000 -26.021 0.000) 26.021 7.175 ( -0.000 -3.389 0.000) 3.389 7.856 ( -0.000 -3.880 0.000) 3.880 7.888 ( -0.000 7.759 0.000) 7.759 8.377 ( -0.000 0.782 -0.000) 0.782 8.744 ( 0.000 16.165 0.000) 16.165 8.842 ( -0.000 -16.061 0.000) 16.061 9.824 ( -0.000 0.251 0.000) 0.251 10.434 ( -0.000 13.624 -0.000) 13.624 10.840 ( -0.000 -1.982 0.000) 1.982 11.354 ( -0.000 -15.832 0.000) 15.832 11.441 ( -0.000 -2.886 -0.000) 2.886 12.671 ( -0.000 8.027 0.000) 8.027 12.912 ( -0.000 -0.953 0.000) 0.953 13.424 ( -0.000 -1.405 -0.000) 1.405 13.957 ( -0.000 -8.329 0.000) 8.329 15.285 ( 0.000 -6.896 -0.000) 6.896 15.875 ( -0.000 14.547 0.000) 14.547 17.570 ( -0.000 4.501 0.000) 4.501 18.067 ( -0.000 6.189 0.000) 6.189 ======================= Grid point 654 (317/320) ======================= q-point: ( 0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 8.851 -0.000 -6.420) 10.934 2.875 ( 18.074 -0.000 -9.777) 20.549 3.217 ( 0.676 -0.000 -1.162) 1.344 3.649 ( -19.563 0.000 4.106) 19.989 4.069 ( 14.531 -0.000 0.484) 14.539 4.414 ( -0.848 0.000 1.044) 1.345 4.896 ( -2.771 0.000 0.056) 2.771 5.013 ( -2.095 0.000 0.244) 2.110 5.055 ( 0.379 -0.000 2.057) 2.091 5.399 ( 3.692 -0.000 -10.662) 11.283 5.593 ( -2.415 0.000 -3.326) 4.110 6.310 ( -3.594 0.000 11.159) 11.724 6.436 ( -7.241 0.000 -1.698) 7.437 6.615 ( -6.352 0.000 -1.277) 6.479 7.030 ( 0.995 -0.000 -0.881) 1.329 7.168 ( 2.030 -0.000 0.325) 2.056 7.391 ( -2.534 0.000 -1.431) 2.910 8.363 ( 0.470 -0.000 -1.267) 1.351 8.641 ( -1.431 0.000 5.357) 5.545 9.631 ( 1.194 -0.000 0.995) 1.554 9.866 ( 2.557 -0.000 -0.823) 2.687 9.958 ( 1.490 -0.000 1.345) 2.008 10.982 ( 1.456 -0.000 -0.068) 1.458 11.232 ( -1.590 0.000 0.397) 1.638 11.491 ( -1.441 0.000 0.164) 1.451 12.441 ( 8.845 -0.000 10.692) 13.876 12.942 ( 0.037 -0.000 -1.785) 1.785 13.623 ( -5.550 0.000 -6.459) 8.516 13.683 ( 0.592 -0.000 -0.157) 0.612 15.002 ( 2.174 -0.000 6.225) 6.594 16.548 ( 2.569 -0.000 -14.716) 14.938 17.835 ( 4.213 -0.000 2.960) 5.149 18.418 ( -5.508 0.000 5.710) 7.933 ======================= Grid point 655 (318/320) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 5.172 9.502 -3.021) 11.232 3.060 ( 13.660 -7.354 -4.658) 16.198 3.234 ( 3.960 -1.635 -1.644) 4.588 3.557 ( -17.874 -5.308 3.650) 19.000 4.054 ( 4.127 7.480 1.097) 8.613 4.577 ( -0.051 -16.093 -0.493) 16.100 4.907 ( -2.793 0.053 0.821) 2.912 5.075 ( 4.232 -4.236 -0.656) 6.024 5.197 ( -1.459 -14.263 1.532) 14.419 5.418 ( 1.264 -4.422 -5.112) 6.876 5.551 ( -1.067 1.216 -2.374) 2.873 6.291 ( -2.178 1.624 4.664) 5.397 6.466 ( -2.627 -2.126 -1.737) 3.799 6.743 ( -2.138 -18.720 1.058) 18.872 7.014 ( -0.004 1.071 -2.171) 2.421 7.285 ( 0.293 -9.570 1.377) 9.673 7.433 ( -1.607 -8.191 -0.162) 8.349 8.319 ( 0.561 4.255 -0.594) 4.333 8.631 ( -0.413 1.377 2.400) 2.797 9.563 ( 0.500 7.960 0.518) 7.993 9.878 ( 0.411 0.579 -0.612) 0.938 10.122 ( 1.081 -16.060 1.087) 16.133 10.954 ( 1.132 4.012 0.107) 4.170 11.195 ( -1.851 4.819 0.221) 5.167 11.370 ( -0.009 7.585 0.266) 7.590 12.610 ( 3.890 -8.173 5.732) 10.714 12.933 ( 0.573 0.895 -0.822) 1.344 13.545 ( -2.612 2.889 -3.147) 5.007 13.700 ( -0.322 -1.480 -0.839) 1.731 15.042 ( 1.290 -1.513 3.563) 4.081 16.489 ( 1.063 4.577 -7.653) 8.981 17.840 ( 2.308 2.904 1.539) 4.017 18.366 ( -2.801 3.026 2.565) 4.855 ======================= Grid point 656 (319/320) ======================= q-point: ( 0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -0.000 2.374 0.000) 2.374 3.180 ( -0.000 -1.570 0.000) 1.570 3.453 ( -0.000 -16.234 0.000) 16.234 3.608 ( 0.000 -8.934 -0.000) 8.934 3.986 ( -0.000 -0.661 0.000) 0.661 4.873 ( 0.000 1.675 0.000) 1.675 4.972 ( -0.000 -23.031 0.000) 23.031 5.160 ( -0.000 -4.917 0.000) 4.917 5.328 ( -0.000 -2.310 0.000) 2.310 5.526 ( -0.000 0.398 -0.000) 0.398 5.693 ( -0.000 -18.081 0.000) 18.081 6.270 ( -0.000 -1.357 0.000) 1.357 6.491 ( -0.000 -3.426 0.000) 3.426 6.982 ( -0.000 1.850 -0.000) 1.850 7.032 ( -0.000 -8.606 0.000) 8.606 7.485 ( 0.000 -11.136 0.000) 11.136 7.764 ( -0.000 -25.700 0.000) 25.700 8.239 ( -0.000 2.905 0.000) 2.905 8.586 ( -0.000 3.989 0.000) 3.989 9.355 ( -0.000 14.108 -0.000) 14.108 9.860 ( -0.000 1.235 0.000) 1.235 10.523 ( -0.000 -24.542 0.000) 24.542 10.851 ( -0.000 7.537 -0.000) 7.537 11.002 ( -0.000 11.180 0.000) 11.180 11.330 ( -0.000 -1.350 0.000) 1.350 12.760 ( -0.000 -4.313 0.000) 4.313 12.916 ( -0.000 0.864 0.000) 0.864 13.468 ( -0.000 3.425 -0.000) 3.425 13.737 ( -0.000 -3.098 0.000) 3.098 15.096 ( 0.000 -3.215 -0.000) 3.215 16.353 ( -0.000 9.310 0.000) 9.310 17.773 ( -0.000 5.181 0.000) 5.181 18.283 ( -0.000 4.905 0.000) 4.905 ======================= Grid point 669 (320/320) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -0.000 0.000 0.000) 0.000 3.040 ( -0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.429 ( 0.000 -0.000 -0.000) 0.000 4.201 ( -0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.871 ( -0.000 0.000 0.000) 0.000 4.997 ( -0.000 0.000 0.000) 0.000 5.061 ( -0.000 0.000 -0.000) 0.000 5.402 ( -0.000 0.000 0.000) 0.000 5.564 ( 0.000 -0.000 0.000) 0.000 6.310 ( -0.000 0.000 0.000) 0.000 6.373 ( -0.000 0.000 -0.000) 0.000 6.563 ( -0.000 0.000 0.000) 0.000 7.031 ( -0.000 0.000 0.000) 0.000 7.188 ( -0.000 0.000 0.000) 0.000 7.365 ( -0.000 0.000 0.000) 0.000 8.364 ( -0.000 0.000 0.000) 0.000 8.643 ( -0.000 0.000 0.000) 0.000 9.643 ( -0.000 0.000 -0.000) 0.000 9.884 ( -0.000 0.000 0.000) 0.000 9.974 ( -0.000 0.000 0.000) 0.000 10.995 ( -0.000 0.000 0.000) 0.000 11.218 ( -0.000 0.000 0.000) 0.000 11.480 ( -0.000 0.000 0.000) 0.000 12.538 ( -0.000 0.000 0.000) 0.000 12.943 ( -0.000 0.000 0.000) 0.000 13.556 ( -0.000 0.000 -0.000) 0.000 13.687 ( -0.000 0.000 0.000) 0.000 15.038 ( -0.000 0.000 0.000) 0.000 16.526 ( -0.000 0.000 -0.000) 0.000 17.881 ( -0.000 0.000 0.000) 0.000 18.386 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/38016 10.0 2132.400 1156.342 1483.396 -0.000 389.051 -0.000 3/38016 20.0 697.741 300.482 379.300 -0.000 49.478 -0.000 3/38016 30.0 252.115 123.621 129.016 -0.000 11.099 -0.000 3/38016 40.0 123.417 66.670 61.874 0.000 3.272 -0.000 3/38016 50.0 72.954 42.560 36.884 0.000 1.027 -0.000 3/38016 60.0 48.711 30.260 25.140 0.000 0.280 -0.000 3/38016 70.0 35.360 23.118 18.680 0.000 0.012 -0.000 3/38016 80.0 27.243 18.566 14.716 0.000 -0.087 -0.000 3/38016 90.0 21.929 15.457 12.084 0.000 -0.122 -0.000 3/38016 100.0 18.245 13.222 10.233 0.000 -0.131 -0.000 3/38016 110.0 15.574 11.546 8.872 0.000 -0.130 -0.000 3/38016 120.0 13.567 10.250 7.836 0.000 -0.126 -0.000 3/38016 130.0 12.013 9.220 7.026 0.000 -0.121 -0.000 3/38016 140.0 10.781 8.383 6.376 0.000 -0.117 -0.000 3/38016 150.0 9.782 7.691 5.846 0.000 -0.113 -0.000 3/38016 160.0 8.958 7.108 5.404 0.000 -0.111 -0.000 3/38016 170.0 8.268 6.611 5.031 0.000 -0.109 -0.000 3/38016 180.0 7.683 6.183 4.712 0.000 -0.107 -0.000 3/38016 190.0 7.179 5.809 4.435 0.000 -0.106 -0.000 3/38016 200.0 6.741 5.480 4.193 0.000 -0.106 -0.000 3/38016 210.0 6.358 5.188 3.978 0.000 -0.105 -0.000 3/38016 220.0 6.018 4.928 3.787 0.000 -0.105 -0.000 3/38016 230.0 5.716 4.693 3.616 0.000 -0.104 -0.000 3/38016 240.0 5.444 4.481 3.461 0.000 -0.104 -0.000 3/38016 250.0 5.199 4.288 3.319 0.000 -0.103 -0.000 3/38016 260.0 4.977 4.111 3.190 0.000 -0.103 -0.000 3/38016 270.0 4.774 3.950 3.072 0.000 -0.102 -0.000 3/38016 280.0 4.588 3.801 2.962 0.000 -0.102 -0.000 3/38016 290.0 4.416 3.663 2.861 0.000 -0.101 -0.000 3/38016 300.0 4.258 3.535 2.766 0.000 -0.100 -0.000 3/38016 310.0 4.111 3.416 2.678 0.000 -0.099 -0.000 3/38016 320.0 3.975 3.305 2.596 0.000 -0.099 -0.000 3/38016 330.0 3.848 3.201 2.519 0.000 -0.098 -0.000 3/38016 340.0 3.729 3.104 2.447 0.000 -0.097 -0.000 3/38016 350.0 3.617 3.012 2.378 0.000 -0.096 -0.000 3/38016 360.0 3.512 2.926 2.314 0.000 -0.095 -0.000 3/38016 370.0 3.413 2.845 2.253 0.000 -0.094 -0.000 3/38016 380.0 3.320 2.769 2.195 0.000 -0.093 -0.000 3/38016 390.0 3.232 2.696 2.140 0.000 -0.092 -0.000 3/38016 400.0 3.149 2.627 2.088 0.000 -0.091 -0.000 3/38016 410.0 3.070 2.562 2.038 0.000 -0.090 -0.000 3/38016 420.0 2.995 2.500 1.991 0.000 -0.089 -0.000 3/38016 430.0 2.924 2.441 1.946 0.000 -0.088 -0.000 3/38016 440.0 2.856 2.384 1.903 0.000 -0.087 -0.000 3/38016 450.0 2.791 2.331 1.862 0.000 -0.085 -0.000 3/38016 460.0 2.729 2.279 1.822 0.000 -0.084 -0.000 3/38016 470.0 2.670 2.230 1.785 0.000 -0.083 -0.000 3/38016 480.0 2.613 2.183 1.748 0.000 -0.082 -0.000 3/38016 490.0 2.559 2.138 1.714 0.000 -0.081 -0.000 3/38016 500.0 2.507 2.095 1.680 0.000 -0.080 -0.000 3/38016 510.0 2.457 2.053 1.648 0.000 -0.079 -0.000 3/38016 520.0 2.409 2.013 1.617 0.000 -0.078 -0.000 3/38016 530.0 2.363 1.975 1.587 0.000 -0.077 -0.000 3/38016 540.0 2.319 1.938 1.558 0.000 -0.076 -0.000 3/38016 550.0 2.277 1.903 1.531 0.000 -0.076 -0.000 3/38016 560.0 2.235 1.868 1.504 0.000 -0.075 -0.000 3/38016 570.0 2.196 1.835 1.478 0.000 -0.074 -0.000 3/38016 580.0 2.158 1.804 1.453 0.000 -0.073 -0.000 3/38016 590.0 2.121 1.773 1.429 0.000 -0.072 -0.000 3/38016 600.0 2.085 1.743 1.406 0.000 -0.071 -0.000 3/38016 610.0 2.051 1.714 1.383 0.000 -0.070 -0.000 3/38016 620.0 2.017 1.686 1.361 0.000 -0.069 -0.000 3/38016 630.0 1.985 1.660 1.340 0.000 -0.069 -0.000 3/38016 640.0 1.954 1.633 1.320 0.000 -0.068 -0.000 3/38016 650.0 1.924 1.608 1.300 0.000 -0.067 -0.000 3/38016 660.0 1.894 1.584 1.280 0.000 -0.066 -0.000 3/38016 670.0 1.866 1.560 1.262 0.000 -0.065 -0.000 3/38016 680.0 1.838 1.537 1.243 0.000 -0.065 -0.000 3/38016 690.0 1.812 1.515 1.226 0.000 -0.064 -0.000 3/38016 700.0 1.786 1.493 1.208 0.000 -0.063 -0.000 3/38016 710.0 1.760 1.472 1.192 0.000 -0.062 -0.000 3/38016 720.0 1.736 1.451 1.175 0.000 -0.062 -0.000 3/38016 730.0 1.712 1.431 1.160 0.000 -0.061 -0.000 3/38016 740.0 1.689 1.412 1.144 0.000 -0.060 -0.000 3/38016 750.0 1.666 1.393 1.129 0.000 -0.060 -0.000 3/38016 760.0 1.644 1.375 1.114 0.000 -0.059 -0.000 3/38016 770.0 1.623 1.357 1.100 0.000 -0.058 -0.000 3/38016 780.0 1.602 1.339 1.086 0.000 -0.058 -0.000 3/38016 790.0 1.581 1.322 1.073 0.000 -0.057 -0.000 3/38016 800.0 1.562 1.306 1.059 0.000 -0.057 -0.000 3/38016 810.0 1.542 1.289 1.047 0.000 -0.056 -0.000 3/38016 820.0 1.523 1.274 1.034 0.000 -0.056 -0.000 3/38016 830.0 1.505 1.258 1.022 0.000 -0.055 -0.000 3/38016 840.0 1.487 1.243 1.010 0.000 -0.054 -0.000 3/38016 850.0 1.469 1.229 0.998 0.000 -0.054 -0.000 3/38016 860.0 1.452 1.214 0.986 0.000 -0.053 -0.000 3/38016 870.0 1.436 1.200 0.975 0.000 -0.053 -0.000 3/38016 880.0 1.419 1.187 0.964 0.000 -0.052 -0.000 3/38016 890.0 1.403 1.173 0.954 0.000 -0.052 -0.000 3/38016 900.0 1.388 1.160 0.943 0.000 -0.051 -0.000 3/38016 910.0 1.372 1.147 0.933 0.000 -0.051 -0.000 3/38016 920.0 1.357 1.135 0.923 0.000 -0.050 -0.000 3/38016 930.0 1.343 1.123 0.913 0.000 -0.050 -0.000 3/38016 940.0 1.328 1.111 0.903 0.000 -0.049 -0.000 3/38016 950.0 1.314 1.099 0.894 0.000 -0.049 -0.000 3/38016 960.0 1.301 1.088 0.885 0.000 -0.048 -0.000 3/38016 970.0 1.287 1.076 0.876 0.000 -0.048 -0.000 3/38016 980.0 1.274 1.065 0.867 0.000 -0.048 -0.000 3/38016 990.0 1.261 1.055 0.858 0.000 -0.047 -0.000 3/38016 1000.0 1.249 1.044 0.850 0.000 -0.047 -0.000 3/38016 Thermal conductivity related properties were written into "kappa-m12128.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:21:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|